USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 669 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 67 MET CE :methyl 161:sc= -0.138 (180deg=-1.03) USER MOD Set 1.2: A 90 SER OG : rot -160:sc= 0 USER MOD Set 2.1: A 79 LYS NZ :NH3+ 169:sc= 1.23 (180deg=0) USER MOD Set 2.2: A 81 THR OG1 : rot -100:sc= 0.783 USER MOD Set 2.3: A 94 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 38 TYR OH : rot 180:sc= 0.224 USER MOD Set 3.2: A 47 LYS NZ :NH3+ 170:sc= 0.337 (180deg=0.0206) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.471 USER MOD Single : A 45 TYR OH : rot 15:sc= 0 USER MOD Single : A 53 MET CE :methyl -176:sc= 0 (180deg=-0.019) USER MOD Single : A 58 GLN : amide:sc=-0.00747 X(o=-0.0075,f=-0.37) USER MOD Single : A 65 MET CE :methyl -160:sc= -0.173 (180deg=-0.718) USER MOD Single : A 70 SER OG : rot -85:sc= 1.79 USER MOD Single : A 72 GLN : amide:sc= -0.241 K(o=-0.24,f=-1.2) USER MOD Single : A 83 THR OG1 : rot -63:sc= 1.06 USER MOD Single : A 85 TYR OH : rot 104:sc= 0.00915 USER MOD Single : A 95 TYR OH : rot -156:sc= 0.401 USER MOD Single : A 107 GLN : amide:sc= -1.05 K(o=-1.1,f=-5.4!) USER MOD Single : A 112 GLN : amide:sc= 0.414 K(o=0.41,f=-0.33) USER MOD Single : A 117 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00752) USER MOD Single : A 119 ASN :FLIP amide:sc= -0.137 F(o=-0.81,f=-0.14) USER MOD Single : A 120 HIS : no HE2:sc= -0.46 K(o=-0.46,f=-8.5!) USER MOD Single : A 124 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.216) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 100 N LEU A 36 2.061 -12.601 0.260 1.00 0.00 N ATOM 101 CA LEU A 36 1.648 -11.285 0.676 1.00 0.00 C ATOM 102 C LEU A 36 1.611 -10.393 -0.551 1.00 0.00 C ATOM 103 O LEU A 36 2.255 -10.655 -1.570 1.00 0.00 O ATOM 104 CB LEU A 36 2.631 -10.707 1.708 1.00 0.00 C ATOM 105 CG LEU A 36 2.445 -11.286 3.111 1.00 0.00 C ATOM 106 CD1 LEU A 36 3.447 -10.625 4.053 1.00 0.00 C ATOM 107 CD2 LEU A 36 1.071 -11.144 3.775 1.00 0.00 C ATOM 0 HA LEU A 36 0.664 -11.340 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.651 -10.899 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.508 -9.625 1.750 1.00 0.00 H new ATOM 0 HG LEU A 36 2.585 -12.355 2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.324 -11.030 5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.460 -10.823 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.274 -9.549 4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.096 -11.602 4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.821 -10.087 3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.318 -11.641 3.163 1.00 0.00 H new ATOM 119 N PHE A 37 0.881 -9.313 -0.328 1.00 0.00 N ATOM 120 CA PHE A 37 0.280 -8.307 -1.184 1.00 0.00 C ATOM 121 C PHE A 37 -1.202 -8.684 -1.316 1.00 0.00 C ATOM 122 O PHE A 37 -1.550 -9.867 -1.365 1.00 0.00 O ATOM 123 CB PHE A 37 0.994 -8.251 -2.522 1.00 0.00 C ATOM 124 CG PHE A 37 0.736 -7.045 -3.402 1.00 0.00 C ATOM 125 CD1 PHE A 37 -0.493 -6.870 -4.067 1.00 0.00 C ATOM 126 CD2 PHE A 37 1.781 -6.127 -3.627 1.00 0.00 C ATOM 127 CE1 PHE A 37 -0.676 -5.777 -4.931 1.00 0.00 C ATOM 128 CE2 PHE A 37 1.611 -5.073 -4.534 1.00 0.00 C ATOM 129 CZ PHE A 37 0.381 -4.891 -5.186 1.00 0.00 C ATOM 0 H PHE A 37 0.659 -9.086 0.641 1.00 0.00 H new ATOM 0 HA PHE A 37 0.370 -7.305 -0.764 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.066 -8.307 -2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.722 -9.143 -3.086 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.295 -7.576 -3.913 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.716 -6.236 -3.098 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.635 -5.618 -5.401 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.430 -4.397 -4.733 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.250 -4.074 -5.880 1.00 0.00 H new ATOM 139 N TYR A 38 -2.075 -7.685 -1.308 1.00 0.00 N ATOM 140 CA TYR A 38 -3.528 -7.779 -1.385 1.00 0.00 C ATOM 141 C TYR A 38 -3.990 -6.604 -2.260 1.00 0.00 C ATOM 142 O TYR A 38 -3.171 -5.749 -2.614 1.00 0.00 O ATOM 143 CB TYR A 38 -4.149 -7.678 0.026 1.00 0.00 C ATOM 144 CG TYR A 38 -3.739 -8.704 1.084 1.00 0.00 C ATOM 145 CD1 TYR A 38 -2.429 -8.712 1.611 1.00 0.00 C ATOM 146 CD2 TYR A 38 -4.684 -9.619 1.594 1.00 0.00 C ATOM 147 CE1 TYR A 38 -2.027 -9.688 2.545 1.00 0.00 C ATOM 148 CE2 TYR A 38 -4.327 -10.495 2.631 1.00 0.00 C ATOM 149 CZ TYR A 38 -2.993 -10.563 3.086 1.00 0.00 C ATOM 150 OH TYR A 38 -2.615 -11.519 3.981 1.00 0.00 O ATOM 0 H TYR A 38 -1.763 -6.716 -1.243 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.841 -8.733 -1.808 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.918 -6.688 0.419 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.232 -7.732 -0.085 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.724 -7.958 1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.684 -9.645 1.186 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.992 -9.765 2.843 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.080 -11.122 3.085 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.400 -12.037 4.257 1.00 0.00 H new ATOM 160 N THR A 39 -5.279 -6.506 -2.579 1.00 0.00 N ATOM 161 CA THR A 39 -5.832 -5.380 -3.333 1.00 0.00 C ATOM 162 C THR A 39 -7.218 -4.987 -2.769 1.00 0.00 C ATOM 163 O THR A 39 -7.673 -5.650 -1.828 1.00 0.00 O ATOM 164 CB THR A 39 -5.758 -5.710 -4.851 1.00 0.00 C ATOM 165 OG1 THR A 39 -6.133 -7.031 -5.143 1.00 0.00 O ATOM 166 CG2 THR A 39 -4.349 -5.620 -5.437 1.00 0.00 C ATOM 0 H THR A 39 -5.973 -7.208 -2.321 1.00 0.00 H new ATOM 0 HA THR A 39 -5.244 -4.470 -3.213 1.00 0.00 H new ATOM 0 HB THR A 39 -6.431 -4.967 -5.278 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.070 -7.183 -6.109 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.380 -5.864 -6.499 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.965 -4.608 -5.308 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.695 -6.324 -4.922 1.00 0.00 H new ATOM 174 N PRO A 40 -7.851 -3.865 -3.177 1.00 0.00 N ATOM 175 CA PRO A 40 -9.012 -3.284 -2.484 1.00 0.00 C ATOM 176 C PRO A 40 -10.296 -4.116 -2.410 1.00 0.00 C ATOM 177 O PRO A 40 -11.210 -3.697 -1.711 1.00 0.00 O ATOM 178 CB PRO A 40 -9.290 -1.924 -3.133 1.00 0.00 C ATOM 179 CG PRO A 40 -8.453 -1.922 -4.396 1.00 0.00 C ATOM 180 CD PRO A 40 -7.297 -2.831 -4.036 1.00 0.00 C ATOM 0 HA PRO A 40 -8.726 -3.221 -1.434 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.349 -1.803 -3.360 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.010 -1.105 -2.471 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.012 -2.299 -5.252 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.113 -0.919 -4.654 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.849 -3.265 -4.930 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.511 -2.277 -3.523 1.00 0.00 H new ATOM 188 N GLY A 41 -10.387 -5.273 -3.059 1.00 0.00 N ATOM 189 CA GLY A 41 -11.439 -6.247 -2.791 1.00 0.00 C ATOM 190 C GLY A 41 -10.950 -7.299 -1.800 1.00 0.00 C ATOM 191 O GLY A 41 -11.690 -7.765 -0.938 1.00 0.00 O ATOM 0 H GLY A 41 -9.733 -5.562 -3.786 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.318 -5.742 -2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.744 -6.728 -3.721 1.00 0.00 H new ATOM 195 N GLU A 42 -9.674 -7.670 -1.866 1.00 0.00 N ATOM 196 CA GLU A 42 -9.213 -8.943 -1.329 1.00 0.00 C ATOM 197 C GLU A 42 -8.917 -8.841 0.178 1.00 0.00 C ATOM 198 O GLU A 42 -8.603 -9.829 0.839 1.00 0.00 O ATOM 199 CB GLU A 42 -7.994 -9.444 -2.125 1.00 0.00 C ATOM 200 CG GLU A 42 -7.873 -8.982 -3.584 1.00 0.00 C ATOM 201 CD GLU A 42 -9.076 -9.196 -4.513 1.00 0.00 C ATOM 202 OE1 GLU A 42 -9.986 -9.988 -4.193 1.00 0.00 O ATOM 203 OE2 GLU A 42 -9.108 -8.523 -5.569 1.00 0.00 O ATOM 0 H GLU A 42 -8.939 -7.103 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.010 -9.678 -1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.093 -9.133 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.009 -10.534 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.642 -7.917 -3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.016 -9.492 -4.025 1.00 0.00 H new ATOM 210 N ILE A 43 -9.001 -7.633 0.740 1.00 0.00 N ATOM 211 CA ILE A 43 -8.916 -7.381 2.175 1.00 0.00 C ATOM 212 C ILE A 43 -10.304 -7.488 2.831 1.00 0.00 C ATOM 213 O ILE A 43 -10.381 -7.686 4.039 1.00 0.00 O ATOM 214 CB ILE A 43 -8.177 -6.032 2.397 1.00 0.00 C ATOM 215 CG1 ILE A 43 -6.695 -6.244 1.974 1.00 0.00 C ATOM 216 CG2 ILE A 43 -8.328 -5.472 3.827 1.00 0.00 C ATOM 217 CD1 ILE A 43 -5.683 -5.284 2.603 1.00 0.00 C ATOM 0 H ILE A 43 -9.134 -6.783 0.193 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.325 -8.145 2.680 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.634 -5.259 1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.406 -7.264 2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.629 -6.153 0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.786 -4.530 3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.383 -5.304 4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.921 -6.187 4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.683 -5.521 2.240 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.935 -4.259 2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.709 -5.387 3.688 1.00 0.00 H new ATOM 229 N LEU A 44 -11.395 -7.414 2.064 1.00 0.00 N ATOM 230 CA LEU A 44 -12.761 -7.406 2.583 1.00 0.00 C ATOM 231 C LEU A 44 -13.428 -8.716 2.191 1.00 0.00 C ATOM 232 O LEU A 44 -13.947 -9.437 3.043 1.00 0.00 O ATOM 233 CB LEU A 44 -13.590 -6.166 2.144 1.00 0.00 C ATOM 234 CG LEU A 44 -13.108 -5.290 0.961 1.00 0.00 C ATOM 235 CD1 LEU A 44 -14.125 -4.201 0.609 1.00 0.00 C ATOM 236 CD2 LEU A 44 -11.774 -4.578 1.244 1.00 0.00 C ATOM 0 H LEU A 44 -11.350 -7.357 1.047 1.00 0.00 H new ATOM 0 HA LEU A 44 -12.716 -7.322 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -14.593 -6.517 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.683 -5.514 3.013 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.983 -5.990 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.750 -3.609 -0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -15.071 -4.664 0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.279 -3.554 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.490 -3.980 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.885 -3.929 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.001 -5.320 1.443 1.00 0.00 H new ATOM 248 N TYR A 45 -13.394 -9.046 0.904 1.00 0.00 N ATOM 249 CA TYR A 45 -14.154 -10.144 0.328 1.00 0.00 C ATOM 250 C TYR A 45 -13.465 -11.488 0.577 1.00 0.00 C ATOM 251 O TYR A 45 -14.138 -12.496 0.814 1.00 0.00 O ATOM 252 CB TYR A 45 -14.385 -9.819 -1.161 1.00 0.00 C ATOM 253 CG TYR A 45 -14.974 -8.433 -1.420 1.00 0.00 C ATOM 254 CD1 TYR A 45 -15.781 -7.799 -0.449 1.00 0.00 C ATOM 255 CD2 TYR A 45 -14.674 -7.742 -2.612 1.00 0.00 C ATOM 256 CE1 TYR A 45 -16.287 -6.510 -0.665 1.00 0.00 C ATOM 257 CE2 TYR A 45 -15.158 -6.442 -2.820 1.00 0.00 C ATOM 258 CZ TYR A 45 -15.957 -5.812 -1.844 1.00 0.00 C ATOM 259 OH TYR A 45 -16.386 -4.538 -2.039 1.00 0.00 O ATOM 0 H TYR A 45 -12.825 -8.546 0.221 1.00 0.00 H new ATOM 0 HA TYR A 45 -15.126 -10.248 0.809 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.436 -9.902 -1.690 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -15.053 -10.569 -1.585 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -16.011 -8.314 0.472 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -14.068 -8.217 -3.369 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -16.930 -6.052 0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -14.917 -5.920 -3.734 1.00 0.00 H new ATOM 0 HH TYR A 45 -16.702 -4.166 -1.189 1.00 0.00 H new ATOM 269 N GLY A 46 -12.135 -11.495 0.621 1.00 0.00 N ATOM 270 CA GLY A 46 -11.298 -12.667 0.833 1.00 0.00 C ATOM 271 C GLY A 46 -10.050 -12.511 -0.021 1.00 0.00 C ATOM 272 O GLY A 46 -10.128 -11.982 -1.128 1.00 0.00 O ATOM 0 H GLY A 46 -11.588 -10.642 0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.031 -12.760 1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.836 -13.575 0.560 1.00 0.00 H new ATOM 276 N LYS A 47 -8.882 -12.923 0.478 1.00 0.00 N ATOM 277 CA LYS A 47 -7.648 -12.710 -0.272 1.00 0.00 C ATOM 278 C LYS A 47 -7.675 -13.538 -1.534 1.00 0.00 C ATOM 279 O LYS A 47 -8.068 -14.700 -1.440 1.00 0.00 O ATOM 280 CB LYS A 47 -6.479 -13.130 0.576 1.00 0.00 C ATOM 281 CG LYS A 47 -5.128 -12.894 -0.102 1.00 0.00 C ATOM 282 CD LYS A 47 -4.082 -13.283 0.924 1.00 0.00 C ATOM 283 CE LYS A 47 -2.656 -12.884 0.582 1.00 0.00 C ATOM 284 NZ LYS A 47 -1.694 -13.341 1.612 1.00 0.00 N ATOM 0 H LYS A 47 -8.767 -13.394 1.375 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.555 -11.656 -0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.506 -12.582 1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.576 -14.188 0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.033 -13.496 -1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.016 -11.851 -0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.349 -12.831 1.880 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.116 -14.364 1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.382 -13.307 -0.384 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.596 -11.800 0.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.723 -13.202 1.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.833 -12.792 2.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.850 -14.350 1.809 1.00 0.00 H new ATOM 385 N MET A 53 -7.313 -14.302 5.337 1.00 0.00 N ATOM 386 CA MET A 53 -7.464 -12.857 5.462 1.00 0.00 C ATOM 387 C MET A 53 -6.146 -12.272 5.989 1.00 0.00 C ATOM 388 O MET A 53 -5.287 -13.025 6.454 1.00 0.00 O ATOM 389 CB MET A 53 -8.684 -12.541 6.348 1.00 0.00 C ATOM 390 CG MET A 53 -9.968 -13.013 5.648 1.00 0.00 C ATOM 391 SD MET A 53 -11.462 -12.026 5.953 1.00 0.00 S ATOM 392 CE MET A 53 -11.333 -10.740 4.666 1.00 0.00 C ATOM 0 HA MET A 53 -7.661 -12.388 4.498 1.00 0.00 H new ATOM 0 HB2 MET A 53 -8.582 -13.036 7.314 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.737 -11.470 6.542 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.784 -13.032 4.574 1.00 0.00 H new ATOM 0 HG3 MET A 53 -10.168 -14.039 5.956 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.147 -10.025 4.783 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.379 -10.222 4.763 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.396 -11.203 3.681 1.00 0.00 H new ATOM 402 N PRO A 54 -5.918 -10.953 5.886 1.00 0.00 N ATOM 403 CA PRO A 54 -4.826 -10.317 6.606 1.00 0.00 C ATOM 404 C PRO A 54 -5.117 -10.320 8.114 1.00 0.00 C ATOM 405 O PRO A 54 -6.270 -10.345 8.549 1.00 0.00 O ATOM 406 CB PRO A 54 -4.742 -8.898 6.038 1.00 0.00 C ATOM 407 CG PRO A 54 -6.174 -8.606 5.591 1.00 0.00 C ATOM 408 CD PRO A 54 -6.719 -9.965 5.175 1.00 0.00 C ATOM 0 HA PRO A 54 -3.877 -10.840 6.482 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.403 -8.185 6.789 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.042 -8.840 5.205 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.763 -8.171 6.399 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.196 -7.897 4.763 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.774 -10.058 5.434 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.642 -10.103 4.097 1.00 0.00 H new ATOM 416 N GLU A 55 -4.067 -10.255 8.924 1.00 0.00 N ATOM 417 CA GLU A 55 -4.155 -9.976 10.345 1.00 0.00 C ATOM 418 C GLU A 55 -4.272 -8.469 10.533 1.00 0.00 C ATOM 419 O GLU A 55 -3.459 -7.700 10.021 1.00 0.00 O ATOM 420 CB GLU A 55 -2.921 -10.538 11.058 1.00 0.00 C ATOM 421 CG GLU A 55 -2.976 -12.059 11.225 1.00 0.00 C ATOM 422 CD GLU A 55 -1.621 -12.678 11.582 1.00 0.00 C ATOM 423 OE1 GLU A 55 -0.571 -11.999 11.596 1.00 0.00 O ATOM 424 OE2 GLU A 55 -1.589 -13.893 11.882 1.00 0.00 O ATOM 0 H GLU A 55 -3.111 -10.399 8.600 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.033 -10.454 10.779 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.027 -10.271 10.494 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.830 -10.072 12.039 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.697 -12.306 12.004 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.340 -12.506 10.300 1.00 0.00 H new ATOM 431 N VAL A 56 -5.241 -8.045 11.337 1.00 0.00 N ATOM 432 CA VAL A 56 -5.452 -6.664 11.782 1.00 0.00 C ATOM 433 C VAL A 56 -4.300 -6.149 12.681 1.00 0.00 C ATOM 434 O VAL A 56 -4.328 -5.068 13.255 1.00 0.00 O ATOM 435 CB VAL A 56 -6.860 -6.562 12.408 1.00 0.00 C ATOM 436 CG1 VAL A 56 -7.229 -5.102 12.648 1.00 0.00 C ATOM 437 CG2 VAL A 56 -7.956 -7.154 11.501 1.00 0.00 C ATOM 0 H VAL A 56 -5.938 -8.685 11.718 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.422 -5.985 10.930 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.814 -7.127 13.339 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.224 -5.046 13.090 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.505 -4.651 13.326 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.222 -4.564 11.700 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.925 -7.056 11.990 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.972 -6.618 10.552 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.747 -8.208 11.318 1.00 0.00 H new ATOM 447 N GLY A 57 -3.300 -6.981 12.898 1.00 0.00 N ATOM 448 CA GLY A 57 -2.089 -6.683 13.632 1.00 0.00 C ATOM 449 C GLY A 57 -0.819 -7.057 12.880 1.00 0.00 C ATOM 450 O GLY A 57 0.162 -7.351 13.569 1.00 0.00 O ATOM 0 H GLY A 57 -3.314 -7.938 12.546 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.066 -5.618 13.863 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.109 -7.215 14.583 1.00 0.00 H new ATOM 454 N GLN A 58 -0.815 -7.114 11.536 1.00 0.00 N ATOM 455 CA GLN A 58 0.409 -7.446 10.799 1.00 0.00 C ATOM 456 C GLN A 58 0.775 -6.397 9.756 1.00 0.00 C ATOM 457 O GLN A 58 -0.029 -5.529 9.410 1.00 0.00 O ATOM 458 CB GLN A 58 0.331 -8.839 10.142 1.00 0.00 C ATOM 459 CG GLN A 58 -0.517 -8.879 8.858 1.00 0.00 C ATOM 460 CD GLN A 58 -0.231 -10.066 7.961 1.00 0.00 C ATOM 461 OE1 GLN A 58 0.482 -11.002 8.312 1.00 0.00 O ATOM 462 NE2 GLN A 58 -0.635 -9.955 6.708 1.00 0.00 N ATOM 0 H GLN A 58 -1.631 -6.937 10.951 1.00 0.00 H new ATOM 0 HA GLN A 58 1.202 -7.460 11.547 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.341 -9.176 9.909 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.083 -9.546 10.861 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.572 -8.892 9.133 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.345 -7.962 8.294 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.227 -9.172 6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.355 -10.652 6.018 1.00 0.00 H new ATOM 471 N ARG A 59 1.941 -6.612 9.134 1.00 0.00 N ATOM 472 CA ARG A 59 2.395 -5.929 7.943 1.00 0.00 C ATOM 473 C ARG A 59 1.888 -6.575 6.673 1.00 0.00 C ATOM 474 O ARG A 59 1.831 -7.803 6.558 1.00 0.00 O ATOM 475 CB ARG A 59 3.918 -5.711 7.946 1.00 0.00 C ATOM 476 CG ARG A 59 4.819 -6.896 7.547 1.00 0.00 C ATOM 477 CD ARG A 59 5.158 -7.898 8.656 1.00 0.00 C ATOM 478 NE ARG A 59 6.383 -8.667 8.329 1.00 0.00 N ATOM 479 CZ ARG A 59 6.526 -9.738 7.534 1.00 0.00 C ATOM 480 NH1 ARG A 59 5.482 -10.334 6.982 1.00 0.00 N ATOM 481 NH2 ARG A 59 7.722 -10.240 7.248 1.00 0.00 N ATOM 0 H ARG A 59 2.614 -7.300 9.472 1.00 0.00 H new ATOM 0 HA ARG A 59 1.948 -4.935 7.962 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.138 -4.883 7.273 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.208 -5.393 8.948 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.333 -7.437 6.735 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.752 -6.497 7.150 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.299 -7.368 9.598 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.322 -8.583 8.798 1.00 0.00 H new ATOM 0 HE ARG A 59 7.239 -8.334 8.772 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.541 -9.981 7.157 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.618 -11.147 6.381 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.562 -9.810 7.636 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.801 -11.055 6.640 1.00 0.00 H new ATOM 495 N LEU A 60 1.510 -5.746 5.709 1.00 0.00 N ATOM 496 CA LEU A 60 0.992 -6.122 4.410 1.00 0.00 C ATOM 497 C LEU A 60 1.118 -4.962 3.439 1.00 0.00 C ATOM 498 O LEU A 60 1.400 -3.835 3.834 1.00 0.00 O ATOM 499 CB LEU A 60 -0.498 -6.501 4.499 1.00 0.00 C ATOM 500 CG LEU A 60 -1.273 -5.419 5.278 1.00 0.00 C ATOM 501 CD1 LEU A 60 -2.473 -4.879 4.540 1.00 0.00 C ATOM 502 CD2 LEU A 60 -1.655 -6.031 6.602 1.00 0.00 C ATOM 0 H LEU A 60 1.562 -4.734 5.825 1.00 0.00 H new ATOM 0 HA LEU A 60 1.572 -6.978 4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.915 -6.608 3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.607 -7.466 4.995 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.636 -4.545 5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.966 -4.123 5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.151 -4.432 3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.170 -5.691 4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.208 -5.302 7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.279 -6.908 6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.754 -6.326 7.140 1.00 0.00 H new ATOM 514 N ARG A 61 0.837 -5.249 2.172 1.00 0.00 N ATOM 515 CA ARG A 61 0.877 -4.321 1.065 1.00 0.00 C ATOM 516 C ARG A 61 -0.431 -4.423 0.313 1.00 0.00 C ATOM 517 O ARG A 61 -1.004 -5.508 0.208 1.00 0.00 O ATOM 518 CB ARG A 61 2.114 -4.525 0.160 1.00 0.00 C ATOM 519 CG ARG A 61 2.993 -5.748 0.408 1.00 0.00 C ATOM 520 CD ARG A 61 4.402 -5.636 -0.163 1.00 0.00 C ATOM 521 NE ARG A 61 5.156 -6.851 0.176 1.00 0.00 N ATOM 522 CZ ARG A 61 5.733 -7.695 -0.679 1.00 0.00 C ATOM 523 NH1 ARG A 61 5.956 -7.342 -1.937 1.00 0.00 N ATOM 524 NH2 ARG A 61 6.068 -8.912 -0.261 1.00 0.00 N ATOM 0 H ARG A 61 0.561 -6.187 1.883 1.00 0.00 H new ATOM 0 HA ARG A 61 0.989 -3.306 1.447 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.768 -4.567 -0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.743 -3.639 0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.062 -5.919 1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.507 -6.623 -0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.360 -5.509 -1.245 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.903 -4.757 0.242 1.00 0.00 H new ATOM 0 HE ARG A 61 5.247 -7.071 1.168 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.685 -6.414 -2.262 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.399 -7.998 -2.580 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.883 -9.189 0.703 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.510 -9.568 -0.904 1.00 0.00 H new ATOM 538 N VAL A 62 -0.882 -3.297 -0.212 1.00 0.00 N ATOM 539 CA VAL A 62 -2.066 -3.160 -1.032 1.00 0.00 C ATOM 540 C VAL A 62 -1.597 -2.524 -2.324 1.00 0.00 C ATOM 541 O VAL A 62 -0.812 -1.580 -2.274 1.00 0.00 O ATOM 542 CB VAL A 62 -3.130 -2.330 -0.297 1.00 0.00 C ATOM 543 CG1 VAL A 62 -4.315 -2.008 -1.212 1.00 0.00 C ATOM 544 CG2 VAL A 62 -3.627 -3.123 0.915 1.00 0.00 C ATOM 0 H VAL A 62 -0.404 -2.408 -0.068 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.547 -4.115 -1.244 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.679 -1.389 0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.050 -1.420 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.965 -1.439 -2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.774 -2.936 -1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.383 -2.543 1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.061 -4.065 0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.791 -3.326 1.584 1.00 0.00 H new ATOM 554 N GLY A 63 -1.997 -3.046 -3.476 1.00 0.00 N ATOM 555 CA GLY A 63 -2.018 -2.259 -4.697 1.00 0.00 C ATOM 556 C GLY A 63 -3.443 -1.763 -4.881 1.00 0.00 C ATOM 557 O GLY A 63 -4.378 -2.404 -4.407 1.00 0.00 O ATOM 0 H GLY A 63 -2.311 -4.010 -3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.324 -1.421 -4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.706 -2.862 -5.550 1.00 0.00 H new ATOM 561 N GLY A 64 -3.630 -0.638 -5.557 1.00 0.00 N ATOM 562 CA GLY A 64 -4.959 -0.118 -5.872 1.00 0.00 C ATOM 563 C GLY A 64 -4.838 1.104 -6.766 1.00 0.00 C ATOM 564 O GLY A 64 -3.717 1.491 -7.108 1.00 0.00 O ATOM 0 H GLY A 64 -2.866 -0.058 -5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.551 -0.886 -6.370 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.484 0.143 -4.953 1.00 0.00 H new ATOM 568 N MET A 65 -5.950 1.764 -7.088 1.00 0.00 N ATOM 569 CA MET A 65 -6.029 2.992 -7.877 1.00 0.00 C ATOM 570 C MET A 65 -6.651 4.105 -7.024 1.00 0.00 C ATOM 571 O MET A 65 -7.688 3.873 -6.411 1.00 0.00 O ATOM 572 CB MET A 65 -6.815 2.712 -9.164 1.00 0.00 C ATOM 573 CG MET A 65 -6.453 3.729 -10.253 1.00 0.00 C ATOM 574 SD MET A 65 -6.931 3.289 -11.948 1.00 0.00 S ATOM 575 CE MET A 65 -6.055 1.708 -12.163 1.00 0.00 C ATOM 0 H MET A 65 -6.869 1.438 -6.789 1.00 0.00 H new ATOM 0 HA MET A 65 -5.037 3.333 -8.172 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.599 1.703 -9.516 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.885 2.756 -8.959 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.919 4.682 -10.001 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.375 3.886 -10.231 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.951 1.492 -13.226 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.067 1.775 -11.708 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.622 0.910 -11.684 1.00 0.00 H new ATOM 585 N VAL A 66 -5.990 5.261 -6.873 1.00 0.00 N ATOM 586 CA VAL A 66 -6.389 6.298 -5.917 1.00 0.00 C ATOM 587 C VAL A 66 -7.743 6.860 -6.342 1.00 0.00 C ATOM 588 O VAL A 66 -7.873 7.348 -7.468 1.00 0.00 O ATOM 589 CB VAL A 66 -5.347 7.435 -5.878 1.00 0.00 C ATOM 590 CG1 VAL A 66 -5.706 8.521 -4.855 1.00 0.00 C ATOM 591 CG2 VAL A 66 -3.943 6.929 -5.561 1.00 0.00 C ATOM 0 H VAL A 66 -5.160 5.502 -7.414 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.456 5.860 -4.921 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.360 7.861 -6.881 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.942 9.298 -4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.671 8.958 -5.111 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.760 8.080 -3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.248 7.769 -5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.944 6.441 -4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.633 6.215 -6.324 1.00 0.00 H new ATOM 601 N MET A 67 -8.727 6.823 -5.445 1.00 0.00 N ATOM 602 CA MET A 67 -10.028 7.437 -5.633 1.00 0.00 C ATOM 603 C MET A 67 -9.843 8.950 -5.849 1.00 0.00 C ATOM 604 O MET A 67 -9.172 9.607 -5.044 1.00 0.00 O ATOM 605 CB MET A 67 -10.901 7.088 -4.418 1.00 0.00 C ATOM 606 CG MET A 67 -12.315 6.731 -4.847 1.00 0.00 C ATOM 607 SD MET A 67 -13.442 6.418 -3.468 1.00 0.00 S ATOM 608 CE MET A 67 -13.221 4.631 -3.319 1.00 0.00 C ATOM 0 H MET A 67 -8.633 6.351 -4.546 1.00 0.00 H new ATOM 0 HA MET A 67 -10.538 7.059 -6.519 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.459 6.251 -3.877 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.928 7.933 -3.731 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.716 7.543 -5.454 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.279 5.846 -5.482 1.00 0.00 H new ATOM 0 HE1 MET A 67 -13.558 4.303 -2.336 1.00 0.00 H new ATOM 0 HE2 MET A 67 -13.805 4.127 -4.089 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.167 4.383 -3.442 1.00 0.00 H new ATOM 618 N PRO A 68 -10.354 9.502 -6.960 1.00 0.00 N ATOM 619 CA PRO A 68 -10.064 10.857 -7.403 1.00 0.00 C ATOM 620 C PRO A 68 -10.738 11.874 -6.483 1.00 0.00 C ATOM 621 O PRO A 68 -11.968 11.972 -6.456 1.00 0.00 O ATOM 622 CB PRO A 68 -10.575 10.926 -8.844 1.00 0.00 C ATOM 623 CG PRO A 68 -11.670 9.863 -8.902 1.00 0.00 C ATOM 624 CD PRO A 68 -11.208 8.817 -7.914 1.00 0.00 C ATOM 0 HA PRO A 68 -9.002 11.098 -7.365 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.967 11.915 -9.081 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -9.779 10.718 -9.560 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.641 10.273 -8.626 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.773 9.449 -9.905 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.058 8.355 -7.412 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.664 8.019 -8.419 1.00 0.00 H new ATOM 632 N GLY A 69 -9.948 12.630 -5.724 1.00 0.00 N ATOM 633 CA GLY A 69 -10.428 13.583 -4.739 1.00 0.00 C ATOM 634 C GLY A 69 -10.275 13.060 -3.314 1.00 0.00 C ATOM 635 O GLY A 69 -10.366 13.854 -2.380 1.00 0.00 O ATOM 0 H GLY A 69 -8.930 12.592 -5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.879 14.519 -4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.477 13.806 -4.932 1.00 0.00 H new ATOM 639 N SER A 70 -10.038 11.759 -3.105 1.00 0.00 N ATOM 640 CA SER A 70 -10.012 11.218 -1.749 1.00 0.00 C ATOM 641 C SER A 70 -8.836 11.739 -0.924 1.00 0.00 C ATOM 642 O SER A 70 -8.928 11.754 0.305 1.00 0.00 O ATOM 643 CB SER A 70 -10.021 9.689 -1.761 1.00 0.00 C ATOM 644 OG SER A 70 -8.892 9.150 -2.432 1.00 0.00 O ATOM 0 H SER A 70 -9.865 11.077 -3.844 1.00 0.00 H new ATOM 0 HA SER A 70 -10.923 11.570 -1.265 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.042 9.320 -0.736 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.932 9.337 -2.246 1.00 0.00 H new ATOM 0 HG SER A 70 -9.074 9.104 -3.394 1.00 0.00 H new ATOM 650 N VAL A 71 -7.735 12.132 -1.578 1.00 0.00 N ATOM 651 CA VAL A 71 -6.530 12.599 -0.926 1.00 0.00 C ATOM 652 C VAL A 71 -6.827 13.859 -0.109 1.00 0.00 C ATOM 653 O VAL A 71 -7.023 14.932 -0.678 1.00 0.00 O ATOM 654 CB VAL A 71 -5.407 12.825 -1.957 1.00 0.00 C ATOM 655 CG1 VAL A 71 -4.095 13.050 -1.201 1.00 0.00 C ATOM 656 CG2 VAL A 71 -5.215 11.639 -2.915 1.00 0.00 C ATOM 0 H VAL A 71 -7.668 12.130 -2.596 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.178 11.834 -0.234 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.690 13.688 -2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.287 13.212 -1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.191 13.924 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.871 12.174 -0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.410 11.863 -3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.961 10.747 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.138 11.465 -3.468 1.00 0.00 H new ATOM 666 N GLN A 72 -6.819 13.724 1.218 1.00 0.00 N ATOM 667 CA GLN A 72 -6.831 14.801 2.185 1.00 0.00 C ATOM 668 C GLN A 72 -5.626 15.715 1.945 1.00 0.00 C ATOM 669 O GLN A 72 -5.821 16.840 1.481 1.00 0.00 O ATOM 670 CB GLN A 72 -6.803 14.220 3.611 1.00 0.00 C ATOM 671 CG GLN A 72 -8.109 13.556 4.052 1.00 0.00 C ATOM 672 CD GLN A 72 -8.140 13.320 5.567 1.00 0.00 C ATOM 673 OE1 GLN A 72 -7.111 13.252 6.237 1.00 0.00 O ATOM 674 NE2 GLN A 72 -9.325 13.209 6.134 1.00 0.00 N ATOM 0 H GLN A 72 -6.803 12.806 1.662 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.742 15.388 2.072 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.998 13.488 3.675 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.563 15.020 4.311 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.952 14.184 3.764 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.228 12.605 3.533 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.170 13.267 5.566 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.397 13.065 7.141 1.00 0.00 H new ATOM 683 N ARG A 73 -4.421 15.199 2.256 1.00 0.00 N ATOM 684 CA ARG A 73 -3.103 15.831 2.450 1.00 0.00 C ATOM 685 C ARG A 73 -3.142 17.107 3.286 1.00 0.00 C ATOM 686 O ARG A 73 -4.083 17.896 3.203 1.00 0.00 O ATOM 687 CB ARG A 73 -2.326 15.990 1.130 1.00 0.00 C ATOM 688 CG ARG A 73 -3.064 16.873 0.121 1.00 0.00 C ATOM 689 CD ARG A 73 -2.225 17.253 -1.099 1.00 0.00 C ATOM 690 NE ARG A 73 -2.993 18.160 -1.965 1.00 0.00 N ATOM 691 CZ ARG A 73 -3.943 17.833 -2.854 1.00 0.00 C ATOM 692 NH1 ARG A 73 -4.107 16.570 -3.255 1.00 0.00 N ATOM 693 NH2 ARG A 73 -4.728 18.797 -3.313 1.00 0.00 N ATOM 0 H ARG A 73 -4.341 14.192 2.396 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.532 15.128 3.057 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.347 16.421 1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.155 15.007 0.692 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.961 16.353 -0.215 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.393 17.784 0.622 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.300 17.734 -0.781 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.944 16.357 -1.653 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.778 19.154 -1.880 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.505 15.835 -2.885 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.835 16.340 -3.932 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.601 19.756 -2.989 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.460 18.580 -3.990 1.00 0.00 H new ATOM 758 N LEU A 78 2.906 16.837 6.601 1.00 0.00 N ATOM 759 CA LEU A 78 3.208 15.689 5.756 1.00 0.00 C ATOM 760 C LEU A 78 2.153 14.587 5.872 1.00 0.00 C ATOM 761 O LEU A 78 2.181 13.661 5.051 1.00 0.00 O ATOM 762 CB LEU A 78 4.613 15.148 6.098 1.00 0.00 C ATOM 763 CG LEU A 78 5.809 16.029 5.661 1.00 0.00 C ATOM 764 CD1 LEU A 78 6.013 17.281 6.525 1.00 0.00 C ATOM 765 CD2 LEU A 78 7.100 15.207 5.729 1.00 0.00 C ATOM 0 HA LEU A 78 3.192 16.023 4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.671 15.002 7.177 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.724 14.166 5.637 1.00 0.00 H new ATOM 0 HG LEU A 78 5.578 16.359 4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.870 17.844 6.154 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.121 17.905 6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.194 16.985 7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.942 15.827 5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.258 14.861 6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.020 14.348 5.063 1.00 0.00 H new ATOM 777 N LYS A 79 1.220 14.681 6.830 1.00 0.00 N ATOM 778 CA LYS A 79 0.073 13.777 6.943 1.00 0.00 C ATOM 779 C LYS A 79 -0.730 13.824 5.657 1.00 0.00 C ATOM 780 O LYS A 79 -0.876 14.887 5.049 1.00 0.00 O ATOM 781 CB LYS A 79 -0.801 14.133 8.161 1.00 0.00 C ATOM 782 CG LYS A 79 -1.123 12.905 9.042 1.00 0.00 C ATOM 783 CD LYS A 79 -2.182 11.882 8.576 1.00 0.00 C ATOM 784 CE LYS A 79 -3.619 12.275 8.969 1.00 0.00 C ATOM 785 NZ LYS A 79 -4.568 11.135 8.922 1.00 0.00 N ATOM 0 H LYS A 79 1.244 15.397 7.556 1.00 0.00 H new ATOM 0 HA LYS A 79 0.435 12.761 7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.289 14.883 8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.732 14.582 7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.191 12.361 9.195 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.438 13.278 10.017 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.124 11.777 7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.949 10.907 9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.612 12.693 9.976 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.970 13.060 8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.465 11.411 9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.743 10.869 7.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.162 10.324 9.431 1.00 0.00 H new ATOM 799 N VAL A 80 -1.218 12.671 5.227 1.00 0.00 N ATOM 800 CA VAL A 80 -2.030 12.554 4.042 1.00 0.00 C ATOM 801 C VAL A 80 -2.849 11.283 4.182 1.00 0.00 C ATOM 802 O VAL A 80 -2.412 10.293 4.758 1.00 0.00 O ATOM 803 CB VAL A 80 -1.121 12.593 2.803 1.00 0.00 C ATOM 804 CG1 VAL A 80 0.104 11.686 2.871 1.00 0.00 C ATOM 805 CG2 VAL A 80 -1.903 12.261 1.547 1.00 0.00 C ATOM 0 H VAL A 80 -1.055 11.783 5.702 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.728 13.382 3.919 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.750 13.617 2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.681 11.784 1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.723 11.974 3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.216 10.651 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.238 12.295 0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.329 11.262 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.705 12.987 1.415 1.00 0.00 H new ATOM 815 N THR A 81 -4.072 11.275 3.691 1.00 0.00 N ATOM 816 CA THR A 81 -4.968 10.151 3.847 1.00 0.00 C ATOM 817 C THR A 81 -5.807 10.132 2.584 1.00 0.00 C ATOM 818 O THR A 81 -6.161 11.195 2.081 1.00 0.00 O ATOM 819 CB THR A 81 -5.748 10.364 5.148 1.00 0.00 C ATOM 820 OG1 THR A 81 -4.816 10.393 6.213 1.00 0.00 O ATOM 821 CG2 THR A 81 -6.782 9.290 5.443 1.00 0.00 C ATOM 0 H THR A 81 -4.473 12.054 3.169 1.00 0.00 H new ATOM 0 HA THR A 81 -4.490 9.176 3.946 1.00 0.00 H new ATOM 0 HB THR A 81 -6.299 11.298 5.038 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.804 9.521 6.661 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.287 9.519 6.381 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.514 9.258 4.636 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.288 8.322 5.524 1.00 0.00 H new ATOM 829 N PHE A 82 -6.007 8.958 2.006 1.00 0.00 N ATOM 830 CA PHE A 82 -6.663 8.774 0.725 1.00 0.00 C ATOM 831 C PHE A 82 -7.424 7.450 0.746 1.00 0.00 C ATOM 832 O PHE A 82 -7.270 6.659 1.677 1.00 0.00 O ATOM 833 CB PHE A 82 -5.623 8.818 -0.403 1.00 0.00 C ATOM 834 CG PHE A 82 -4.502 7.792 -0.359 1.00 0.00 C ATOM 835 CD1 PHE A 82 -3.394 8.003 0.488 1.00 0.00 C ATOM 836 CD2 PHE A 82 -4.510 6.684 -1.231 1.00 0.00 C ATOM 837 CE1 PHE A 82 -2.287 7.142 0.427 1.00 0.00 C ATOM 838 CE2 PHE A 82 -3.406 5.815 -1.280 1.00 0.00 C ATOM 839 CZ PHE A 82 -2.287 6.055 -0.464 1.00 0.00 C ATOM 0 H PHE A 82 -5.707 8.080 2.431 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.376 9.578 0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.149 8.703 -1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.172 9.810 -0.407 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.397 8.828 1.185 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.367 6.502 -1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.434 7.315 1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.418 4.964 -1.944 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.427 5.404 -0.522 1.00 0.00 H new ATOM 849 N THR A 83 -8.179 7.164 -0.307 1.00 0.00 N ATOM 850 CA THR A 83 -8.842 5.887 -0.506 1.00 0.00 C ATOM 851 C THR A 83 -8.320 5.320 -1.832 1.00 0.00 C ATOM 852 O THR A 83 -7.924 6.071 -2.732 1.00 0.00 O ATOM 853 CB THR A 83 -10.365 6.119 -0.464 1.00 0.00 C ATOM 854 OG1 THR A 83 -10.744 6.806 0.724 1.00 0.00 O ATOM 855 CG2 THR A 83 -11.213 4.848 -0.566 1.00 0.00 C ATOM 0 H THR A 83 -8.349 7.829 -1.061 1.00 0.00 H new ATOM 0 HA THR A 83 -8.629 5.154 0.272 1.00 0.00 H new ATOM 0 HB THR A 83 -10.567 6.717 -1.353 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.535 6.251 1.504 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.270 5.112 -0.528 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.999 4.342 -1.508 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.974 4.184 0.265 1.00 0.00 H new ATOM 863 N ILE A 84 -8.295 3.998 -1.963 1.00 0.00 N ATOM 864 CA ILE A 84 -7.862 3.286 -3.156 1.00 0.00 C ATOM 865 C ILE A 84 -8.949 2.271 -3.479 1.00 0.00 C ATOM 866 O ILE A 84 -9.515 1.663 -2.574 1.00 0.00 O ATOM 867 CB ILE A 84 -6.470 2.621 -2.973 1.00 0.00 C ATOM 868 CG1 ILE A 84 -5.971 2.552 -1.530 1.00 0.00 C ATOM 869 CG2 ILE A 84 -5.406 3.349 -3.803 1.00 0.00 C ATOM 870 CD1 ILE A 84 -4.719 1.677 -1.395 1.00 0.00 C ATOM 0 H ILE A 84 -8.587 3.372 -1.213 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.729 3.979 -3.986 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.619 1.596 -3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.750 3.558 -1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.761 2.155 -0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.439 2.866 -3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.678 3.310 -4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.343 4.389 -3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.400 1.657 -0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.946 0.663 -1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.920 2.088 -2.011 1.00 0.00 H new ATOM 882 N TYR A 85 -9.245 2.098 -4.762 1.00 0.00 N ATOM 883 CA TYR A 85 -10.283 1.219 -5.269 1.00 0.00 C ATOM 884 C TYR A 85 -9.725 0.389 -6.426 1.00 0.00 C ATOM 885 O TYR A 85 -8.594 0.596 -6.876 1.00 0.00 O ATOM 886 CB TYR A 85 -11.505 2.048 -5.702 1.00 0.00 C ATOM 887 CG TYR A 85 -11.257 2.859 -6.957 1.00 0.00 C ATOM 888 CD1 TYR A 85 -10.611 4.099 -6.873 1.00 0.00 C ATOM 889 CD2 TYR A 85 -11.546 2.308 -8.214 1.00 0.00 C ATOM 890 CE1 TYR A 85 -10.217 4.764 -8.048 1.00 0.00 C ATOM 891 CE2 TYR A 85 -11.144 2.955 -9.392 1.00 0.00 C ATOM 892 CZ TYR A 85 -10.452 4.184 -9.311 1.00 0.00 C ATOM 893 OH TYR A 85 -9.967 4.811 -10.417 1.00 0.00 O ATOM 0 H TYR A 85 -8.746 2.588 -5.505 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.608 0.535 -4.485 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -12.350 1.379 -5.869 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.786 2.720 -4.892 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -10.416 4.543 -5.908 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.085 1.374 -8.276 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.731 5.726 -7.982 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.362 2.516 -10.355 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.173 4.337 -10.740 1.00 0.00 H new ATOM 903 N ASP A 86 -10.548 -0.539 -6.895 1.00 0.00 N ATOM 904 CA ASP A 86 -10.436 -1.280 -8.157 1.00 0.00 C ATOM 905 C ASP A 86 -11.886 -1.599 -8.559 1.00 0.00 C ATOM 906 O ASP A 86 -12.823 -1.020 -8.002 1.00 0.00 O ATOM 907 CB ASP A 86 -9.548 -2.529 -7.973 1.00 0.00 C ATOM 908 CG ASP A 86 -8.970 -3.160 -9.255 1.00 0.00 C ATOM 909 OD1 ASP A 86 -9.709 -3.625 -10.155 1.00 0.00 O ATOM 910 OD2 ASP A 86 -7.728 -3.320 -9.308 1.00 0.00 O ATOM 0 H ASP A 86 -11.375 -0.819 -6.368 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.946 -0.715 -8.950 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.717 -2.263 -7.320 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.132 -3.288 -7.453 1.00 0.00 H new ATOM 915 N ALA A 87 -12.119 -2.503 -9.502 1.00 0.00 N ATOM 916 CA ALA A 87 -13.437 -2.942 -9.942 1.00 0.00 C ATOM 917 C ALA A 87 -14.248 -3.689 -8.865 1.00 0.00 C ATOM 918 O ALA A 87 -15.359 -4.117 -9.176 1.00 0.00 O ATOM 919 CB ALA A 87 -13.248 -3.839 -11.174 1.00 0.00 C ATOM 0 H ALA A 87 -11.363 -2.970 -10.002 1.00 0.00 H new ATOM 0 HA ALA A 87 -14.020 -2.050 -10.173 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.220 -4.183 -11.526 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.756 -3.273 -11.964 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.634 -4.699 -10.907 1.00 0.00 H new ATOM 925 N GLU A 88 -13.728 -3.879 -7.648 1.00 0.00 N ATOM 926 CA GLU A 88 -14.252 -4.833 -6.675 1.00 0.00 C ATOM 927 C GLU A 88 -14.885 -4.062 -5.528 1.00 0.00 C ATOM 928 O GLU A 88 -16.104 -4.081 -5.341 1.00 0.00 O ATOM 929 CB GLU A 88 -13.154 -5.783 -6.132 1.00 0.00 C ATOM 930 CG GLU A 88 -11.978 -6.067 -7.058 1.00 0.00 C ATOM 931 CD GLU A 88 -12.342 -6.861 -8.308 1.00 0.00 C ATOM 932 OE1 GLU A 88 -13.535 -7.197 -8.519 1.00 0.00 O ATOM 933 OE2 GLU A 88 -11.406 -7.165 -9.083 1.00 0.00 O ATOM 0 H GLU A 88 -12.916 -3.363 -7.309 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.993 -5.457 -7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.764 -5.359 -5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.622 -6.733 -5.875 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.532 -5.120 -7.361 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.217 -6.615 -6.502 1.00 0.00 H new ATOM 940 N GLY A 89 -14.003 -3.438 -4.754 1.00 0.00 N ATOM 941 CA GLY A 89 -14.228 -2.774 -3.497 1.00 0.00 C ATOM 942 C GLY A 89 -13.259 -1.602 -3.398 1.00 0.00 C ATOM 943 O GLY A 89 -12.640 -1.202 -4.394 1.00 0.00 O ATOM 0 H GLY A 89 -13.022 -3.386 -5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.258 -2.423 -3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.074 -3.466 -2.669 1.00 0.00 H new ATOM 947 N SER A 90 -13.119 -1.034 -2.203 1.00 0.00 N ATOM 948 CA SER A 90 -12.193 0.057 -1.955 1.00 0.00 C ATOM 949 C SER A 90 -11.770 0.047 -0.474 1.00 0.00 C ATOM 950 O SER A 90 -12.461 -0.550 0.359 1.00 0.00 O ATOM 951 CB SER A 90 -12.859 1.346 -2.420 1.00 0.00 C ATOM 952 OG SER A 90 -14.119 1.567 -1.804 1.00 0.00 O ATOM 0 H SER A 90 -13.648 -1.321 -1.380 1.00 0.00 H new ATOM 0 HA SER A 90 -11.265 -0.045 -2.518 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.201 2.188 -2.204 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.989 1.313 -3.502 1.00 0.00 H new ATOM 0 HG SER A 90 -14.639 2.201 -2.341 1.00 0.00 H new ATOM 958 N VAL A 91 -10.644 0.685 -0.138 1.00 0.00 N ATOM 959 CA VAL A 91 -10.038 0.690 1.197 1.00 0.00 C ATOM 960 C VAL A 91 -9.428 2.056 1.491 1.00 0.00 C ATOM 961 O VAL A 91 -9.019 2.762 0.562 1.00 0.00 O ATOM 962 CB VAL A 91 -8.966 -0.418 1.312 1.00 0.00 C ATOM 963 CG1 VAL A 91 -9.578 -1.807 1.122 1.00 0.00 C ATOM 964 CG2 VAL A 91 -7.813 -0.249 0.313 1.00 0.00 C ATOM 0 H VAL A 91 -10.110 1.232 -0.813 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.816 0.489 1.933 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.560 -0.322 2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.798 -2.563 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.336 -1.978 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.037 -1.871 0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.095 -1.058 0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.206 -0.275 -0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.318 0.707 0.486 1.00 0.00 H new ATOM 974 N ASP A 92 -9.339 2.411 2.773 1.00 0.00 N ATOM 975 CA ASP A 92 -8.721 3.661 3.209 1.00 0.00 C ATOM 976 C ASP A 92 -7.220 3.464 3.392 1.00 0.00 C ATOM 977 O ASP A 92 -6.751 2.353 3.659 1.00 0.00 O ATOM 978 CB ASP A 92 -9.328 4.160 4.539 1.00 0.00 C ATOM 979 CG ASP A 92 -10.262 5.371 4.409 1.00 0.00 C ATOM 980 OD1 ASP A 92 -10.442 5.925 3.302 1.00 0.00 O ATOM 981 OD2 ASP A 92 -10.781 5.789 5.474 1.00 0.00 O ATOM 0 H ASP A 92 -9.694 1.838 3.539 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.911 4.408 2.438 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.881 3.341 4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.515 4.418 5.218 1.00 0.00 H new ATOM 986 N VAL A 93 -6.464 4.558 3.346 1.00 0.00 N ATOM 987 CA VAL A 93 -5.040 4.594 3.621 1.00 0.00 C ATOM 988 C VAL A 93 -4.730 5.877 4.390 1.00 0.00 C ATOM 989 O VAL A 93 -4.940 6.962 3.846 1.00 0.00 O ATOM 990 CB VAL A 93 -4.235 4.546 2.308 1.00 0.00 C ATOM 991 CG1 VAL A 93 -2.743 4.490 2.650 1.00 0.00 C ATOM 992 CG2 VAL A 93 -4.553 3.341 1.412 1.00 0.00 C ATOM 0 H VAL A 93 -6.845 5.474 3.107 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.756 3.726 4.217 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.512 5.441 1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.160 4.456 1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.467 5.376 3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.539 3.598 3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.942 3.387 0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.336 2.419 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.608 3.360 1.137 1.00 0.00 H new ATOM 1002 N SER A 94 -4.179 5.775 5.602 1.00 0.00 N ATOM 1003 CA SER A 94 -3.517 6.889 6.267 1.00 0.00 C ATOM 1004 C SER A 94 -2.025 6.736 5.999 1.00 0.00 C ATOM 1005 O SER A 94 -1.456 5.656 6.182 1.00 0.00 O ATOM 1006 CB SER A 94 -3.814 6.940 7.767 1.00 0.00 C ATOM 1007 OG SER A 94 -3.449 8.202 8.309 1.00 0.00 O ATOM 0 H SER A 94 -4.182 4.913 6.147 1.00 0.00 H new ATOM 0 HA SER A 94 -3.892 7.833 5.872 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.875 6.758 7.939 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.268 6.147 8.278 1.00 0.00 H new ATOM 0 HG SER A 94 -3.648 8.216 9.268 1.00 0.00 H new ATOM 1013 N TYR A 95 -1.379 7.812 5.575 1.00 0.00 N ATOM 1014 CA TYR A 95 0.051 7.941 5.403 1.00 0.00 C ATOM 1015 C TYR A 95 0.484 9.249 6.071 1.00 0.00 C ATOM 1016 O TYR A 95 -0.318 10.114 6.425 1.00 0.00 O ATOM 1017 CB TYR A 95 0.352 7.890 3.899 1.00 0.00 C ATOM 1018 CG TYR A 95 1.808 8.031 3.488 1.00 0.00 C ATOM 1019 CD1 TYR A 95 2.804 7.227 4.071 1.00 0.00 C ATOM 1020 CD2 TYR A 95 2.163 8.949 2.486 1.00 0.00 C ATOM 1021 CE1 TYR A 95 4.150 7.366 3.688 1.00 0.00 C ATOM 1022 CE2 TYR A 95 3.503 9.063 2.068 1.00 0.00 C ATOM 1023 CZ TYR A 95 4.513 8.301 2.695 1.00 0.00 C ATOM 1024 OH TYR A 95 5.823 8.469 2.358 1.00 0.00 O ATOM 0 H TYR A 95 -1.875 8.668 5.328 1.00 0.00 H new ATOM 0 HA TYR A 95 0.614 7.134 5.872 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -0.021 6.943 3.510 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -0.217 8.681 3.411 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.533 6.497 4.819 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.404 9.571 2.034 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.908 6.755 4.155 1.00 0.00 H new ATOM 0 HE2 TYR A 95 3.759 9.737 1.264 1.00 0.00 H new ATOM 0 HH TYR A 95 5.951 9.364 1.979 1.00 0.00 H new ATOM 1034 N GLU A 96 1.781 9.428 6.243 1.00 0.00 N ATOM 1035 CA GLU A 96 2.336 10.645 6.794 1.00 0.00 C ATOM 1036 C GLU A 96 3.781 10.629 6.363 1.00 0.00 C ATOM 1037 O GLU A 96 4.567 9.851 6.910 1.00 0.00 O ATOM 1038 CB GLU A 96 2.190 10.696 8.327 1.00 0.00 C ATOM 1039 CG GLU A 96 2.784 11.998 8.900 1.00 0.00 C ATOM 1040 CD GLU A 96 3.198 11.843 10.362 1.00 0.00 C ATOM 1041 OE1 GLU A 96 4.144 11.053 10.607 1.00 0.00 O ATOM 1042 OE2 GLU A 96 2.583 12.500 11.232 1.00 0.00 O ATOM 0 H GLU A 96 2.481 8.727 6.002 1.00 0.00 H new ATOM 0 HA GLU A 96 1.815 11.534 6.438 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.137 10.624 8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.693 9.837 8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.650 12.293 8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.051 12.800 8.814 1.00 0.00 H new ATOM 1049 N GLY A 97 4.130 11.443 5.369 1.00 0.00 N ATOM 1050 CA GLY A 97 5.547 11.483 5.036 1.00 0.00 C ATOM 1051 C GLY A 97 5.949 12.322 3.846 1.00 0.00 C ATOM 1052 O GLY A 97 7.122 12.260 3.499 1.00 0.00 O ATOM 0 H GLY A 97 3.509 12.038 4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.089 11.850 5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.882 10.461 4.859 1.00 0.00 H new ATOM 1056 N ILE A 98 5.034 13.089 3.249 1.00 0.00 N ATOM 1057 CA ILE A 98 5.087 13.550 1.877 1.00 0.00 C ATOM 1058 C ILE A 98 5.160 12.345 0.930 1.00 0.00 C ATOM 1059 O ILE A 98 5.642 11.254 1.246 1.00 0.00 O ATOM 1060 CB ILE A 98 6.124 14.688 1.695 1.00 0.00 C ATOM 1061 CG1 ILE A 98 5.539 15.913 0.963 1.00 0.00 C ATOM 1062 CG2 ILE A 98 7.447 14.266 1.046 1.00 0.00 C ATOM 1063 CD1 ILE A 98 5.233 15.742 -0.530 1.00 0.00 C ATOM 0 H ILE A 98 4.201 13.416 3.739 1.00 0.00 H new ATOM 0 HA ILE A 98 4.164 14.052 1.588 1.00 0.00 H new ATOM 0 HB ILE A 98 6.367 14.970 2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 98 4.618 16.203 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.238 16.742 1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.104 15.132 0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.927 13.504 1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.252 13.862 0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.827 16.672 -0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.150 15.489 -1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 98 4.504 14.942 -0.663 1.00 0.00 H new ATOM 1075 N LEU A 99 4.527 12.522 -0.217 1.00 0.00 N ATOM 1076 CA LEU A 99 4.330 11.487 -1.211 1.00 0.00 C ATOM 1077 C LEU A 99 5.378 11.619 -2.306 1.00 0.00 C ATOM 1078 O LEU A 99 5.896 12.720 -2.523 1.00 0.00 O ATOM 1079 CB LEU A 99 2.902 11.614 -1.758 1.00 0.00 C ATOM 1080 CG LEU A 99 1.916 10.909 -0.818 1.00 0.00 C ATOM 1081 CD1 LEU A 99 0.509 11.444 -1.034 1.00 0.00 C ATOM 1082 CD2 LEU A 99 1.913 9.394 -0.994 1.00 0.00 C ATOM 0 H LEU A 99 4.124 13.419 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 99 4.449 10.496 -0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.634 12.666 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.845 11.175 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 99 2.248 11.121 0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.181 10.935 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.492 12.515 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.206 11.266 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.197 8.949 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.631 9.147 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.909 9.002 -0.787 1.00 0.00 H new ATOM 1094 N PRO A 100 5.656 10.520 -3.029 1.00 0.00 N ATOM 1095 CA PRO A 100 6.531 10.580 -4.180 1.00 0.00 C ATOM 1096 C PRO A 100 5.893 11.508 -5.208 1.00 0.00 C ATOM 1097 O PRO A 100 4.666 11.598 -5.305 1.00 0.00 O ATOM 1098 CB PRO A 100 6.683 9.143 -4.687 1.00 0.00 C ATOM 1099 CG PRO A 100 5.584 8.331 -4.003 1.00 0.00 C ATOM 1100 CD PRO A 100 4.981 9.233 -2.937 1.00 0.00 C ATOM 0 HA PRO A 100 7.521 10.978 -3.955 1.00 0.00 H new ATOM 0 HB2 PRO A 100 6.581 9.100 -5.771 1.00 0.00 H new ATOM 0 HB3 PRO A 100 7.669 8.747 -4.444 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.826 8.020 -4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.992 7.424 -3.558 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.909 9.349 -3.093 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.114 8.799 -1.946 1.00 0.00 H new ATOM 1108 N ASP A 101 6.714 12.165 -6.021 1.00 0.00 N ATOM 1109 CA ASP A 101 6.235 13.098 -7.044 1.00 0.00 C ATOM 1110 C ASP A 101 5.384 12.385 -8.099 1.00 0.00 C ATOM 1111 O ASP A 101 4.551 12.986 -8.782 1.00 0.00 O ATOM 1112 CB ASP A 101 7.447 13.743 -7.706 1.00 0.00 C ATOM 1113 CG ASP A 101 7.027 14.762 -8.759 1.00 0.00 C ATOM 1114 OD1 ASP A 101 6.828 15.945 -8.386 1.00 0.00 O ATOM 1115 OD2 ASP A 101 6.965 14.417 -9.964 1.00 0.00 O ATOM 0 H ASP A 101 7.729 12.068 -5.992 1.00 0.00 H new ATOM 0 HA ASP A 101 5.606 13.853 -6.572 1.00 0.00 H new ATOM 0 HB2 ASP A 101 8.061 14.231 -6.949 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.064 12.973 -8.168 1.00 0.00 H new ATOM 1120 N LEU A 102 5.606 11.078 -8.211 1.00 0.00 N ATOM 1121 CA LEU A 102 4.887 10.170 -9.079 1.00 0.00 C ATOM 1122 C LEU A 102 3.481 9.875 -8.578 1.00 0.00 C ATOM 1123 O LEU A 102 2.687 9.437 -9.396 1.00 0.00 O ATOM 1124 CB LEU A 102 5.691 8.861 -9.203 1.00 0.00 C ATOM 1125 CG LEU A 102 6.668 8.824 -10.390 1.00 0.00 C ATOM 1126 CD1 LEU A 102 5.920 8.508 -11.686 1.00 0.00 C ATOM 1127 CD2 LEU A 102 7.505 10.102 -10.511 1.00 0.00 C ATOM 0 H LEU A 102 6.330 10.607 -7.669 1.00 0.00 H new ATOM 0 HA LEU A 102 4.779 10.647 -10.053 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.252 8.705 -8.282 1.00 0.00 H new ATOM 0 HB3 LEU A 102 4.994 8.028 -9.296 1.00 0.00 H new ATOM 0 HG LEU A 102 7.380 8.021 -10.200 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.625 8.485 -12.517 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.432 7.537 -11.597 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.168 9.276 -11.869 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.176 10.018 -11.366 1.00 0.00 H new ATOM 0 HD22 LEU A 102 6.844 10.958 -10.651 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.091 10.241 -9.602 1.00 0.00 H new ATOM 1139 N PHE A 103 3.146 10.063 -7.297 1.00 0.00 N ATOM 1140 CA PHE A 103 1.809 9.787 -6.798 1.00 0.00 C ATOM 1141 C PHE A 103 0.866 10.871 -7.330 1.00 0.00 C ATOM 1142 O PHE A 103 1.125 12.064 -7.158 1.00 0.00 O ATOM 1143 CB PHE A 103 1.861 9.744 -5.265 1.00 0.00 C ATOM 1144 CG PHE A 103 0.549 9.401 -4.594 1.00 0.00 C ATOM 1145 CD1 PHE A 103 -0.440 10.397 -4.480 1.00 0.00 C ATOM 1146 CD2 PHE A 103 0.287 8.090 -4.136 1.00 0.00 C ATOM 1147 CE1 PHE A 103 -1.702 10.093 -3.942 1.00 0.00 C ATOM 1148 CE2 PHE A 103 -0.955 7.816 -3.528 1.00 0.00 C ATOM 1149 CZ PHE A 103 -1.950 8.801 -3.455 1.00 0.00 C ATOM 0 H PHE A 103 3.793 10.408 -6.588 1.00 0.00 H new ATOM 0 HA PHE A 103 1.434 8.823 -7.140 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.610 9.013 -4.961 1.00 0.00 H new ATOM 0 HB3 PHE A 103 2.197 10.715 -4.900 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.227 11.403 -4.809 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.026 7.311 -4.250 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.474 10.847 -3.904 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.142 6.836 -3.114 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.911 8.564 -3.022 1.00 0.00 H new ATOM 1159 N ARG A 104 -0.240 10.478 -7.971 1.00 0.00 N ATOM 1160 CA ARG A 104 -1.260 11.385 -8.494 1.00 0.00 C ATOM 1161 C ARG A 104 -2.643 10.859 -8.154 1.00 0.00 C ATOM 1162 O ARG A 104 -2.822 9.696 -7.788 1.00 0.00 O ATOM 1163 CB ARG A 104 -1.107 11.571 -10.015 1.00 0.00 C ATOM 1164 CG ARG A 104 0.304 11.955 -10.466 1.00 0.00 C ATOM 1165 CD ARG A 104 0.596 13.416 -10.116 1.00 0.00 C ATOM 1166 NE ARG A 104 2.025 13.763 -10.140 1.00 0.00 N ATOM 1167 CZ ARG A 104 2.558 14.876 -10.657 1.00 0.00 C ATOM 1168 NH1 ARG A 104 1.784 15.826 -11.185 1.00 0.00 N ATOM 1169 NH2 ARG A 104 3.875 15.006 -10.652 1.00 0.00 N ATOM 0 H ARG A 104 -0.453 9.496 -8.143 1.00 0.00 H new ATOM 0 HA ARG A 104 -1.129 12.361 -8.026 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -1.395 10.645 -10.513 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -1.803 12.341 -10.347 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.036 11.306 -9.985 1.00 0.00 H new ATOM 0 HG3 ARG A 104 0.403 11.805 -11.541 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.065 14.060 -10.817 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.198 13.628 -9.124 1.00 0.00 H new ATOM 0 HE ARG A 104 2.670 13.092 -9.723 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.771 15.709 -11.198 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.206 16.669 -11.575 1.00 0.00 H new ATOM 0 HH21 ARG A 104 4.459 14.267 -10.260 1.00 0.00 H new ATOM 0 HH22 ARG A 104 4.306 15.845 -11.040 1.00 0.00 H new ATOM 1183 N GLU A 105 -3.657 11.690 -8.310 1.00 0.00 N ATOM 1184 CA GLU A 105 -5.022 11.237 -8.090 1.00 0.00 C ATOM 1185 C GLU A 105 -5.421 10.491 -9.360 1.00 0.00 C ATOM 1186 O GLU A 105 -5.282 11.017 -10.460 1.00 0.00 O ATOM 1187 CB GLU A 105 -5.931 12.398 -7.630 1.00 0.00 C ATOM 1188 CG GLU A 105 -5.340 12.882 -6.280 1.00 0.00 C ATOM 1189 CD GLU A 105 -6.174 13.827 -5.410 1.00 0.00 C ATOM 1190 OE1 GLU A 105 -7.303 13.449 -5.030 1.00 0.00 O ATOM 1191 OE2 GLU A 105 -5.624 14.865 -4.970 1.00 0.00 O ATOM 0 H GLU A 105 -3.567 12.668 -8.584 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.129 10.541 -7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.940 13.203 -8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.962 12.065 -7.509 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -5.111 11.999 -5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -4.393 13.378 -6.492 1.00 0.00 H new ATOM 1198 N GLY A 106 -5.785 9.219 -9.202 1.00 0.00 N ATOM 1199 CA GLY A 106 -6.321 8.378 -10.271 1.00 0.00 C ATOM 1200 C GLY A 106 -5.334 7.388 -10.891 1.00 0.00 C ATOM 1201 O GLY A 106 -5.587 6.913 -12.000 1.00 0.00 O ATOM 0 H GLY A 106 -5.714 8.734 -8.307 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.170 7.819 -9.878 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.703 9.025 -11.061 1.00 0.00 H new ATOM 1205 N GLN A 107 -4.210 7.086 -10.230 1.00 0.00 N ATOM 1206 CA GLN A 107 -3.189 6.156 -10.737 1.00 0.00 C ATOM 1207 C GLN A 107 -2.923 4.995 -9.768 1.00 0.00 C ATOM 1208 O GLN A 107 -3.494 4.956 -8.673 1.00 0.00 O ATOM 1209 CB GLN A 107 -1.905 6.919 -11.073 1.00 0.00 C ATOM 1210 CG GLN A 107 -1.335 7.665 -9.876 1.00 0.00 C ATOM 1211 CD GLN A 107 0.174 7.542 -9.857 1.00 0.00 C ATOM 1212 OE1 GLN A 107 0.742 6.922 -8.969 1.00 0.00 O ATOM 1213 NE2 GLN A 107 0.832 8.112 -10.845 1.00 0.00 N ATOM 0 H GLN A 107 -3.980 7.483 -9.319 1.00 0.00 H new ATOM 0 HA GLN A 107 -3.573 5.703 -11.651 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.159 6.219 -11.448 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -2.108 7.629 -11.875 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -1.621 8.716 -9.922 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.752 7.261 -8.954 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.325 8.621 -11.569 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.849 8.044 -10.887 1.00 0.00 H new ATOM 1222 N GLY A 108 -2.091 4.036 -10.190 1.00 0.00 N ATOM 1223 CA GLY A 108 -1.896 2.741 -9.551 1.00 0.00 C ATOM 1224 C GLY A 108 -0.706 2.768 -8.596 1.00 0.00 C ATOM 1225 O GLY A 108 0.437 2.772 -9.054 1.00 0.00 O ATOM 0 H GLY A 108 -1.513 4.152 -11.022 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -2.797 2.463 -9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -1.737 1.978 -10.312 1.00 0.00 H new ATOM 1229 N VAL A 109 -0.954 2.791 -7.288 1.00 0.00 N ATOM 1230 CA VAL A 109 0.097 2.880 -6.268 1.00 0.00 C ATOM 1231 C VAL A 109 0.247 1.496 -5.622 1.00 0.00 C ATOM 1232 O VAL A 109 -0.581 0.602 -5.845 1.00 0.00 O ATOM 1233 CB VAL A 109 -0.131 4.043 -5.279 1.00 0.00 C ATOM 1234 CG1 VAL A 109 -0.575 5.306 -6.013 1.00 0.00 C ATOM 1235 CG2 VAL A 109 -0.968 3.704 -4.047 1.00 0.00 C ATOM 0 H VAL A 109 -1.896 2.748 -6.900 1.00 0.00 H new ATOM 0 HA VAL A 109 1.052 3.140 -6.725 1.00 0.00 H new ATOM 0 HB VAL A 109 0.843 4.252 -4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.729 6.110 -5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.193 5.601 -6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.507 5.110 -6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.067 4.590 -3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.957 3.369 -4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.478 2.911 -3.481 1.00 0.00 H new ATOM 1245 N VAL A 110 1.273 1.328 -4.797 1.00 0.00 N ATOM 1246 CA VAL A 110 1.601 0.157 -4.005 1.00 0.00 C ATOM 1247 C VAL A 110 1.841 0.711 -2.597 1.00 0.00 C ATOM 1248 O VAL A 110 2.868 1.325 -2.295 1.00 0.00 O ATOM 1249 CB VAL A 110 2.789 -0.567 -4.696 1.00 0.00 C ATOM 1250 CG1 VAL A 110 3.755 -1.405 -3.844 1.00 0.00 C ATOM 1251 CG2 VAL A 110 2.203 -1.481 -5.774 1.00 0.00 C ATOM 0 H VAL A 110 1.954 2.074 -4.655 1.00 0.00 H new ATOM 0 HA VAL A 110 0.836 -0.616 -3.926 1.00 0.00 H new ATOM 0 HB VAL A 110 3.416 0.250 -5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 110 4.523 -1.839 -4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.225 -0.768 -3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 110 3.203 -2.203 -3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 110 3.010 -2.008 -6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.532 -2.205 -5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.649 -0.882 -6.497 1.00 0.00 H new ATOM 1261 N VAL A 111 0.818 0.627 -1.755 1.00 0.00 N ATOM 1262 CA VAL A 111 0.902 0.882 -0.329 1.00 0.00 C ATOM 1263 C VAL A 111 1.485 -0.357 0.340 1.00 0.00 C ATOM 1264 O VAL A 111 1.303 -1.480 -0.113 1.00 0.00 O ATOM 1265 CB VAL A 111 -0.527 1.191 0.160 1.00 0.00 C ATOM 1266 CG1 VAL A 111 -0.895 0.761 1.580 1.00 0.00 C ATOM 1267 CG2 VAL A 111 -0.831 2.671 0.003 1.00 0.00 C ATOM 0 H VAL A 111 -0.121 0.371 -2.059 1.00 0.00 H new ATOM 0 HA VAL A 111 1.547 1.726 -0.086 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.144 0.566 -0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.927 1.041 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.786 -0.320 1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.234 1.254 2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.843 2.874 0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.121 3.253 0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.747 2.950 -1.047 1.00 0.00 H new ATOM 1277 N GLN A 112 2.101 -0.140 1.489 1.00 0.00 N ATOM 1278 CA GLN A 112 2.535 -1.133 2.455 1.00 0.00 C ATOM 1279 C GLN A 112 2.516 -0.451 3.790 1.00 0.00 C ATOM 1280 O GLN A 112 2.884 0.718 3.852 1.00 0.00 O ATOM 1281 CB GLN A 112 3.959 -1.615 2.129 1.00 0.00 C ATOM 1282 CG GLN A 112 4.569 -2.533 3.197 1.00 0.00 C ATOM 1283 CD GLN A 112 5.612 -3.488 2.633 1.00 0.00 C ATOM 1284 OE1 GLN A 112 5.444 -4.703 2.735 1.00 0.00 O ATOM 1285 NE2 GLN A 112 6.679 -2.993 2.026 1.00 0.00 N ATOM 0 H GLN A 112 2.328 0.807 1.793 1.00 0.00 H new ATOM 0 HA GLN A 112 1.885 -2.008 2.441 1.00 0.00 H new ATOM 0 HB2 GLN A 112 3.943 -2.144 1.176 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.605 -0.746 2.000 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.026 -1.922 3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 112 3.774 -3.110 3.670 1.00 0.00 H new ATOM 0 HE21 GLN A 112 6.801 -1.983 1.951 1.00 0.00 H new ATOM 0 HE22 GLN A 112 7.380 -3.622 1.633 1.00 0.00 H new ATOM 1294 N GLY A 113 2.135 -1.184 4.823 1.00 0.00 N ATOM 1295 CA GLY A 113 2.469 -0.883 6.185 1.00 0.00 C ATOM 1296 C GLY A 113 1.679 -1.926 6.920 1.00 0.00 C ATOM 1297 O GLY A 113 1.989 -3.101 6.726 1.00 0.00 O ATOM 0 H GLY A 113 1.569 -2.027 4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.539 -0.969 6.374 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.176 0.128 6.466 1.00 0.00 H new ATOM 1301 N GLU A 114 0.639 -1.560 7.658 1.00 0.00 N ATOM 1302 CA GLU A 114 -0.007 -2.449 8.586 1.00 0.00 C ATOM 1303 C GLU A 114 -1.515 -2.216 8.543 1.00 0.00 C ATOM 1304 O GLU A 114 -1.978 -1.157 8.115 1.00 0.00 O ATOM 1305 CB GLU A 114 0.628 -2.217 9.967 1.00 0.00 C ATOM 1306 CG GLU A 114 2.086 -2.732 9.986 1.00 0.00 C ATOM 1307 CD GLU A 114 2.718 -3.103 11.327 1.00 0.00 C ATOM 1308 OE1 GLU A 114 3.389 -2.215 11.900 1.00 0.00 O ATOM 1309 OE2 GLU A 114 2.738 -4.310 11.666 1.00 0.00 O ATOM 0 H GLU A 114 0.225 -0.629 7.621 1.00 0.00 H new ATOM 0 HA GLU A 114 0.136 -3.499 8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.608 -1.154 10.209 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.045 -2.729 10.733 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.134 -3.612 9.344 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.712 -1.967 9.526 1.00 0.00 H new ATOM 1316 N LEU A 115 -2.286 -3.245 8.893 1.00 0.00 N ATOM 1317 CA LEU A 115 -3.752 -3.194 8.812 1.00 0.00 C ATOM 1318 C LEU A 115 -4.322 -2.539 10.073 1.00 0.00 C ATOM 1319 O LEU A 115 -3.980 -2.953 11.175 1.00 0.00 O ATOM 1320 CB LEU A 115 -4.289 -4.608 8.577 1.00 0.00 C ATOM 1321 CG LEU A 115 -5.812 -4.739 8.523 1.00 0.00 C ATOM 1322 CD1 LEU A 115 -6.540 -3.742 7.610 1.00 0.00 C ATOM 1323 CD2 LEU A 115 -6.146 -6.145 8.040 1.00 0.00 C ATOM 0 H LEU A 115 -1.920 -4.132 9.238 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.071 -2.578 7.971 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.877 -4.982 7.640 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.915 -5.255 9.370 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.160 -4.523 9.533 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.613 -3.928 7.651 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.335 -2.725 7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.189 -3.864 6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.228 -6.266 7.992 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.719 -6.300 7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.730 -6.876 8.733 1.00 0.00 H new ATOM 1335 N GLU A 116 -5.162 -1.510 9.916 1.00 0.00 N ATOM 1336 CA GLU A 116 -5.580 -0.645 11.002 1.00 0.00 C ATOM 1337 C GLU A 116 -6.670 -1.310 11.830 1.00 0.00 C ATOM 1338 O GLU A 116 -6.457 -1.588 13.014 1.00 0.00 O ATOM 1339 CB GLU A 116 -6.057 0.695 10.424 1.00 0.00 C ATOM 1340 CG GLU A 116 -6.082 1.806 11.476 1.00 0.00 C ATOM 1341 CD GLU A 116 -7.432 2.115 12.113 1.00 0.00 C ATOM 1342 OE1 GLU A 116 -8.385 2.429 11.366 1.00 0.00 O ATOM 1343 OE2 GLU A 116 -7.486 2.131 13.366 1.00 0.00 O ATOM 0 H GLU A 116 -5.571 -1.259 9.016 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.736 -0.461 11.666 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.401 0.989 9.604 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.056 0.572 10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.384 1.539 12.270 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.706 2.719 11.015 1.00 0.00 H new ATOM 1350 N LYS A 117 -7.856 -1.518 11.237 1.00 0.00 N ATOM 1351 CA LYS A 117 -8.950 -2.190 11.908 1.00 0.00 C ATOM 1352 C LYS A 117 -9.891 -2.950 10.991 1.00 0.00 C ATOM 1353 O LYS A 117 -9.988 -4.170 11.107 1.00 0.00 O ATOM 1354 CB LYS A 117 -9.709 -1.236 12.838 1.00 0.00 C ATOM 1355 CG LYS A 117 -9.933 -2.016 14.134 1.00 0.00 C ATOM 1356 CD LYS A 117 -10.968 -1.354 15.036 1.00 0.00 C ATOM 1357 CE LYS A 117 -10.488 0.001 15.553 1.00 0.00 C ATOM 1358 NZ LYS A 117 -9.463 -0.147 16.603 1.00 0.00 N ATOM 0 H LYS A 117 -8.070 -1.222 10.285 1.00 0.00 H new ATOM 0 HA LYS A 117 -8.476 -2.961 12.515 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -9.135 -0.328 13.021 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -10.657 -0.930 12.396 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -10.258 -3.029 13.895 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.989 -2.103 14.671 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.899 -1.223 14.485 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -11.186 -2.008 15.880 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -10.080 0.582 14.726 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -11.336 0.561 15.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -9.199 0.792 16.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -9.843 -0.723 17.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -8.623 -0.614 16.205 1.00 0.00 H new ATOM 1372 N GLY A 118 -10.627 -2.236 10.140 1.00 0.00 N ATOM 1373 CA GLY A 118 -11.575 -2.854 9.236 1.00 0.00 C ATOM 1374 C GLY A 118 -10.864 -3.119 7.935 1.00 0.00 C ATOM 1375 O GLY A 118 -10.302 -4.193 7.726 1.00 0.00 O ATOM 0 H GLY A 118 -10.578 -1.220 10.064 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -11.957 -3.783 9.659 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -12.433 -2.201 9.077 1.00 0.00 H new ATOM 1379 N ASN A 119 -10.855 -2.102 7.079 1.00 0.00 N ATOM 1380 CA ASN A 119 -10.295 -2.167 5.741 1.00 0.00 C ATOM 1381 C ASN A 119 -9.559 -0.846 5.503 1.00 0.00 C ATOM 1382 O ASN A 119 -9.807 -0.138 4.523 1.00 0.00 O ATOM 1383 CB ASN A 119 -11.393 -2.464 4.698 1.00 0.00 C ATOM 1384 CG ASN A 119 -12.384 -3.553 5.102 1.00 0.00 C ATOM 1385 OD1 ASN A 119 -11.991 -4.816 5.142 1.00 0.00 O flip ATOM 1386 ND2 ASN A 119 -13.537 -3.258 5.400 1.00 0.00 N flip ATOM 0 H ASN A 119 -11.248 -1.188 7.306 1.00 0.00 H new ATOM 0 HA ASN A 119 -9.587 -2.989 5.637 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.945 -1.545 4.501 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -10.916 -2.756 3.762 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -13.839 -2.284 5.369 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -14.194 -3.987 5.679 1.00 0.00 H new ATOM 1393 N HIS A 120 -8.679 -0.491 6.446 1.00 0.00 N ATOM 1394 CA HIS A 120 -7.863 0.716 6.425 1.00 0.00 C ATOM 1395 C HIS A 120 -6.416 0.287 6.612 1.00 0.00 C ATOM 1396 O HIS A 120 -6.135 -0.530 7.481 1.00 0.00 O ATOM 1397 CB HIS A 120 -8.330 1.663 7.541 1.00 0.00 C ATOM 1398 CG HIS A 120 -7.462 2.876 7.818 1.00 0.00 C ATOM 1399 ND1 HIS A 120 -7.456 3.605 8.991 1.00 0.00 N ATOM 1400 CD2 HIS A 120 -6.526 3.439 6.990 1.00 0.00 C ATOM 1401 CE1 HIS A 120 -6.545 4.591 8.856 1.00 0.00 C ATOM 1402 NE2 HIS A 120 -5.963 4.517 7.656 1.00 0.00 N ATOM 0 H HIS A 120 -8.514 -1.063 7.274 1.00 0.00 H new ATOM 0 HA HIS A 120 -7.958 1.255 5.482 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.332 2.012 7.293 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.413 1.087 8.463 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -8.036 3.430 9.812 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.272 3.103 5.996 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -6.319 5.332 9.608 1.00 0.00 H new ATOM 1410 N ILE A 121 -5.506 0.813 5.801 1.00 0.00 N ATOM 1411 CA ILE A 121 -4.080 0.555 5.861 1.00 0.00 C ATOM 1412 C ILE A 121 -3.382 1.769 6.474 1.00 0.00 C ATOM 1413 O ILE A 121 -3.541 2.891 5.993 1.00 0.00 O ATOM 1414 CB ILE A 121 -3.559 0.276 4.433 1.00 0.00 C ATOM 1415 CG1 ILE A 121 -4.506 -0.544 3.524 1.00 0.00 C ATOM 1416 CG2 ILE A 121 -2.192 -0.400 4.549 1.00 0.00 C ATOM 1417 CD1 ILE A 121 -4.868 -1.934 4.056 1.00 0.00 C ATOM 0 H ILE A 121 -5.757 1.459 5.052 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.871 -0.316 6.482 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.492 1.241 3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.425 0.023 3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.040 -0.656 2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -1.803 -0.607 3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.504 0.260 5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.294 -1.335 5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.534 -2.431 3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.960 -2.525 4.176 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.367 -1.836 5.020 1.00 0.00 H new ATOM 1429 N LEU A 122 -2.517 1.537 7.456 1.00 0.00 N ATOM 1430 CA LEU A 122 -1.471 2.483 7.800 1.00 0.00 C ATOM 1431 C LEU A 122 -0.406 2.254 6.752 1.00 0.00 C ATOM 1432 O LEU A 122 0.322 1.268 6.823 1.00 0.00 O ATOM 1433 CB LEU A 122 -0.849 2.185 9.171 1.00 0.00 C ATOM 1434 CG LEU A 122 -1.594 2.723 10.386 1.00 0.00 C ATOM 1435 CD1 LEU A 122 -1.733 4.251 10.395 1.00 0.00 C ATOM 1436 CD2 LEU A 122 -2.983 2.122 10.526 1.00 0.00 C ATOM 0 H LEU A 122 -2.524 0.694 8.030 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.867 3.498 7.838 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.759 1.104 9.277 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.162 2.592 9.183 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.972 2.425 11.230 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.274 4.562 11.289 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.743 4.706 10.393 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.281 4.572 9.509 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.472 2.538 11.407 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.572 2.356 9.639 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.902 1.040 10.633 1.00 0.00 H new ATOM 1448 N ALA A 123 -0.341 3.109 5.742 1.00 0.00 N ATOM 1449 CA ALA A 123 0.780 3.094 4.829 1.00 0.00 C ATOM 1450 C ALA A 123 2.013 3.674 5.503 1.00 0.00 C ATOM 1451 O ALA A 123 1.949 4.662 6.228 1.00 0.00 O ATOM 1452 CB ALA A 123 0.457 3.891 3.585 1.00 0.00 C ATOM 0 H ALA A 123 -1.048 3.815 5.539 1.00 0.00 H new ATOM 0 HA ALA A 123 0.980 2.061 4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.311 3.870 2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.410 3.456 3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.238 4.923 3.861 1.00 0.00 H new ATOM 1458 N LYS A 124 3.145 3.091 5.144 1.00 0.00 N ATOM 1459 CA LYS A 124 4.477 3.396 5.624 1.00 0.00 C ATOM 1460 C LYS A 124 5.308 4.047 4.531 1.00 0.00 C ATOM 1461 O LYS A 124 6.244 4.759 4.869 1.00 0.00 O ATOM 1462 CB LYS A 124 5.075 2.128 6.262 1.00 0.00 C ATOM 1463 CG LYS A 124 5.793 1.158 5.316 1.00 0.00 C ATOM 1464 CD LYS A 124 7.292 1.464 5.242 1.00 0.00 C ATOM 1465 CE LYS A 124 8.117 0.732 6.312 1.00 0.00 C ATOM 1466 NZ LYS A 124 8.328 1.512 7.549 1.00 0.00 N ATOM 0 H LYS A 124 3.154 2.336 4.458 1.00 0.00 H new ATOM 0 HA LYS A 124 4.458 4.147 6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 124 5.780 2.435 7.035 1.00 0.00 H new ATOM 0 HB3 LYS A 124 4.272 1.586 6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 124 5.645 0.134 5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 124 5.356 1.227 4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.664 1.188 4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.442 2.538 5.350 1.00 0.00 H new ATOM 0 HE2 LYS A 124 7.616 -0.202 6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 124 9.087 0.470 5.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.075 1.065 8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.612 2.482 7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 7.445 1.539 8.098 1.00 0.00 H new ATOM 1480 N GLU A 125 4.974 3.854 3.243 1.00 0.00 N ATOM 1481 CA GLU A 125 5.863 4.338 2.181 1.00 0.00 C ATOM 1482 C GLU A 125 5.258 4.664 0.812 1.00 0.00 C ATOM 1483 O GLU A 125 5.978 5.184 -0.030 1.00 0.00 O ATOM 1484 CB GLU A 125 6.998 3.318 2.000 1.00 0.00 C ATOM 1485 CG GLU A 125 6.507 1.980 1.414 1.00 0.00 C ATOM 1486 CD GLU A 125 7.555 0.862 1.345 1.00 0.00 C ATOM 1487 OE1 GLU A 125 8.752 1.067 1.639 1.00 0.00 O ATOM 1488 OE2 GLU A 125 7.149 -0.260 0.951 1.00 0.00 O ATOM 0 H GLU A 125 4.127 3.384 2.923 1.00 0.00 H new ATOM 0 HA GLU A 125 6.191 5.314 2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.759 3.740 1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.474 3.135 2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.666 1.629 2.012 1.00 0.00 H new ATOM 0 HG3 GLU A 125 6.129 2.162 0.408 1.00 0.00 H new ATOM 1495 N VAL A 126 3.980 4.354 0.577 1.00 0.00 N ATOM 1496 CA VAL A 126 3.177 4.691 -0.613 1.00 0.00 C ATOM 1497 C VAL A 126 3.995 4.881 -1.901 1.00 0.00 C ATOM 1498 O VAL A 126 4.345 5.988 -2.304 1.00 0.00 O ATOM 1499 CB VAL A 126 2.297 5.917 -0.324 1.00 0.00 C ATOM 1500 CG1 VAL A 126 1.344 6.197 -1.498 1.00 0.00 C ATOM 1501 CG2 VAL A 126 1.420 5.657 0.895 1.00 0.00 C ATOM 0 H VAL A 126 3.436 3.824 1.258 1.00 0.00 H new ATOM 0 HA VAL A 126 2.547 3.824 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 126 2.966 6.762 -0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 126 0.732 7.069 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 126 1.925 6.388 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 126 0.699 5.333 -1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 126 0.801 6.532 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 126 0.781 4.795 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.051 5.458 1.761 1.00 0.00 H new ATOM 1511 N LEU A 127 4.257 3.778 -2.583 1.00 0.00 N ATOM 1512 CA LEU A 127 5.059 3.762 -3.799 1.00 0.00 C ATOM 1513 C LEU A 127 4.123 3.990 -4.979 1.00 0.00 C ATOM 1514 O LEU A 127 3.033 3.434 -5.005 1.00 0.00 O ATOM 1515 CB LEU A 127 5.730 2.393 -3.935 1.00 0.00 C ATOM 1516 CG LEU A 127 6.570 1.973 -2.708 1.00 0.00 C ATOM 1517 CD1 LEU A 127 7.105 0.553 -2.890 1.00 0.00 C ATOM 1518 CD2 LEU A 127 7.730 2.941 -2.436 1.00 0.00 C ATOM 0 H LEU A 127 3.916 2.858 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 127 5.826 4.536 -3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.961 1.640 -4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.373 2.402 -4.815 1.00 0.00 H new ATOM 0 HG LEU A 127 5.909 2.004 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.695 0.272 -2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 127 6.270 -0.139 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.732 0.512 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.290 2.602 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.391 2.970 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.334 3.939 -2.248 1.00 0.00 H new ATOM 1530 N ALA A 128 4.553 4.721 -6.003 1.00 0.00 N ATOM 1531 CA ALA A 128 3.745 5.049 -7.184 1.00 0.00 C ATOM 1532 C ALA A 128 4.363 4.433 -8.439 1.00 0.00 C ATOM 1533 O ALA A 128 4.575 5.115 -9.442 1.00 0.00 O ATOM 1534 CB ALA A 128 3.513 6.559 -7.290 1.00 0.00 C ATOM 0 H ALA A 128 5.494 5.113 -6.040 1.00 0.00 H new ATOM 0 HA ALA A 128 2.755 4.606 -7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.912 6.774 -8.174 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.989 6.910 -6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.473 7.070 -7.371 1.00 0.00 H new ATOM 1540 N LYS A 129 4.665 3.130 -8.346 1.00 0.00 N ATOM 1541 CA LYS A 129 5.036 2.224 -9.446 1.00 0.00 C ATOM 1542 C LYS A 129 5.954 2.833 -10.515 1.00 0.00 C ATOM 1543 O LYS A 129 5.838 2.517 -11.700 1.00 0.00 O ATOM 1544 CB LYS A 129 3.734 1.664 -10.048 1.00 0.00 C ATOM 1545 CG LYS A 129 3.080 0.543 -9.254 1.00 0.00 C ATOM 1546 CD LYS A 129 3.757 -0.807 -9.511 1.00 0.00 C ATOM 1547 CE LYS A 129 2.756 -1.879 -9.099 1.00 0.00 C ATOM 1548 NZ LYS A 129 1.766 -2.199 -10.147 1.00 0.00 N ATOM 0 H LYS A 129 4.657 2.650 -7.446 1.00 0.00 H new ATOM 0 HA LYS A 129 5.650 1.427 -9.027 1.00 0.00 H new ATOM 0 HB2 LYS A 129 3.019 2.481 -10.149 1.00 0.00 H new ATOM 0 HB3 LYS A 129 3.945 1.300 -11.053 1.00 0.00 H new ATOM 0 HG2 LYS A 129 3.127 0.776 -8.190 1.00 0.00 H new ATOM 0 HG3 LYS A 129 2.025 0.477 -9.520 1.00 0.00 H new ATOM 0 HD2 LYS A 129 4.027 -0.912 -10.562 1.00 0.00 H new ATOM 0 HD3 LYS A 129 4.678 -0.895 -8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 129 3.298 -2.787 -8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 129 2.230 -1.548 -8.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 1.118 -2.934 -9.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 1.224 -1.344 -10.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 2.258 -2.544 -10.996 1.00 0.00 H new