USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 716 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 LYS NZ :NH3+ -159:sc= -0.125 (180deg=-0.545) USER MOD Set 1.2: A 71 GLN : amide:sc= -0.104 K(o=-0.23,f=-1.8) USER MOD Set 2.1: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.00522 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 79:sc= 0.846 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.913 USER MOD Single : A 31 THR OG1 : rot -59:sc= 0.772 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0782 K(o=-0.078,f=-1.1) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.688 USER MOD Single : A 47 CYS SG : rot -110:sc= -1.19 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -119:sc= -1.53 (180deg=-3.64!) USER MOD Single : A 70 MET CE :methyl -110:sc= -0.0264 (180deg=-3.83!) USER MOD Single : A 72 GLN : amide:sc= -2.22 K(o=-2.2,f=-0.22) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.446 X(o=0.45,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0.219 X(o=0.22,f=0) USER MOD Single : A 90 GLN : amide:sc= -4.43! C(o=-4.4!,f=-7!) USER MOD Single : A 94 GLN : amide:sc= -0.337 X(o=-0.34,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 120:sc= -4.19! USER MOD Single : A 99 SER OG : rot 180:sc= 0.0799 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 18 2.971 10.788 -6.654 1.00 0.00 N ATOM 127 CA PHE A 18 2.162 9.599 -6.902 1.00 0.00 C ATOM 128 C PHE A 18 2.929 8.588 -7.750 1.00 0.00 C ATOM 129 O PHE A 18 2.752 7.379 -7.601 1.00 0.00 O ATOM 130 CB PHE A 18 0.857 9.983 -7.603 1.00 0.00 C ATOM 131 CG PHE A 18 0.037 8.800 -8.032 1.00 0.00 C ATOM 132 CD1 PHE A 18 -0.638 8.032 -7.096 1.00 0.00 C ATOM 133 CD2 PHE A 18 -0.058 8.454 -9.370 1.00 0.00 C ATOM 134 CE1 PHE A 18 -1.394 6.943 -7.487 1.00 0.00 C ATOM 135 CE2 PHE A 18 -0.814 7.367 -9.767 1.00 0.00 C ATOM 136 CZ PHE A 18 -1.480 6.610 -8.824 1.00 0.00 C ATOM 0 HA PHE A 18 1.930 9.140 -5.941 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.262 10.603 -6.932 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.089 10.591 -8.478 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.572 8.288 -6.049 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.465 9.040 -10.111 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.916 6.354 -6.748 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.884 7.110 -10.814 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.068 5.758 -9.132 1.00 0.00 H new ATOM 146 N SER A 19 3.779 9.091 -8.637 1.00 0.00 N ATOM 147 CA SER A 19 4.570 8.233 -9.512 1.00 0.00 C ATOM 148 C SER A 19 5.484 7.323 -8.697 1.00 0.00 C ATOM 149 O SER A 19 5.776 6.197 -9.100 1.00 0.00 O ATOM 150 CB SER A 19 5.402 9.080 -10.477 1.00 0.00 C ATOM 151 OG SER A 19 4.657 10.186 -10.957 1.00 0.00 O ATOM 0 H SER A 19 3.939 10.090 -8.770 1.00 0.00 H new ATOM 0 HA SER A 19 3.884 7.610 -10.087 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.301 9.434 -9.972 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.729 8.466 -11.316 1.00 0.00 H new ATOM 0 HG SER A 19 5.211 10.712 -11.570 1.00 0.00 H new ATOM 157 N ASP A 20 5.934 7.821 -7.550 1.00 0.00 N ATOM 158 CA ASP A 20 6.815 7.054 -6.677 1.00 0.00 C ATOM 159 C ASP A 20 6.020 6.044 -5.856 1.00 0.00 C ATOM 160 O ASP A 20 6.535 4.990 -5.481 1.00 0.00 O ATOM 161 CB ASP A 20 7.588 7.990 -5.748 1.00 0.00 C ATOM 162 CG ASP A 20 8.493 7.239 -4.790 1.00 0.00 C ATOM 163 OD1 ASP A 20 9.176 6.295 -5.238 1.00 0.00 O ATOM 164 OD2 ASP A 20 8.515 7.594 -3.593 1.00 0.00 O ATOM 0 H ASP A 20 5.703 8.752 -7.203 1.00 0.00 H new ATOM 0 HA ASP A 20 7.523 6.510 -7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.187 8.677 -6.346 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.883 8.595 -5.178 1.00 0.00 H new ATOM 169 N VAL A 21 4.763 6.373 -5.577 1.00 0.00 N ATOM 170 CA VAL A 21 3.896 5.495 -4.800 1.00 0.00 C ATOM 171 C VAL A 21 3.440 4.299 -5.629 1.00 0.00 C ATOM 172 O VAL A 21 3.344 3.179 -5.126 1.00 0.00 O ATOM 173 CB VAL A 21 2.659 6.246 -4.278 1.00 0.00 C ATOM 174 CG1 VAL A 21 1.797 5.328 -3.424 1.00 0.00 C ATOM 175 CG2 VAL A 21 3.077 7.480 -3.492 1.00 0.00 C ATOM 0 H VAL A 21 4.322 7.242 -5.878 1.00 0.00 H new ATOM 0 HA VAL A 21 4.482 5.143 -3.951 1.00 0.00 H new ATOM 0 HB VAL A 21 2.066 6.571 -5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.927 5.877 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.468 4.478 -4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.378 4.970 -2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.189 7.999 -3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.693 7.180 -2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.649 8.146 -4.138 1.00 0.00 H new ATOM 185 N LYS A 22 3.157 4.544 -6.904 1.00 0.00 N ATOM 186 CA LYS A 22 2.712 3.488 -7.806 1.00 0.00 C ATOM 187 C LYS A 22 3.836 2.495 -8.079 1.00 0.00 C ATOM 188 O LYS A 22 3.595 1.299 -8.249 1.00 0.00 O ATOM 189 CB LYS A 22 2.218 4.090 -9.124 1.00 0.00 C ATOM 190 CG LYS A 22 3.235 4.991 -9.800 1.00 0.00 C ATOM 191 CD LYS A 22 2.719 5.515 -11.130 1.00 0.00 C ATOM 192 CE LYS A 22 3.859 5.808 -12.093 1.00 0.00 C ATOM 193 NZ LYS A 22 3.418 6.666 -13.229 1.00 0.00 N ATOM 0 H LYS A 22 3.228 5.465 -7.336 1.00 0.00 H new ATOM 0 HA LYS A 22 1.891 2.956 -7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.951 3.282 -9.805 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.309 4.661 -8.935 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.472 5.829 -9.145 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.162 4.440 -9.960 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.045 4.782 -11.574 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.139 6.423 -10.964 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.669 6.303 -11.557 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.258 4.870 -12.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.223 6.843 -13.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.662 6.183 -13.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.061 7.571 -12.862 1.00 0.00 H new ATOM 207 N THR A 23 5.067 2.997 -8.118 1.00 0.00 N ATOM 208 CA THR A 23 6.229 2.154 -8.370 1.00 0.00 C ATOM 209 C THR A 23 6.458 1.176 -7.223 1.00 0.00 C ATOM 210 O THR A 23 6.461 -0.039 -7.421 1.00 0.00 O ATOM 211 CB THR A 23 7.501 2.997 -8.572 1.00 0.00 C ATOM 212 OG1 THR A 23 7.342 3.862 -9.701 1.00 0.00 O ATOM 213 CG2 THR A 23 8.716 2.104 -8.779 1.00 0.00 C ATOM 0 H THR A 23 5.284 3.984 -7.978 1.00 0.00 H new ATOM 0 HA THR A 23 6.023 1.596 -9.284 1.00 0.00 H new ATOM 0 HB THR A 23 7.658 3.596 -7.675 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.802 4.638 -9.445 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.602 2.723 -8.920 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.853 1.467 -7.905 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.564 1.482 -9.661 1.00 0.00 H new ATOM 221 N LEU A 24 6.649 1.713 -6.023 1.00 0.00 N ATOM 222 CA LEU A 24 6.878 0.887 -4.842 1.00 0.00 C ATOM 223 C LEU A 24 5.792 -0.175 -4.702 1.00 0.00 C ATOM 224 O LEU A 24 6.038 -1.266 -4.184 1.00 0.00 O ATOM 225 CB LEU A 24 6.919 1.759 -3.586 1.00 0.00 C ATOM 226 CG LEU A 24 5.566 2.097 -2.959 1.00 0.00 C ATOM 227 CD1 LEU A 24 5.176 1.043 -1.933 1.00 0.00 C ATOM 228 CD2 LEU A 24 5.604 3.478 -2.320 1.00 0.00 C ATOM 0 H LEU A 24 6.650 2.717 -5.842 1.00 0.00 H new ATOM 0 HA LEU A 24 7.838 0.385 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.528 1.253 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.426 2.692 -3.832 1.00 0.00 H new ATOM 0 HG LEU A 24 4.813 2.104 -3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.211 1.300 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.108 0.070 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.930 1.004 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.633 3.702 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.369 3.499 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.838 4.224 -3.079 1.00 0.00 H new ATOM 240 N LEU A 25 4.591 0.149 -5.168 1.00 0.00 N ATOM 241 CA LEU A 25 3.467 -0.779 -5.098 1.00 0.00 C ATOM 242 C LEU A 25 3.545 -1.815 -6.213 1.00 0.00 C ATOM 243 O LEU A 25 3.167 -2.972 -6.029 1.00 0.00 O ATOM 244 CB LEU A 25 2.145 -0.015 -5.187 1.00 0.00 C ATOM 245 CG LEU A 25 1.696 0.701 -3.912 1.00 0.00 C ATOM 246 CD1 LEU A 25 0.710 1.811 -4.242 1.00 0.00 C ATOM 247 CD2 LEU A 25 1.079 -0.288 -2.933 1.00 0.00 C ATOM 0 H LEU A 25 4.370 1.047 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 25 3.516 -1.299 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.228 0.724 -5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.363 -0.715 -5.481 1.00 0.00 H new ATOM 0 HG LEU A 25 2.572 1.148 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.402 2.309 -3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.185 2.534 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.164 1.386 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.766 0.239 -2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.214 -0.765 -3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.815 -1.048 -2.671 1.00 0.00 H new ATOM 259 N LYS A 26 4.041 -1.393 -7.373 1.00 0.00 N ATOM 260 CA LYS A 26 4.173 -2.285 -8.518 1.00 0.00 C ATOM 261 C LYS A 26 5.304 -3.285 -8.302 1.00 0.00 C ATOM 262 O LYS A 26 5.179 -4.460 -8.647 1.00 0.00 O ATOM 263 CB LYS A 26 4.429 -1.477 -9.792 1.00 0.00 C ATOM 264 CG LYS A 26 4.542 -2.332 -11.043 1.00 0.00 C ATOM 265 CD LYS A 26 3.184 -2.569 -11.681 1.00 0.00 C ATOM 266 CE LYS A 26 3.312 -2.868 -13.167 1.00 0.00 C ATOM 267 NZ LYS A 26 2.135 -2.375 -13.936 1.00 0.00 N ATOM 0 H LYS A 26 4.358 -0.439 -7.544 1.00 0.00 H new ATOM 0 HA LYS A 26 3.240 -2.837 -8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.620 -0.759 -9.925 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.348 -0.904 -9.670 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.202 -1.844 -11.760 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.998 -3.289 -10.791 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.687 -3.401 -11.183 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.555 -1.690 -11.538 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.219 -2.404 -13.554 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.417 -3.943 -13.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.261 -2.598 -14.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.272 -2.837 -13.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.049 -1.345 -13.817 1.00 0.00 H new ATOM 281 N GLU A 27 6.405 -2.811 -7.728 1.00 0.00 N ATOM 282 CA GLU A 27 7.558 -3.666 -7.466 1.00 0.00 C ATOM 283 C GLU A 27 7.300 -4.574 -6.266 1.00 0.00 C ATOM 284 O GLU A 27 7.680 -5.745 -6.268 1.00 0.00 O ATOM 285 CB GLU A 27 8.805 -2.816 -7.217 1.00 0.00 C ATOM 286 CG GLU A 27 8.678 -1.882 -6.025 1.00 0.00 C ATOM 287 CD GLU A 27 9.749 -0.809 -6.008 1.00 0.00 C ATOM 288 OE1 GLU A 27 10.086 -0.288 -7.091 1.00 0.00 O ATOM 289 OE2 GLU A 27 10.251 -0.492 -4.909 1.00 0.00 O ATOM 0 H GLU A 27 6.523 -1.841 -7.436 1.00 0.00 H new ATOM 0 HA GLU A 27 7.722 -4.290 -8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.659 -3.476 -7.061 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.016 -2.226 -8.109 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.696 -1.410 -6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.737 -2.463 -5.105 1.00 0.00 H new ATOM 296 N TRP A 28 6.653 -4.025 -5.246 1.00 0.00 N ATOM 297 CA TRP A 28 6.344 -4.784 -4.039 1.00 0.00 C ATOM 298 C TRP A 28 5.453 -5.979 -4.360 1.00 0.00 C ATOM 299 O TRP A 28 5.354 -6.920 -3.573 1.00 0.00 O ATOM 300 CB TRP A 28 5.661 -3.886 -3.007 1.00 0.00 C ATOM 301 CG TRP A 28 5.251 -4.615 -1.763 1.00 0.00 C ATOM 302 CD1 TRP A 28 6.069 -5.282 -0.896 1.00 0.00 C ATOM 303 CD2 TRP A 28 3.921 -4.753 -1.250 1.00 0.00 C ATOM 304 NE1 TRP A 28 5.328 -5.825 0.126 1.00 0.00 N ATOM 305 CE2 TRP A 28 4.008 -5.515 -0.068 1.00 0.00 C ATOM 306 CE3 TRP A 28 2.667 -4.305 -1.672 1.00 0.00 C ATOM 307 CZ2 TRP A 28 2.887 -5.838 0.693 1.00 0.00 C ATOM 308 CZ3 TRP A 28 1.556 -4.627 -0.917 1.00 0.00 C ATOM 309 CH2 TRP A 28 1.672 -5.387 0.256 1.00 0.00 C ATOM 0 H TRP A 28 6.332 -3.057 -5.229 1.00 0.00 H new ATOM 0 HA TRP A 28 7.281 -5.154 -3.624 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.337 -3.075 -2.738 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.780 -3.430 -3.459 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.141 -5.370 -0.999 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.701 -6.371 0.903 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.568 -3.717 -2.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.974 -6.424 1.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.581 -4.288 -1.235 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.785 -5.621 0.825 1.00 0.00 H new ATOM 320 N ILE A 29 4.806 -5.934 -5.521 1.00 0.00 N ATOM 321 CA ILE A 29 3.925 -7.014 -5.945 1.00 0.00 C ATOM 322 C ILE A 29 4.648 -7.980 -6.876 1.00 0.00 C ATOM 323 O ILE A 29 4.440 -9.193 -6.815 1.00 0.00 O ATOM 324 CB ILE A 29 2.673 -6.470 -6.660 1.00 0.00 C ATOM 325 CG1 ILE A 29 1.853 -5.599 -5.706 1.00 0.00 C ATOM 326 CG2 ILE A 29 1.829 -7.617 -7.196 1.00 0.00 C ATOM 327 CD1 ILE A 29 0.871 -4.690 -6.411 1.00 0.00 C ATOM 0 H ILE A 29 4.876 -5.161 -6.183 1.00 0.00 H new ATOM 0 HA ILE A 29 3.618 -7.544 -5.043 1.00 0.00 H new ATOM 0 HB ILE A 29 2.991 -5.855 -7.502 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.308 -6.243 -5.016 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.532 -4.992 -5.107 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.948 -7.217 -7.698 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.417 -8.201 -7.904 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.517 -8.256 -6.370 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.325 -4.102 -5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.411 -4.020 -7.080 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.169 -5.291 -6.988 1.00 0.00 H new ATOM 339 N THR A 30 5.501 -7.437 -7.739 1.00 0.00 N ATOM 340 CA THR A 30 6.256 -8.250 -8.682 1.00 0.00 C ATOM 341 C THR A 30 7.454 -8.907 -8.007 1.00 0.00 C ATOM 342 O THR A 30 7.548 -10.134 -7.941 1.00 0.00 O ATOM 343 CB THR A 30 6.752 -7.412 -9.876 1.00 0.00 C ATOM 344 OG1 THR A 30 7.522 -6.299 -9.407 1.00 0.00 O ATOM 345 CG2 THR A 30 5.582 -6.909 -10.708 1.00 0.00 C ATOM 0 H THR A 30 5.686 -6.436 -7.804 1.00 0.00 H new ATOM 0 HA THR A 30 5.578 -9.022 -9.045 1.00 0.00 H new ATOM 0 HB THR A 30 7.377 -8.048 -10.503 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.835 -5.772 -10.172 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.957 -6.320 -11.545 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.014 -7.758 -11.088 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.935 -6.288 -10.088 1.00 0.00 H new ATOM 353 N THR A 31 8.369 -8.085 -7.503 1.00 0.00 N ATOM 354 CA THR A 31 9.561 -8.588 -6.831 1.00 0.00 C ATOM 355 C THR A 31 9.197 -9.594 -5.746 1.00 0.00 C ATOM 356 O THR A 31 9.784 -10.675 -5.667 1.00 0.00 O ATOM 357 CB THR A 31 10.376 -7.442 -6.201 1.00 0.00 C ATOM 358 OG1 THR A 31 9.675 -6.906 -5.073 1.00 0.00 O ATOM 359 CG2 THR A 31 10.632 -6.339 -7.217 1.00 0.00 C ATOM 0 H THR A 31 8.307 -7.068 -7.547 1.00 0.00 H new ATOM 0 HA THR A 31 10.168 -9.081 -7.590 1.00 0.00 H new ATOM 0 HB THR A 31 11.335 -7.843 -5.875 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.795 -6.582 -5.358 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.209 -5.541 -6.750 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.190 -6.744 -8.061 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.680 -5.941 -7.569 1.00 0.00 H new ATOM 367 N ILE A 32 8.229 -9.234 -4.911 1.00 0.00 N ATOM 368 CA ILE A 32 7.786 -10.108 -3.832 1.00 0.00 C ATOM 369 C ILE A 32 6.629 -10.993 -4.280 1.00 0.00 C ATOM 370 O ILE A 32 5.810 -10.591 -5.106 1.00 0.00 O ATOM 371 CB ILE A 32 7.350 -9.299 -2.596 1.00 0.00 C ATOM 372 CG1 ILE A 32 8.399 -8.238 -2.257 1.00 0.00 C ATOM 373 CG2 ILE A 32 7.124 -10.224 -1.410 1.00 0.00 C ATOM 374 CD1 ILE A 32 9.766 -8.812 -1.957 1.00 0.00 C ATOM 0 H ILE A 32 7.736 -8.342 -4.961 1.00 0.00 H new ATOM 0 HA ILE A 32 8.637 -10.735 -3.565 1.00 0.00 H new ATOM 0 HB ILE A 32 6.411 -8.795 -2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.482 -7.541 -3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.058 -7.664 -1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.816 -9.637 -0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.345 -10.946 -1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.049 -10.753 -1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.458 -8.002 -1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.698 -9.486 -1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.128 -9.362 -2.826 1.00 0.00 H new ATOM 386 N SER A 33 6.568 -12.202 -3.729 1.00 0.00 N ATOM 387 CA SER A 33 5.512 -13.146 -4.074 1.00 0.00 C ATOM 388 C SER A 33 4.811 -13.658 -2.819 1.00 0.00 C ATOM 389 O SER A 33 3.591 -13.831 -2.802 1.00 0.00 O ATOM 390 CB SER A 33 6.087 -14.321 -4.865 1.00 0.00 C ATOM 391 OG SER A 33 6.583 -13.895 -6.122 1.00 0.00 O ATOM 0 H SER A 33 7.237 -12.550 -3.042 1.00 0.00 H new ATOM 0 HA SER A 33 4.781 -12.625 -4.692 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.888 -14.790 -4.294 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.316 -15.077 -5.012 1.00 0.00 H new ATOM 0 HG SER A 33 6.947 -14.664 -6.608 1.00 0.00 H new ATOM 397 N ASP A 34 5.589 -13.899 -1.770 1.00 0.00 N ATOM 398 CA ASP A 34 5.045 -14.391 -0.510 1.00 0.00 C ATOM 399 C ASP A 34 5.503 -13.521 0.656 1.00 0.00 C ATOM 400 O ASP A 34 6.346 -13.915 1.464 1.00 0.00 O ATOM 401 CB ASP A 34 5.469 -15.841 -0.278 1.00 0.00 C ATOM 402 CG ASP A 34 4.957 -16.774 -1.358 1.00 0.00 C ATOM 403 OD1 ASP A 34 3.763 -17.137 -1.309 1.00 0.00 O ATOM 404 OD2 ASP A 34 5.750 -17.143 -2.250 1.00 0.00 O ATOM 0 H ASP A 34 6.600 -13.761 -1.767 1.00 0.00 H new ATOM 0 HA ASP A 34 3.958 -14.344 -0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.557 -15.897 -0.240 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.098 -16.174 0.691 1.00 0.00 H new ATOM 409 N PRO A 35 4.938 -12.307 0.748 1.00 0.00 N ATOM 410 CA PRO A 35 5.274 -11.356 1.812 1.00 0.00 C ATOM 411 C PRO A 35 4.762 -11.807 3.176 1.00 0.00 C ATOM 412 O PRO A 35 3.890 -12.671 3.267 1.00 0.00 O ATOM 413 CB PRO A 35 4.569 -10.070 1.373 1.00 0.00 C ATOM 414 CG PRO A 35 3.440 -10.531 0.517 1.00 0.00 C ATOM 415 CD PRO A 35 3.928 -11.772 -0.178 1.00 0.00 C ATOM 0 HA PRO A 35 6.351 -11.246 1.936 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.209 -9.503 2.231 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.244 -9.417 0.820 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.556 -10.742 1.118 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.159 -9.764 -0.205 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.119 -12.483 -0.345 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.358 -11.544 -1.153 1.00 0.00 H new ATOM 423 N MET A 36 5.308 -11.216 4.233 1.00 0.00 N ATOM 424 CA MET A 36 4.904 -11.557 5.592 1.00 0.00 C ATOM 425 C MET A 36 3.746 -10.676 6.051 1.00 0.00 C ATOM 426 O MET A 36 3.430 -9.670 5.416 1.00 0.00 O ATOM 427 CB MET A 36 6.086 -11.404 6.552 1.00 0.00 C ATOM 428 CG MET A 36 6.140 -12.480 7.624 1.00 0.00 C ATOM 429 SD MET A 36 6.494 -14.114 6.951 1.00 0.00 S ATOM 430 CE MET A 36 5.657 -15.160 8.141 1.00 0.00 C ATOM 0 H MET A 36 6.031 -10.499 4.175 1.00 0.00 H new ATOM 0 HA MET A 36 4.573 -12.596 5.596 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.014 -11.426 5.980 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.030 -10.427 7.032 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.904 -12.220 8.356 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.188 -12.508 8.153 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.785 -16.205 7.860 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.081 -14.996 9.132 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.595 -14.916 8.156 1.00 0.00 H new ATOM 440 N GLU A 37 3.116 -11.062 7.156 1.00 0.00 N ATOM 441 CA GLU A 37 1.992 -10.308 7.698 1.00 0.00 C ATOM 442 C GLU A 37 2.370 -8.845 7.909 1.00 0.00 C ATOM 443 O GLU A 37 1.535 -7.952 7.772 1.00 0.00 O ATOM 444 CB GLU A 37 1.527 -10.923 9.019 1.00 0.00 C ATOM 445 CG GLU A 37 2.611 -10.974 10.082 1.00 0.00 C ATOM 446 CD GLU A 37 2.199 -11.783 11.298 1.00 0.00 C ATOM 447 OE1 GLU A 37 1.231 -11.383 11.975 1.00 0.00 O ATOM 448 OE2 GLU A 37 2.847 -12.816 11.570 1.00 0.00 O ATOM 0 H GLU A 37 3.365 -11.892 7.693 1.00 0.00 H new ATOM 0 HA GLU A 37 1.175 -10.353 6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.683 -10.348 9.400 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.166 -11.934 8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.515 -11.405 9.653 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.858 -9.959 10.392 1.00 0.00 H new ATOM 455 N GLU A 38 3.634 -8.609 8.247 1.00 0.00 N ATOM 456 CA GLU A 38 4.122 -7.256 8.478 1.00 0.00 C ATOM 457 C GLU A 38 4.033 -6.420 7.205 1.00 0.00 C ATOM 458 O GLU A 38 3.740 -5.225 7.253 1.00 0.00 O ATOM 459 CB GLU A 38 5.567 -7.289 8.980 1.00 0.00 C ATOM 460 CG GLU A 38 6.553 -7.831 7.959 1.00 0.00 C ATOM 461 CD GLU A 38 7.654 -8.659 8.594 1.00 0.00 C ATOM 462 OE1 GLU A 38 7.977 -8.410 9.774 1.00 0.00 O ATOM 463 OE2 GLU A 38 8.192 -9.555 7.910 1.00 0.00 O ATOM 0 H GLU A 38 4.338 -9.338 8.367 1.00 0.00 H new ATOM 0 HA GLU A 38 3.492 -6.796 9.239 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.868 -6.280 9.263 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.616 -7.901 9.881 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.018 -8.441 7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.998 -7.000 7.412 1.00 0.00 H new ATOM 470 N ASP A 39 4.289 -7.055 6.067 1.00 0.00 N ATOM 471 CA ASP A 39 4.239 -6.372 4.781 1.00 0.00 C ATOM 472 C ASP A 39 2.858 -5.769 4.539 1.00 0.00 C ATOM 473 O ASP A 39 2.733 -4.697 3.947 1.00 0.00 O ATOM 474 CB ASP A 39 4.589 -7.341 3.650 1.00 0.00 C ATOM 475 CG ASP A 39 5.960 -7.964 3.827 1.00 0.00 C ATOM 476 OD1 ASP A 39 6.163 -8.673 4.834 1.00 0.00 O ATOM 477 OD2 ASP A 39 6.829 -7.744 2.958 1.00 0.00 O ATOM 0 H ASP A 39 4.534 -8.044 6.009 1.00 0.00 H new ATOM 0 HA ASP A 39 4.971 -5.565 4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.838 -8.129 3.605 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.553 -6.812 2.698 1.00 0.00 H new ATOM 482 N ILE A 40 1.825 -6.465 5.002 1.00 0.00 N ATOM 483 CA ILE A 40 0.454 -5.999 4.837 1.00 0.00 C ATOM 484 C ILE A 40 0.155 -4.830 5.769 1.00 0.00 C ATOM 485 O ILE A 40 -0.643 -3.950 5.444 1.00 0.00 O ATOM 486 CB ILE A 40 -0.561 -7.125 5.103 1.00 0.00 C ATOM 487 CG1 ILE A 40 -0.368 -8.262 4.097 1.00 0.00 C ATOM 488 CG2 ILE A 40 -1.981 -6.585 5.036 1.00 0.00 C ATOM 489 CD1 ILE A 40 0.675 -9.273 4.519 1.00 0.00 C ATOM 0 H ILE A 40 1.912 -7.354 5.495 1.00 0.00 H new ATOM 0 HA ILE A 40 0.356 -5.671 3.802 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.391 -7.519 6.105 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.320 -8.773 3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.083 -7.839 3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.687 -7.393 5.226 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.110 -5.806 5.788 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.165 -6.168 4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.758 -10.049 3.758 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.638 -8.775 4.636 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.382 -9.724 5.467 1.00 0.00 H new ATOM 501 N LEU A 41 0.803 -4.826 6.930 1.00 0.00 N ATOM 502 CA LEU A 41 0.608 -3.764 7.910 1.00 0.00 C ATOM 503 C LEU A 41 1.343 -2.494 7.492 1.00 0.00 C ATOM 504 O LEU A 41 0.923 -1.386 7.822 1.00 0.00 O ATOM 505 CB LEU A 41 1.097 -4.218 9.287 1.00 0.00 C ATOM 506 CG LEU A 41 0.067 -4.938 10.160 1.00 0.00 C ATOM 507 CD1 LEU A 41 -1.128 -4.036 10.429 1.00 0.00 C ATOM 508 CD2 LEU A 41 -0.377 -6.235 9.501 1.00 0.00 C ATOM 0 H LEU A 41 1.467 -5.546 7.215 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.458 -3.544 7.963 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.952 -4.880 9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.456 -3.344 9.830 1.00 0.00 H new ATOM 0 HG LEU A 41 0.534 -5.181 11.114 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.850 -4.565 11.051 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.795 -3.135 10.945 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.596 -3.761 9.484 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.109 -6.734 10.136 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.826 -6.016 8.532 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.486 -6.886 9.362 1.00 0.00 H new ATOM 520 N GLN A 42 2.439 -2.665 6.760 1.00 0.00 N ATOM 521 CA GLN A 42 3.231 -1.533 6.294 1.00 0.00 C ATOM 522 C GLN A 42 2.460 -0.718 5.262 1.00 0.00 C ATOM 523 O GLN A 42 2.386 0.508 5.352 1.00 0.00 O ATOM 524 CB GLN A 42 4.551 -2.019 5.695 1.00 0.00 C ATOM 525 CG GLN A 42 5.546 -2.513 6.734 1.00 0.00 C ATOM 526 CD GLN A 42 6.098 -1.392 7.592 1.00 0.00 C ATOM 527 OE1 GLN A 42 6.099 -0.228 7.189 1.00 0.00 O ATOM 528 NE2 GLN A 42 6.573 -1.738 8.783 1.00 0.00 N ATOM 0 H GLN A 42 2.799 -3.577 6.477 1.00 0.00 H new ATOM 0 HA GLN A 42 3.443 -0.893 7.151 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.346 -2.824 4.989 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.004 -1.206 5.128 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.061 -3.250 7.374 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.370 -3.020 6.231 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.552 -2.715 9.076 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.959 -1.027 9.404 1.00 0.00 H new ATOM 537 N VAL A 43 1.886 -1.405 4.280 1.00 0.00 N ATOM 538 CA VAL A 43 1.119 -0.746 3.230 1.00 0.00 C ATOM 539 C VAL A 43 -0.097 -0.028 3.805 1.00 0.00 C ATOM 540 O VAL A 43 -0.506 1.020 3.308 1.00 0.00 O ATOM 541 CB VAL A 43 0.650 -1.751 2.161 1.00 0.00 C ATOM 542 CG1 VAL A 43 1.838 -2.300 1.386 1.00 0.00 C ATOM 543 CG2 VAL A 43 -0.145 -2.878 2.803 1.00 0.00 C ATOM 0 H VAL A 43 1.938 -2.420 4.190 1.00 0.00 H new ATOM 0 HA VAL A 43 1.782 -0.016 2.765 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.002 -1.231 1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.487 -3.008 0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.362 -1.480 0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.518 -2.806 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.469 -3.579 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.481 -3.398 3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.018 -2.465 3.308 1.00 0.00 H new ATOM 553 N VAL A 44 -0.671 -0.601 4.858 1.00 0.00 N ATOM 554 CA VAL A 44 -1.841 -0.017 5.504 1.00 0.00 C ATOM 555 C VAL A 44 -1.461 1.218 6.314 1.00 0.00 C ATOM 556 O VAL A 44 -2.249 2.154 6.445 1.00 0.00 O ATOM 557 CB VAL A 44 -2.537 -1.031 6.431 1.00 0.00 C ATOM 558 CG1 VAL A 44 -3.715 -0.383 7.142 1.00 0.00 C ATOM 559 CG2 VAL A 44 -2.985 -2.252 5.642 1.00 0.00 C ATOM 0 H VAL A 44 -0.345 -1.469 5.282 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.531 0.269 4.710 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.823 -1.357 7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.194 -1.114 7.793 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.362 0.458 7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.434 -0.027 6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.475 -2.959 6.312 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.684 -1.946 4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.118 -2.728 5.184 1.00 0.00 H new ATOM 569 N ARG A 45 -0.248 1.212 6.857 1.00 0.00 N ATOM 570 CA ARG A 45 0.237 2.331 7.657 1.00 0.00 C ATOM 571 C ARG A 45 0.449 3.569 6.788 1.00 0.00 C ATOM 572 O ARG A 45 -0.025 4.657 7.113 1.00 0.00 O ATOM 573 CB ARG A 45 1.545 1.957 8.356 1.00 0.00 C ATOM 574 CG ARG A 45 1.342 1.230 9.676 1.00 0.00 C ATOM 575 CD ARG A 45 0.889 2.182 10.772 1.00 0.00 C ATOM 576 NE ARG A 45 0.823 1.524 12.075 1.00 0.00 N ATOM 577 CZ ARG A 45 -0.138 0.674 12.419 1.00 0.00 C ATOM 578 NH1 ARG A 45 -1.107 0.380 11.564 1.00 0.00 N ATOM 579 NH2 ARG A 45 -0.131 0.116 13.623 1.00 0.00 N ATOM 0 H ARG A 45 0.417 0.445 6.758 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.517 2.560 8.410 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.136 1.327 7.691 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.124 2.863 8.535 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.600 0.441 9.548 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.273 0.747 9.974 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.577 3.026 10.826 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.092 2.586 10.519 1.00 0.00 H new ATOM 0 HE ARG A 45 1.554 1.728 12.757 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.117 0.807 10.638 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.843 -0.273 11.832 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.612 0.340 14.285 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.869 -0.537 13.887 1.00 0.00 H new ATOM 593 N TYR A 46 1.164 3.393 5.683 1.00 0.00 N ATOM 594 CA TYR A 46 1.442 4.494 4.768 1.00 0.00 C ATOM 595 C TYR A 46 0.150 5.182 4.337 1.00 0.00 C ATOM 596 O TYR A 46 0.106 6.403 4.179 1.00 0.00 O ATOM 597 CB TYR A 46 2.199 3.988 3.540 1.00 0.00 C ATOM 598 CG TYR A 46 2.277 4.998 2.418 1.00 0.00 C ATOM 599 CD1 TYR A 46 3.088 6.122 2.525 1.00 0.00 C ATOM 600 CD2 TYR A 46 1.541 4.829 1.252 1.00 0.00 C ATOM 601 CE1 TYR A 46 3.162 7.047 1.502 1.00 0.00 C ATOM 602 CE2 TYR A 46 1.610 5.750 0.224 1.00 0.00 C ATOM 603 CZ TYR A 46 2.422 6.858 0.354 1.00 0.00 C ATOM 604 OH TYR A 46 2.494 7.776 -0.667 1.00 0.00 O ATOM 0 H TYR A 46 1.562 2.498 5.399 1.00 0.00 H new ATOM 0 HA TYR A 46 2.062 5.221 5.292 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.210 3.708 3.837 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.713 3.085 3.171 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.669 6.274 3.422 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.904 3.963 1.147 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.797 7.915 1.601 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.032 5.603 -0.676 1.00 0.00 H new ATOM 0 HH TYR A 46 3.381 8.193 -0.670 1.00 0.00 H new ATOM 614 N CYS A 47 -0.899 4.389 4.148 1.00 0.00 N ATOM 615 CA CYS A 47 -2.193 4.921 3.734 1.00 0.00 C ATOM 616 C CYS A 47 -2.769 5.844 4.802 1.00 0.00 C ATOM 617 O CYS A 47 -3.108 6.996 4.526 1.00 0.00 O ATOM 618 CB CYS A 47 -3.170 3.778 3.451 1.00 0.00 C ATOM 619 SG CYS A 47 -4.889 4.305 3.262 1.00 0.00 S ATOM 0 H CYS A 47 -0.879 3.377 4.275 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.045 5.499 2.822 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.857 3.264 2.542 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.111 3.054 4.264 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.583 3.894 4.281 1.00 0.00 H new ATOM 625 N THR A 48 -2.878 5.333 6.024 1.00 0.00 N ATOM 626 CA THR A 48 -3.416 6.110 7.133 1.00 0.00 C ATOM 627 C THR A 48 -2.654 7.419 7.307 1.00 0.00 C ATOM 628 O THR A 48 -3.250 8.466 7.559 1.00 0.00 O ATOM 629 CB THR A 48 -3.360 5.318 8.453 1.00 0.00 C ATOM 630 OG1 THR A 48 -3.392 3.913 8.183 1.00 0.00 O ATOM 631 CG2 THR A 48 -4.525 5.692 9.358 1.00 0.00 C ATOM 0 H THR A 48 -2.600 4.383 6.271 1.00 0.00 H new ATOM 0 HA THR A 48 -4.457 6.327 6.892 1.00 0.00 H new ATOM 0 HB THR A 48 -2.429 5.569 8.962 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.354 3.417 9.027 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.465 5.120 10.284 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.482 6.757 9.586 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.465 5.467 8.853 1.00 0.00 H new ATOM 639 N ASP A 49 -1.334 7.353 7.169 1.00 0.00 N ATOM 640 CA ASP A 49 -0.490 8.535 7.309 1.00 0.00 C ATOM 641 C ASP A 49 -0.986 9.665 6.412 1.00 0.00 C ATOM 642 O ASP A 49 -0.990 10.831 6.810 1.00 0.00 O ATOM 643 CB ASP A 49 0.960 8.194 6.968 1.00 0.00 C ATOM 644 CG ASP A 49 1.938 9.224 7.501 1.00 0.00 C ATOM 645 OD1 ASP A 49 2.060 10.302 6.883 1.00 0.00 O ATOM 646 OD2 ASP A 49 2.578 8.950 8.538 1.00 0.00 O ATOM 0 H ASP A 49 -0.825 6.494 6.960 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.542 8.869 8.345 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.207 7.216 7.380 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.068 8.120 5.886 1.00 0.00 H new ATOM 651 N LEU A 50 -1.400 9.313 5.200 1.00 0.00 N ATOM 652 CA LEU A 50 -1.897 10.299 4.246 1.00 0.00 C ATOM 653 C LEU A 50 -3.172 10.959 4.759 1.00 0.00 C ATOM 654 O LEU A 50 -3.260 12.185 4.835 1.00 0.00 O ATOM 655 CB LEU A 50 -2.161 9.638 2.892 1.00 0.00 C ATOM 656 CG LEU A 50 -0.925 9.293 2.061 1.00 0.00 C ATOM 657 CD1 LEU A 50 -1.296 8.374 0.907 1.00 0.00 C ATOM 658 CD2 LEU A 50 -0.259 10.559 1.543 1.00 0.00 C ATOM 0 H LEU A 50 -1.402 8.353 4.854 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.135 11.069 4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.727 8.722 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.796 10.301 2.304 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.216 8.769 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.403 8.140 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.726 7.453 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.025 8.870 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.619 10.293 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.962 11.110 0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.044 11.181 2.385 1.00 0.00 H new ATOM 670 N ILE A 51 -4.157 10.140 5.111 1.00 0.00 N ATOM 671 CA ILE A 51 -5.426 10.645 5.621 1.00 0.00 C ATOM 672 C ILE A 51 -5.216 11.508 6.860 1.00 0.00 C ATOM 673 O ILE A 51 -6.053 12.347 7.193 1.00 0.00 O ATOM 674 CB ILE A 51 -6.391 9.497 5.967 1.00 0.00 C ATOM 675 CG1 ILE A 51 -6.677 8.650 4.726 1.00 0.00 C ATOM 676 CG2 ILE A 51 -7.684 10.048 6.549 1.00 0.00 C ATOM 677 CD1 ILE A 51 -6.956 7.196 5.037 1.00 0.00 C ATOM 0 H ILE A 51 -4.101 9.123 5.052 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.865 11.251 4.829 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.921 8.861 6.717 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.533 9.071 4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.824 8.711 4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.356 9.224 6.788 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.464 10.612 7.456 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.160 10.704 5.821 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.150 6.656 4.110 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.092 6.759 5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.827 7.124 5.688 1.00 0.00 H new ATOM 689 N GLU A 52 -4.091 11.298 7.538 1.00 0.00 N ATOM 690 CA GLU A 52 -3.772 12.058 8.740 1.00 0.00 C ATOM 691 C GLU A 52 -3.321 13.473 8.386 1.00 0.00 C ATOM 692 O GLU A 52 -3.422 14.390 9.201 1.00 0.00 O ATOM 693 CB GLU A 52 -2.678 11.350 9.544 1.00 0.00 C ATOM 694 CG GLU A 52 -3.087 9.976 10.046 1.00 0.00 C ATOM 695 CD GLU A 52 -3.508 9.988 11.503 1.00 0.00 C ATOM 696 OE1 GLU A 52 -3.898 11.066 11.999 1.00 0.00 O ATOM 697 OE2 GLU A 52 -3.446 8.919 12.146 1.00 0.00 O ATOM 0 H GLU A 52 -3.387 10.609 7.275 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.675 12.123 9.347 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.788 11.251 8.922 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.404 11.972 10.396 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.910 9.601 9.437 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.255 9.284 9.918 1.00 0.00 H new ATOM 704 N GLU A 53 -2.825 13.641 7.164 1.00 0.00 N ATOM 705 CA GLU A 53 -2.358 14.943 6.702 1.00 0.00 C ATOM 706 C GLU A 53 -3.279 15.498 5.620 1.00 0.00 C ATOM 707 O GLU A 53 -2.944 16.470 4.941 1.00 0.00 O ATOM 708 CB GLU A 53 -0.929 14.836 6.166 1.00 0.00 C ATOM 709 CG GLU A 53 -0.749 13.744 5.125 1.00 0.00 C ATOM 710 CD GLU A 53 0.580 13.842 4.401 1.00 0.00 C ATOM 711 OE1 GLU A 53 0.751 14.789 3.604 1.00 0.00 O ATOM 712 OE2 GLU A 53 1.446 12.973 4.630 1.00 0.00 O ATOM 0 H GLU A 53 -2.736 12.893 6.477 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.369 15.627 7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.641 15.793 5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.251 14.648 6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.824 12.770 5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.560 13.802 4.399 1.00 0.00 H new ATOM 719 N LYS A 54 -4.441 14.873 5.461 1.00 0.00 N ATOM 720 CA LYS A 54 -5.412 15.303 4.462 1.00 0.00 C ATOM 721 C LYS A 54 -4.858 15.122 3.053 1.00 0.00 C ATOM 722 O LYS A 54 -5.399 15.664 2.088 1.00 0.00 O ATOM 723 CB LYS A 54 -5.791 16.768 4.688 1.00 0.00 C ATOM 724 CG LYS A 54 -6.036 17.115 6.146 1.00 0.00 C ATOM 725 CD LYS A 54 -7.262 17.998 6.311 1.00 0.00 C ATOM 726 CE LYS A 54 -7.067 19.352 5.646 1.00 0.00 C ATOM 727 NZ LYS A 54 -7.074 20.464 6.637 1.00 0.00 N ATOM 0 H LYS A 54 -4.733 14.066 6.012 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.303 14.683 4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.995 17.404 4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.689 16.995 4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.166 16.199 6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.162 17.625 6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.131 17.501 5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.470 18.139 7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.122 19.357 5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.858 19.514 4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.938 21.369 6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.985 20.476 7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.304 20.324 7.321 1.00 0.00 H new ATOM 741 N ASP A 55 -3.778 14.357 2.940 1.00 0.00 N ATOM 742 CA ASP A 55 -3.153 14.103 1.647 1.00 0.00 C ATOM 743 C ASP A 55 -3.620 12.771 1.070 1.00 0.00 C ATOM 744 O ASP A 55 -2.862 12.076 0.390 1.00 0.00 O ATOM 745 CB ASP A 55 -1.629 14.108 1.783 1.00 0.00 C ATOM 746 CG ASP A 55 -0.938 14.653 0.549 1.00 0.00 C ATOM 747 OD1 ASP A 55 -1.493 15.577 -0.082 1.00 0.00 O ATOM 748 OD2 ASP A 55 0.156 14.155 0.213 1.00 0.00 O ATOM 0 H ASP A 55 -3.317 13.902 3.728 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.452 14.899 0.964 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.347 14.708 2.648 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.281 13.092 1.972 1.00 0.00 H new ATOM 753 N LEU A 56 -4.870 12.417 1.346 1.00 0.00 N ATOM 754 CA LEU A 56 -5.439 11.168 0.856 1.00 0.00 C ATOM 755 C LEU A 56 -5.831 11.287 -0.613 1.00 0.00 C ATOM 756 O LEU A 56 -6.285 10.320 -1.224 1.00 0.00 O ATOM 757 CB LEU A 56 -6.659 10.776 1.691 1.00 0.00 C ATOM 758 CG LEU A 56 -7.565 11.926 2.134 1.00 0.00 C ATOM 759 CD1 LEU A 56 -7.964 12.782 0.942 1.00 0.00 C ATOM 760 CD2 LEU A 56 -8.798 11.390 2.846 1.00 0.00 C ATOM 0 H LEU A 56 -5.510 12.979 1.908 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.679 10.392 0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.257 10.070 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.312 10.250 2.580 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.010 12.551 2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.608 13.595 1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.070 13.196 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.500 12.169 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.431 12.222 3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.355 10.741 2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.493 10.822 3.725 1.00 0.00 H new ATOM 772 N GLU A 57 -5.648 12.478 -1.174 1.00 0.00 N ATOM 773 CA GLU A 57 -5.983 12.723 -2.573 1.00 0.00 C ATOM 774 C GLU A 57 -5.330 11.681 -3.477 1.00 0.00 C ATOM 775 O GLU A 57 -5.999 11.034 -4.283 1.00 0.00 O ATOM 776 CB GLU A 57 -5.538 14.126 -2.989 1.00 0.00 C ATOM 777 CG GLU A 57 -6.324 15.238 -2.315 1.00 0.00 C ATOM 778 CD GLU A 57 -7.689 15.448 -2.940 1.00 0.00 C ATOM 779 OE1 GLU A 57 -8.420 14.451 -3.117 1.00 0.00 O ATOM 780 OE2 GLU A 57 -8.027 16.609 -3.253 1.00 0.00 O ATOM 0 H GLU A 57 -5.270 13.288 -0.682 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.065 12.647 -2.681 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.480 14.247 -2.755 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.639 14.225 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.445 15.003 -1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.755 16.166 -2.372 1.00 0.00 H new ATOM 787 N LYS A 58 -4.017 11.525 -3.339 1.00 0.00 N ATOM 788 CA LYS A 58 -3.272 10.563 -4.143 1.00 0.00 C ATOM 789 C LYS A 58 -3.598 9.133 -3.720 1.00 0.00 C ATOM 790 O LYS A 58 -3.552 8.209 -4.532 1.00 0.00 O ATOM 791 CB LYS A 58 -1.768 10.815 -4.012 1.00 0.00 C ATOM 792 CG LYS A 58 -1.301 12.079 -4.711 1.00 0.00 C ATOM 793 CD LYS A 58 -0.076 12.671 -4.034 1.00 0.00 C ATOM 794 CE LYS A 58 -0.300 14.124 -3.646 1.00 0.00 C ATOM 795 NZ LYS A 58 0.314 15.060 -4.628 1.00 0.00 N ATOM 0 H LYS A 58 -3.447 12.053 -2.678 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.566 10.691 -5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.509 10.877 -2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.228 9.962 -4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.070 11.856 -5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.107 12.813 -4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.166 12.089 -3.145 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.781 12.600 -4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.370 14.321 -3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.122 14.306 -2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.140 16.041 -4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.339 14.890 -4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.107 14.904 -5.566 1.00 0.00 H new ATOM 809 N LEU A 59 -3.927 8.959 -2.445 1.00 0.00 N ATOM 810 CA LEU A 59 -4.262 7.642 -1.915 1.00 0.00 C ATOM 811 C LEU A 59 -5.448 7.039 -2.662 1.00 0.00 C ATOM 812 O LEU A 59 -5.443 5.855 -3.000 1.00 0.00 O ATOM 813 CB LEU A 59 -4.581 7.738 -0.421 1.00 0.00 C ATOM 814 CG LEU A 59 -5.565 6.701 0.122 1.00 0.00 C ATOM 815 CD1 LEU A 59 -4.978 5.302 0.019 1.00 0.00 C ATOM 816 CD2 LEU A 59 -5.935 7.021 1.563 1.00 0.00 C ATOM 0 H LEU A 59 -3.969 9.713 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.399 6.991 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.648 7.651 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.982 8.731 -0.218 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.471 6.737 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.693 4.578 0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.764 5.073 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.056 5.251 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.636 6.273 1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.036 7.013 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.398 8.007 1.609 1.00 0.00 H new ATOM 828 N ASP A 60 -6.458 7.861 -2.919 1.00 0.00 N ATOM 829 CA ASP A 60 -7.649 7.411 -3.630 1.00 0.00 C ATOM 830 C ASP A 60 -7.272 6.705 -4.928 1.00 0.00 C ATOM 831 O ASP A 60 -7.916 5.735 -5.331 1.00 0.00 O ATOM 832 CB ASP A 60 -8.571 8.595 -3.927 1.00 0.00 C ATOM 833 CG ASP A 60 -9.596 8.276 -4.998 1.00 0.00 C ATOM 834 OD1 ASP A 60 -9.260 8.392 -6.195 1.00 0.00 O ATOM 835 OD2 ASP A 60 -10.734 7.910 -4.638 1.00 0.00 O ATOM 0 H ASP A 60 -6.476 8.844 -2.646 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.177 6.702 -2.992 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.085 8.890 -3.012 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.971 9.448 -4.245 1.00 0.00 H new ATOM 840 N LEU A 61 -6.226 7.199 -5.582 1.00 0.00 N ATOM 841 CA LEU A 61 -5.763 6.615 -6.836 1.00 0.00 C ATOM 842 C LEU A 61 -5.003 5.318 -6.586 1.00 0.00 C ATOM 843 O LEU A 61 -5.007 4.412 -7.420 1.00 0.00 O ATOM 844 CB LEU A 61 -4.869 7.607 -7.582 1.00 0.00 C ATOM 845 CG LEU A 61 -5.337 9.063 -7.585 1.00 0.00 C ATOM 846 CD1 LEU A 61 -4.234 9.978 -8.095 1.00 0.00 C ATOM 847 CD2 LEU A 61 -6.594 9.218 -8.428 1.00 0.00 C ATOM 0 H LEU A 61 -5.683 8.002 -5.265 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.637 6.389 -7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.872 7.568 -7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.775 7.274 -8.616 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.574 9.350 -6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.586 11.010 -8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.360 9.889 -7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.965 9.692 -9.112 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.912 10.260 -8.418 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.385 8.912 -9.453 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.387 8.593 -8.017 1.00 0.00 H new ATOM 859 N VAL A 62 -4.352 5.231 -5.430 1.00 0.00 N ATOM 860 CA VAL A 62 -3.591 4.042 -5.067 1.00 0.00 C ATOM 861 C VAL A 62 -4.491 2.812 -5.001 1.00 0.00 C ATOM 862 O VAL A 62 -4.061 1.699 -5.308 1.00 0.00 O ATOM 863 CB VAL A 62 -2.883 4.220 -3.711 1.00 0.00 C ATOM 864 CG1 VAL A 62 -2.133 2.953 -3.330 1.00 0.00 C ATOM 865 CG2 VAL A 62 -1.942 5.415 -3.755 1.00 0.00 C ATOM 0 H VAL A 62 -4.337 5.971 -4.728 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.840 3.898 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.638 4.409 -2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.639 3.098 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.835 2.123 -3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.386 2.729 -4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.450 5.526 -2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.191 5.258 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.510 6.318 -3.979 1.00 0.00 H new ATOM 875 N ILE A 63 -5.739 3.021 -4.600 1.00 0.00 N ATOM 876 CA ILE A 63 -6.700 1.930 -4.495 1.00 0.00 C ATOM 877 C ILE A 63 -7.027 1.351 -5.868 1.00 0.00 C ATOM 878 O ILE A 63 -7.197 0.141 -6.020 1.00 0.00 O ATOM 879 CB ILE A 63 -8.006 2.392 -3.821 1.00 0.00 C ATOM 880 CG1 ILE A 63 -7.699 3.116 -2.509 1.00 0.00 C ATOM 881 CG2 ILE A 63 -8.924 1.204 -3.576 1.00 0.00 C ATOM 882 CD1 ILE A 63 -7.073 2.224 -1.460 1.00 0.00 C ATOM 0 H ILE A 63 -6.109 3.936 -4.342 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.236 1.160 -3.879 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.516 3.088 -4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.028 3.951 -2.712 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.622 3.538 -2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.843 1.546 -3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.164 0.728 -4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.424 0.486 -2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.882 2.803 -0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.752 1.403 -1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.133 1.822 -1.838 1.00 0.00 H new ATOM 894 N LYS A 64 -7.111 2.224 -6.867 1.00 0.00 N ATOM 895 CA LYS A 64 -7.414 1.800 -8.229 1.00 0.00 C ATOM 896 C LYS A 64 -6.217 1.094 -8.858 1.00 0.00 C ATOM 897 O LYS A 64 -6.376 0.251 -9.742 1.00 0.00 O ATOM 898 CB LYS A 64 -7.815 3.007 -9.082 1.00 0.00 C ATOM 899 CG LYS A 64 -8.962 3.812 -8.497 1.00 0.00 C ATOM 900 CD LYS A 64 -9.862 4.371 -9.585 1.00 0.00 C ATOM 901 CE LYS A 64 -11.019 3.431 -9.890 1.00 0.00 C ATOM 902 NZ LYS A 64 -12.186 4.157 -10.464 1.00 0.00 N ATOM 0 H LYS A 64 -6.974 3.229 -6.759 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.247 1.098 -8.189 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.950 3.659 -9.203 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.096 2.661 -10.077 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.547 3.181 -7.828 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.564 4.630 -7.896 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.252 5.340 -9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.279 4.538 -10.491 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.689 2.663 -10.590 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.323 2.920 -8.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.953 3.482 -10.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.517 4.873 -9.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.903 4.624 -11.349 1.00 0.00 H new ATOM 916 N TYR A 65 -5.022 1.442 -8.396 1.00 0.00 N ATOM 917 CA TYR A 65 -3.799 0.842 -8.915 1.00 0.00 C ATOM 918 C TYR A 65 -3.517 -0.496 -8.235 1.00 0.00 C ATOM 919 O TYR A 65 -3.062 -1.444 -8.873 1.00 0.00 O ATOM 920 CB TYR A 65 -2.615 1.789 -8.711 1.00 0.00 C ATOM 921 CG TYR A 65 -1.492 1.578 -9.704 1.00 0.00 C ATOM 922 CD1 TYR A 65 -1.699 1.761 -11.065 1.00 0.00 C ATOM 923 CD2 TYR A 65 -0.227 1.194 -9.278 1.00 0.00 C ATOM 924 CE1 TYR A 65 -0.677 1.569 -11.974 1.00 0.00 C ATOM 925 CE2 TYR A 65 0.801 1.001 -10.181 1.00 0.00 C ATOM 926 CZ TYR A 65 0.571 1.190 -11.528 1.00 0.00 C ATOM 927 OH TYR A 65 1.592 0.997 -12.430 1.00 0.00 O ATOM 0 H TYR A 65 -4.874 2.136 -7.663 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.936 0.666 -9.982 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.966 2.818 -8.786 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.225 1.658 -7.701 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.675 2.058 -11.418 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.044 1.044 -8.224 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.855 1.715 -13.029 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.780 0.704 -9.834 1.00 0.00 H new ATOM 0 HH TYR A 65 2.406 0.734 -11.952 1.00 0.00 H new ATOM 937 N MET A 66 -3.792 -0.561 -6.937 1.00 0.00 N ATOM 938 CA MET A 66 -3.571 -1.782 -6.171 1.00 0.00 C ATOM 939 C MET A 66 -4.639 -2.824 -6.488 1.00 0.00 C ATOM 940 O MET A 66 -4.358 -4.021 -6.533 1.00 0.00 O ATOM 941 CB MET A 66 -3.569 -1.475 -4.671 1.00 0.00 C ATOM 942 CG MET A 66 -2.181 -1.229 -4.103 1.00 0.00 C ATOM 943 SD MET A 66 -2.137 -1.342 -2.304 1.00 0.00 S ATOM 944 CE MET A 66 -3.399 -0.150 -1.859 1.00 0.00 C ATOM 0 H MET A 66 -4.168 0.216 -6.394 1.00 0.00 H new ATOM 0 HA MET A 66 -2.599 -2.187 -6.453 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.189 -0.597 -4.487 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.029 -2.307 -4.138 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.486 -1.954 -4.526 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.837 -0.241 -4.410 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.954 0.645 -1.261 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.832 0.276 -2.764 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.179 -0.645 -1.281 1.00 0.00 H new ATOM 954 N LYS A 67 -5.865 -2.360 -6.703 1.00 0.00 N ATOM 955 CA LYS A 67 -6.977 -3.251 -7.016 1.00 0.00 C ATOM 956 C LYS A 67 -6.768 -3.926 -8.369 1.00 0.00 C ATOM 957 O LYS A 67 -7.143 -5.083 -8.559 1.00 0.00 O ATOM 958 CB LYS A 67 -8.295 -2.474 -7.021 1.00 0.00 C ATOM 959 CG LYS A 67 -8.472 -1.582 -8.237 1.00 0.00 C ATOM 960 CD LYS A 67 -9.838 -0.918 -8.247 1.00 0.00 C ATOM 961 CE LYS A 67 -10.945 -1.923 -8.531 1.00 0.00 C ATOM 962 NZ LYS A 67 -10.738 -2.621 -9.831 1.00 0.00 N ATOM 0 H LYS A 67 -6.114 -1.372 -6.666 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.020 -4.022 -6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.124 -3.181 -6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.349 -1.862 -6.121 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.695 -0.818 -8.245 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.347 -2.173 -9.144 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.018 -0.439 -7.284 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.856 -0.132 -9.002 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.985 -2.657 -7.726 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.907 -1.411 -8.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.642 -3.013 -10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.375 -1.946 -10.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.052 -3.392 -9.706 1.00 0.00 H new ATOM 976 N ARG A 68 -6.167 -3.197 -9.302 1.00 0.00 N ATOM 977 CA ARG A 68 -5.908 -3.726 -10.636 1.00 0.00 C ATOM 978 C ARG A 68 -4.657 -4.598 -10.643 1.00 0.00 C ATOM 979 O ARG A 68 -4.496 -5.467 -11.501 1.00 0.00 O ATOM 980 CB ARG A 68 -5.750 -2.582 -11.640 1.00 0.00 C ATOM 981 CG ARG A 68 -4.509 -1.736 -11.409 1.00 0.00 C ATOM 982 CD ARG A 68 -4.092 -1.002 -12.674 1.00 0.00 C ATOM 983 NE ARG A 68 -5.243 -0.576 -13.465 1.00 0.00 N ATOM 984 CZ ARG A 68 -5.928 0.537 -13.225 1.00 0.00 C ATOM 985 NH1 ARG A 68 -5.579 1.332 -12.223 1.00 0.00 N ATOM 986 NH2 ARG A 68 -6.964 0.857 -13.989 1.00 0.00 N ATOM 0 H ARG A 68 -5.850 -2.238 -9.160 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.760 -4.341 -10.926 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.714 -2.996 -12.648 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.631 -1.942 -11.590 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.702 -1.014 -10.615 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.691 -2.372 -11.070 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.494 -0.131 -12.407 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.458 -1.652 -13.278 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.537 -1.165 -14.244 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.782 1.090 -11.634 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.107 2.186 -12.042 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.235 0.249 -14.761 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.489 1.712 -13.804 1.00 0.00 H new ATOM 1000 N LEU A 69 -3.772 -4.361 -9.681 1.00 0.00 N ATOM 1001 CA LEU A 69 -2.534 -5.125 -9.574 1.00 0.00 C ATOM 1002 C LEU A 69 -2.783 -6.475 -8.910 1.00 0.00 C ATOM 1003 O LEU A 69 -2.468 -7.523 -9.473 1.00 0.00 O ATOM 1004 CB LEU A 69 -1.492 -4.336 -8.780 1.00 0.00 C ATOM 1005 CG LEU A 69 -0.718 -3.273 -9.559 1.00 0.00 C ATOM 1006 CD1 LEU A 69 0.196 -2.490 -8.630 1.00 0.00 C ATOM 1007 CD2 LEU A 69 0.085 -3.913 -10.683 1.00 0.00 C ATOM 0 H LEU A 69 -3.889 -3.645 -8.964 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.156 -5.301 -10.581 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.994 -3.851 -7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.776 -5.041 -8.357 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.435 -2.580 -10.000 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.739 -1.738 -9.203 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.401 -2.000 -7.861 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.906 -3.170 -8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.629 -3.141 -11.227 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.792 -4.628 -10.263 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.591 -4.429 -11.365 1.00 0.00 H new ATOM 1019 N MET A 70 -3.350 -6.442 -7.709 1.00 0.00 N ATOM 1020 CA MET A 70 -3.645 -7.663 -6.968 1.00 0.00 C ATOM 1021 C MET A 70 -4.584 -8.567 -7.761 1.00 0.00 C ATOM 1022 O MET A 70 -4.598 -9.782 -7.569 1.00 0.00 O ATOM 1023 CB MET A 70 -4.267 -7.326 -5.613 1.00 0.00 C ATOM 1024 CG MET A 70 -3.244 -7.125 -4.506 1.00 0.00 C ATOM 1025 SD MET A 70 -2.473 -5.496 -4.562 1.00 0.00 S ATOM 1026 CE MET A 70 -1.843 -5.363 -2.890 1.00 0.00 C ATOM 0 H MET A 70 -3.615 -5.583 -7.228 1.00 0.00 H new ATOM 0 HA MET A 70 -2.707 -8.195 -6.806 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.865 -6.420 -5.712 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.948 -8.127 -5.326 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.729 -7.260 -3.539 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.473 -7.891 -4.586 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.417 -4.615 -2.343 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.934 -6.327 -2.389 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.795 -5.066 -2.919 1.00 0.00 H new ATOM 1036 N GLN A 71 -5.365 -7.965 -8.652 1.00 0.00 N ATOM 1037 CA GLN A 71 -6.307 -8.717 -9.473 1.00 0.00 C ATOM 1038 C GLN A 71 -5.574 -9.695 -10.384 1.00 0.00 C ATOM 1039 O GLN A 71 -5.944 -10.865 -10.478 1.00 0.00 O ATOM 1040 CB GLN A 71 -7.160 -7.763 -10.310 1.00 0.00 C ATOM 1041 CG GLN A 71 -8.503 -7.434 -9.679 1.00 0.00 C ATOM 1042 CD GLN A 71 -9.237 -6.328 -10.411 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -8.727 -5.765 -11.380 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -10.442 -6.010 -9.950 1.00 0.00 N ATOM 0 H GLN A 71 -5.364 -6.960 -8.824 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.957 -9.286 -8.808 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.606 -6.838 -10.468 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.328 -8.206 -11.292 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.123 -8.330 -9.667 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.350 -7.138 -8.641 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.826 -6.503 -9.144 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.983 -5.273 -10.402 1.00 0.00 H new ATOM 1053 N GLN A 72 -4.535 -9.209 -11.054 1.00 0.00 N ATOM 1054 CA GLN A 72 -3.750 -10.041 -11.958 1.00 0.00 C ATOM 1055 C GLN A 72 -3.155 -11.237 -11.220 1.00 0.00 C ATOM 1056 O GLN A 72 -2.927 -12.292 -11.811 1.00 0.00 O ATOM 1057 CB GLN A 72 -2.635 -9.219 -12.604 1.00 0.00 C ATOM 1058 CG GLN A 72 -1.340 -9.217 -11.808 1.00 0.00 C ATOM 1059 CD GLN A 72 -0.451 -8.036 -12.141 1.00 0.00 C ATOM 1060 OE1 GLN A 72 0.730 -8.201 -12.447 1.00 0.00 O ATOM 1061 NE2 GLN A 72 -1.014 -6.835 -12.085 1.00 0.00 N ATOM 0 H GLN A 72 -4.217 -8.242 -10.988 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.415 -10.413 -12.738 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.438 -9.611 -13.602 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.977 -8.192 -12.727 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.573 -9.203 -10.743 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.797 -10.142 -12.003 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.997 -6.744 -11.827 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.464 -6.003 -12.300 1.00 0.00 H new ATOM 1070 N SER A 73 -2.906 -11.062 -9.927 1.00 0.00 N ATOM 1071 CA SER A 73 -2.334 -12.125 -9.108 1.00 0.00 C ATOM 1072 C SER A 73 -3.366 -13.212 -8.829 1.00 0.00 C ATOM 1073 O SER A 73 -4.535 -12.923 -8.570 1.00 0.00 O ATOM 1074 CB SER A 73 -1.807 -11.555 -7.790 1.00 0.00 C ATOM 1075 OG SER A 73 -0.903 -10.487 -8.021 1.00 0.00 O ATOM 0 H SER A 73 -3.091 -10.195 -9.423 1.00 0.00 H new ATOM 0 HA SER A 73 -1.506 -12.569 -9.660 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.641 -11.204 -7.182 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.308 -12.342 -7.224 1.00 0.00 H new ATOM 0 HG SER A 73 -0.582 -10.139 -7.163 1.00 0.00 H new ATOM 1081 N VAL A 74 -2.927 -14.465 -8.883 1.00 0.00 N ATOM 1082 CA VAL A 74 -3.812 -15.597 -8.635 1.00 0.00 C ATOM 1083 C VAL A 74 -3.640 -16.129 -7.217 1.00 0.00 C ATOM 1084 O VAL A 74 -4.530 -16.786 -6.677 1.00 0.00 O ATOM 1085 CB VAL A 74 -3.555 -16.741 -9.635 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -3.650 -16.231 -11.065 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.198 -17.378 -9.376 1.00 0.00 C ATOM 0 H VAL A 74 -1.963 -14.722 -9.096 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.832 -15.235 -8.763 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.322 -17.503 -9.495 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.466 -17.053 -11.757 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.646 -15.825 -11.241 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.906 -15.450 -11.223 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.032 -18.184 -10.091 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.416 -16.627 -9.488 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.172 -17.780 -8.363 1.00 0.00 H new ATOM 1097 N GLU A 75 -2.489 -15.839 -6.618 1.00 0.00 N ATOM 1098 CA GLU A 75 -2.200 -16.289 -5.260 1.00 0.00 C ATOM 1099 C GLU A 75 -3.289 -15.834 -4.294 1.00 0.00 C ATOM 1100 O GLU A 75 -3.620 -14.650 -4.227 1.00 0.00 O ATOM 1101 CB GLU A 75 -0.841 -15.758 -4.802 1.00 0.00 C ATOM 1102 CG GLU A 75 0.274 -15.986 -5.809 1.00 0.00 C ATOM 1103 CD GLU A 75 0.357 -17.429 -6.268 1.00 0.00 C ATOM 1104 OE1 GLU A 75 0.372 -18.328 -5.402 1.00 0.00 O ATOM 1105 OE2 GLU A 75 0.410 -17.658 -7.495 1.00 0.00 O ATOM 0 H GLU A 75 -1.742 -15.295 -7.051 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.173 -17.379 -5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.926 -14.690 -4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.572 -16.237 -3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.115 -15.342 -6.674 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.226 -15.694 -5.365 1.00 0.00 H new ATOM 1112 N SER A 76 -3.843 -16.783 -3.546 1.00 0.00 N ATOM 1113 CA SER A 76 -4.898 -16.481 -2.585 1.00 0.00 C ATOM 1114 C SER A 76 -4.410 -15.488 -1.536 1.00 0.00 C ATOM 1115 O SER A 76 -5.207 -14.809 -0.887 1.00 0.00 O ATOM 1116 CB SER A 76 -5.380 -17.764 -1.904 1.00 0.00 C ATOM 1117 OG SER A 76 -5.653 -18.776 -2.858 1.00 0.00 O ATOM 0 H SER A 76 -3.579 -17.767 -3.587 1.00 0.00 H new ATOM 0 HA SER A 76 -5.730 -16.031 -3.127 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.622 -18.115 -1.204 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.278 -17.556 -1.323 1.00 0.00 H new ATOM 0 HG SER A 76 -5.958 -19.586 -2.398 1.00 0.00 H new ATOM 1123 N VAL A 77 -3.093 -15.406 -1.376 1.00 0.00 N ATOM 1124 CA VAL A 77 -2.496 -14.494 -0.406 1.00 0.00 C ATOM 1125 C VAL A 77 -2.682 -13.042 -0.830 1.00 0.00 C ATOM 1126 O VAL A 77 -2.915 -12.167 0.002 1.00 0.00 O ATOM 1127 CB VAL A 77 -0.992 -14.776 -0.223 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -0.260 -14.652 -1.551 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -0.396 -13.835 0.813 1.00 0.00 C ATOM 0 H VAL A 77 -2.419 -15.959 -1.905 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.008 -14.660 0.542 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.873 -15.798 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.801 -14.854 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.670 -15.370 -2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.385 -13.642 -1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.667 -14.048 0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.525 -12.804 0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.902 -13.978 1.768 1.00 0.00 H new ATOM 1139 N TRP A 78 -2.576 -12.794 -2.130 1.00 0.00 N ATOM 1140 CA TRP A 78 -2.733 -11.446 -2.666 1.00 0.00 C ATOM 1141 C TRP A 78 -4.202 -11.036 -2.686 1.00 0.00 C ATOM 1142 O TRP A 78 -4.541 -9.893 -2.385 1.00 0.00 O ATOM 1143 CB TRP A 78 -2.149 -11.365 -4.077 1.00 0.00 C ATOM 1144 CG TRP A 78 -0.668 -11.140 -4.094 1.00 0.00 C ATOM 1145 CD1 TRP A 78 0.289 -12.012 -4.529 1.00 0.00 C ATOM 1146 CD2 TRP A 78 0.026 -9.967 -3.655 1.00 0.00 C ATOM 1147 NE1 TRP A 78 1.536 -11.451 -4.387 1.00 0.00 N ATOM 1148 CE2 TRP A 78 1.402 -10.198 -3.854 1.00 0.00 C ATOM 1149 CE3 TRP A 78 -0.381 -8.743 -3.115 1.00 0.00 C ATOM 1150 CZ2 TRP A 78 2.369 -9.249 -3.531 1.00 0.00 C ATOM 1151 CZ3 TRP A 78 0.581 -7.804 -2.795 1.00 0.00 C ATOM 1152 CH2 TRP A 78 1.942 -8.061 -3.004 1.00 0.00 C ATOM 0 H TRP A 78 -2.382 -13.508 -2.833 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.192 -10.758 -2.016 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.375 -12.289 -4.610 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -2.639 -10.556 -4.619 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.095 -12.997 -4.926 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.418 -11.897 -4.638 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -1.428 -8.535 -2.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 3.419 -9.444 -3.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.278 -6.856 -2.377 1.00 0.00 H new ATOM 0 HH2 TRP A 78 2.669 -7.306 -2.744 1.00 0.00 H new ATOM 1163 N ASN A 79 -5.070 -11.978 -3.042 1.00 0.00 N ATOM 1164 CA ASN A 79 -6.503 -11.713 -3.102 1.00 0.00 C ATOM 1165 C ASN A 79 -7.080 -11.527 -1.702 1.00 0.00 C ATOM 1166 O ASN A 79 -7.899 -10.637 -1.470 1.00 0.00 O ATOM 1167 CB ASN A 79 -7.226 -12.858 -3.815 1.00 0.00 C ATOM 1168 CG ASN A 79 -6.892 -12.920 -5.294 1.00 0.00 C ATOM 1169 OD1 ASN A 79 -7.473 -12.196 -6.102 1.00 0.00 O ATOM 1170 ND2 ASN A 79 -5.953 -13.788 -5.653 1.00 0.00 N ATOM 0 H ASN A 79 -4.806 -12.931 -3.293 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.653 -10.791 -3.664 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.956 -13.803 -3.344 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.302 -12.737 -3.693 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.687 -13.875 -6.634 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.498 -14.368 -4.948 1.00 0.00 H new ATOM 1177 N MET A 80 -6.647 -12.372 -0.772 1.00 0.00 N ATOM 1178 CA MET A 80 -7.119 -12.299 0.606 1.00 0.00 C ATOM 1179 C MET A 80 -6.559 -11.066 1.309 1.00 0.00 C ATOM 1180 O MET A 80 -7.261 -10.401 2.069 1.00 0.00 O ATOM 1181 CB MET A 80 -6.721 -13.562 1.371 1.00 0.00 C ATOM 1182 CG MET A 80 -7.593 -14.766 1.054 1.00 0.00 C ATOM 1183 SD MET A 80 -7.703 -15.927 2.429 1.00 0.00 S ATOM 1184 CE MET A 80 -7.518 -17.487 1.571 1.00 0.00 C ATOM 0 H MET A 80 -5.970 -13.115 -0.947 1.00 0.00 H new ATOM 0 HA MET A 80 -8.206 -12.221 0.588 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.684 -13.805 1.140 1.00 0.00 H new ATOM 0 HB3 MET A 80 -6.771 -13.359 2.441 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.594 -14.425 0.791 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.192 -15.280 0.181 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.565 -18.305 2.290 1.00 0.00 H new ATOM 0 HE2 MET A 80 -8.320 -17.598 0.842 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.556 -17.509 1.059 1.00 0.00 H new ATOM 1194 N ALA A 81 -5.290 -10.768 1.048 1.00 0.00 N ATOM 1195 CA ALA A 81 -4.636 -9.615 1.654 1.00 0.00 C ATOM 1196 C ALA A 81 -5.340 -8.319 1.267 1.00 0.00 C ATOM 1197 O ALA A 81 -5.681 -7.505 2.125 1.00 0.00 O ATOM 1198 CB ALA A 81 -3.171 -9.564 1.246 1.00 0.00 C ATOM 0 H ALA A 81 -4.695 -11.309 0.421 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.697 -9.722 2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.695 -8.698 1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.669 -10.473 1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.098 -9.485 0.161 1.00 0.00 H new ATOM 1204 N PHE A 82 -5.554 -8.132 -0.031 1.00 0.00 N ATOM 1205 CA PHE A 82 -6.215 -6.933 -0.533 1.00 0.00 C ATOM 1206 C PHE A 82 -7.564 -6.730 0.151 1.00 0.00 C ATOM 1207 O PHE A 82 -7.946 -5.605 0.474 1.00 0.00 O ATOM 1208 CB PHE A 82 -6.408 -7.026 -2.048 1.00 0.00 C ATOM 1209 CG PHE A 82 -7.073 -5.819 -2.643 1.00 0.00 C ATOM 1210 CD1 PHE A 82 -6.431 -4.590 -2.649 1.00 0.00 C ATOM 1211 CD2 PHE A 82 -8.340 -5.911 -3.197 1.00 0.00 C ATOM 1212 CE1 PHE A 82 -7.041 -3.477 -3.196 1.00 0.00 C ATOM 1213 CE2 PHE A 82 -8.954 -4.802 -3.746 1.00 0.00 C ATOM 1214 CZ PHE A 82 -8.304 -3.583 -3.745 1.00 0.00 C ATOM 0 H PHE A 82 -5.279 -8.796 -0.755 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.579 -6.077 -0.307 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.436 -7.166 -2.522 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.005 -7.909 -2.277 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.443 -4.502 -2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.853 -6.861 -3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.531 -2.525 -3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.941 -4.888 -4.176 1.00 0.00 H new ATOM 0 HZ PHE A 82 -8.783 -2.714 -4.173 1.00 0.00 H new ATOM 1224 N ASP A 83 -8.281 -7.827 0.369 1.00 0.00 N ATOM 1225 CA ASP A 83 -9.588 -7.771 1.014 1.00 0.00 C ATOM 1226 C ASP A 83 -9.485 -7.129 2.393 1.00 0.00 C ATOM 1227 O ASP A 83 -10.310 -6.293 2.764 1.00 0.00 O ATOM 1228 CB ASP A 83 -10.181 -9.175 1.135 1.00 0.00 C ATOM 1229 CG ASP A 83 -10.694 -9.703 -0.190 1.00 0.00 C ATOM 1230 OD1 ASP A 83 -10.570 -8.984 -1.204 1.00 0.00 O ATOM 1231 OD2 ASP A 83 -11.220 -10.836 -0.214 1.00 0.00 O ATOM 0 H ASP A 83 -7.979 -8.766 0.109 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.245 -7.160 0.396 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.423 -9.854 1.524 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.997 -9.161 1.857 1.00 0.00 H new ATOM 1236 N PHE A 84 -8.467 -7.524 3.150 1.00 0.00 N ATOM 1237 CA PHE A 84 -8.257 -6.988 4.491 1.00 0.00 C ATOM 1238 C PHE A 84 -7.685 -5.575 4.428 1.00 0.00 C ATOM 1239 O PHE A 84 -8.092 -4.695 5.187 1.00 0.00 O ATOM 1240 CB PHE A 84 -7.317 -7.897 5.284 1.00 0.00 C ATOM 1241 CG PHE A 84 -6.898 -7.318 6.606 1.00 0.00 C ATOM 1242 CD1 PHE A 84 -5.776 -6.510 6.698 1.00 0.00 C ATOM 1243 CD2 PHE A 84 -7.626 -7.582 7.755 1.00 0.00 C ATOM 1244 CE1 PHE A 84 -5.389 -5.977 7.913 1.00 0.00 C ATOM 1245 CE2 PHE A 84 -7.243 -7.051 8.972 1.00 0.00 C ATOM 1246 CZ PHE A 84 -6.123 -6.247 9.051 1.00 0.00 C ATOM 0 H PHE A 84 -7.774 -8.213 2.858 1.00 0.00 H new ATOM 0 HA PHE A 84 -9.223 -6.947 4.995 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.809 -8.855 5.455 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.428 -8.098 4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -5.198 -6.295 5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.503 -8.210 7.699 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.512 -5.349 7.972 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.819 -7.265 9.860 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.822 -5.830 10.001 1.00 0.00 H new ATOM 1256 N ILE A 85 -6.738 -5.367 3.519 1.00 0.00 N ATOM 1257 CA ILE A 85 -6.109 -4.062 3.357 1.00 0.00 C ATOM 1258 C ILE A 85 -7.135 -3.003 2.965 1.00 0.00 C ATOM 1259 O ILE A 85 -7.295 -1.994 3.653 1.00 0.00 O ATOM 1260 CB ILE A 85 -4.997 -4.101 2.292 1.00 0.00 C ATOM 1261 CG1 ILE A 85 -3.915 -5.106 2.691 1.00 0.00 C ATOM 1262 CG2 ILE A 85 -4.397 -2.716 2.103 1.00 0.00 C ATOM 1263 CD1 ILE A 85 -3.132 -5.649 1.515 1.00 0.00 C ATOM 0 H ILE A 85 -6.390 -6.085 2.884 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.670 -3.802 4.320 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.432 -4.420 1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.225 -4.628 3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.380 -5.936 3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.613 -2.759 1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.174 -2.024 1.780 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.973 -2.371 3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.382 -6.355 1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.811 -6.156 0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.638 -4.827 0.996 1.00 0.00 H new ATOM 1275 N LEU A 86 -7.829 -3.240 1.858 1.00 0.00 N ATOM 1276 CA LEU A 86 -8.842 -2.308 1.374 1.00 0.00 C ATOM 1277 C LEU A 86 -9.888 -2.033 2.451 1.00 0.00 C ATOM 1278 O LEU A 86 -10.412 -0.924 2.552 1.00 0.00 O ATOM 1279 CB LEU A 86 -9.519 -2.865 0.121 1.00 0.00 C ATOM 1280 CG LEU A 86 -10.622 -3.897 0.355 1.00 0.00 C ATOM 1281 CD1 LEU A 86 -11.970 -3.210 0.519 1.00 0.00 C ATOM 1282 CD2 LEU A 86 -10.667 -4.899 -0.789 1.00 0.00 C ATOM 0 H LEU A 86 -7.709 -4.070 1.278 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.347 -1.369 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.942 -2.031 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.754 -3.318 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.398 -4.437 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.743 -3.960 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.932 -2.533 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.202 -2.643 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.458 -5.626 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.866 -4.375 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.709 -5.415 -0.859 1.00 0.00 H new ATOM 1294 N ASP A 87 -10.182 -3.050 3.255 1.00 0.00 N ATOM 1295 CA ASP A 87 -11.161 -2.917 4.327 1.00 0.00 C ATOM 1296 C ASP A 87 -10.617 -2.049 5.457 1.00 0.00 C ATOM 1297 O ASP A 87 -11.373 -1.374 6.154 1.00 0.00 O ATOM 1298 CB ASP A 87 -11.549 -4.295 4.866 1.00 0.00 C ATOM 1299 CG ASP A 87 -12.678 -4.225 5.876 1.00 0.00 C ATOM 1300 OD1 ASP A 87 -13.294 -3.147 6.004 1.00 0.00 O ATOM 1301 OD2 ASP A 87 -12.944 -5.250 6.537 1.00 0.00 O ATOM 0 H ASP A 87 -9.756 -3.974 3.184 1.00 0.00 H new ATOM 0 HA ASP A 87 -12.048 -2.433 3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.847 -4.936 4.036 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.679 -4.759 5.330 1.00 0.00 H new ATOM 1306 N ASN A 88 -9.299 -2.073 5.633 1.00 0.00 N ATOM 1307 CA ASN A 88 -8.653 -1.290 6.679 1.00 0.00 C ATOM 1308 C ASN A 88 -8.573 0.182 6.286 1.00 0.00 C ATOM 1309 O ASN A 88 -8.812 1.069 7.104 1.00 0.00 O ATOM 1310 CB ASN A 88 -7.251 -1.833 6.959 1.00 0.00 C ATOM 1311 CG ASN A 88 -7.219 -2.767 8.154 1.00 0.00 C ATOM 1312 OD1 ASN A 88 -6.542 -2.500 9.146 1.00 0.00 O ATOM 1313 ND2 ASN A 88 -7.955 -3.868 8.062 1.00 0.00 N ATOM 0 H ASN A 88 -8.658 -2.627 5.064 1.00 0.00 H new ATOM 0 HA ASN A 88 -9.254 -1.373 7.584 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.887 -2.362 6.078 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.570 -1.000 7.134 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.975 -4.534 8.834 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.501 -4.048 7.219 1.00 0.00 H new ATOM 1320 N VAL A 89 -8.234 0.434 5.025 1.00 0.00 N ATOM 1321 CA VAL A 89 -8.122 1.797 4.522 1.00 0.00 C ATOM 1322 C VAL A 89 -9.495 2.444 4.378 1.00 0.00 C ATOM 1323 O VAL A 89 -9.640 3.656 4.535 1.00 0.00 O ATOM 1324 CB VAL A 89 -7.405 1.836 3.159 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -6.057 1.136 3.246 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -8.274 1.206 2.082 1.00 0.00 C ATOM 0 H VAL A 89 -8.032 -0.289 4.334 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.534 2.355 5.250 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.230 2.877 2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.564 1.173 2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.434 1.636 3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.205 0.096 3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.752 1.242 1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.482 0.168 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.212 1.755 2.004 1.00 0.00 H new ATOM 1336 N GLN A 90 -10.500 1.626 4.080 1.00 0.00 N ATOM 1337 CA GLN A 90 -11.863 2.120 3.916 1.00 0.00 C ATOM 1338 C GLN A 90 -12.518 2.371 5.271 1.00 0.00 C ATOM 1339 O GLN A 90 -13.387 3.233 5.400 1.00 0.00 O ATOM 1340 CB GLN A 90 -12.696 1.121 3.111 1.00 0.00 C ATOM 1341 CG GLN A 90 -12.403 1.147 1.620 1.00 0.00 C ATOM 1342 CD GLN A 90 -12.341 2.556 1.062 1.00 0.00 C ATOM 1343 OE1 GLN A 90 -11.444 2.890 0.288 1.00 0.00 O ATOM 1344 NE2 GLN A 90 -13.296 3.391 1.453 1.00 0.00 N ATOM 0 H GLN A 90 -10.397 0.620 3.947 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.818 3.065 3.374 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.511 0.116 3.492 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.754 1.332 3.269 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -11.455 0.643 1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.173 0.585 1.092 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -14.021 3.072 2.096 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -13.305 4.352 1.110 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.095 1.612 6.277 1.00 0.00 N ATOM 1354 CA VAL A 91 -12.640 1.753 7.622 1.00 0.00 C ATOM 1355 C VAL A 91 -11.998 2.926 8.355 1.00 0.00 C ATOM 1356 O VAL A 91 -12.687 3.739 8.970 1.00 0.00 O ATOM 1357 CB VAL A 91 -12.434 0.470 8.449 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -12.591 0.760 9.933 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -13.404 -0.612 8.002 1.00 0.00 C ATOM 0 H VAL A 91 -11.377 0.893 6.186 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.709 1.938 7.513 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.420 0.108 8.281 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.442 -0.158 10.501 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.852 1.500 10.239 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.592 1.146 10.124 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.245 -1.512 8.597 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.427 -0.263 8.139 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.236 -0.839 6.949 1.00 0.00 H new ATOM 1369 N VAL A 92 -10.673 3.007 8.284 1.00 0.00 N ATOM 1370 CA VAL A 92 -9.936 4.081 8.940 1.00 0.00 C ATOM 1371 C VAL A 92 -10.483 5.446 8.538 1.00 0.00 C ATOM 1372 O VAL A 92 -10.664 6.327 9.380 1.00 0.00 O ATOM 1373 CB VAL A 92 -8.435 4.021 8.600 1.00 0.00 C ATOM 1374 CG1 VAL A 92 -8.227 4.020 7.094 1.00 0.00 C ATOM 1375 CG2 VAL A 92 -7.696 5.181 9.249 1.00 0.00 C ATOM 0 H VAL A 92 -10.088 2.342 7.779 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.063 3.943 10.014 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.027 3.092 8.998 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.160 3.977 6.874 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.722 3.152 6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.649 4.930 6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.637 5.123 8.999 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.105 6.123 8.883 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.816 5.129 10.331 1.00 0.00 H new ATOM 1385 N LEU A 93 -10.743 5.616 7.246 1.00 0.00 N ATOM 1386 CA LEU A 93 -11.270 6.875 6.731 1.00 0.00 C ATOM 1387 C LEU A 93 -12.742 7.039 7.092 1.00 0.00 C ATOM 1388 O LEU A 93 -13.242 8.157 7.208 1.00 0.00 O ATOM 1389 CB LEU A 93 -11.095 6.941 5.213 1.00 0.00 C ATOM 1390 CG LEU A 93 -12.238 6.359 4.380 1.00 0.00 C ATOM 1391 CD1 LEU A 93 -13.289 7.422 4.101 1.00 0.00 C ATOM 1392 CD2 LEU A 93 -11.707 5.777 3.078 1.00 0.00 C ATOM 0 H LEU A 93 -10.597 4.898 6.536 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.710 7.689 7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.959 7.984 4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.177 6.416 4.950 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.705 5.556 4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -14.095 6.990 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.691 7.792 5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.835 8.247 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.534 5.367 2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.214 6.561 2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.991 4.985 3.299 1.00 0.00 H new ATOM 1404 N GLN A 94 -13.430 5.916 7.271 1.00 0.00 N ATOM 1405 CA GLN A 94 -14.845 5.934 7.621 1.00 0.00 C ATOM 1406 C GLN A 94 -15.049 6.477 9.032 1.00 0.00 C ATOM 1407 O GLN A 94 -16.120 6.985 9.362 1.00 0.00 O ATOM 1408 CB GLN A 94 -15.439 4.529 7.512 1.00 0.00 C ATOM 1409 CG GLN A 94 -16.813 4.397 8.149 1.00 0.00 C ATOM 1410 CD GLN A 94 -17.422 3.024 7.942 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -18.600 2.900 7.604 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -16.621 1.984 8.145 1.00 0.00 N ATOM 0 H GLN A 94 -13.030 4.982 7.179 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.358 6.592 6.919 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.508 4.254 6.460 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.760 3.819 7.984 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.735 4.598 9.217 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.478 5.152 7.730 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.651 2.134 8.424 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.975 1.036 8.022 1.00 0.00 H new ATOM 1421 N GLN A 95 -14.016 6.364 9.860 1.00 0.00 N ATOM 1422 CA GLN A 95 -14.084 6.843 11.235 1.00 0.00 C ATOM 1423 C GLN A 95 -13.883 8.354 11.297 1.00 0.00 C ATOM 1424 O GLN A 95 -14.479 9.037 12.130 1.00 0.00 O ATOM 1425 CB GLN A 95 -13.030 6.142 12.094 1.00 0.00 C ATOM 1426 CG GLN A 95 -13.090 4.625 12.013 1.00 0.00 C ATOM 1427 CD GLN A 95 -12.611 3.953 13.285 1.00 0.00 C ATOM 1428 OE1 GLN A 95 -13.404 3.649 14.177 1.00 0.00 O ATOM 1429 NE2 GLN A 95 -11.307 3.717 13.375 1.00 0.00 N ATOM 0 H GLN A 95 -13.122 5.945 9.603 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.075 6.610 11.625 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.040 6.475 11.783 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.158 6.447 13.132 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.115 4.316 11.807 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.481 4.285 11.176 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.686 3.986 12.612 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.926 3.267 14.208 1.00 0.00 H new ATOM 1438 N THR A 96 -13.040 8.871 10.408 1.00 0.00 N ATOM 1439 CA THR A 96 -12.760 10.300 10.362 1.00 0.00 C ATOM 1440 C THR A 96 -13.783 11.033 9.502 1.00 0.00 C ATOM 1441 O THR A 96 -14.111 12.191 9.762 1.00 0.00 O ATOM 1442 CB THR A 96 -11.349 10.578 9.811 1.00 0.00 C ATOM 1443 OG1 THR A 96 -10.994 11.946 10.042 1.00 0.00 O ATOM 1444 CG2 THR A 96 -11.281 10.277 8.322 1.00 0.00 C ATOM 0 H THR A 96 -12.540 8.321 9.710 1.00 0.00 H new ATOM 0 HA THR A 96 -12.821 10.668 11.386 1.00 0.00 H new ATOM 0 HB THR A 96 -10.645 9.927 10.330 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.095 12.115 9.690 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.275 10.481 7.955 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.524 9.228 8.151 1.00 0.00 H new ATOM 0 HG23 THR A 96 -11.995 10.906 7.791 1.00 0.00 H new ATOM 1452 N TYR A 97 -14.285 10.352 8.477 1.00 0.00 N ATOM 1453 CA TYR A 97 -15.270 10.940 7.577 1.00 0.00 C ATOM 1454 C TYR A 97 -16.685 10.548 7.988 1.00 0.00 C ATOM 1455 O TYR A 97 -17.550 11.403 8.173 1.00 0.00 O ATOM 1456 CB TYR A 97 -15.003 10.499 6.137 1.00 0.00 C ATOM 1457 CG TYR A 97 -13.878 11.257 5.470 1.00 0.00 C ATOM 1458 CD1 TYR A 97 -14.077 12.538 4.970 1.00 0.00 C ATOM 1459 CD2 TYR A 97 -12.615 10.692 5.339 1.00 0.00 C ATOM 1460 CE1 TYR A 97 -13.052 13.234 4.358 1.00 0.00 C ATOM 1461 CE2 TYR A 97 -11.584 11.382 4.731 1.00 0.00 C ATOM 1462 CZ TYR A 97 -11.807 12.652 4.243 1.00 0.00 C ATOM 1463 OH TYR A 97 -10.783 13.341 3.635 1.00 0.00 O ATOM 0 H TYR A 97 -14.026 9.392 8.249 1.00 0.00 H new ATOM 0 HA TYR A 97 -15.181 12.025 7.640 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -14.767 9.435 6.130 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -15.914 10.628 5.552 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -15.050 12.998 5.061 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.437 9.697 5.719 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -13.225 14.228 3.972 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.608 10.929 4.638 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.046 13.459 4.270 1.00 0.00 H new ATOM 1473 N GLY A 98 -16.914 9.245 8.129 1.00 0.00 N ATOM 1474 CA GLY A 98 -18.225 8.760 8.516 1.00 0.00 C ATOM 1475 C GLY A 98 -18.780 7.744 7.538 1.00 0.00 C ATOM 1476 O GLY A 98 -19.571 6.879 7.913 1.00 0.00 O ATOM 0 H GLY A 98 -16.214 8.518 7.982 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.164 8.310 9.507 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.913 9.602 8.590 1.00 0.00 H new ATOM 1480 N SER A 99 -18.368 7.852 6.280 1.00 0.00 N ATOM 1481 CA SER A 99 -18.834 6.939 5.242 1.00 0.00 C ATOM 1482 C SER A 99 -17.658 6.274 4.535 1.00 0.00 C ATOM 1483 O SER A 99 -16.499 6.484 4.898 1.00 0.00 O ATOM 1484 CB SER A 99 -19.698 7.688 4.225 1.00 0.00 C ATOM 1485 OG SER A 99 -20.505 6.790 3.482 1.00 0.00 O ATOM 0 H SER A 99 -17.713 8.562 5.954 1.00 0.00 H new ATOM 0 HA SER A 99 -19.435 6.164 5.718 1.00 0.00 H new ATOM 0 HB2 SER A 99 -20.332 8.409 4.742 1.00 0.00 H new ATOM 0 HB3 SER A 99 -19.059 8.254 3.547 1.00 0.00 H new ATOM 0 HG SER A 99 -21.049 7.293 2.840 1.00 0.00 H new ATOM 1491 N THR A 100 -17.962 5.468 3.522 1.00 0.00 N ATOM 1492 CA THR A 100 -16.932 4.769 2.764 1.00 0.00 C ATOM 1493 C THR A 100 -16.902 5.240 1.315 1.00 0.00 C ATOM 1494 O THR A 100 -17.803 5.948 0.861 1.00 0.00 O ATOM 1495 CB THR A 100 -17.149 3.245 2.792 1.00 0.00 C ATOM 1496 OG1 THR A 100 -18.453 2.927 2.294 1.00 0.00 O ATOM 1497 CG2 THR A 100 -16.993 2.702 4.205 1.00 0.00 C ATOM 0 H THR A 100 -18.915 5.283 3.208 1.00 0.00 H new ATOM 0 HA THR A 100 -15.979 5.001 3.239 1.00 0.00 H new ATOM 0 HB THR A 100 -16.395 2.781 2.156 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.583 1.956 2.313 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.151 1.623 4.200 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.989 2.920 4.570 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.727 3.173 4.859 1.00 0.00 H new ATOM 1505 N LEU A 101 -15.861 4.843 0.590 1.00 0.00 N ATOM 1506 CA LEU A 101 -15.714 5.224 -0.811 1.00 0.00 C ATOM 1507 C LEU A 101 -15.861 4.011 -1.724 1.00 0.00 C ATOM 1508 O LEU A 101 -15.439 2.907 -1.379 1.00 0.00 O ATOM 1509 CB LEU A 101 -14.354 5.886 -1.040 1.00 0.00 C ATOM 1510 CG LEU A 101 -13.244 4.975 -1.561 1.00 0.00 C ATOM 1511 CD1 LEU A 101 -13.247 4.945 -3.082 1.00 0.00 C ATOM 1512 CD2 LEU A 101 -11.889 5.432 -1.039 1.00 0.00 C ATOM 0 H LEU A 101 -15.107 4.258 0.949 1.00 0.00 H new ATOM 0 HA LEU A 101 -16.504 5.936 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -14.486 6.705 -1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.024 6.326 -0.099 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.430 3.965 -1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -12.449 4.291 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -14.207 4.570 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -13.087 5.952 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -11.110 4.771 -1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -11.695 6.451 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -11.889 5.401 0.051 1.00 0.00 H new ATOM 1524 N LYS A 102 -16.462 4.223 -2.890 1.00 0.00 N ATOM 1525 CA LYS A 102 -16.663 3.150 -3.855 1.00 0.00 C ATOM 1526 C LYS A 102 -15.349 2.775 -4.533 1.00 0.00 C ATOM 1527 O LYS A 102 -14.716 3.607 -5.186 1.00 0.00 O ATOM 1528 CB LYS A 102 -17.691 3.568 -4.907 1.00 0.00 C ATOM 1529 CG LYS A 102 -18.115 2.436 -5.828 1.00 0.00 C ATOM 1530 CD LYS A 102 -18.776 1.306 -5.055 1.00 0.00 C ATOM 1531 CE LYS A 102 -19.204 0.176 -5.977 1.00 0.00 C ATOM 1532 NZ LYS A 102 -20.468 0.495 -6.697 1.00 0.00 N ATOM 0 H LYS A 102 -16.819 5.130 -3.189 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.036 2.278 -3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.573 3.965 -4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -17.275 4.377 -5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -18.806 2.817 -6.580 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -17.244 2.053 -6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -18.084 0.923 -4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -19.645 1.689 -4.520 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -18.413 -0.021 -6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -19.338 -0.736 -5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -20.726 -0.301 -7.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -21.229 0.658 -6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -20.333 1.351 -7.272 1.00 0.00 H new