USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 481 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 102 HIS : no HE2:sc= -1.93 K(o=-5.4,f=-14!) USER MOD Set 1.2: A 105 ASN : amide:sc= -3.49! C(o=-5.4!,f=-8.2!) USER MOD Single : A 84 HIS : no HD1:sc= -0.0676 X(o=-0.068,f=-0.096) USER MOD Single : A 88 LYS NZ :NH3+ 162:sc= -0.0374 (180deg=-0.274) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 0.874 K(o=0.87,f=-6.6!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0.329 K(o=0.33,f=-5.2!) USER MOD Single : A 108 LYS NZ :NH3+ 179:sc= 1.2 (180deg=1.15) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -0:sc= 1.16 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 128:sc= 0.326 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc=-0.00851 USER MOD Single : A 124 MET CE :methyl 151:sc= -1.29 (180deg=-3.47!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot -7:sc= 1.11 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 83:sc= 0.885 USER MOD Single : A 138 ASN : amide:sc= -0.918 K(o=-0.92,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 61 N ASP A 80 7.407 4.051 -3.587 1.00 0.00 N ATOM 62 CA ASP A 80 7.430 2.643 -3.977 1.00 0.00 C ATOM 63 C ASP A 80 7.971 1.803 -2.822 1.00 0.00 C ATOM 64 O ASP A 80 9.184 1.759 -2.586 1.00 0.00 O ATOM 65 CB ASP A 80 8.326 2.462 -5.223 1.00 0.00 C ATOM 66 CG ASP A 80 8.300 1.054 -5.808 1.00 0.00 C ATOM 67 OD1 ASP A 80 8.793 0.119 -5.153 1.00 0.00 O ATOM 68 OD2 ASP A 80 7.825 0.888 -6.956 1.00 0.00 O ATOM 0 HA ASP A 80 6.418 2.316 -4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.010 3.169 -5.990 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.353 2.716 -4.959 1.00 0.00 H new ATOM 73 N LEU A 81 7.078 1.176 -2.083 1.00 0.00 N ATOM 74 CA LEU A 81 7.477 0.345 -0.953 1.00 0.00 C ATOM 75 C LEU A 81 7.434 -1.122 -1.339 1.00 0.00 C ATOM 76 O LEU A 81 6.613 -1.528 -2.149 1.00 0.00 O ATOM 77 CB LEU A 81 6.561 0.588 0.255 1.00 0.00 C ATOM 78 CG LEU A 81 6.945 -0.166 1.537 1.00 0.00 C ATOM 79 CD1 LEU A 81 8.226 0.395 2.133 1.00 0.00 C ATOM 80 CD2 LEU A 81 5.815 -0.122 2.551 1.00 0.00 C ATOM 0 H LEU A 81 6.071 1.223 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 81 8.496 0.616 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.550 1.656 0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.544 0.308 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 81 7.122 -1.209 1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.477 -0.155 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.037 0.295 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.084 1.448 2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.111 -0.663 3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.596 0.915 2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.926 -0.586 2.125 1.00 0.00 H new ATOM 92 N ILE A 82 8.322 -1.912 -0.774 1.00 0.00 N ATOM 93 CA ILE A 82 8.333 -3.332 -1.061 1.00 0.00 C ATOM 94 C ILE A 82 7.883 -4.122 0.158 1.00 0.00 C ATOM 95 O ILE A 82 8.127 -3.715 1.297 1.00 0.00 O ATOM 96 CB ILE A 82 9.725 -3.839 -1.494 1.00 0.00 C ATOM 97 CG1 ILE A 82 10.433 -2.812 -2.364 1.00 0.00 C ATOM 98 CG2 ILE A 82 9.578 -5.139 -2.261 1.00 0.00 C ATOM 99 CD1 ILE A 82 11.797 -3.266 -2.832 1.00 0.00 C ATOM 0 H ILE A 82 9.039 -1.600 -0.119 1.00 0.00 H new ATOM 0 HA ILE A 82 7.643 -3.484 -1.891 1.00 0.00 H new ATOM 0 HB ILE A 82 10.324 -4.004 -0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.813 -2.592 -3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.539 -1.883 -1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.562 -5.495 -2.566 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.103 -5.885 -1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.963 -4.972 -3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 82 12.248 -2.488 -3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 82 12.433 -3.459 -1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.695 -4.179 -3.418 1.00 0.00 H new ATOM 111 N VAL A 83 7.241 -5.246 -0.087 1.00 0.00 N ATOM 112 CA VAL A 83 6.752 -6.122 0.959 1.00 0.00 C ATOM 113 C VAL A 83 6.934 -7.570 0.521 1.00 0.00 C ATOM 114 O VAL A 83 7.329 -7.827 -0.613 1.00 0.00 O ATOM 115 CB VAL A 83 5.258 -5.858 1.284 1.00 0.00 C ATOM 116 CG1 VAL A 83 5.095 -4.581 2.095 1.00 0.00 C ATOM 117 CG2 VAL A 83 4.441 -5.776 0.006 1.00 0.00 C ATOM 0 H VAL A 83 7.042 -5.581 -1.029 1.00 0.00 H new ATOM 0 HA VAL A 83 7.325 -5.923 1.865 1.00 0.00 H new ATOM 0 HB VAL A 83 4.891 -6.693 1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.039 -4.419 2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.646 -4.672 3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.484 -3.736 1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.396 -5.590 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.817 -4.963 -0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.523 -6.716 -0.539 1.00 0.00 H new ATOM 127 N HIS A 84 6.641 -8.505 1.395 1.00 0.00 N ATOM 128 CA HIS A 84 6.836 -9.914 1.066 1.00 0.00 C ATOM 129 C HIS A 84 5.591 -10.750 1.324 1.00 0.00 C ATOM 130 O HIS A 84 5.222 -11.004 2.468 1.00 0.00 O ATOM 131 CB HIS A 84 8.070 -10.504 1.788 1.00 0.00 C ATOM 132 CG HIS A 84 8.041 -10.394 3.287 1.00 0.00 C ATOM 133 ND1 HIS A 84 7.759 -11.457 4.115 1.00 0.00 N ATOM 134 CD2 HIS A 84 8.278 -9.344 4.101 1.00 0.00 C ATOM 135 CE1 HIS A 84 7.821 -11.066 5.368 1.00 0.00 C ATOM 136 NE2 HIS A 84 8.136 -9.787 5.391 1.00 0.00 N ATOM 0 H HIS A 84 6.271 -8.328 2.329 1.00 0.00 H new ATOM 0 HA HIS A 84 7.027 -9.957 -0.006 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.162 -11.556 1.518 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.963 -10.001 1.419 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.532 -8.340 3.793 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.644 -11.688 6.233 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.255 -9.220 6.230 1.00 0.00 H new ATOM 145 N GLU A 85 4.957 -11.170 0.249 1.00 0.00 N ATOM 146 CA GLU A 85 3.762 -12.005 0.319 1.00 0.00 C ATOM 147 C GLU A 85 4.033 -13.361 -0.318 1.00 0.00 C ATOM 148 O GLU A 85 4.271 -13.455 -1.528 1.00 0.00 O ATOM 149 CB GLU A 85 2.572 -11.334 -0.388 1.00 0.00 C ATOM 150 CG GLU A 85 1.652 -10.515 0.514 1.00 0.00 C ATOM 151 CD GLU A 85 2.343 -9.350 1.193 1.00 0.00 C ATOM 152 OE1 GLU A 85 2.970 -8.540 0.497 1.00 0.00 O ATOM 153 OE2 GLU A 85 2.216 -9.220 2.427 1.00 0.00 O ATOM 0 H GLU A 85 5.251 -10.945 -0.702 1.00 0.00 H new ATOM 0 HA GLU A 85 3.509 -12.139 1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.957 -10.683 -1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.979 -12.107 -0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.819 -10.136 -0.079 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.229 -11.169 1.276 1.00 0.00 H new ATOM 160 N GLY A 86 4.019 -14.404 0.491 1.00 0.00 N ATOM 161 CA GLY A 86 4.242 -15.743 -0.021 1.00 0.00 C ATOM 162 C GLY A 86 5.652 -15.941 -0.542 1.00 0.00 C ATOM 163 O GLY A 86 5.874 -16.697 -1.492 1.00 0.00 O ATOM 0 H GLY A 86 3.857 -14.351 1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.046 -16.468 0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.531 -15.945 -0.822 1.00 0.00 H new ATOM 167 N GLY A 87 6.602 -15.246 0.066 1.00 0.00 N ATOM 168 CA GLY A 87 7.988 -15.370 -0.339 1.00 0.00 C ATOM 169 C GLY A 87 8.361 -14.447 -1.483 1.00 0.00 C ATOM 170 O GLY A 87 9.541 -14.286 -1.793 1.00 0.00 O ATOM 0 H GLY A 87 6.438 -14.596 0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.630 -15.157 0.516 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.183 -16.401 -0.634 1.00 0.00 H new ATOM 174 N LYS A 88 7.365 -13.844 -2.115 1.00 0.00 N ATOM 175 CA LYS A 88 7.613 -12.941 -3.231 1.00 0.00 C ATOM 176 C LYS A 88 7.573 -11.490 -2.782 1.00 0.00 C ATOM 177 O LYS A 88 6.707 -11.096 -1.999 1.00 0.00 O ATOM 178 CB LYS A 88 6.606 -13.169 -4.361 1.00 0.00 C ATOM 179 CG LYS A 88 6.736 -14.518 -5.058 1.00 0.00 C ATOM 180 CD LYS A 88 8.159 -14.757 -5.536 1.00 0.00 C ATOM 181 CE LYS A 88 8.231 -15.890 -6.546 1.00 0.00 C ATOM 182 NZ LYS A 88 7.575 -15.535 -7.832 1.00 0.00 N ATOM 0 H LYS A 88 6.381 -13.962 -1.876 1.00 0.00 H new ATOM 0 HA LYS A 88 8.612 -13.159 -3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.598 -13.078 -3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.724 -12.378 -5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.441 -15.313 -4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.053 -14.559 -5.907 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.550 -13.844 -5.985 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.795 -14.990 -4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.275 -16.145 -6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.755 -16.777 -6.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.899 -16.183 -8.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.543 -15.614 -7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.823 -14.559 -8.090 1.00 0.00 H new ATOM 196 N THR A 89 8.518 -10.705 -3.265 1.00 0.00 N ATOM 197 CA THR A 89 8.587 -9.299 -2.931 1.00 0.00 C ATOM 198 C THR A 89 7.720 -8.458 -3.868 1.00 0.00 C ATOM 199 O THR A 89 8.048 -8.276 -5.042 1.00 0.00 O ATOM 200 CB THR A 89 10.037 -8.794 -2.995 1.00 0.00 C ATOM 201 OG1 THR A 89 10.903 -9.859 -3.438 1.00 0.00 O ATOM 202 CG2 THR A 89 10.490 -8.302 -1.633 1.00 0.00 C ATOM 0 H THR A 89 9.254 -11.023 -3.896 1.00 0.00 H new ATOM 0 HA THR A 89 8.209 -9.192 -1.914 1.00 0.00 H new ATOM 0 HB THR A 89 10.087 -7.965 -3.701 1.00 0.00 H new ATOM 0 HG1 THR A 89 11.827 -9.534 -3.480 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.519 -7.948 -1.698 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.845 -7.485 -1.308 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.432 -9.119 -0.913 1.00 0.00 H new ATOM 210 N TYR A 90 6.613 -7.961 -3.350 1.00 0.00 N ATOM 211 CA TYR A 90 5.713 -7.133 -4.131 1.00 0.00 C ATOM 212 C TYR A 90 5.924 -5.669 -3.820 1.00 0.00 C ATOM 213 O TYR A 90 6.236 -5.302 -2.691 1.00 0.00 O ATOM 214 CB TYR A 90 4.257 -7.510 -3.861 1.00 0.00 C ATOM 215 CG TYR A 90 3.912 -8.913 -4.275 1.00 0.00 C ATOM 216 CD1 TYR A 90 3.481 -9.190 -5.562 1.00 0.00 C ATOM 217 CD2 TYR A 90 4.020 -9.961 -3.380 1.00 0.00 C ATOM 218 CE1 TYR A 90 3.167 -10.475 -5.944 1.00 0.00 C ATOM 219 CE2 TYR A 90 3.709 -11.248 -3.752 1.00 0.00 C ATOM 220 CZ TYR A 90 3.283 -11.504 -5.033 1.00 0.00 C ATOM 221 OH TYR A 90 2.974 -12.791 -5.404 1.00 0.00 O ATOM 0 H TYR A 90 6.314 -8.117 -2.387 1.00 0.00 H new ATOM 0 HA TYR A 90 5.934 -7.306 -5.184 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.052 -7.393 -2.797 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.606 -6.814 -4.390 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.390 -8.386 -6.277 1.00 0.00 H new ATOM 0 HD2 TYR A 90 4.354 -9.766 -2.372 1.00 0.00 H new ATOM 0 HE1 TYR A 90 2.832 -10.676 -6.951 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.799 -12.055 -3.040 1.00 0.00 H new ATOM 0 HH TYR A 90 3.112 -13.393 -4.643 1.00 0.00 H new ATOM 231 N HIS A 91 5.771 -4.845 -4.825 1.00 0.00 N ATOM 232 CA HIS A 91 5.908 -3.413 -4.664 1.00 0.00 C ATOM 233 C HIS A 91 4.546 -2.764 -4.543 1.00 0.00 C ATOM 234 O HIS A 91 3.579 -3.199 -5.177 1.00 0.00 O ATOM 235 CB HIS A 91 6.665 -2.797 -5.842 1.00 0.00 C ATOM 236 CG HIS A 91 8.096 -3.221 -5.942 1.00 0.00 C ATOM 237 ND1 HIS A 91 9.143 -2.348 -5.815 1.00 0.00 N ATOM 238 CD2 HIS A 91 8.649 -4.432 -6.177 1.00 0.00 C ATOM 239 CE1 HIS A 91 10.277 -2.993 -5.969 1.00 0.00 C ATOM 240 NE2 HIS A 91 10.005 -4.260 -6.189 1.00 0.00 N ATOM 0 H HIS A 91 5.549 -5.142 -5.775 1.00 0.00 H new ATOM 0 HA HIS A 91 6.477 -3.233 -3.752 1.00 0.00 H new ATOM 0 HB2 HIS A 91 6.154 -3.063 -6.767 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.625 -1.711 -5.757 1.00 0.00 H new ATOM 0 HD1 HIS A 91 9.056 -1.349 -5.629 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.119 -5.361 -6.327 1.00 0.00 H new ATOM 0 HE1 HIS A 91 11.264 -2.557 -5.923 1.00 0.00 H new ATOM 249 N VAL A 92 4.471 -1.742 -3.725 1.00 0.00 N ATOM 250 CA VAL A 92 3.254 -1.001 -3.528 1.00 0.00 C ATOM 251 C VAL A 92 3.485 0.446 -3.905 1.00 0.00 C ATOM 252 O VAL A 92 4.331 1.129 -3.314 1.00 0.00 O ATOM 253 CB VAL A 92 2.773 -1.059 -2.064 1.00 0.00 C ATOM 254 CG1 VAL A 92 1.441 -0.339 -1.905 1.00 0.00 C ATOM 255 CG2 VAL A 92 2.671 -2.499 -1.578 1.00 0.00 C ATOM 0 H VAL A 92 5.259 -1.401 -3.175 1.00 0.00 H new ATOM 0 HA VAL A 92 2.487 -1.452 -4.157 1.00 0.00 H new ATOM 0 HB VAL A 92 3.512 -0.549 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.120 -0.392 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.555 0.705 -2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.693 -0.814 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.330 -2.510 -0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.961 -3.044 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.649 -2.975 -1.643 1.00 0.00 H new ATOM 265 N VAL A 93 2.757 0.898 -4.889 1.00 0.00 N ATOM 266 CA VAL A 93 2.854 2.262 -5.358 1.00 0.00 C ATOM 267 C VAL A 93 1.486 2.904 -5.312 1.00 0.00 C ATOM 268 O VAL A 93 0.504 2.314 -5.772 1.00 0.00 O ATOM 269 CB VAL A 93 3.392 2.334 -6.810 1.00 0.00 C ATOM 270 CG1 VAL A 93 3.578 3.782 -7.250 1.00 0.00 C ATOM 271 CG2 VAL A 93 4.694 1.566 -6.942 1.00 0.00 C ATOM 0 H VAL A 93 2.075 0.332 -5.394 1.00 0.00 H new ATOM 0 HA VAL A 93 3.552 2.790 -4.708 1.00 0.00 H new ATOM 0 HB VAL A 93 2.654 1.871 -7.465 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.956 3.806 -8.272 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.621 4.302 -7.205 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.290 4.275 -6.588 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.052 1.631 -7.969 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.438 1.994 -6.271 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.528 0.521 -6.681 1.00 0.00 H new ATOM 281 N CYS A 94 1.411 4.094 -4.770 1.00 0.00 N ATOM 282 CA CYS A 94 0.148 4.783 -4.672 1.00 0.00 C ATOM 283 C CYS A 94 0.067 5.880 -5.709 1.00 0.00 C ATOM 284 O CYS A 94 0.819 6.856 -5.664 1.00 0.00 O ATOM 285 CB CYS A 94 -0.049 5.341 -3.271 1.00 0.00 C ATOM 286 SG CYS A 94 -0.110 4.055 -1.986 1.00 0.00 S ATOM 0 H CYS A 94 2.208 4.605 -4.390 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.654 4.071 -4.866 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.763 6.032 -3.045 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.974 5.916 -3.243 1.00 0.00 H new ATOM 291 N HIS A 95 -0.840 5.706 -6.651 1.00 0.00 N ATOM 292 CA HIS A 95 -1.011 6.652 -7.738 1.00 0.00 C ATOM 293 C HIS A 95 -1.816 7.860 -7.273 1.00 0.00 C ATOM 294 O HIS A 95 -1.753 8.927 -7.874 1.00 0.00 O ATOM 295 CB HIS A 95 -1.710 5.966 -8.917 1.00 0.00 C ATOM 296 CG HIS A 95 -1.628 6.728 -10.202 1.00 0.00 C ATOM 297 ND1 HIS A 95 -0.644 6.513 -11.132 1.00 0.00 N ATOM 298 CD2 HIS A 95 -2.414 7.703 -10.709 1.00 0.00 C ATOM 299 CE1 HIS A 95 -0.822 7.319 -12.152 1.00 0.00 C ATOM 300 NE2 HIS A 95 -1.891 8.055 -11.923 1.00 0.00 N ATOM 0 H HIS A 95 -1.476 4.909 -6.685 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.030 7.000 -8.061 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -1.269 4.980 -9.063 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.759 5.812 -8.664 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.292 8.126 -10.243 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -0.197 7.371 -13.032 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -2.266 8.769 -12.548 1.00 0.00 H new ATOM 309 N GLU A 96 -2.563 7.679 -6.202 1.00 0.00 N ATOM 310 CA GLU A 96 -3.377 8.735 -5.640 1.00 0.00 C ATOM 311 C GLU A 96 -3.745 8.389 -4.208 1.00 0.00 C ATOM 312 O GLU A 96 -3.407 7.303 -3.723 1.00 0.00 O ATOM 313 CB GLU A 96 -4.639 8.955 -6.486 1.00 0.00 C ATOM 314 CG GLU A 96 -5.504 7.716 -6.650 1.00 0.00 C ATOM 315 CD GLU A 96 -6.715 7.976 -7.511 1.00 0.00 C ATOM 316 OE1 GLU A 96 -7.622 8.709 -7.062 1.00 0.00 O ATOM 317 OE2 GLU A 96 -6.773 7.448 -8.645 1.00 0.00 O ATOM 0 H GLU A 96 -2.622 6.794 -5.697 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.805 9.663 -5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.237 9.743 -6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.344 9.311 -7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.910 6.917 -7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.826 7.367 -5.669 1.00 0.00 H new ATOM 324 N GLU A 97 -4.418 9.301 -3.533 1.00 0.00 N ATOM 325 CA GLU A 97 -4.818 9.088 -2.155 1.00 0.00 C ATOM 326 C GLU A 97 -6.039 8.175 -2.089 1.00 0.00 C ATOM 327 O GLU A 97 -6.919 8.236 -2.951 1.00 0.00 O ATOM 328 CB GLU A 97 -5.121 10.422 -1.452 1.00 0.00 C ATOM 329 CG GLU A 97 -3.946 11.400 -1.392 1.00 0.00 C ATOM 330 CD GLU A 97 -3.687 12.106 -2.710 1.00 0.00 C ATOM 331 OE1 GLU A 97 -4.407 13.084 -3.017 1.00 0.00 O ATOM 332 OE2 GLU A 97 -2.773 11.695 -3.439 1.00 0.00 O ATOM 0 H GLU A 97 -4.701 10.202 -3.919 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.987 8.609 -1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.952 10.906 -1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.453 10.213 -0.435 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.141 12.145 -0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.047 10.860 -1.094 1.00 0.00 H new ATOM 339 N GLY A 98 -6.094 7.343 -1.070 1.00 0.00 N ATOM 340 CA GLY A 98 -7.205 6.430 -0.917 1.00 0.00 C ATOM 341 C GLY A 98 -6.754 4.993 -0.761 1.00 0.00 C ATOM 342 O GLY A 98 -5.598 4.676 -1.026 1.00 0.00 O ATOM 0 H GLY A 98 -5.385 7.281 -0.339 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.793 6.720 -0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.860 6.510 -1.785 1.00 0.00 H new ATOM 346 N PRO A 99 -7.641 4.107 -0.300 1.00 0.00 N ATOM 347 CA PRO A 99 -7.328 2.694 -0.120 1.00 0.00 C ATOM 348 C PRO A 99 -7.549 1.857 -1.394 1.00 0.00 C ATOM 349 O PRO A 99 -8.538 2.037 -2.111 1.00 0.00 O ATOM 350 CB PRO A 99 -8.311 2.275 0.967 1.00 0.00 C ATOM 351 CG PRO A 99 -9.515 3.130 0.736 1.00 0.00 C ATOM 352 CD PRO A 99 -9.024 4.418 0.115 1.00 0.00 C ATOM 0 HA PRO A 99 -6.278 2.536 0.128 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.557 1.216 0.892 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -7.895 2.436 1.961 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.224 2.629 0.077 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.035 3.327 1.674 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.640 4.712 -0.735 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -9.052 5.242 0.828 1.00 0.00 H new ATOM 360 N ILE A 100 -6.620 0.950 -1.658 1.00 0.00 N ATOM 361 CA ILE A 100 -6.699 0.038 -2.804 1.00 0.00 C ATOM 362 C ILE A 100 -6.200 -1.355 -2.406 1.00 0.00 C ATOM 363 O ILE A 100 -5.462 -1.484 -1.437 1.00 0.00 O ATOM 364 CB ILE A 100 -5.902 0.568 -4.045 1.00 0.00 C ATOM 365 CG1 ILE A 100 -4.612 1.313 -3.627 1.00 0.00 C ATOM 366 CG2 ILE A 100 -6.784 1.455 -4.920 1.00 0.00 C ATOM 367 CD1 ILE A 100 -3.513 0.420 -3.086 1.00 0.00 C ATOM 0 H ILE A 100 -5.786 0.820 -1.086 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.747 -0.022 -3.098 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.599 -0.300 -4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.228 1.858 -4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.866 2.054 -2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.208 1.811 -5.775 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.641 0.881 -5.273 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.134 2.308 -4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.649 1.028 -2.819 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.874 -0.106 -2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.225 -0.305 -3.847 1.00 0.00 H new ATOM 379 N PRO A 101 -6.609 -2.421 -3.131 1.00 0.00 N ATOM 380 CA PRO A 101 -6.199 -3.803 -2.816 1.00 0.00 C ATOM 381 C PRO A 101 -4.695 -4.026 -2.972 1.00 0.00 C ATOM 382 O PRO A 101 -3.986 -3.211 -3.571 1.00 0.00 O ATOM 383 CB PRO A 101 -6.961 -4.644 -3.847 1.00 0.00 C ATOM 384 CG PRO A 101 -7.242 -3.701 -4.957 1.00 0.00 C ATOM 385 CD PRO A 101 -7.493 -2.376 -4.302 1.00 0.00 C ATOM 0 HA PRO A 101 -6.419 -4.057 -1.779 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.366 -5.491 -4.187 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.882 -5.049 -3.427 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.400 -3.645 -5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.108 -4.023 -5.536 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.247 -1.545 -4.963 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.538 -2.257 -4.016 1.00 0.00 H new ATOM 393 N HIS A 102 -4.223 -5.144 -2.457 1.00 0.00 N ATOM 394 CA HIS A 102 -2.818 -5.483 -2.510 1.00 0.00 C ATOM 395 C HIS A 102 -2.541 -6.333 -3.755 1.00 0.00 C ATOM 396 O HIS A 102 -3.204 -7.345 -3.976 1.00 0.00 O ATOM 397 CB HIS A 102 -2.420 -6.244 -1.233 1.00 0.00 C ATOM 398 CG HIS A 102 -0.952 -6.477 -1.086 1.00 0.00 C ATOM 399 ND1 HIS A 102 -0.328 -7.616 -1.523 1.00 0.00 N ATOM 400 CD2 HIS A 102 0.019 -5.699 -0.558 1.00 0.00 C ATOM 401 CE1 HIS A 102 0.960 -7.530 -1.285 1.00 0.00 C ATOM 402 NE2 HIS A 102 1.202 -6.380 -0.698 1.00 0.00 N ATOM 0 H HIS A 102 -4.803 -5.841 -1.991 1.00 0.00 H new ATOM 0 HA HIS A 102 -2.223 -4.572 -2.571 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.776 -5.686 -0.367 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -2.931 -7.207 -1.224 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -0.793 -8.409 -1.965 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -0.112 -4.725 -0.110 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.698 -8.280 -1.531 1.00 0.00 H new ATOM 411 N PRO A 103 -1.543 -5.941 -4.571 1.00 0.00 N ATOM 412 CA PRO A 103 -1.215 -6.633 -5.842 1.00 0.00 C ATOM 413 C PRO A 103 -0.755 -8.083 -5.645 1.00 0.00 C ATOM 414 O PRO A 103 -0.789 -8.889 -6.575 1.00 0.00 O ATOM 415 CB PRO A 103 -0.068 -5.788 -6.415 1.00 0.00 C ATOM 416 CG PRO A 103 0.511 -5.089 -5.237 1.00 0.00 C ATOM 417 CD PRO A 103 -0.650 -4.791 -4.337 1.00 0.00 C ATOM 0 HA PRO A 103 -2.089 -6.708 -6.489 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.676 -6.413 -6.909 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -0.432 -5.078 -7.157 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.248 -5.714 -4.733 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.021 -4.173 -5.536 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.346 -4.720 -3.293 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -1.130 -3.847 -4.594 1.00 0.00 H new ATOM 425 N GLY A 104 -0.333 -8.408 -4.436 1.00 0.00 N ATOM 426 CA GLY A 104 0.146 -9.751 -4.159 1.00 0.00 C ATOM 427 C GLY A 104 -0.911 -10.648 -3.544 1.00 0.00 C ATOM 428 O GLY A 104 -0.766 -11.867 -3.545 1.00 0.00 O ATOM 0 H GLY A 104 -0.312 -7.771 -3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.501 -10.201 -5.086 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.001 -9.693 -3.485 1.00 0.00 H new ATOM 432 N ASN A 105 -1.974 -10.042 -3.011 1.00 0.00 N ATOM 433 CA ASN A 105 -3.056 -10.796 -2.375 1.00 0.00 C ATOM 434 C ASN A 105 -4.254 -9.892 -2.093 1.00 0.00 C ATOM 435 O ASN A 105 -4.210 -9.053 -1.194 1.00 0.00 O ATOM 436 CB ASN A 105 -2.605 -11.571 -1.109 1.00 0.00 C ATOM 437 CG ASN A 105 -2.070 -10.717 0.026 1.00 0.00 C ATOM 438 OD1 ASN A 105 -1.536 -9.628 -0.182 1.00 0.00 O ATOM 439 ND2 ASN A 105 -2.199 -11.225 1.238 1.00 0.00 N ATOM 0 H ASN A 105 -2.109 -9.031 -3.007 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.365 -11.561 -3.088 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.451 -12.149 -0.738 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -1.834 -12.285 -1.397 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -1.849 -10.711 2.046 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -2.649 -12.132 1.366 1.00 0.00 H new ATOM 446 N VAL A 106 -5.293 -10.021 -2.905 1.00 0.00 N ATOM 447 CA VAL A 106 -6.533 -9.235 -2.753 1.00 0.00 C ATOM 448 C VAL A 106 -7.165 -9.326 -1.344 1.00 0.00 C ATOM 449 O VAL A 106 -8.056 -8.540 -1.011 1.00 0.00 O ATOM 450 CB VAL A 106 -7.581 -9.629 -3.813 1.00 0.00 C ATOM 451 CG1 VAL A 106 -7.019 -9.429 -5.208 1.00 0.00 C ATOM 452 CG2 VAL A 106 -8.031 -11.066 -3.618 1.00 0.00 C ATOM 0 H VAL A 106 -5.311 -10.670 -3.691 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.229 -8.199 -2.900 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.451 -8.984 -3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.769 -9.711 -5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -6.750 -8.382 -5.345 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.133 -10.051 -5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -8.770 -11.322 -4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.173 -11.732 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.474 -11.178 -2.628 1.00 0.00 H new ATOM 462 N HIS A 107 -6.708 -10.279 -0.527 1.00 0.00 N ATOM 463 CA HIS A 107 -7.200 -10.405 0.854 1.00 0.00 C ATOM 464 C HIS A 107 -6.609 -9.308 1.746 1.00 0.00 C ATOM 465 O HIS A 107 -6.903 -9.232 2.940 1.00 0.00 O ATOM 466 CB HIS A 107 -6.873 -11.785 1.442 1.00 0.00 C ATOM 467 CG HIS A 107 -7.637 -12.919 0.822 1.00 0.00 C ATOM 468 ND1 HIS A 107 -7.109 -14.178 0.661 1.00 0.00 N ATOM 469 CD2 HIS A 107 -8.900 -12.985 0.342 1.00 0.00 C ATOM 470 CE1 HIS A 107 -8.005 -14.965 0.109 1.00 0.00 C ATOM 471 NE2 HIS A 107 -9.102 -14.272 -0.093 1.00 0.00 N ATOM 0 H HIS A 107 -6.005 -10.970 -0.791 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.284 -10.292 0.823 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.806 -11.974 1.323 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -7.077 -11.768 2.513 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -9.616 -12.177 0.307 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -7.863 -16.007 -0.137 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -9.963 -14.631 -0.505 1.00 0.00 H new ATOM 480 N LYS A 108 -5.786 -8.457 1.153 1.00 0.00 N ATOM 481 CA LYS A 108 -5.172 -7.348 1.856 1.00 0.00 C ATOM 482 C LYS A 108 -5.273 -6.104 1.012 1.00 0.00 C ATOM 483 O LYS A 108 -5.416 -6.187 -0.209 1.00 0.00 O ATOM 484 CB LYS A 108 -3.699 -7.625 2.180 1.00 0.00 C ATOM 485 CG LYS A 108 -3.488 -8.760 3.160 1.00 0.00 C ATOM 486 CD LYS A 108 -2.253 -8.543 4.018 1.00 0.00 C ATOM 487 CE LYS A 108 -0.982 -8.461 3.188 1.00 0.00 C ATOM 488 NZ LYS A 108 0.224 -8.674 4.019 1.00 0.00 N ATOM 0 H LYS A 108 -5.526 -8.519 0.169 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.703 -7.212 2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.171 -7.854 1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.250 -6.719 2.587 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.364 -8.854 3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.391 -9.698 2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.369 -7.624 4.593 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.164 -9.359 4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.015 -9.208 2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.924 -7.486 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.072 -8.628 3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.277 -7.936 4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.172 -9.608 4.474 1.00 0.00 H new ATOM 502 N TYR A 109 -5.211 -4.960 1.647 1.00 0.00 N ATOM 503 CA TYR A 109 -5.272 -3.708 0.937 1.00 0.00 C ATOM 504 C TYR A 109 -4.340 -2.692 1.573 1.00 0.00 C ATOM 505 O TYR A 109 -3.820 -2.918 2.660 1.00 0.00 O ATOM 506 CB TYR A 109 -6.712 -3.184 0.866 1.00 0.00 C ATOM 507 CG TYR A 109 -7.239 -2.551 2.132 1.00 0.00 C ATOM 508 CD1 TYR A 109 -7.539 -3.312 3.258 1.00 0.00 C ATOM 509 CD2 TYR A 109 -7.459 -1.184 2.189 1.00 0.00 C ATOM 510 CE1 TYR A 109 -8.038 -2.722 4.400 1.00 0.00 C ATOM 511 CE2 TYR A 109 -7.955 -0.586 3.322 1.00 0.00 C ATOM 512 CZ TYR A 109 -8.244 -1.359 4.428 1.00 0.00 C ATOM 513 OH TYR A 109 -8.747 -0.768 5.563 1.00 0.00 O ATOM 0 H TYR A 109 -5.118 -4.871 2.659 1.00 0.00 H new ATOM 0 HA TYR A 109 -4.938 -3.876 -0.087 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.774 -2.451 0.062 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.368 -4.011 0.594 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -7.379 -4.380 3.237 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -7.236 -0.576 1.325 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -8.266 -3.324 5.267 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -8.118 0.481 3.347 1.00 0.00 H new ATOM 0 HH TYR A 109 -8.831 0.198 5.419 1.00 0.00 H new ATOM 523 N ILE A 110 -4.123 -1.590 0.902 1.00 0.00 N ATOM 524 CA ILE A 110 -3.253 -0.560 1.410 1.00 0.00 C ATOM 525 C ILE A 110 -3.984 0.769 1.430 1.00 0.00 C ATOM 526 O ILE A 110 -4.751 1.078 0.519 1.00 0.00 O ATOM 527 CB ILE A 110 -1.954 -0.396 0.560 1.00 0.00 C ATOM 528 CG1 ILE A 110 -1.302 -1.752 0.249 1.00 0.00 C ATOM 529 CG2 ILE A 110 -0.959 0.504 1.274 1.00 0.00 C ATOM 530 CD1 ILE A 110 -1.813 -2.399 -1.024 1.00 0.00 C ATOM 0 H ILE A 110 -4.541 -1.382 -0.005 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.964 -0.863 2.416 1.00 0.00 H new ATOM 0 HB ILE A 110 -2.241 0.064 -0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.223 -1.616 0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.477 -2.429 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -0.060 0.607 0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -1.405 1.486 1.431 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.698 0.066 2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.306 -3.352 -1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.887 -2.568 -0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.614 -1.743 -1.871 1.00 0.00 H new ATOM 542 N ILE A 111 -3.769 1.537 2.475 1.00 0.00 N ATOM 543 CA ILE A 111 -4.345 2.856 2.569 1.00 0.00 C ATOM 544 C ILE A 111 -3.297 3.859 2.158 1.00 0.00 C ATOM 545 O ILE A 111 -2.239 3.948 2.789 1.00 0.00 O ATOM 546 CB ILE A 111 -4.845 3.203 4.005 1.00 0.00 C ATOM 547 CG1 ILE A 111 -5.914 2.212 4.480 1.00 0.00 C ATOM 548 CG2 ILE A 111 -5.394 4.624 4.052 1.00 0.00 C ATOM 549 CD1 ILE A 111 -5.357 0.919 5.032 1.00 0.00 C ATOM 0 H ILE A 111 -3.196 1.267 3.275 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.215 2.886 1.913 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.990 3.129 4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.522 2.690 5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.577 1.982 3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.738 4.848 5.062 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.609 5.327 3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.228 4.715 3.356 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.178 0.274 5.346 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.774 0.416 4.261 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.717 1.134 5.888 1.00 0.00 H new ATOM 561 N CYS A 112 -3.562 4.592 1.108 1.00 0.00 N ATOM 562 CA CYS A 112 -2.612 5.556 0.615 1.00 0.00 C ATOM 563 C CYS A 112 -2.989 6.949 1.070 1.00 0.00 C ATOM 564 O CYS A 112 -4.101 7.413 0.826 1.00 0.00 O ATOM 565 CB CYS A 112 -2.544 5.502 -0.910 1.00 0.00 C ATOM 566 SG CYS A 112 -2.086 3.868 -1.576 1.00 0.00 S ATOM 0 H CYS A 112 -4.431 4.540 0.576 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.630 5.310 1.019 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -3.513 5.790 -1.317 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -1.821 6.240 -1.257 1.00 0.00 H new ATOM 571 N SER A 113 -2.076 7.606 1.742 1.00 0.00 N ATOM 572 CA SER A 113 -2.303 8.953 2.200 1.00 0.00 C ATOM 573 C SER A 113 -1.115 9.823 1.840 1.00 0.00 C ATOM 574 O SER A 113 0.035 9.379 1.911 1.00 0.00 O ATOM 575 CB SER A 113 -2.564 8.973 3.712 1.00 0.00 C ATOM 576 OG SER A 113 -1.507 8.349 4.432 1.00 0.00 O ATOM 0 H SER A 113 -1.162 7.225 1.985 1.00 0.00 H new ATOM 0 HA SER A 113 -3.189 9.353 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 113 -2.677 10.003 4.049 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.503 8.463 3.927 1.00 0.00 H new ATOM 0 HG SER A 113 -0.829 8.026 3.803 1.00 0.00 H new ATOM 582 N LYS A 114 -1.377 11.045 1.444 1.00 0.00 N ATOM 583 CA LYS A 114 -0.314 11.934 1.053 1.00 0.00 C ATOM 584 C LYS A 114 -0.246 13.127 1.985 1.00 0.00 C ATOM 585 O LYS A 114 -1.093 14.023 1.932 1.00 0.00 O ATOM 586 CB LYS A 114 -0.496 12.398 -0.393 1.00 0.00 C ATOM 587 CG LYS A 114 0.724 13.098 -0.967 1.00 0.00 C ATOM 588 CD LYS A 114 0.463 13.600 -2.374 1.00 0.00 C ATOM 589 CE LYS A 114 1.722 14.176 -2.996 1.00 0.00 C ATOM 590 NZ LYS A 114 1.449 14.809 -4.306 1.00 0.00 N ATOM 0 H LYS A 114 -2.314 11.444 1.385 1.00 0.00 H new ATOM 0 HA LYS A 114 0.626 11.386 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.735 11.535 -1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.349 13.074 -0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.000 13.935 -0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.570 12.410 -0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 114 0.091 12.782 -2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.316 14.362 -2.352 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.157 14.912 -2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.460 13.384 -3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 2.333 15.190 -4.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.058 14.101 -4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.764 15.582 -4.182 1.00 0.00 H new ATOM 604 N SER A 115 0.754 13.132 2.835 1.00 0.00 N ATOM 605 CA SER A 115 0.958 14.206 3.766 1.00 0.00 C ATOM 606 C SER A 115 1.818 15.284 3.119 1.00 0.00 C ATOM 607 O SER A 115 3.046 15.288 3.250 1.00 0.00 O ATOM 608 CB SER A 115 1.615 13.674 5.035 1.00 0.00 C ATOM 609 OG SER A 115 0.772 12.737 5.688 1.00 0.00 O ATOM 0 H SER A 115 1.448 12.387 2.897 1.00 0.00 H new ATOM 0 HA SER A 115 -0.003 14.644 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.566 13.202 4.787 1.00 0.00 H new ATOM 0 HB3 SER A 115 1.836 14.502 5.709 1.00 0.00 H new ATOM 0 HG SER A 115 1.274 11.915 5.867 1.00 0.00 H new ATOM 615 N GLY A 116 1.166 16.157 2.379 1.00 0.00 N ATOM 616 CA GLY A 116 1.868 17.202 1.681 1.00 0.00 C ATOM 617 C GLY A 116 2.604 16.648 0.485 1.00 0.00 C ATOM 618 O GLY A 116 2.003 16.402 -0.559 1.00 0.00 O ATOM 0 H GLY A 116 0.154 16.160 2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 116 1.162 17.967 1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 116 2.574 17.686 2.356 1.00 0.00 H new ATOM 622 N SER A 117 3.894 16.438 0.636 1.00 0.00 N ATOM 623 CA SER A 117 4.705 15.883 -0.425 1.00 0.00 C ATOM 624 C SER A 117 5.239 14.514 -0.007 1.00 0.00 C ATOM 625 O SER A 117 5.992 13.871 -0.741 1.00 0.00 O ATOM 626 CB SER A 117 5.858 16.826 -0.758 1.00 0.00 C ATOM 627 OG SER A 117 5.378 18.106 -1.148 1.00 0.00 O ATOM 0 H SER A 117 4.407 16.646 1.493 1.00 0.00 H new ATOM 0 HA SER A 117 4.090 15.764 -1.317 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.510 16.928 0.109 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.460 16.400 -1.561 1.00 0.00 H new ATOM 0 HG SER A 117 6.137 18.691 -1.354 1.00 0.00 H new ATOM 633 N LEU A 118 4.819 14.067 1.167 1.00 0.00 N ATOM 634 CA LEU A 118 5.289 12.837 1.737 1.00 0.00 C ATOM 635 C LEU A 118 4.199 11.781 1.698 1.00 0.00 C ATOM 636 O LEU A 118 3.115 11.986 2.230 1.00 0.00 O ATOM 637 CB LEU A 118 5.701 13.085 3.178 1.00 0.00 C ATOM 638 CG LEU A 118 6.918 13.985 3.392 1.00 0.00 C ATOM 639 CD1 LEU A 118 7.168 14.198 4.876 1.00 0.00 C ATOM 640 CD2 LEU A 118 8.151 13.391 2.726 1.00 0.00 C ATOM 0 H LEU A 118 4.138 14.559 1.746 1.00 0.00 H new ATOM 0 HA LEU A 118 6.141 12.480 1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 118 4.854 13.525 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.902 12.122 3.646 1.00 0.00 H new ATOM 0 HG LEU A 118 6.712 14.952 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 118 8.038 14.841 5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.295 14.669 5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 118 7.350 13.236 5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 118 9.005 14.048 2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 118 8.359 12.410 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.973 13.289 1.656 1.00 0.00 H new ATOM 652 N TRP A 119 4.478 10.659 1.071 1.00 0.00 N ATOM 653 CA TRP A 119 3.497 9.591 1.004 1.00 0.00 C ATOM 654 C TRP A 119 3.597 8.673 2.210 1.00 0.00 C ATOM 655 O TRP A 119 4.683 8.206 2.564 1.00 0.00 O ATOM 656 CB TRP A 119 3.686 8.759 -0.266 1.00 0.00 C ATOM 657 CG TRP A 119 3.214 9.423 -1.517 1.00 0.00 C ATOM 658 CD1 TRP A 119 3.954 10.174 -2.379 1.00 0.00 C ATOM 659 CD2 TRP A 119 1.889 9.381 -2.053 1.00 0.00 C ATOM 660 NE1 TRP A 119 3.171 10.601 -3.421 1.00 0.00 N ATOM 661 CE2 TRP A 119 1.897 10.130 -3.244 1.00 0.00 C ATOM 662 CE3 TRP A 119 0.695 8.783 -1.641 1.00 0.00 C ATOM 663 CZ2 TRP A 119 0.760 10.294 -4.028 1.00 0.00 C ATOM 664 CZ3 TRP A 119 -0.433 8.947 -2.418 1.00 0.00 C ATOM 665 CH2 TRP A 119 -0.393 9.697 -3.599 1.00 0.00 C ATOM 0 H TRP A 119 5.363 10.461 0.605 1.00 0.00 H new ATOM 0 HA TRP A 119 2.513 10.060 0.993 1.00 0.00 H new ATOM 0 HB2 TRP A 119 4.744 8.519 -0.374 1.00 0.00 H new ATOM 0 HB3 TRP A 119 3.155 7.814 -0.149 1.00 0.00 H new ATOM 0 HD1 TRP A 119 5.003 10.400 -2.260 1.00 0.00 H new ATOM 0 HE1 TRP A 119 3.487 11.176 -4.202 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.656 8.203 -0.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.787 10.871 -4.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.362 8.489 -2.110 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.294 9.807 -4.185 1.00 0.00 H new ATOM 676 N TYR A 120 2.467 8.416 2.830 1.00 0.00 N ATOM 677 CA TYR A 120 2.384 7.462 3.917 1.00 0.00 C ATOM 678 C TYR A 120 1.372 6.394 3.577 1.00 0.00 C ATOM 679 O TYR A 120 0.225 6.697 3.237 1.00 0.00 O ATOM 680 CB TYR A 120 1.999 8.142 5.228 1.00 0.00 C ATOM 681 CG TYR A 120 3.083 9.019 5.811 1.00 0.00 C ATOM 682 CD1 TYR A 120 4.046 8.487 6.658 1.00 0.00 C ATOM 683 CD2 TYR A 120 3.141 10.374 5.521 1.00 0.00 C ATOM 684 CE1 TYR A 120 5.036 9.281 7.199 1.00 0.00 C ATOM 685 CE2 TYR A 120 4.128 11.176 6.060 1.00 0.00 C ATOM 686 CZ TYR A 120 5.072 10.624 6.897 1.00 0.00 C ATOM 687 OH TYR A 120 6.055 11.422 7.442 1.00 0.00 O ATOM 0 H TYR A 120 1.580 8.861 2.596 1.00 0.00 H new ATOM 0 HA TYR A 120 3.367 7.011 4.049 1.00 0.00 H new ATOM 0 HB2 TYR A 120 1.107 8.747 5.063 1.00 0.00 H new ATOM 0 HB3 TYR A 120 1.734 7.377 5.958 1.00 0.00 H new ATOM 0 HD1 TYR A 120 4.020 7.434 6.897 1.00 0.00 H new ATOM 0 HD2 TYR A 120 2.403 10.809 4.863 1.00 0.00 H new ATOM 0 HE1 TYR A 120 5.778 8.852 7.856 1.00 0.00 H new ATOM 0 HE2 TYR A 120 4.159 12.230 5.826 1.00 0.00 H new ATOM 0 HH TYR A 120 5.940 12.343 7.128 1.00 0.00 H new ATOM 697 N ILE A 121 1.792 5.156 3.642 1.00 0.00 N ATOM 698 CA ILE A 121 0.915 4.054 3.315 1.00 0.00 C ATOM 699 C ILE A 121 0.843 3.058 4.457 1.00 0.00 C ATOM 700 O ILE A 121 1.723 3.018 5.320 1.00 0.00 O ATOM 701 CB ILE A 121 1.359 3.338 1.998 1.00 0.00 C ATOM 702 CG1 ILE A 121 2.694 2.591 2.171 1.00 0.00 C ATOM 703 CG2 ILE A 121 1.467 4.339 0.862 1.00 0.00 C ATOM 704 CD1 ILE A 121 2.540 1.145 2.603 1.00 0.00 C ATOM 0 H ILE A 121 2.735 4.883 3.918 1.00 0.00 H new ATOM 0 HA ILE A 121 -0.080 4.470 3.154 1.00 0.00 H new ATOM 0 HB ILE A 121 0.595 2.599 1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.241 2.622 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.300 3.117 2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.777 3.825 -0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 121 0.498 4.811 0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.204 5.101 1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 121 3.525 0.688 2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 121 2.022 1.105 3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 121 1.962 0.602 1.856 1.00 0.00 H new ATOM 716 N THR A 122 -0.214 2.287 4.484 1.00 0.00 N ATOM 717 CA THR A 122 -0.383 1.253 5.481 1.00 0.00 C ATOM 718 C THR A 122 -1.102 0.062 4.868 1.00 0.00 C ATOM 719 O THR A 122 -2.208 0.202 4.354 1.00 0.00 O ATOM 720 CB THR A 122 -1.181 1.780 6.695 1.00 0.00 C ATOM 721 OG1 THR A 122 -0.560 2.974 7.192 1.00 0.00 O ATOM 722 CG2 THR A 122 -1.229 0.740 7.807 1.00 0.00 C ATOM 0 H THR A 122 -0.983 2.356 3.817 1.00 0.00 H new ATOM 0 HA THR A 122 0.603 0.945 5.828 1.00 0.00 H new ATOM 0 HB THR A 122 -2.200 1.993 6.372 1.00 0.00 H new ATOM 0 HG1 THR A 122 -1.066 3.310 7.961 1.00 0.00 H new ATOM 0 HG21 THR A 122 -1.796 1.135 8.650 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.711 -0.165 7.438 1.00 0.00 H new ATOM 0 HG23 THR A 122 -0.215 0.506 8.130 1.00 0.00 H new ATOM 730 N VAL A 123 -0.472 -1.102 4.907 1.00 0.00 N ATOM 731 CA VAL A 123 -1.057 -2.293 4.326 1.00 0.00 C ATOM 732 C VAL A 123 -1.828 -3.087 5.379 1.00 0.00 C ATOM 733 O VAL A 123 -1.248 -3.710 6.265 1.00 0.00 O ATOM 734 CB VAL A 123 0.012 -3.186 3.619 1.00 0.00 C ATOM 735 CG1 VAL A 123 1.190 -3.488 4.541 1.00 0.00 C ATOM 736 CG2 VAL A 123 -0.616 -4.477 3.098 1.00 0.00 C ATOM 0 H VAL A 123 0.443 -1.244 5.335 1.00 0.00 H new ATOM 0 HA VAL A 123 -1.759 -1.969 3.558 1.00 0.00 H new ATOM 0 HB VAL A 123 0.397 -2.625 2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.913 -4.111 4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.666 -2.554 4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.833 -4.014 5.426 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.148 -5.082 2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.044 -5.035 3.931 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -1.401 -4.236 2.381 1.00 0.00 H new ATOM 746 N MET A 124 -3.134 -3.026 5.290 1.00 0.00 N ATOM 747 CA MET A 124 -3.997 -3.702 6.233 1.00 0.00 C ATOM 748 C MET A 124 -4.647 -4.919 5.599 1.00 0.00 C ATOM 749 O MET A 124 -5.095 -4.869 4.453 1.00 0.00 O ATOM 750 CB MET A 124 -5.086 -2.751 6.742 1.00 0.00 C ATOM 751 CG MET A 124 -4.573 -1.478 7.409 1.00 0.00 C ATOM 752 SD MET A 124 -4.151 -1.673 9.163 1.00 0.00 S ATOM 753 CE MET A 124 -2.657 -2.662 9.087 1.00 0.00 C ATOM 0 H MET A 124 -3.630 -2.508 4.564 1.00 0.00 H new ATOM 0 HA MET A 124 -3.381 -4.028 7.071 1.00 0.00 H new ATOM 0 HB2 MET A 124 -5.724 -2.472 5.903 1.00 0.00 H new ATOM 0 HB3 MET A 124 -5.713 -3.289 7.454 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.691 -1.130 6.871 1.00 0.00 H new ATOM 0 HG3 MET A 124 -5.331 -0.701 7.314 1.00 0.00 H new ATOM 0 HE1 MET A 124 -2.028 -2.438 9.949 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.920 -3.720 9.094 1.00 0.00 H new ATOM 0 HE3 MET A 124 -2.113 -2.430 8.171 1.00 0.00 H new ATOM 763 N PRO A 125 -4.685 -6.034 6.323 1.00 0.00 N ATOM 764 CA PRO A 125 -5.351 -7.237 5.863 1.00 0.00 C ATOM 765 C PRO A 125 -6.845 -7.168 6.138 1.00 0.00 C ATOM 766 O PRO A 125 -7.268 -6.678 7.192 1.00 0.00 O ATOM 767 CB PRO A 125 -4.704 -8.332 6.708 1.00 0.00 C ATOM 768 CG PRO A 125 -4.363 -7.657 7.993 1.00 0.00 C ATOM 769 CD PRO A 125 -4.061 -6.218 7.651 1.00 0.00 C ATOM 0 HA PRO A 125 -5.250 -7.398 4.790 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -5.387 -9.167 6.867 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -3.815 -8.735 6.223 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -5.191 -7.723 8.698 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -3.504 -8.133 8.465 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -4.481 -5.535 8.389 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -2.988 -6.031 7.618 1.00 0.00 H new ATOM 777 N CYS A 126 -7.644 -7.621 5.202 1.00 0.00 N ATOM 778 CA CYS A 126 -9.068 -7.631 5.411 1.00 0.00 C ATOM 779 C CYS A 126 -9.488 -8.988 5.935 1.00 0.00 C ATOM 780 O CYS A 126 -8.646 -9.867 6.146 1.00 0.00 O ATOM 781 CB CYS A 126 -9.829 -7.304 4.129 1.00 0.00 C ATOM 782 SG CYS A 126 -11.508 -6.657 4.443 1.00 0.00 S ATOM 0 H CYS A 126 -7.336 -7.983 4.300 1.00 0.00 H new ATOM 0 HA CYS A 126 -9.312 -6.860 6.141 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -9.264 -6.570 3.555 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -9.900 -8.202 3.516 1.00 0.00 H new ATOM 787 N SER A 127 -10.772 -9.160 6.149 1.00 0.00 N ATOM 788 CA SER A 127 -11.292 -10.404 6.640 1.00 0.00 C ATOM 789 C SER A 127 -11.041 -11.520 5.632 1.00 0.00 C ATOM 790 O SER A 127 -11.236 -11.338 4.421 1.00 0.00 O ATOM 791 CB SER A 127 -12.781 -10.254 6.904 1.00 0.00 C ATOM 792 OG SER A 127 -13.028 -9.117 7.719 1.00 0.00 O ATOM 0 H SER A 127 -11.478 -8.442 5.987 1.00 0.00 H new ATOM 0 HA SER A 127 -10.785 -10.666 7.569 1.00 0.00 H new ATOM 0 HB2 SER A 127 -13.316 -10.155 5.959 1.00 0.00 H new ATOM 0 HB3 SER A 127 -13.162 -11.150 7.394 1.00 0.00 H new ATOM 0 HG SER A 127 -13.991 -9.032 7.879 1.00 0.00 H new ATOM 798 N ILE A 128 -10.587 -12.657 6.118 1.00 0.00 N ATOM 799 CA ILE A 128 -10.351 -13.790 5.256 1.00 0.00 C ATOM 800 C ILE A 128 -11.673 -14.222 4.630 1.00 0.00 C ATOM 801 O ILE A 128 -12.716 -14.198 5.284 1.00 0.00 O ATOM 802 CB ILE A 128 -9.666 -14.982 6.011 1.00 0.00 C ATOM 803 CG1 ILE A 128 -8.195 -14.653 6.339 1.00 0.00 C ATOM 804 CG2 ILE A 128 -9.734 -16.266 5.192 1.00 0.00 C ATOM 805 CD1 ILE A 128 -8.000 -13.571 7.379 1.00 0.00 C ATOM 0 H ILE A 128 -10.375 -12.818 7.103 1.00 0.00 H new ATOM 0 HA ILE A 128 -9.656 -13.488 4.473 1.00 0.00 H new ATOM 0 HB ILE A 128 -10.212 -15.133 6.942 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -7.703 -15.562 6.685 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -7.693 -14.349 5.421 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -9.251 -17.074 5.741 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -10.777 -16.525 5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -9.223 -16.118 4.241 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -6.934 -13.411 7.542 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -8.457 -12.645 7.031 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -8.468 -13.877 8.315 1.00 0.00 H new ATOM 817 N GLY A 129 -11.624 -14.605 3.378 1.00 0.00 N ATOM 818 CA GLY A 129 -12.836 -14.932 2.670 1.00 0.00 C ATOM 819 C GLY A 129 -13.421 -13.739 1.935 1.00 0.00 C ATOM 820 O GLY A 129 -14.356 -13.890 1.144 1.00 0.00 O ATOM 0 H GLY A 129 -10.767 -14.697 2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -12.632 -15.730 1.956 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -13.572 -15.317 3.376 1.00 0.00 H new ATOM 824 N THR A 130 -12.898 -12.549 2.204 1.00 0.00 N ATOM 825 CA THR A 130 -13.344 -11.358 1.507 1.00 0.00 C ATOM 826 C THR A 130 -12.154 -10.655 0.871 1.00 0.00 C ATOM 827 O THR A 130 -11.023 -10.788 1.346 1.00 0.00 O ATOM 828 CB THR A 130 -14.113 -10.374 2.437 1.00 0.00 C ATOM 829 OG1 THR A 130 -13.301 -9.976 3.548 1.00 0.00 O ATOM 830 CG2 THR A 130 -15.388 -11.011 2.959 1.00 0.00 C ATOM 0 H THR A 130 -12.168 -12.387 2.898 1.00 0.00 H new ATOM 0 HA THR A 130 -14.042 -11.678 0.734 1.00 0.00 H new ATOM 0 HB THR A 130 -14.364 -9.495 1.844 1.00 0.00 H new ATOM 0 HG1 THR A 130 -12.467 -10.491 3.545 1.00 0.00 H new ATOM 0 HG21 THR A 130 -15.909 -10.305 3.606 1.00 0.00 H new ATOM 0 HG22 THR A 130 -16.032 -11.277 2.120 1.00 0.00 H new ATOM 0 HG23 THR A 130 -15.141 -11.909 3.526 1.00 0.00 H new ATOM 838 N LYS A 131 -12.399 -9.929 -0.199 1.00 0.00 N ATOM 839 CA LYS A 131 -11.341 -9.241 -0.912 1.00 0.00 C ATOM 840 C LYS A 131 -11.681 -7.773 -1.070 1.00 0.00 C ATOM 841 O LYS A 131 -12.852 -7.412 -1.200 1.00 0.00 O ATOM 842 CB LYS A 131 -11.113 -9.884 -2.283 1.00 0.00 C ATOM 843 CG LYS A 131 -12.346 -9.906 -3.177 1.00 0.00 C ATOM 844 CD LYS A 131 -12.059 -10.615 -4.488 1.00 0.00 C ATOM 845 CE LYS A 131 -13.279 -10.636 -5.393 1.00 0.00 C ATOM 846 NZ LYS A 131 -12.994 -11.294 -6.697 1.00 0.00 N ATOM 0 H LYS A 131 -13.329 -9.799 -0.598 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.422 -9.326 -0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -10.316 -9.346 -2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -10.765 -10.907 -2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -13.164 -10.408 -2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -12.673 -8.885 -3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -11.235 -10.116 -4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -11.737 -11.637 -4.287 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -14.093 -11.161 -4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -13.618 -9.615 -5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -13.852 -11.287 -7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -12.235 -10.779 -7.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -12.695 -12.276 -6.532 1.00 0.00 H new ATOM 860 N PHE A 132 -10.670 -6.934 -1.048 1.00 0.00 N ATOM 861 CA PHE A 132 -10.871 -5.504 -1.168 1.00 0.00 C ATOM 862 C PHE A 132 -10.968 -5.089 -2.636 1.00 0.00 C ATOM 863 O PHE A 132 -10.142 -5.487 -3.461 1.00 0.00 O ATOM 864 CB PHE A 132 -9.732 -4.755 -0.475 1.00 0.00 C ATOM 865 CG PHE A 132 -10.004 -3.293 -0.247 1.00 0.00 C ATOM 866 CD1 PHE A 132 -10.678 -2.874 0.888 1.00 0.00 C ATOM 867 CD2 PHE A 132 -9.580 -2.341 -1.157 1.00 0.00 C ATOM 868 CE1 PHE A 132 -10.922 -1.534 1.109 1.00 0.00 C ATOM 869 CE2 PHE A 132 -9.822 -1.000 -0.942 1.00 0.00 C ATOM 870 CZ PHE A 132 -10.494 -0.597 0.193 1.00 0.00 C ATOM 0 H PHE A 132 -9.695 -7.217 -0.948 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.811 -5.245 -0.681 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -9.531 -5.230 0.485 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -8.828 -4.856 -1.075 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -11.016 -3.604 1.608 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -9.053 -2.652 -2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -11.448 -1.220 1.999 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -9.486 -0.267 -1.661 1.00 0.00 H new ATOM 0 HZ PHE A 132 -10.685 0.452 0.364 1.00 0.00 H new ATOM 880 N ASP A 133 -11.984 -4.306 -2.952 1.00 0.00 N ATOM 881 CA ASP A 133 -12.198 -3.816 -4.312 1.00 0.00 C ATOM 882 C ASP A 133 -11.633 -2.408 -4.451 1.00 0.00 C ATOM 883 O ASP A 133 -11.861 -1.563 -3.594 1.00 0.00 O ATOM 884 CB ASP A 133 -13.696 -3.825 -4.654 1.00 0.00 C ATOM 885 CG ASP A 133 -13.974 -3.442 -6.097 1.00 0.00 C ATOM 886 OD1 ASP A 133 -13.899 -4.324 -6.975 1.00 0.00 O ATOM 887 OD2 ASP A 133 -14.281 -2.259 -6.361 1.00 0.00 O ATOM 0 H ASP A 133 -12.684 -3.990 -2.280 1.00 0.00 H new ATOM 0 HA ASP A 133 -11.681 -4.475 -5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -14.102 -4.818 -4.462 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -14.219 -3.134 -3.993 1.00 0.00 H new ATOM 892 N PRO A 134 -10.883 -2.140 -5.534 1.00 0.00 N ATOM 893 CA PRO A 134 -10.235 -0.837 -5.749 1.00 0.00 C ATOM 894 C PRO A 134 -11.218 0.307 -6.014 1.00 0.00 C ATOM 895 O PRO A 134 -11.029 1.416 -5.525 1.00 0.00 O ATOM 896 CB PRO A 134 -9.349 -1.073 -6.979 1.00 0.00 C ATOM 897 CG PRO A 134 -9.957 -2.238 -7.684 1.00 0.00 C ATOM 898 CD PRO A 134 -10.601 -3.089 -6.627 1.00 0.00 C ATOM 0 HA PRO A 134 -9.692 -0.522 -4.858 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -9.326 -0.193 -7.622 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.320 -1.283 -6.688 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -10.693 -1.907 -8.417 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -9.198 -2.802 -8.227 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -11.513 -3.560 -6.993 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -9.938 -3.890 -6.300 1.00 0.00 H new ATOM 906 N ILE A 135 -12.245 0.038 -6.799 1.00 0.00 N ATOM 907 CA ILE A 135 -13.218 1.060 -7.155 1.00 0.00 C ATOM 908 C ILE A 135 -14.243 1.278 -6.044 1.00 0.00 C ATOM 909 O ILE A 135 -14.465 2.411 -5.612 1.00 0.00 O ATOM 910 CB ILE A 135 -13.930 0.731 -8.504 1.00 0.00 C ATOM 911 CG1 ILE A 135 -12.997 1.011 -9.697 1.00 0.00 C ATOM 912 CG2 ILE A 135 -15.227 1.521 -8.654 1.00 0.00 C ATOM 913 CD1 ILE A 135 -11.754 0.141 -9.757 1.00 0.00 C ATOM 0 H ILE A 135 -12.429 -0.880 -7.204 1.00 0.00 H new ATOM 0 HA ILE A 135 -12.664 1.990 -7.285 1.00 0.00 H new ATOM 0 HB ILE A 135 -14.177 -0.331 -8.494 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -13.561 0.876 -10.620 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -12.689 2.056 -9.661 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -15.699 1.269 -9.604 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -15.902 1.270 -7.836 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -15.008 2.588 -8.630 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -11.161 0.413 -10.631 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -11.161 0.291 -8.855 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -12.046 -0.907 -9.829 1.00 0.00 H new ATOM 925 N SER A 136 -14.864 0.203 -5.583 1.00 0.00 N ATOM 926 CA SER A 136 -15.856 0.291 -4.524 1.00 0.00 C ATOM 927 C SER A 136 -15.191 0.716 -3.216 1.00 0.00 C ATOM 928 O SER A 136 -15.781 1.437 -2.406 1.00 0.00 O ATOM 929 CB SER A 136 -16.545 -1.062 -4.350 1.00 0.00 C ATOM 930 OG SER A 136 -16.802 -1.668 -5.614 1.00 0.00 O ATOM 0 H SER A 136 -14.697 -0.743 -5.927 1.00 0.00 H new ATOM 0 HA SER A 136 -16.602 1.038 -4.794 1.00 0.00 H new ATOM 0 HB2 SER A 136 -15.918 -1.719 -3.748 1.00 0.00 H new ATOM 0 HB3 SER A 136 -17.482 -0.931 -3.808 1.00 0.00 H new ATOM 0 HG SER A 136 -15.994 -2.125 -5.928 1.00 0.00 H new ATOM 936 N ARG A 137 -13.959 0.245 -3.027 1.00 0.00 N ATOM 937 CA ARG A 137 -13.143 0.563 -1.858 1.00 0.00 C ATOM 938 C ARG A 137 -13.753 -0.027 -0.605 1.00 0.00 C ATOM 939 O ARG A 137 -14.048 0.679 0.368 1.00 0.00 O ATOM 940 CB ARG A 137 -12.907 2.073 -1.713 1.00 0.00 C ATOM 941 CG ARG A 137 -12.403 2.723 -2.991 1.00 0.00 C ATOM 942 CD ARG A 137 -11.837 4.102 -2.741 1.00 0.00 C ATOM 943 NE ARG A 137 -12.790 5.003 -2.100 1.00 0.00 N ATOM 944 CZ ARG A 137 -12.489 6.242 -1.705 1.00 0.00 C ATOM 945 NH1 ARG A 137 -11.270 6.733 -1.925 1.00 0.00 N ATOM 946 NH2 ARG A 137 -13.405 6.991 -1.105 1.00 0.00 N ATOM 0 H ARG A 137 -13.495 -0.376 -3.690 1.00 0.00 H new ATOM 0 HA ARG A 137 -12.164 0.107 -2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -13.838 2.553 -1.411 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.185 2.247 -0.915 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -11.636 2.092 -3.440 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -13.220 2.791 -3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -10.949 4.016 -2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -11.518 4.535 -3.689 1.00 0.00 H new ATOM 0 HE ARG A 137 -13.740 4.667 -1.945 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -10.567 6.162 -2.395 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -11.039 7.680 -1.623 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -14.342 6.620 -0.945 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -13.173 7.937 -0.804 1.00 0.00 H new ATOM 960 N ASN A 138 -13.949 -1.326 -0.650 1.00 0.00 N ATOM 961 CA ASN A 138 -14.498 -2.088 0.453 1.00 0.00 C ATOM 962 C ASN A 138 -14.180 -3.555 0.238 1.00 0.00 C ATOM 963 O ASN A 138 -13.627 -3.920 -0.798 1.00 0.00 O ATOM 964 CB ASN A 138 -16.021 -1.889 0.560 1.00 0.00 C ATOM 965 CG ASN A 138 -16.797 -2.519 -0.594 1.00 0.00 C ATOM 966 OD1 ASN A 138 -16.311 -2.612 -1.718 1.00 0.00 O ATOM 967 ND2 ASN A 138 -18.010 -2.948 -0.314 1.00 0.00 N ATOM 0 H ASN A 138 -13.728 -1.894 -1.468 1.00 0.00 H new ATOM 0 HA ASN A 138 -14.051 -1.739 1.384 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -16.371 -2.317 1.500 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -16.239 -0.822 0.595 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -18.581 -3.375 -1.043 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -18.379 -2.853 0.632 1.00 0.00 H new ATOM 974 N CYS A 139 -14.514 -4.386 1.196 1.00 0.00 N ATOM 975 CA CYS A 139 -14.264 -5.809 1.067 1.00 0.00 C ATOM 976 C CYS A 139 -15.544 -6.553 0.722 1.00 0.00 C ATOM 977 O CYS A 139 -16.565 -6.413 1.403 1.00 0.00 O ATOM 978 CB CYS A 139 -13.645 -6.371 2.343 1.00 0.00 C ATOM 979 SG CYS A 139 -12.003 -5.694 2.736 1.00 0.00 S ATOM 0 H CYS A 139 -14.958 -4.107 2.071 1.00 0.00 H new ATOM 0 HA CYS A 139 -13.554 -5.953 0.252 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -14.317 -6.172 3.178 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -13.566 -7.454 2.249 1.00 0.00 H new ATOM 984 N VAL A 140 -15.487 -7.327 -0.345 1.00 0.00 N ATOM 985 CA VAL A 140 -16.625 -8.102 -0.803 1.00 0.00 C ATOM 986 C VAL A 140 -16.284 -9.588 -0.811 1.00 0.00 C ATOM 987 O VAL A 140 -15.124 -9.960 -0.617 1.00 0.00 O ATOM 988 CB VAL A 140 -17.073 -7.673 -2.225 1.00 0.00 C ATOM 989 CG1 VAL A 140 -17.542 -6.225 -2.229 1.00 0.00 C ATOM 990 CG2 VAL A 140 -15.945 -7.874 -3.234 1.00 0.00 C ATOM 0 H VAL A 140 -14.651 -7.436 -0.919 1.00 0.00 H new ATOM 0 HA VAL A 140 -17.446 -7.915 -0.111 1.00 0.00 H new ATOM 0 HB VAL A 140 -17.911 -8.305 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -17.851 -5.946 -3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -18.385 -6.114 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.726 -5.577 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -16.283 -7.566 -4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -15.084 -7.273 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -15.662 -8.926 -3.258 1.00 0.00 H new ATOM 1000 N LEU A 141 -17.299 -10.423 -1.018 1.00 0.00 N ATOM 1001 CA LEU A 141 -17.125 -11.877 -1.079 1.00 0.00 C ATOM 1002 C LEU A 141 -16.010 -12.248 -2.058 1.00 0.00 C ATOM 1003 O LEU A 141 -16.098 -11.966 -3.263 1.00 0.00 O ATOM 1004 CB LEU A 141 -18.462 -12.547 -1.483 1.00 0.00 C ATOM 1005 CG LEU A 141 -18.520 -14.092 -1.489 1.00 0.00 C ATOM 1006 CD1 LEU A 141 -17.938 -14.665 -2.771 1.00 0.00 C ATOM 1007 CD2 LEU A 141 -17.807 -14.667 -0.273 1.00 0.00 C ATOM 0 H LEU A 141 -18.263 -10.115 -1.148 1.00 0.00 H new ATOM 0 HA LEU A 141 -16.835 -12.241 -0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -19.236 -12.185 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -18.723 -12.198 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 141 -19.570 -14.381 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -17.995 -15.753 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -18.505 -14.295 -3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -16.896 -14.358 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -17.862 -15.755 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -16.762 -14.356 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -18.286 -14.302 0.636 1.00 0.00 H new ATOM 1019 N ASP A 142 -14.958 -12.859 -1.532 1.00 0.00 N ATOM 1020 CA ASP A 142 -13.833 -13.271 -2.342 1.00 0.00 C ATOM 1021 C ASP A 142 -14.062 -14.626 -2.962 1.00 0.00 C ATOM 1022 O ASP A 142 -13.942 -15.662 -2.300 1.00 0.00 O ATOM 1023 CB ASP A 142 -12.546 -13.292 -1.521 1.00 0.00 C ATOM 1024 CG ASP A 142 -11.416 -14.017 -2.228 1.00 0.00 C ATOM 1025 OD1 ASP A 142 -10.926 -13.514 -3.250 1.00 0.00 O ATOM 1026 OD2 ASP A 142 -11.001 -15.093 -1.744 1.00 0.00 O ATOM 0 H ASP A 142 -14.865 -13.079 -0.540 1.00 0.00 H new ATOM 0 HA ASP A 142 -13.732 -12.539 -3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -12.239 -12.268 -1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -12.738 -13.774 -0.562 1.00 0.00 H new