USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 810 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 14 TYR OH : rot 35:sc= 1.25 USER MOD Set 1.2: A 103 SER OG : rot -11:sc= 0.245 USER MOD Set 2.1: A 38 SER OG : rot -47:sc= 0.174 USER MOD Set 2.2: A 93 ASN : amide:sc= -3.79! C(o=-3.6!,f=-4.4!) USER MOD Set 3.1: A 65 ASN : amide:sc= -0.264 K(o=-0.38,f=-0.97) USER MOD Set 3.2: A 68 THR OG1 : rot -160:sc= -0.121 USER MOD Set 4.1: A 32 SER OG : rot 180:sc=-0.00327 USER MOD Set 4.2: A 33 ASN : amide:sc= 0 X(o=-0.0033,f=-0.3) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -85:sc= -1.79 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.014) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0556 K(o=-0.056,f=-1.4!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 140:sc= -1.63 USER MOD Single : A 70 THR OG1 : rot -170:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -51:sc= 1.17 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -3.63! C(o=-3.6!,f=-6.7!) USER MOD Single : A 79 LYS NZ :NH3+ -124:sc=-0.00164 (180deg=-0.699) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.961 K(o=-0.96,f=-1.7) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -40:sc= -1.6 USER MOD Single : A 101 THR OG1 : rot 35:sc= 0.0495 USER MOD Single : A 102 GLN : amide:sc= -1.44 K(o=-1.4,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -10.436 -15.534 1.869 1.00 0.00 N ATOM 67 CA LEU A 8 -10.362 -14.095 1.637 1.00 0.00 C ATOM 68 C LEU A 8 -9.253 -13.465 2.474 1.00 0.00 C ATOM 69 O LEU A 8 -9.005 -13.856 3.615 1.00 0.00 O ATOM 70 CB LEU A 8 -11.702 -13.435 1.965 1.00 0.00 C ATOM 71 CG LEU A 8 -12.883 -13.840 1.081 1.00 0.00 C ATOM 72 CD1 LEU A 8 -14.190 -13.719 1.849 1.00 0.00 C ATOM 73 CD2 LEU A 8 -12.922 -12.988 -0.179 1.00 0.00 C ATOM 0 HA LEU A 8 -10.134 -13.933 0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.953 -13.664 3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.578 -12.354 1.899 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.753 -14.882 0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.019 -14.011 1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.161 -14.372 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.328 -12.687 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.768 -13.290 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.028 -11.938 0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.997 -13.125 -0.739 1.00 0.00 H new ATOM 85 N PRO A 9 -8.571 -12.465 1.896 1.00 0.00 N ATOM 86 CA PRO A 9 -7.480 -11.757 2.573 1.00 0.00 C ATOM 87 C PRO A 9 -7.978 -10.886 3.721 1.00 0.00 C ATOM 88 O PRO A 9 -8.970 -10.172 3.584 1.00 0.00 O ATOM 89 CB PRO A 9 -6.879 -10.889 1.464 1.00 0.00 C ATOM 90 CG PRO A 9 -7.993 -10.688 0.496 1.00 0.00 C ATOM 91 CD PRO A 9 -8.813 -11.947 0.539 1.00 0.00 C ATOM 0 HA PRO A 9 -6.768 -12.445 3.028 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.519 -9.938 1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.029 -11.382 0.992 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.595 -9.821 0.769 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.609 -10.507 -0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.870 -11.744 0.369 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.498 -12.658 -0.225 1.00 0.00 H new ATOM 99 N GLN A 10 -7.282 -10.950 4.851 1.00 0.00 N ATOM 100 CA GLN A 10 -7.655 -10.167 6.023 1.00 0.00 C ATOM 101 C GLN A 10 -6.521 -9.235 6.438 1.00 0.00 C ATOM 102 O GLN A 10 -5.347 -9.601 6.375 1.00 0.00 O ATOM 103 CB GLN A 10 -8.022 -11.091 7.185 1.00 0.00 C ATOM 104 CG GLN A 10 -8.477 -10.350 8.432 1.00 0.00 C ATOM 105 CD GLN A 10 -9.078 -11.273 9.473 1.00 0.00 C ATOM 106 OE1 GLN A 10 -10.156 -11.835 9.274 1.00 0.00 O ATOM 107 NE2 GLN A 10 -8.383 -11.435 10.593 1.00 0.00 N ATOM 0 H GLN A 10 -6.457 -11.536 4.980 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.523 -9.561 5.762 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.815 -11.767 6.864 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.159 -11.708 7.434 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.628 -9.823 8.867 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.212 -9.595 8.153 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.494 -10.950 10.716 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.738 -12.044 11.330 1.00 0.00 H new ATOM 116 N VAL A 11 -6.879 -8.027 6.862 1.00 0.00 N ATOM 117 CA VAL A 11 -5.892 -7.042 7.288 1.00 0.00 C ATOM 118 C VAL A 11 -6.221 -6.498 8.674 1.00 0.00 C ATOM 119 O VAL A 11 -7.015 -5.568 8.813 1.00 0.00 O ATOM 120 CB VAL A 11 -5.806 -5.868 6.295 1.00 0.00 C ATOM 121 CG1 VAL A 11 -4.900 -4.774 6.839 1.00 0.00 C ATOM 122 CG2 VAL A 11 -5.316 -6.353 4.939 1.00 0.00 C ATOM 0 H VAL A 11 -7.846 -7.707 6.920 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.929 -7.552 7.320 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.804 -5.449 6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.851 -3.953 6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.299 -4.408 7.785 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.899 -5.176 6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.261 -5.511 4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.327 -6.798 5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.008 -7.098 4.547 1.00 0.00 H new ATOM 132 N GLU A 12 -5.606 -7.085 9.696 1.00 0.00 N ATOM 133 CA GLU A 12 -5.834 -6.659 11.071 1.00 0.00 C ATOM 134 C GLU A 12 -5.408 -5.207 11.269 1.00 0.00 C ATOM 135 O GLU A 12 -6.224 -4.349 11.605 1.00 0.00 O ATOM 136 CB GLU A 12 -5.071 -7.562 12.042 1.00 0.00 C ATOM 137 CG GLU A 12 -5.674 -7.604 13.436 1.00 0.00 C ATOM 138 CD GLU A 12 -5.704 -6.241 14.100 1.00 0.00 C ATOM 139 OE1 GLU A 12 -4.651 -5.810 14.616 1.00 0.00 O ATOM 140 OE2 GLU A 12 -6.779 -5.605 14.103 1.00 0.00 O ATOM 0 H GLU A 12 -4.946 -7.857 9.597 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.902 -6.738 11.276 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.042 -8.574 11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.040 -7.217 12.112 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.689 -7.998 13.377 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.100 -8.293 14.055 1.00 0.00 H new ATOM 147 N ALA A 13 -4.123 -4.940 11.058 1.00 0.00 N ATOM 148 CA ALA A 13 -3.588 -3.593 11.211 1.00 0.00 C ATOM 149 C ALA A 13 -2.408 -3.361 10.273 1.00 0.00 C ATOM 150 O ALA A 13 -2.021 -4.250 9.514 1.00 0.00 O ATOM 151 CB ALA A 13 -3.172 -3.351 12.654 1.00 0.00 C ATOM 0 H ALA A 13 -3.434 -5.639 10.781 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.374 -2.885 10.947 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.774 -2.341 12.754 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.038 -3.466 13.306 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.406 -4.072 12.938 1.00 0.00 H new ATOM 157 N TYR A 14 -1.841 -2.161 10.329 1.00 0.00 N ATOM 158 CA TYR A 14 -0.707 -1.812 9.482 1.00 0.00 C ATOM 159 C TYR A 14 0.083 -0.651 10.080 1.00 0.00 C ATOM 160 O TYR A 14 -0.493 0.336 10.537 1.00 0.00 O ATOM 161 CB TYR A 14 -1.187 -1.445 8.076 1.00 0.00 C ATOM 162 CG TYR A 14 -2.174 -0.301 8.053 1.00 0.00 C ATOM 163 CD1 TYR A 14 -1.764 1.002 8.309 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.518 -0.522 7.777 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.662 2.051 8.289 1.00 0.00 C ATOM 166 CE2 TYR A 14 -4.423 0.521 7.754 1.00 0.00 C ATOM 167 CZ TYR A 14 -3.991 1.806 8.011 1.00 0.00 C ATOM 168 OH TYR A 14 -4.890 2.847 7.990 1.00 0.00 O ATOM 0 H TYR A 14 -2.148 -1.414 10.952 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.052 -2.681 9.420 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.324 -1.182 7.464 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.648 -2.320 7.618 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.725 1.198 8.527 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.861 -1.527 7.577 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.326 3.058 8.490 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.464 0.332 7.536 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.452 3.650 7.639 1.00 0.00 H new ATOM 178 N SER A 15 1.406 -0.779 10.072 1.00 0.00 N ATOM 179 CA SER A 15 2.277 0.257 10.616 1.00 0.00 C ATOM 180 C SER A 15 3.521 0.431 9.750 1.00 0.00 C ATOM 181 O SER A 15 3.973 -0.494 9.075 1.00 0.00 O ATOM 182 CB SER A 15 2.684 -0.090 12.050 1.00 0.00 C ATOM 183 OG SER A 15 3.302 -1.364 12.110 1.00 0.00 O ATOM 0 H SER A 15 1.898 -1.589 9.695 1.00 0.00 H new ATOM 0 HA SER A 15 1.724 1.196 10.620 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.368 0.668 12.431 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.805 -0.078 12.694 1.00 0.00 H new ATOM 0 HG SER A 15 3.554 -1.562 13.036 1.00 0.00 H new ATOM 189 N PRO A 16 4.089 1.646 9.770 1.00 0.00 N ATOM 190 CA PRO A 16 3.559 2.755 10.569 1.00 0.00 C ATOM 191 C PRO A 16 2.232 3.276 10.030 1.00 0.00 C ATOM 192 O PRO A 16 1.834 2.950 8.911 1.00 0.00 O ATOM 193 CB PRO A 16 4.644 3.828 10.449 1.00 0.00 C ATOM 194 CG PRO A 16 5.335 3.526 9.164 1.00 0.00 C ATOM 195 CD PRO A 16 5.291 2.031 9.012 1.00 0.00 C ATOM 0 HA PRO A 16 3.349 2.454 11.595 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.212 4.829 10.440 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.336 3.787 11.290 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.837 4.018 8.328 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.363 3.887 9.180 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.218 1.736 7.965 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.188 1.560 9.414 1.00 0.00 H new ATOM 203 N SER A 17 1.550 4.088 10.832 1.00 0.00 N ATOM 204 CA SER A 17 0.265 4.652 10.436 1.00 0.00 C ATOM 205 C SER A 17 0.448 5.715 9.356 1.00 0.00 C ATOM 206 O SER A 17 -0.525 6.228 8.804 1.00 0.00 O ATOM 207 CB SER A 17 -0.445 5.257 11.648 1.00 0.00 C ATOM 208 OG SER A 17 0.355 6.251 12.265 1.00 0.00 O ATOM 0 H SER A 17 1.866 4.370 11.760 1.00 0.00 H new ATOM 0 HA SER A 17 -0.348 3.847 10.029 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.395 5.692 11.337 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.674 4.472 12.368 1.00 0.00 H new ATOM 0 HG SER A 17 -0.122 6.623 13.036 1.00 0.00 H new ATOM 214 N ALA A 18 1.702 6.040 9.061 1.00 0.00 N ATOM 215 CA ALA A 18 2.014 7.040 8.047 1.00 0.00 C ATOM 216 C ALA A 18 3.492 7.002 7.675 1.00 0.00 C ATOM 217 O ALA A 18 4.341 6.660 8.500 1.00 0.00 O ATOM 218 CB ALA A 18 1.626 8.427 8.536 1.00 0.00 C ATOM 0 H ALA A 18 2.519 5.625 9.510 1.00 0.00 H new ATOM 0 HA ALA A 18 1.435 6.807 7.153 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.865 9.163 7.769 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.556 8.453 8.744 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.178 8.660 9.446 1.00 0.00 H new ATOM 224 N CYS A 19 3.794 7.354 6.430 1.00 0.00 N ATOM 225 CA CYS A 19 5.170 7.359 5.949 1.00 0.00 C ATOM 226 C CYS A 19 5.428 8.565 5.051 1.00 0.00 C ATOM 227 O CYS A 19 4.550 9.405 4.856 1.00 0.00 O ATOM 228 CB CYS A 19 5.471 6.067 5.187 1.00 0.00 C ATOM 229 SG CYS A 19 6.118 4.733 6.223 1.00 0.00 S ATOM 0 H CYS A 19 3.104 7.640 5.736 1.00 0.00 H new ATOM 0 HA CYS A 19 5.831 7.425 6.814 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.558 5.724 4.700 1.00 0.00 H new ATOM 0 HB3 CYS A 19 6.192 6.282 4.398 1.00 0.00 H new ATOM 0 HG CYS A 19 7.406 4.861 6.340 1.00 0.00 H new ATOM 235 N SER A 20 6.639 8.644 4.508 1.00 0.00 N ATOM 236 CA SER A 20 7.015 9.750 3.635 1.00 0.00 C ATOM 237 C SER A 20 6.550 9.494 2.205 1.00 0.00 C ATOM 238 O SER A 20 6.200 8.370 1.844 1.00 0.00 O ATOM 239 CB SER A 20 8.530 9.956 3.662 1.00 0.00 C ATOM 240 OG SER A 20 8.940 10.567 4.874 1.00 0.00 O ATOM 0 H SER A 20 7.376 7.955 4.657 1.00 0.00 H new ATOM 0 HA SER A 20 6.527 10.653 4.001 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.033 8.996 3.547 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.831 10.577 2.818 1.00 0.00 H new ATOM 0 HG SER A 20 9.913 10.686 4.867 1.00 0.00 H new ATOM 246 N VAL A 21 6.550 10.547 1.392 1.00 0.00 N ATOM 247 CA VAL A 21 6.130 10.438 0.000 1.00 0.00 C ATOM 248 C VAL A 21 7.201 9.758 -0.845 1.00 0.00 C ATOM 249 O VAL A 21 6.952 9.373 -1.988 1.00 0.00 O ATOM 250 CB VAL A 21 5.818 11.821 -0.601 1.00 0.00 C ATOM 251 CG1 VAL A 21 4.465 12.321 -0.119 1.00 0.00 C ATOM 252 CG2 VAL A 21 6.918 12.814 -0.253 1.00 0.00 C ATOM 0 H VAL A 21 6.836 11.485 1.674 1.00 0.00 H new ATOM 0 HA VAL A 21 5.224 9.832 -0.012 1.00 0.00 H new ATOM 0 HB VAL A 21 5.777 11.725 -1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.262 13.299 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.688 11.620 -0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.473 12.402 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.681 13.786 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.994 12.908 0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.868 12.460 -0.654 1.00 0.00 H new ATOM 262 N ARG A 22 8.393 9.612 -0.276 1.00 0.00 N ATOM 263 CA ARG A 22 9.503 8.979 -0.978 1.00 0.00 C ATOM 264 C ARG A 22 9.491 7.468 -0.761 1.00 0.00 C ATOM 265 O ARG A 22 10.265 6.737 -1.377 1.00 0.00 O ATOM 266 CB ARG A 22 10.834 9.563 -0.503 1.00 0.00 C ATOM 267 CG ARG A 22 11.287 9.030 0.847 1.00 0.00 C ATOM 268 CD ARG A 22 12.625 9.623 1.260 1.00 0.00 C ATOM 269 NE ARG A 22 13.081 9.101 2.545 1.00 0.00 N ATOM 270 CZ ARG A 22 14.342 9.163 2.957 1.00 0.00 C ATOM 271 NH1 ARG A 22 15.268 9.720 2.189 1.00 0.00 N ATOM 272 NH2 ARG A 22 14.680 8.666 4.141 1.00 0.00 N ATOM 0 H ARG A 22 8.615 9.924 0.670 1.00 0.00 H new ATOM 0 HA ARG A 22 9.388 9.177 -2.044 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.602 9.346 -1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.745 10.648 -0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.536 9.263 1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.368 7.944 0.802 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.370 9.405 0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.538 10.708 1.320 1.00 0.00 H new ATOM 0 HE ARG A 22 12.394 8.665 3.160 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.013 10.103 1.279 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.236 9.766 2.509 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.971 8.236 4.735 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.649 8.714 4.457 1.00 0.00 H new ATOM 286 N GLY A 23 8.608 7.008 0.120 1.00 0.00 N ATOM 287 CA GLY A 23 8.514 5.588 0.403 1.00 0.00 C ATOM 288 C GLY A 23 9.865 4.961 0.682 1.00 0.00 C ATOM 289 O GLY A 23 10.577 5.383 1.592 1.00 0.00 O ATOM 0 H GLY A 23 7.956 7.593 0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.861 5.435 1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.050 5.082 -0.444 1.00 0.00 H new ATOM 293 N GLY A 24 10.219 3.948 -0.103 1.00 0.00 N ATOM 294 CA GLY A 24 11.493 3.277 0.081 1.00 0.00 C ATOM 295 C GLY A 24 11.709 2.826 1.512 1.00 0.00 C ATOM 296 O GLY A 24 12.839 2.567 1.924 1.00 0.00 O ATOM 0 H GLY A 24 9.647 3.580 -0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.544 2.412 -0.581 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.300 3.949 -0.211 1.00 0.00 H new ATOM 300 N GLU A 25 10.622 2.733 2.272 1.00 0.00 N ATOM 301 CA GLU A 25 10.700 2.313 3.667 1.00 0.00 C ATOM 302 C GLU A 25 10.147 0.901 3.841 1.00 0.00 C ATOM 303 O GLU A 25 9.482 0.371 2.952 1.00 0.00 O ATOM 304 CB GLU A 25 9.930 3.288 4.560 1.00 0.00 C ATOM 305 CG GLU A 25 10.710 4.546 4.902 1.00 0.00 C ATOM 306 CD GLU A 25 10.089 5.325 6.045 1.00 0.00 C ATOM 307 OE1 GLU A 25 10.434 5.045 7.212 1.00 0.00 O ATOM 308 OE2 GLU A 25 9.256 6.215 5.772 1.00 0.00 O ATOM 0 H GLU A 25 9.678 2.942 1.946 1.00 0.00 H new ATOM 0 HA GLU A 25 11.749 2.313 3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.003 3.570 4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.653 2.780 5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.732 4.275 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.767 5.185 4.021 1.00 0.00 H new ATOM 315 N GLU A 26 10.428 0.300 4.993 1.00 0.00 N ATOM 316 CA GLU A 26 9.960 -1.050 5.283 1.00 0.00 C ATOM 317 C GLU A 26 8.574 -1.020 5.920 1.00 0.00 C ATOM 318 O GLU A 26 8.413 -0.598 7.065 1.00 0.00 O ATOM 319 CB GLU A 26 10.944 -1.766 6.210 1.00 0.00 C ATOM 320 CG GLU A 26 10.491 -3.157 6.621 1.00 0.00 C ATOM 321 CD GLU A 26 11.287 -3.709 7.788 1.00 0.00 C ATOM 322 OE1 GLU A 26 12.403 -4.218 7.556 1.00 0.00 O ATOM 323 OE2 GLU A 26 10.793 -3.633 8.932 1.00 0.00 O ATOM 0 H GLU A 26 10.977 0.726 5.740 1.00 0.00 H new ATOM 0 HA GLU A 26 9.896 -1.595 4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.911 -1.840 5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.092 -1.162 7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.435 -3.127 6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.585 -3.832 5.770 1.00 0.00 H new ATOM 330 N LEU A 27 7.575 -1.471 5.169 1.00 0.00 N ATOM 331 CA LEU A 27 6.201 -1.497 5.659 1.00 0.00 C ATOM 332 C LEU A 27 5.759 -2.924 5.967 1.00 0.00 C ATOM 333 O LEU A 27 6.029 -3.848 5.200 1.00 0.00 O ATOM 334 CB LEU A 27 5.260 -0.871 4.628 1.00 0.00 C ATOM 335 CG LEU A 27 3.764 -1.024 4.905 1.00 0.00 C ATOM 336 CD1 LEU A 27 3.359 -0.203 6.120 1.00 0.00 C ATOM 337 CD2 LEU A 27 2.951 -0.612 3.686 1.00 0.00 C ATOM 0 H LEU A 27 7.691 -1.824 4.219 1.00 0.00 H new ATOM 0 HA LEU A 27 6.159 -0.917 6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.489 0.192 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.476 -1.311 3.654 1.00 0.00 H new ATOM 0 HG LEU A 27 3.559 -2.073 5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.291 -0.324 6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.917 -0.544 6.992 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.579 0.849 5.938 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.889 -0.727 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.161 0.430 3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.220 -1.243 2.839 1.00 0.00 H new ATOM 349 N VAL A 28 5.076 -3.096 7.094 1.00 0.00 N ATOM 350 CA VAL A 28 4.593 -4.409 7.503 1.00 0.00 C ATOM 351 C VAL A 28 3.083 -4.399 7.711 1.00 0.00 C ATOM 352 O VAL A 28 2.552 -3.567 8.447 1.00 0.00 O ATOM 353 CB VAL A 28 5.276 -4.879 8.801 1.00 0.00 C ATOM 354 CG1 VAL A 28 4.824 -6.286 9.163 1.00 0.00 C ATOM 355 CG2 VAL A 28 6.789 -4.816 8.659 1.00 0.00 C ATOM 0 H VAL A 28 4.845 -2.342 7.740 1.00 0.00 H new ATOM 0 HA VAL A 28 4.841 -5.102 6.699 1.00 0.00 H new ATOM 0 HB VAL A 28 4.982 -4.210 9.609 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.317 -6.601 10.083 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.744 -6.295 9.309 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.087 -6.971 8.357 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.256 -5.151 9.585 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.105 -5.461 7.839 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.092 -3.790 8.451 1.00 0.00 H new ATOM 365 N LEU A 29 2.395 -5.330 7.058 1.00 0.00 N ATOM 366 CA LEU A 29 0.944 -5.429 7.171 1.00 0.00 C ATOM 367 C LEU A 29 0.545 -6.642 8.006 1.00 0.00 C ATOM 368 O LEU A 29 0.716 -7.786 7.582 1.00 0.00 O ATOM 369 CB LEU A 29 0.309 -5.521 5.782 1.00 0.00 C ATOM 370 CG LEU A 29 0.341 -4.242 4.944 1.00 0.00 C ATOM 371 CD1 LEU A 29 0.235 -4.572 3.463 1.00 0.00 C ATOM 372 CD2 LEU A 29 -0.778 -3.301 5.365 1.00 0.00 C ATOM 0 H LEU A 29 2.819 -6.027 6.445 1.00 0.00 H new ATOM 0 HA LEU A 29 0.581 -4.531 7.671 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.815 -6.310 5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.730 -5.829 5.899 1.00 0.00 H new ATOM 0 HG LEU A 29 1.294 -3.741 5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.259 -3.650 2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.071 -5.207 3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.702 -5.096 3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.740 -2.396 4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.740 -3.793 5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.657 -3.039 6.416 1.00 0.00 H new ATOM 384 N THR A 30 0.010 -6.385 9.196 1.00 0.00 N ATOM 385 CA THR A 30 -0.414 -7.455 10.090 1.00 0.00 C ATOM 386 C THR A 30 -1.796 -7.973 9.710 1.00 0.00 C ATOM 387 O THR A 30 -2.745 -7.201 9.577 1.00 0.00 O ATOM 388 CB THR A 30 -0.440 -6.984 11.556 1.00 0.00 C ATOM 389 OG1 THR A 30 0.600 -6.026 11.782 1.00 0.00 O ATOM 390 CG2 THR A 30 -0.268 -8.161 12.505 1.00 0.00 C ATOM 0 H THR A 30 -0.140 -5.445 9.562 1.00 0.00 H new ATOM 0 HA THR A 30 0.314 -8.260 9.987 1.00 0.00 H new ATOM 0 HB THR A 30 -1.407 -6.520 11.749 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.575 -5.730 12.716 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.290 -7.804 13.535 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.078 -8.874 12.351 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.687 -8.649 12.310 1.00 0.00 H new ATOM 398 N GLY A 31 -1.904 -9.287 9.536 1.00 0.00 N ATOM 399 CA GLY A 31 -3.175 -9.886 9.174 1.00 0.00 C ATOM 400 C GLY A 31 -3.107 -11.399 9.115 1.00 0.00 C ATOM 401 O GLY A 31 -2.281 -12.017 9.786 1.00 0.00 O ATOM 0 H GLY A 31 -1.133 -9.947 9.639 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.933 -9.587 9.898 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.491 -9.502 8.204 1.00 0.00 H new ATOM 405 N SER A 32 -3.979 -11.998 8.310 1.00 0.00 N ATOM 406 CA SER A 32 -4.019 -13.449 8.170 1.00 0.00 C ATOM 407 C SER A 32 -4.543 -13.848 6.794 1.00 0.00 C ATOM 408 O SER A 32 -5.013 -13.007 6.029 1.00 0.00 O ATOM 409 CB SER A 32 -4.897 -14.064 9.261 1.00 0.00 C ATOM 410 OG SER A 32 -4.560 -15.423 9.481 1.00 0.00 O ATOM 0 H SER A 32 -4.667 -11.501 7.745 1.00 0.00 H new ATOM 0 HA SER A 32 -3.002 -13.827 8.276 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.778 -13.502 10.187 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.946 -13.988 8.974 1.00 0.00 H new ATOM 0 HG SER A 32 -5.134 -15.793 10.184 1.00 0.00 H new ATOM 416 N ASN A 33 -4.459 -15.138 6.487 1.00 0.00 N ATOM 417 CA ASN A 33 -4.924 -15.650 5.203 1.00 0.00 C ATOM 418 C ASN A 33 -4.253 -14.914 4.048 1.00 0.00 C ATOM 419 O ASN A 33 -4.915 -14.487 3.102 1.00 0.00 O ATOM 420 CB ASN A 33 -6.444 -15.512 5.096 1.00 0.00 C ATOM 421 CG ASN A 33 -7.177 -16.677 5.733 1.00 0.00 C ATOM 422 OD1 ASN A 33 -6.822 -17.127 6.823 1.00 0.00 O ATOM 423 ND2 ASN A 33 -8.206 -17.171 5.055 1.00 0.00 N ATOM 0 H ASN A 33 -4.073 -15.848 7.110 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.656 -16.705 5.142 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.756 -14.584 5.575 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.726 -15.439 4.046 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.738 -17.955 5.434 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.465 -16.767 4.155 1.00 0.00 H new ATOM 430 N PHE A 34 -2.934 -14.770 4.132 1.00 0.00 N ATOM 431 CA PHE A 34 -2.173 -14.086 3.094 1.00 0.00 C ATOM 432 C PHE A 34 -1.553 -15.087 2.124 1.00 0.00 C ATOM 433 O PHE A 34 -1.017 -16.117 2.535 1.00 0.00 O ATOM 434 CB PHE A 34 -1.077 -13.222 3.722 1.00 0.00 C ATOM 435 CG PHE A 34 -1.595 -11.961 4.353 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.477 -11.140 3.669 1.00 0.00 C ATOM 437 CD2 PHE A 34 -1.200 -11.596 5.630 1.00 0.00 C ATOM 438 CE1 PHE A 34 -2.956 -9.980 4.246 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.675 -10.437 6.212 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.554 -9.627 5.520 1.00 0.00 C ATOM 0 H PHE A 34 -2.371 -15.118 4.908 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.858 -13.446 2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.552 -13.807 4.477 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.347 -12.962 2.956 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.794 -11.410 2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.513 -12.225 6.176 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.644 -9.350 3.702 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.359 -10.164 7.208 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.926 -8.720 5.973 1.00 0.00 H new ATOM 450 N LEU A 35 -1.631 -14.778 0.834 1.00 0.00 N ATOM 451 CA LEU A 35 -1.078 -15.650 -0.196 1.00 0.00 C ATOM 452 C LEU A 35 0.399 -15.350 -0.430 1.00 0.00 C ATOM 453 O LEU A 35 0.871 -14.232 -0.222 1.00 0.00 O ATOM 454 CB LEU A 35 -1.856 -15.485 -1.503 1.00 0.00 C ATOM 455 CG LEU A 35 -3.229 -16.156 -1.556 1.00 0.00 C ATOM 456 CD1 LEU A 35 -4.143 -15.428 -2.529 1.00 0.00 C ATOM 457 CD2 LEU A 35 -3.092 -17.621 -1.945 1.00 0.00 C ATOM 0 H LEU A 35 -2.072 -13.930 0.477 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.170 -16.680 0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.987 -14.420 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.248 -15.881 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.675 -16.104 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.115 -15.920 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.268 -14.394 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.702 -15.447 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.079 -18.083 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.624 -17.695 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.475 -18.137 -1.209 1.00 0.00 H new ATOM 469 N PRO A 36 1.148 -16.371 -0.874 1.00 0.00 N ATOM 470 CA PRO A 36 2.582 -16.240 -1.148 1.00 0.00 C ATOM 471 C PRO A 36 2.861 -15.374 -2.371 1.00 0.00 C ATOM 472 O PRO A 36 3.994 -14.946 -2.595 1.00 0.00 O ATOM 473 CB PRO A 36 3.028 -17.682 -1.400 1.00 0.00 C ATOM 474 CG PRO A 36 1.798 -18.383 -1.865 1.00 0.00 C ATOM 475 CD PRO A 36 0.651 -17.731 -1.143 1.00 0.00 C ATOM 0 HA PRO A 36 3.111 -15.753 -0.329 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.817 -17.727 -2.151 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.425 -18.138 -0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.682 -18.292 -2.945 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.847 -19.448 -1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.252 -17.716 -1.754 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.404 -18.258 -0.222 1.00 0.00 H new ATOM 483 N ASP A 37 1.823 -15.120 -3.160 1.00 0.00 N ATOM 484 CA ASP A 37 1.957 -14.303 -4.361 1.00 0.00 C ATOM 485 C ASP A 37 1.098 -13.047 -4.262 1.00 0.00 C ATOM 486 O ASP A 37 0.933 -12.317 -5.240 1.00 0.00 O ATOM 487 CB ASP A 37 1.563 -15.110 -5.599 1.00 0.00 C ATOM 488 CG ASP A 37 0.423 -16.072 -5.325 1.00 0.00 C ATOM 489 OD1 ASP A 37 -0.739 -15.617 -5.276 1.00 0.00 O ATOM 490 OD2 ASP A 37 0.694 -17.280 -5.160 1.00 0.00 O ATOM 0 H ASP A 37 0.879 -15.468 -2.990 1.00 0.00 H new ATOM 0 HA ASP A 37 3.000 -14.001 -4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.274 -14.427 -6.398 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.428 -15.669 -5.955 1.00 0.00 H new ATOM 495 N SER A 38 0.551 -12.801 -3.076 1.00 0.00 N ATOM 496 CA SER A 38 -0.296 -11.636 -2.851 1.00 0.00 C ATOM 497 C SER A 38 0.282 -10.403 -3.540 1.00 0.00 C ATOM 498 O SER A 38 1.486 -10.320 -3.783 1.00 0.00 O ATOM 499 CB SER A 38 -0.447 -11.371 -1.352 1.00 0.00 C ATOM 500 OG SER A 38 -1.378 -12.266 -0.768 1.00 0.00 O ATOM 0 H SER A 38 0.679 -13.393 -2.256 1.00 0.00 H new ATOM 0 HA SER A 38 -1.277 -11.843 -3.277 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.521 -11.476 -0.861 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.775 -10.344 -1.192 1.00 0.00 H new ATOM 0 HG SER A 38 -2.183 -12.310 -1.325 1.00 0.00 H new ATOM 506 N LYS A 39 -0.586 -9.448 -3.854 1.00 0.00 N ATOM 507 CA LYS A 39 -0.166 -8.218 -4.515 1.00 0.00 C ATOM 508 C LYS A 39 -0.676 -6.994 -3.761 1.00 0.00 C ATOM 509 O LYS A 39 -1.783 -7.000 -3.223 1.00 0.00 O ATOM 510 CB LYS A 39 -0.674 -8.190 -5.958 1.00 0.00 C ATOM 511 CG LYS A 39 0.289 -8.814 -6.954 1.00 0.00 C ATOM 512 CD LYS A 39 -0.341 -8.945 -8.331 1.00 0.00 C ATOM 513 CE LYS A 39 0.705 -8.869 -9.432 1.00 0.00 C ATOM 514 NZ LYS A 39 0.310 -9.662 -10.629 1.00 0.00 N ATOM 0 H LYS A 39 -1.586 -9.502 -3.661 1.00 0.00 H new ATOM 0 HA LYS A 39 0.924 -8.192 -4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.627 -8.716 -6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.864 -7.156 -6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.190 -8.204 -7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.596 -9.798 -6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.875 -9.893 -8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.077 -8.154 -8.472 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.855 -7.828 -9.719 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.659 -9.235 -9.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.049 -9.584 -11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.192 -10.660 -10.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.587 -9.296 -11.007 1.00 0.00 H new ATOM 528 N VAL A 40 0.138 -5.943 -3.728 1.00 0.00 N ATOM 529 CA VAL A 40 -0.232 -4.711 -3.043 1.00 0.00 C ATOM 530 C VAL A 40 -0.096 -3.506 -3.968 1.00 0.00 C ATOM 531 O VAL A 40 1.012 -3.077 -4.287 1.00 0.00 O ATOM 532 CB VAL A 40 0.635 -4.483 -1.790 1.00 0.00 C ATOM 533 CG1 VAL A 40 0.298 -3.148 -1.144 1.00 0.00 C ATOM 534 CG2 VAL A 40 0.452 -5.624 -0.802 1.00 0.00 C ATOM 0 H VAL A 40 1.058 -5.921 -4.168 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.274 -4.818 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 40 1.682 -4.459 -2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.920 -3.004 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.485 -2.343 -1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.753 -3.139 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.072 -5.447 0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.595 -5.682 -0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.748 -6.562 -1.271 1.00 0.00 H new ATOM 544 N VAL A 41 -1.232 -2.964 -4.395 1.00 0.00 N ATOM 545 CA VAL A 41 -1.241 -1.806 -5.282 1.00 0.00 C ATOM 546 C VAL A 41 -1.807 -0.578 -4.578 1.00 0.00 C ATOM 547 O VAL A 41 -2.610 -0.696 -3.651 1.00 0.00 O ATOM 548 CB VAL A 41 -2.065 -2.081 -6.554 1.00 0.00 C ATOM 549 CG1 VAL A 41 -1.713 -3.442 -7.135 1.00 0.00 C ATOM 550 CG2 VAL A 41 -3.553 -1.988 -6.254 1.00 0.00 C ATOM 0 H VAL A 41 -2.158 -3.308 -4.141 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.205 -1.614 -5.563 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.819 -1.322 -7.297 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.305 -3.618 -8.033 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.653 -3.466 -7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.928 -4.218 -6.400 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.121 -2.185 -7.164 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.818 -2.724 -5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.789 -0.988 -5.889 1.00 0.00 H new ATOM 560 N PHE A 42 -1.384 0.600 -5.023 1.00 0.00 N ATOM 561 CA PHE A 42 -1.849 1.851 -4.436 1.00 0.00 C ATOM 562 C PHE A 42 -2.687 2.643 -5.435 1.00 0.00 C ATOM 563 O PHE A 42 -2.383 2.675 -6.628 1.00 0.00 O ATOM 564 CB PHE A 42 -0.659 2.693 -3.970 1.00 0.00 C ATOM 565 CG PHE A 42 -0.055 2.215 -2.680 1.00 0.00 C ATOM 566 CD1 PHE A 42 0.751 1.089 -2.653 1.00 0.00 C ATOM 567 CD2 PHE A 42 -0.294 2.893 -1.496 1.00 0.00 C ATOM 568 CE1 PHE A 42 1.308 0.647 -1.468 1.00 0.00 C ATOM 569 CE2 PHE A 42 0.260 2.456 -0.307 1.00 0.00 C ATOM 570 CZ PHE A 42 1.063 1.332 -0.294 1.00 0.00 C ATOM 0 H PHE A 42 -0.720 0.715 -5.788 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.474 1.610 -3.576 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.107 2.685 -4.745 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.981 3.727 -3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.946 0.550 -3.568 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.920 3.773 -1.502 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.934 -0.233 -1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.065 2.992 0.610 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.499 0.989 0.633 1.00 0.00 H new ATOM 580 N ILE A 43 -3.742 3.281 -4.940 1.00 0.00 N ATOM 581 CA ILE A 43 -4.623 4.073 -5.788 1.00 0.00 C ATOM 582 C ILE A 43 -4.677 5.524 -5.322 1.00 0.00 C ATOM 583 O ILE A 43 -4.405 5.822 -4.160 1.00 0.00 O ATOM 584 CB ILE A 43 -6.052 3.498 -5.808 1.00 0.00 C ATOM 585 CG1 ILE A 43 -6.688 3.608 -4.421 1.00 0.00 C ATOM 586 CG2 ILE A 43 -6.034 2.051 -6.276 1.00 0.00 C ATOM 587 CD1 ILE A 43 -8.159 3.252 -4.401 1.00 0.00 C ATOM 0 H ILE A 43 -4.007 3.265 -3.955 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.210 4.033 -6.796 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.652 4.078 -6.509 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.154 2.953 -3.732 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.564 4.626 -4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.051 1.659 -6.285 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.616 1.999 -7.281 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.422 1.457 -5.598 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.544 3.352 -3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.705 3.923 -5.064 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.289 2.224 -4.739 1.00 0.00 H new ATOM 599 N GLU A 44 -5.033 6.421 -6.236 1.00 0.00 N ATOM 600 CA GLU A 44 -5.124 7.841 -5.917 1.00 0.00 C ATOM 601 C GLU A 44 -6.344 8.471 -6.584 1.00 0.00 C ATOM 602 O GLU A 44 -6.660 8.170 -7.735 1.00 0.00 O ATOM 603 CB GLU A 44 -3.853 8.569 -6.361 1.00 0.00 C ATOM 604 CG GLU A 44 -3.949 10.081 -6.252 1.00 0.00 C ATOM 605 CD GLU A 44 -3.028 10.795 -7.223 1.00 0.00 C ATOM 606 OE1 GLU A 44 -2.751 10.230 -8.301 1.00 0.00 O ATOM 607 OE2 GLU A 44 -2.585 11.918 -6.904 1.00 0.00 O ATOM 0 H GLU A 44 -5.263 6.190 -7.202 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.231 7.939 -4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.015 8.222 -5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.633 8.301 -7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.977 10.390 -6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.704 10.385 -5.234 1.00 0.00 H new ATOM 614 N ARG A 45 -7.025 9.346 -5.851 1.00 0.00 N ATOM 615 CA ARG A 45 -8.210 10.018 -6.370 1.00 0.00 C ATOM 616 C ARG A 45 -7.851 11.381 -6.954 1.00 0.00 C ATOM 617 O ARG A 45 -7.075 12.134 -6.367 1.00 0.00 O ATOM 618 CB ARG A 45 -9.253 10.184 -5.264 1.00 0.00 C ATOM 619 CG ARG A 45 -10.073 8.930 -5.007 1.00 0.00 C ATOM 620 CD ARG A 45 -10.733 8.967 -3.637 1.00 0.00 C ATOM 621 NE ARG A 45 -11.972 8.194 -3.605 1.00 0.00 N ATOM 622 CZ ARG A 45 -13.050 8.503 -4.318 1.00 0.00 C ATOM 623 NH1 ARG A 45 -13.041 9.563 -5.113 1.00 0.00 N ATOM 624 NH2 ARG A 45 -14.139 7.750 -4.235 1.00 0.00 N ATOM 0 H ARG A 45 -6.776 9.606 -4.896 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.628 9.400 -7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.749 10.474 -4.342 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.926 11.000 -5.530 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.837 8.829 -5.778 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.430 8.053 -5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.042 8.575 -2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.944 10.001 -3.364 1.00 0.00 H new ATOM 0 HE ARG A 45 -12.012 7.372 -3.002 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.205 10.144 -5.179 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.870 9.798 -5.659 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.149 6.934 -3.624 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.966 7.988 -4.782 1.00 0.00 H new ATOM 638 N GLY A 46 -8.422 11.691 -8.114 1.00 0.00 N ATOM 639 CA GLY A 46 -8.149 12.963 -8.758 1.00 0.00 C ATOM 640 C GLY A 46 -9.340 13.900 -8.720 1.00 0.00 C ATOM 641 O GLY A 46 -10.402 13.566 -8.194 1.00 0.00 O ATOM 0 H GLY A 46 -9.068 11.085 -8.619 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.300 13.440 -8.268 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.862 12.788 -9.795 1.00 0.00 H new ATOM 645 N PRO A 47 -9.170 15.103 -9.287 1.00 0.00 N ATOM 646 CA PRO A 47 -10.229 16.116 -9.327 1.00 0.00 C ATOM 647 C PRO A 47 -11.368 15.727 -10.263 1.00 0.00 C ATOM 648 O PRO A 47 -12.539 15.960 -9.962 1.00 0.00 O ATOM 649 CB PRO A 47 -9.509 17.362 -9.849 1.00 0.00 C ATOM 650 CG PRO A 47 -8.353 16.833 -10.627 1.00 0.00 C ATOM 651 CD PRO A 47 -7.931 15.568 -9.932 1.00 0.00 C ATOM 0 HA PRO A 47 -10.697 16.255 -8.353 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.166 17.965 -10.476 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.176 18.000 -9.030 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.636 16.635 -11.661 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.537 17.555 -10.653 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.544 14.832 -10.637 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.143 15.754 -9.202 1.00 0.00 H new ATOM 659 N ASP A 48 -11.017 15.135 -11.399 1.00 0.00 N ATOM 660 CA ASP A 48 -12.010 14.712 -12.380 1.00 0.00 C ATOM 661 C ASP A 48 -13.140 13.936 -11.709 1.00 0.00 C ATOM 662 O ASP A 48 -14.293 14.011 -12.130 1.00 0.00 O ATOM 663 CB ASP A 48 -11.356 13.852 -13.462 1.00 0.00 C ATOM 664 CG ASP A 48 -10.484 14.664 -14.399 1.00 0.00 C ATOM 665 OD1 ASP A 48 -10.975 15.679 -14.935 1.00 0.00 O ATOM 666 OD2 ASP A 48 -9.311 14.284 -14.597 1.00 0.00 O ATOM 0 H ASP A 48 -10.052 14.937 -11.664 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.431 15.605 -12.843 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.753 13.076 -12.990 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.131 13.347 -14.038 1.00 0.00 H new ATOM 671 N GLY A 49 -12.798 13.189 -10.664 1.00 0.00 N ATOM 672 CA GLY A 49 -13.794 12.409 -9.953 1.00 0.00 C ATOM 673 C GLY A 49 -13.448 10.934 -9.902 1.00 0.00 C ATOM 674 O GLY A 49 -13.931 10.204 -9.036 1.00 0.00 O ATOM 0 H GLY A 49 -11.850 13.110 -10.297 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.893 12.791 -8.937 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.763 12.535 -10.436 1.00 0.00 H new ATOM 678 N LYS A 50 -12.608 10.493 -10.832 1.00 0.00 N ATOM 679 CA LYS A 50 -12.197 9.095 -10.892 1.00 0.00 C ATOM 680 C LYS A 50 -10.741 8.938 -10.463 1.00 0.00 C ATOM 681 O LYS A 50 -9.925 9.839 -10.660 1.00 0.00 O ATOM 682 CB LYS A 50 -12.385 8.546 -12.308 1.00 0.00 C ATOM 683 CG LYS A 50 -13.780 8.767 -12.865 1.00 0.00 C ATOM 684 CD LYS A 50 -14.103 7.775 -13.970 1.00 0.00 C ATOM 685 CE LYS A 50 -15.603 7.580 -14.124 1.00 0.00 C ATOM 686 NZ LYS A 50 -16.161 6.705 -13.056 1.00 0.00 N ATOM 0 H LYS A 50 -12.198 11.084 -11.555 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.824 8.528 -10.204 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.659 9.017 -12.971 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.168 7.478 -12.306 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.512 8.671 -12.063 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.862 9.783 -13.252 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.683 8.128 -14.912 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.631 6.817 -13.750 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -16.100 8.550 -14.096 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.814 7.142 -15.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -17.155 6.486 -13.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.614 5.822 -13.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.104 7.195 -12.141 1.00 0.00 H new ATOM 700 N LEU A 51 -10.423 7.788 -9.878 1.00 0.00 N ATOM 701 CA LEU A 51 -9.064 7.512 -9.424 1.00 0.00 C ATOM 702 C LEU A 51 -8.295 6.706 -10.465 1.00 0.00 C ATOM 703 O LEU A 51 -8.828 5.767 -11.054 1.00 0.00 O ATOM 704 CB LEU A 51 -9.094 6.754 -8.095 1.00 0.00 C ATOM 705 CG LEU A 51 -10.163 5.668 -7.966 1.00 0.00 C ATOM 706 CD1 LEU A 51 -9.962 4.594 -9.024 1.00 0.00 C ATOM 707 CD2 LEU A 51 -10.138 5.058 -6.572 1.00 0.00 C ATOM 0 H LEU A 51 -11.087 7.033 -9.707 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.554 8.465 -9.281 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.118 6.295 -7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.239 7.476 -7.291 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.140 6.125 -8.123 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.732 3.829 -8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.031 5.042 -10.015 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.979 4.139 -8.899 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.905 4.287 -6.498 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.160 4.615 -6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.331 5.834 -5.832 1.00 0.00 H new ATOM 719 N GLN A 52 -7.037 7.078 -10.683 1.00 0.00 N ATOM 720 CA GLN A 52 -6.194 6.388 -11.652 1.00 0.00 C ATOM 721 C GLN A 52 -4.724 6.475 -11.254 1.00 0.00 C ATOM 722 O GLN A 52 -4.094 7.523 -11.397 1.00 0.00 O ATOM 723 CB GLN A 52 -6.393 6.982 -13.047 1.00 0.00 C ATOM 724 CG GLN A 52 -6.604 8.488 -13.043 1.00 0.00 C ATOM 725 CD GLN A 52 -6.947 9.033 -14.416 1.00 0.00 C ATOM 726 OE1 GLN A 52 -7.914 8.601 -15.044 1.00 0.00 O ATOM 727 NE2 GLN A 52 -6.155 9.987 -14.889 1.00 0.00 N ATOM 0 H GLN A 52 -6.580 7.853 -10.202 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.486 5.338 -11.667 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.523 6.747 -13.660 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.253 6.504 -13.517 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.405 8.737 -12.347 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.701 8.977 -12.678 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.364 10.315 -14.334 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.337 10.392 -15.807 1.00 0.00 H new ATOM 736 N TRP A 53 -4.186 5.369 -10.755 1.00 0.00 N ATOM 737 CA TRP A 53 -2.789 5.321 -10.336 1.00 0.00 C ATOM 738 C TRP A 53 -2.232 3.908 -10.461 1.00 0.00 C ATOM 739 O TRP A 53 -2.689 2.989 -9.782 1.00 0.00 O ATOM 740 CB TRP A 53 -2.651 5.812 -8.894 1.00 0.00 C ATOM 741 CG TRP A 53 -1.247 6.186 -8.526 1.00 0.00 C ATOM 742 CD1 TRP A 53 -0.255 6.584 -9.376 1.00 0.00 C ATOM 743 CD2 TRP A 53 -0.679 6.195 -7.211 1.00 0.00 C ATOM 744 NE1 TRP A 53 0.895 6.840 -8.669 1.00 0.00 N ATOM 745 CE2 TRP A 53 0.661 6.610 -7.339 1.00 0.00 C ATOM 746 CE3 TRP A 53 -1.173 5.896 -5.939 1.00 0.00 C ATOM 747 CZ2 TRP A 53 1.511 6.730 -6.243 1.00 0.00 C ATOM 748 CZ3 TRP A 53 -0.328 6.015 -4.852 1.00 0.00 C ATOM 749 CH2 TRP A 53 1.001 6.430 -5.009 1.00 0.00 C ATOM 0 H TRP A 53 -4.694 4.494 -10.630 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.216 5.976 -10.992 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.300 6.676 -8.748 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -3.001 5.033 -8.217 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.359 6.683 -10.446 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.780 7.151 -9.070 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.197 5.578 -5.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.536 7.048 -6.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.699 5.784 -3.864 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.635 6.515 -4.139 1.00 0.00 H new ATOM 760 N GLU A 54 -1.242 3.741 -11.332 1.00 0.00 N ATOM 761 CA GLU A 54 -0.623 2.438 -11.544 1.00 0.00 C ATOM 762 C GLU A 54 0.778 2.396 -10.940 1.00 0.00 C ATOM 763 O GLU A 54 1.737 2.883 -11.537 1.00 0.00 O ATOM 764 CB GLU A 54 -0.556 2.119 -13.039 1.00 0.00 C ATOM 765 CG GLU A 54 -0.311 0.649 -13.337 1.00 0.00 C ATOM 766 CD GLU A 54 -0.105 0.379 -14.815 1.00 0.00 C ATOM 767 OE1 GLU A 54 0.678 1.118 -15.449 1.00 0.00 O ATOM 768 OE2 GLU A 54 -0.727 -0.569 -15.338 1.00 0.00 O ATOM 0 H GLU A 54 -0.852 4.491 -11.902 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.236 1.687 -11.046 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.490 2.426 -13.510 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.239 2.711 -13.493 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.566 0.311 -12.784 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.158 0.064 -12.979 1.00 0.00 H new ATOM 775 N GLU A 55 0.886 1.809 -9.752 1.00 0.00 N ATOM 776 CA GLU A 55 2.169 1.704 -9.067 1.00 0.00 C ATOM 777 C GLU A 55 2.300 0.358 -8.360 1.00 0.00 C ATOM 778 O GLU A 55 1.509 0.032 -7.475 1.00 0.00 O ATOM 779 CB GLU A 55 2.326 2.842 -8.055 1.00 0.00 C ATOM 780 CG GLU A 55 2.950 4.097 -8.642 1.00 0.00 C ATOM 781 CD GLU A 55 4.452 3.977 -8.812 1.00 0.00 C ATOM 782 OE1 GLU A 55 5.143 3.706 -7.808 1.00 0.00 O ATOM 783 OE2 GLU A 55 4.936 4.155 -9.949 1.00 0.00 O ATOM 0 H GLU A 55 0.102 1.399 -9.245 1.00 0.00 H new ATOM 0 HA GLU A 55 2.959 1.780 -9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.347 3.091 -7.646 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.940 2.496 -7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.494 4.306 -9.610 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.728 4.946 -7.995 1.00 0.00 H new ATOM 790 N GLU A 56 3.303 -0.418 -8.758 1.00 0.00 N ATOM 791 CA GLU A 56 3.536 -1.729 -8.164 1.00 0.00 C ATOM 792 C GLU A 56 4.565 -1.641 -7.040 1.00 0.00 C ATOM 793 O GLU A 56 5.602 -0.995 -7.183 1.00 0.00 O ATOM 794 CB GLU A 56 4.011 -2.719 -9.229 1.00 0.00 C ATOM 795 CG GLU A 56 4.080 -4.155 -8.738 1.00 0.00 C ATOM 796 CD GLU A 56 4.926 -5.039 -9.634 1.00 0.00 C ATOM 797 OE1 GLU A 56 6.164 -5.038 -9.468 1.00 0.00 O ATOM 798 OE2 GLU A 56 4.351 -5.730 -10.500 1.00 0.00 O ATOM 0 H GLU A 56 3.967 -0.162 -9.489 1.00 0.00 H new ATOM 0 HA GLU A 56 2.594 -2.083 -7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.339 -2.669 -10.085 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.997 -2.416 -9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.490 -4.170 -7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.071 -4.564 -8.679 1.00 0.00 H new ATOM 805 N ALA A 57 4.268 -2.296 -5.922 1.00 0.00 N ATOM 806 CA ALA A 57 5.166 -2.294 -4.774 1.00 0.00 C ATOM 807 C ALA A 57 5.883 -3.633 -4.635 1.00 0.00 C ATOM 808 O ALA A 57 5.299 -4.690 -4.879 1.00 0.00 O ATOM 809 CB ALA A 57 4.396 -1.970 -3.502 1.00 0.00 C ATOM 0 H ALA A 57 3.412 -2.835 -5.787 1.00 0.00 H new ATOM 0 HA ALA A 57 5.920 -1.523 -4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.079 -1.972 -2.653 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.936 -0.986 -3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.620 -2.720 -3.345 1.00 0.00 H new ATOM 815 N THR A 58 7.152 -3.582 -4.243 1.00 0.00 N ATOM 816 CA THR A 58 7.948 -4.790 -4.074 1.00 0.00 C ATOM 817 C THR A 58 7.602 -5.499 -2.769 1.00 0.00 C ATOM 818 O THR A 58 7.382 -4.858 -1.742 1.00 0.00 O ATOM 819 CB THR A 58 9.456 -4.476 -4.089 1.00 0.00 C ATOM 820 OG1 THR A 58 9.817 -3.865 -5.332 1.00 0.00 O ATOM 821 CG2 THR A 58 10.275 -5.741 -3.884 1.00 0.00 C ATOM 0 H THR A 58 7.650 -2.716 -4.037 1.00 0.00 H new ATOM 0 HA THR A 58 7.712 -5.444 -4.914 1.00 0.00 H new ATOM 0 HB THR A 58 9.669 -3.788 -3.271 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.777 -3.667 -5.333 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.336 -5.494 -3.899 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.020 -6.188 -2.923 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.057 -6.449 -4.683 1.00 0.00 H new ATOM 829 N VAL A 59 7.556 -6.827 -2.817 1.00 0.00 N ATOM 830 CA VAL A 59 7.237 -7.623 -1.638 1.00 0.00 C ATOM 831 C VAL A 59 8.406 -8.522 -1.250 1.00 0.00 C ATOM 832 O VAL A 59 8.852 -9.354 -2.040 1.00 0.00 O ATOM 833 CB VAL A 59 5.989 -8.495 -1.870 1.00 0.00 C ATOM 834 CG1 VAL A 59 5.737 -9.397 -0.671 1.00 0.00 C ATOM 835 CG2 VAL A 59 4.776 -7.622 -2.155 1.00 0.00 C ATOM 0 H VAL A 59 7.736 -7.374 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 59 7.036 -6.922 -0.828 1.00 0.00 H new ATOM 0 HB VAL A 59 6.166 -9.128 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.851 -10.006 -0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.598 -10.047 -0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.580 -8.786 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.903 -8.254 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.595 -6.963 -1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.960 -7.023 -3.047 1.00 0.00 H new ATOM 845 N ASN A 60 8.898 -8.349 -0.028 1.00 0.00 N ATOM 846 CA ASN A 60 10.016 -9.145 0.466 1.00 0.00 C ATOM 847 C ASN A 60 9.520 -10.423 1.136 1.00 0.00 C ATOM 848 O ASN A 60 9.179 -10.424 2.319 1.00 0.00 O ATOM 849 CB ASN A 60 10.853 -8.330 1.454 1.00 0.00 C ATOM 850 CG ASN A 60 12.281 -8.831 1.553 1.00 0.00 C ATOM 851 OD1 ASN A 60 12.846 -9.325 0.578 1.00 0.00 O ATOM 852 ND2 ASN A 60 12.871 -8.705 2.736 1.00 0.00 N ATOM 0 H ASN A 60 8.540 -7.665 0.639 1.00 0.00 H new ATOM 0 HA ASN A 60 10.638 -9.420 -0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.858 -7.285 1.146 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.388 -8.369 2.439 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.831 -9.024 2.864 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.364 -8.289 3.517 1.00 0.00 H new ATOM 859 N ARG A 61 9.483 -11.510 0.371 1.00 0.00 N ATOM 860 CA ARG A 61 9.029 -12.794 0.890 1.00 0.00 C ATOM 861 C ARG A 61 9.947 -13.285 2.006 1.00 0.00 C ATOM 862 O ARG A 61 9.531 -14.053 2.874 1.00 0.00 O ATOM 863 CB ARG A 61 8.973 -13.831 -0.233 1.00 0.00 C ATOM 864 CG ARG A 61 7.779 -13.663 -1.158 1.00 0.00 C ATOM 865 CD ARG A 61 6.488 -14.106 -0.488 1.00 0.00 C ATOM 866 NE ARG A 61 6.358 -15.561 -0.459 1.00 0.00 N ATOM 867 CZ ARG A 61 5.602 -16.213 0.417 1.00 0.00 C ATOM 868 NH1 ARG A 61 4.912 -15.545 1.331 1.00 0.00 N ATOM 869 NH2 ARG A 61 5.534 -17.538 0.380 1.00 0.00 N ATOM 0 H ARG A 61 9.762 -11.526 -0.610 1.00 0.00 H new ATOM 0 HA ARG A 61 8.028 -12.658 1.300 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.889 -13.768 -0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.944 -14.828 0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.694 -12.619 -1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.937 -14.244 -2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.457 -13.719 0.530 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.638 -13.677 -1.019 1.00 0.00 H new ATOM 0 HE ARG A 61 6.876 -16.105 -1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.961 -14.527 1.363 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.333 -16.049 2.002 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.063 -18.056 -0.322 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.953 -18.038 1.053 1.00 0.00 H new ATOM 883 N LEU A 62 11.197 -12.838 1.976 1.00 0.00 N ATOM 884 CA LEU A 62 12.175 -13.232 2.984 1.00 0.00 C ATOM 885 C LEU A 62 11.731 -12.792 4.375 1.00 0.00 C ATOM 886 O LEU A 62 12.272 -13.247 5.382 1.00 0.00 O ATOM 887 CB LEU A 62 13.543 -12.630 2.658 1.00 0.00 C ATOM 888 CG LEU A 62 14.372 -13.373 1.611 1.00 0.00 C ATOM 889 CD1 LEU A 62 15.588 -12.552 1.211 1.00 0.00 C ATOM 890 CD2 LEU A 62 14.797 -14.737 2.136 1.00 0.00 C ATOM 0 H LEU A 62 11.558 -12.202 1.265 1.00 0.00 H new ATOM 0 HA LEU A 62 12.252 -14.319 2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.394 -11.606 2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.123 -12.576 3.580 1.00 0.00 H new ATOM 0 HG LEU A 62 13.753 -13.523 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 62 16.166 -13.097 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 62 15.262 -11.600 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 62 16.209 -12.370 2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.386 -15.252 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 62 15.397 -14.609 3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.912 -15.328 2.371 1.00 0.00 H new ATOM 902 N GLN A 63 10.742 -11.906 4.422 1.00 0.00 N ATOM 903 CA GLN A 63 10.224 -11.406 5.690 1.00 0.00 C ATOM 904 C GLN A 63 8.725 -11.662 5.804 1.00 0.00 C ATOM 905 O GLN A 63 8.218 -11.966 6.884 1.00 0.00 O ATOM 906 CB GLN A 63 10.510 -9.909 5.827 1.00 0.00 C ATOM 907 CG GLN A 63 11.991 -9.577 5.903 1.00 0.00 C ATOM 908 CD GLN A 63 12.602 -9.938 7.243 1.00 0.00 C ATOM 909 OE1 GLN A 63 13.310 -10.937 7.367 1.00 0.00 O ATOM 910 NE2 GLN A 63 12.330 -9.123 8.256 1.00 0.00 N ATOM 0 H GLN A 63 10.283 -11.520 3.597 1.00 0.00 H new ATOM 0 HA GLN A 63 10.728 -11.940 6.496 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.072 -9.385 4.978 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.016 -9.534 6.723 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.520 -10.109 5.112 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.131 -8.512 5.720 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.738 -8.306 8.108 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.713 -9.315 9.182 1.00 0.00 H new ATOM 919 N SER A 64 8.020 -11.536 4.684 1.00 0.00 N ATOM 920 CA SER A 64 6.578 -11.750 4.660 1.00 0.00 C ATOM 921 C SER A 64 6.237 -13.194 5.013 1.00 0.00 C ATOM 922 O SER A 64 6.889 -14.128 4.549 1.00 0.00 O ATOM 923 CB SER A 64 6.013 -11.402 3.281 1.00 0.00 C ATOM 924 OG SER A 64 6.062 -12.521 2.413 1.00 0.00 O ATOM 0 H SER A 64 8.424 -11.287 3.781 1.00 0.00 H new ATOM 0 HA SER A 64 6.126 -11.096 5.406 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.983 -11.061 3.382 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.581 -10.578 2.849 1.00 0.00 H new ATOM 0 HG SER A 64 5.242 -12.556 1.878 1.00 0.00 H new ATOM 930 N ASN A 65 5.209 -13.368 5.837 1.00 0.00 N ATOM 931 CA ASN A 65 4.780 -14.698 6.254 1.00 0.00 C ATOM 932 C ASN A 65 3.317 -14.935 5.895 1.00 0.00 C ATOM 933 O ASN A 65 2.683 -14.101 5.249 1.00 0.00 O ATOM 934 CB ASN A 65 4.983 -14.874 7.760 1.00 0.00 C ATOM 935 CG ASN A 65 6.172 -14.088 8.279 1.00 0.00 C ATOM 936 OD1 ASN A 65 7.293 -14.248 7.798 1.00 0.00 O ATOM 937 ND2 ASN A 65 5.930 -13.234 9.267 1.00 0.00 N ATOM 0 H ASN A 65 4.658 -12.605 6.229 1.00 0.00 H new ATOM 0 HA ASN A 65 5.389 -15.431 5.725 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.083 -14.555 8.285 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.124 -15.931 7.984 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.690 -12.678 9.658 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.984 -13.134 9.635 1.00 0.00 H new ATOM 944 N GLU A 66 2.786 -16.078 6.320 1.00 0.00 N ATOM 945 CA GLU A 66 1.397 -16.424 6.043 1.00 0.00 C ATOM 946 C GLU A 66 0.446 -15.465 6.752 1.00 0.00 C ATOM 947 O GLU A 66 -0.697 -15.283 6.332 1.00 0.00 O ATOM 948 CB GLU A 66 1.109 -17.862 6.481 1.00 0.00 C ATOM 949 CG GLU A 66 0.755 -17.990 7.953 1.00 0.00 C ATOM 950 CD GLU A 66 0.920 -19.405 8.471 1.00 0.00 C ATOM 951 OE1 GLU A 66 0.354 -20.332 7.854 1.00 0.00 O ATOM 952 OE2 GLU A 66 1.613 -19.586 9.494 1.00 0.00 O ATOM 0 H GLU A 66 3.297 -16.779 6.857 1.00 0.00 H new ATOM 0 HA GLU A 66 1.236 -16.340 4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.288 -18.258 5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.983 -18.479 6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.386 -17.318 8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.276 -17.669 8.104 1.00 0.00 H new ATOM 959 N VAL A 67 0.926 -14.853 7.830 1.00 0.00 N ATOM 960 CA VAL A 67 0.120 -13.912 8.598 1.00 0.00 C ATOM 961 C VAL A 67 0.778 -12.538 8.648 1.00 0.00 C ATOM 962 O VAL A 67 0.485 -11.728 9.528 1.00 0.00 O ATOM 963 CB VAL A 67 -0.109 -14.412 10.036 1.00 0.00 C ATOM 964 CG1 VAL A 67 -1.053 -15.605 10.043 1.00 0.00 C ATOM 965 CG2 VAL A 67 1.216 -14.766 10.694 1.00 0.00 C ATOM 0 H VAL A 67 1.870 -14.992 8.191 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.842 -13.833 8.092 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.572 -13.610 10.612 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.203 -15.944 11.068 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.011 -15.313 9.614 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.622 -16.413 9.452 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.035 -15.118 11.710 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.709 -15.551 10.121 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.855 -13.883 10.724 1.00 0.00 H new ATOM 975 N THR A 68 1.670 -12.279 7.697 1.00 0.00 N ATOM 976 CA THR A 68 2.371 -11.003 7.632 1.00 0.00 C ATOM 977 C THR A 68 2.801 -10.684 6.205 1.00 0.00 C ATOM 978 O THR A 68 3.319 -11.546 5.493 1.00 0.00 O ATOM 979 CB THR A 68 3.613 -10.998 8.543 1.00 0.00 C ATOM 980 OG1 THR A 68 3.330 -11.697 9.761 1.00 0.00 O ATOM 981 CG2 THR A 68 4.046 -9.574 8.859 1.00 0.00 C ATOM 0 H THR A 68 1.924 -12.937 6.960 1.00 0.00 H new ATOM 0 HA THR A 68 1.673 -10.241 7.977 1.00 0.00 H new ATOM 0 HB THR A 68 4.425 -11.500 8.017 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.976 -11.431 10.449 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.925 -9.595 9.504 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.288 -9.053 7.933 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.236 -9.052 9.368 1.00 0.00 H new ATOM 989 N LEU A 69 2.584 -9.440 5.791 1.00 0.00 N ATOM 990 CA LEU A 69 2.951 -9.006 4.448 1.00 0.00 C ATOM 991 C LEU A 69 3.947 -7.852 4.501 1.00 0.00 C ATOM 992 O LEU A 69 3.579 -6.712 4.789 1.00 0.00 O ATOM 993 CB LEU A 69 1.703 -8.583 3.669 1.00 0.00 C ATOM 994 CG LEU A 69 0.932 -9.706 2.976 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.190 -9.136 2.122 1.00 0.00 C ATOM 996 CD2 LEU A 69 1.870 -10.554 2.129 1.00 0.00 C ATOM 0 H LEU A 69 2.156 -8.715 6.366 1.00 0.00 H new ATOM 0 HA LEU A 69 3.424 -9.845 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.026 -8.074 4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.000 -7.854 2.915 1.00 0.00 H new ATOM 0 HG LEU A 69 0.490 -10.343 3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.728 -9.951 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.877 -8.573 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.230 -8.475 1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.303 -11.348 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.341 -9.929 1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.638 -10.993 2.766 1.00 0.00 H new ATOM 1008 N THR A 70 5.210 -8.154 4.219 1.00 0.00 N ATOM 1009 CA THR A 70 6.259 -7.142 4.233 1.00 0.00 C ATOM 1010 C THR A 70 6.547 -6.629 2.827 1.00 0.00 C ATOM 1011 O THR A 70 6.889 -7.401 1.930 1.00 0.00 O ATOM 1012 CB THR A 70 7.562 -7.693 4.843 1.00 0.00 C ATOM 1013 OG1 THR A 70 7.314 -8.187 6.164 1.00 0.00 O ATOM 1014 CG2 THR A 70 8.634 -6.615 4.892 1.00 0.00 C ATOM 0 H THR A 70 5.532 -9.092 3.978 1.00 0.00 H new ATOM 0 HA THR A 70 5.897 -6.319 4.850 1.00 0.00 H new ATOM 0 HB THR A 70 7.917 -8.508 4.212 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.167 -8.389 6.603 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.545 -7.027 5.326 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.841 -6.262 3.882 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.285 -5.782 5.503 1.00 0.00 H new ATOM 1022 N LEU A 71 6.408 -5.321 2.640 1.00 0.00 N ATOM 1023 CA LEU A 71 6.654 -4.703 1.341 1.00 0.00 C ATOM 1024 C LEU A 71 7.357 -3.359 1.502 1.00 0.00 C ATOM 1025 O LEU A 71 7.479 -2.838 2.612 1.00 0.00 O ATOM 1026 CB LEU A 71 5.337 -4.516 0.586 1.00 0.00 C ATOM 1027 CG LEU A 71 4.480 -3.326 1.016 1.00 0.00 C ATOM 1028 CD1 LEU A 71 3.660 -2.807 -0.155 1.00 0.00 C ATOM 1029 CD2 LEU A 71 3.573 -3.713 2.175 1.00 0.00 C ATOM 0 H LEU A 71 6.126 -4.668 3.371 1.00 0.00 H new ATOM 0 HA LEU A 71 7.303 -5.365 0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.562 -4.412 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.745 -5.424 0.699 1.00 0.00 H new ATOM 0 HG LEU A 71 5.143 -2.528 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.056 -1.960 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.329 -2.490 -0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.006 -3.599 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.970 -2.853 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.918 -4.528 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.181 -4.035 3.021 1.00 0.00 H new ATOM 1041 N THR A 72 7.816 -2.800 0.387 1.00 0.00 N ATOM 1042 CA THR A 72 8.505 -1.516 0.404 1.00 0.00 C ATOM 1043 C THR A 72 7.604 -0.401 -0.116 1.00 0.00 C ATOM 1044 O THR A 72 7.383 -0.279 -1.321 1.00 0.00 O ATOM 1045 CB THR A 72 9.792 -1.557 -0.443 1.00 0.00 C ATOM 1046 OG1 THR A 72 10.684 -2.553 0.070 1.00 0.00 O ATOM 1047 CG2 THR A 72 10.482 -0.202 -0.445 1.00 0.00 C ATOM 0 H THR A 72 7.723 -3.217 -0.539 1.00 0.00 H new ATOM 0 HA THR A 72 8.768 -1.313 1.442 1.00 0.00 H new ATOM 0 HB THR A 72 9.519 -1.808 -1.468 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.499 -2.574 -0.474 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.388 -0.256 -1.049 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.810 0.548 -0.864 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.743 0.075 0.576 1.00 0.00 H new ATOM 1055 N VAL A 73 7.087 0.411 0.800 1.00 0.00 N ATOM 1056 CA VAL A 73 6.211 1.517 0.434 1.00 0.00 C ATOM 1057 C VAL A 73 6.677 2.183 -0.856 1.00 0.00 C ATOM 1058 O VAL A 73 7.814 2.640 -0.973 1.00 0.00 O ATOM 1059 CB VAL A 73 6.147 2.576 1.551 1.00 0.00 C ATOM 1060 CG1 VAL A 73 5.094 3.627 1.231 1.00 0.00 C ATOM 1061 CG2 VAL A 73 5.865 1.918 2.893 1.00 0.00 C ATOM 0 H VAL A 73 7.260 0.324 1.801 1.00 0.00 H new ATOM 0 HA VAL A 73 5.216 1.097 0.284 1.00 0.00 H new ATOM 0 HB VAL A 73 7.115 3.073 1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.063 4.367 2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.345 4.119 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.119 3.149 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.823 2.681 3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.911 1.393 2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.659 1.208 3.124 1.00 0.00 H new ATOM 1071 N PRO A 74 5.778 2.240 -1.850 1.00 0.00 N ATOM 1072 CA PRO A 74 6.073 2.850 -3.150 1.00 0.00 C ATOM 1073 C PRO A 74 6.217 4.365 -3.061 1.00 0.00 C ATOM 1074 O PRO A 74 5.781 4.982 -2.090 1.00 0.00 O ATOM 1075 CB PRO A 74 4.857 2.477 -4.001 1.00 0.00 C ATOM 1076 CG PRO A 74 3.756 2.272 -3.019 1.00 0.00 C ATOM 1077 CD PRO A 74 4.404 1.716 -1.781 1.00 0.00 C ATOM 0 HA PRO A 74 7.020 2.499 -3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.613 3.268 -4.710 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.043 1.574 -4.582 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.245 3.210 -2.804 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.007 1.583 -3.410 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.893 2.047 -0.877 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.389 0.626 -1.775 1.00 0.00 H new ATOM 1085 N GLU A 75 6.831 4.958 -4.081 1.00 0.00 N ATOM 1086 CA GLU A 75 7.032 6.402 -4.116 1.00 0.00 C ATOM 1087 C GLU A 75 5.833 7.102 -4.750 1.00 0.00 C ATOM 1088 O GLU A 75 5.400 6.745 -5.846 1.00 0.00 O ATOM 1089 CB GLU A 75 8.305 6.743 -4.892 1.00 0.00 C ATOM 1090 CG GLU A 75 9.579 6.273 -4.209 1.00 0.00 C ATOM 1091 CD GLU A 75 10.686 5.954 -5.194 1.00 0.00 C ATOM 1092 OE1 GLU A 75 11.454 6.875 -5.543 1.00 0.00 O ATOM 1093 OE2 GLU A 75 10.784 4.783 -5.616 1.00 0.00 O ATOM 0 H GLU A 75 7.197 4.461 -4.893 1.00 0.00 H new ATOM 0 HA GLU A 75 7.136 6.754 -3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.247 6.294 -5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.356 7.823 -5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.923 7.044 -3.519 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.361 5.387 -3.613 1.00 0.00 H new ATOM 1100 N TYR A 76 5.303 8.101 -4.053 1.00 0.00 N ATOM 1101 CA TYR A 76 4.153 8.850 -4.545 1.00 0.00 C ATOM 1102 C TYR A 76 4.529 9.686 -5.765 1.00 0.00 C ATOM 1103 O TYR A 76 5.573 10.337 -5.787 1.00 0.00 O ATOM 1104 CB TYR A 76 3.598 9.755 -3.444 1.00 0.00 C ATOM 1105 CG TYR A 76 2.319 10.464 -3.829 1.00 0.00 C ATOM 1106 CD1 TYR A 76 1.300 9.788 -4.488 1.00 0.00 C ATOM 1107 CD2 TYR A 76 2.131 11.809 -3.536 1.00 0.00 C ATOM 1108 CE1 TYR A 76 0.129 10.431 -4.843 1.00 0.00 C ATOM 1109 CE2 TYR A 76 0.964 12.460 -3.886 1.00 0.00 C ATOM 1110 CZ TYR A 76 -0.034 11.767 -4.539 1.00 0.00 C ATOM 1111 OH TYR A 76 -1.197 12.412 -4.890 1.00 0.00 O ATOM 0 H TYR A 76 5.651 8.411 -3.146 1.00 0.00 H new ATOM 0 HA TYR A 76 3.385 8.135 -4.840 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.417 9.157 -2.551 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.351 10.499 -3.183 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.425 8.742 -4.727 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.911 12.355 -3.026 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.654 9.891 -5.355 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.834 13.506 -3.650 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.382 12.259 -5.840 1.00 0.00 H new ATOM 1121 N SER A 77 3.669 9.662 -6.778 1.00 0.00 N ATOM 1122 CA SER A 77 3.911 10.415 -8.003 1.00 0.00 C ATOM 1123 C SER A 77 4.485 11.793 -7.690 1.00 0.00 C ATOM 1124 O SER A 77 5.596 12.123 -8.103 1.00 0.00 O ATOM 1125 CB SER A 77 2.614 10.560 -8.802 1.00 0.00 C ATOM 1126 OG SER A 77 2.806 11.380 -9.942 1.00 0.00 O ATOM 0 H SER A 77 2.799 9.130 -6.775 1.00 0.00 H new ATOM 0 HA SER A 77 4.638 9.865 -8.600 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.263 9.576 -9.113 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.839 10.989 -8.168 1.00 0.00 H new ATOM 0 HG SER A 77 1.963 11.455 -10.436 1.00 0.00 H new ATOM 1132 N ASN A 78 3.719 12.594 -6.957 1.00 0.00 N ATOM 1133 CA ASN A 78 4.150 13.937 -6.588 1.00 0.00 C ATOM 1134 C ASN A 78 4.972 13.911 -5.303 1.00 0.00 C ATOM 1135 O ASN A 78 4.424 13.861 -4.202 1.00 0.00 O ATOM 1136 CB ASN A 78 2.938 14.855 -6.412 1.00 0.00 C ATOM 1137 CG ASN A 78 3.310 16.323 -6.481 1.00 0.00 C ATOM 1138 OD1 ASN A 78 4.471 16.690 -6.304 1.00 0.00 O ATOM 1139 ND2 ASN A 78 2.321 17.172 -6.737 1.00 0.00 N ATOM 0 H ASN A 78 2.796 12.336 -6.607 1.00 0.00 H new ATOM 0 HA ASN A 78 4.776 14.323 -7.392 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.202 14.633 -7.185 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.465 14.648 -5.452 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.510 18.173 -6.793 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.373 16.823 -6.877 1.00 0.00 H new ATOM 1146 N LYS A 79 6.292 13.946 -5.452 1.00 0.00 N ATOM 1147 CA LYS A 79 7.192 13.928 -4.304 1.00 0.00 C ATOM 1148 C LYS A 79 7.633 15.341 -3.937 1.00 0.00 C ATOM 1149 O LYS A 79 8.247 15.558 -2.892 1.00 0.00 O ATOM 1150 CB LYS A 79 8.418 13.062 -4.605 1.00 0.00 C ATOM 1151 CG LYS A 79 8.138 11.570 -4.544 1.00 0.00 C ATOM 1152 CD LYS A 79 9.420 10.767 -4.408 1.00 0.00 C ATOM 1153 CE LYS A 79 10.162 10.673 -5.733 1.00 0.00 C ATOM 1154 NZ LYS A 79 11.096 11.816 -5.928 1.00 0.00 N ATOM 0 H LYS A 79 6.762 13.987 -6.356 1.00 0.00 H new ATOM 0 HA LYS A 79 6.653 13.503 -3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.795 13.312 -5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.207 13.305 -3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.483 11.356 -3.700 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.608 11.261 -5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.064 11.231 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.186 9.765 -4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.720 9.737 -5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.442 10.648 -6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.871 12.300 -6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.996 12.484 -5.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.074 11.463 -5.962 1.00 0.00 H new ATOM 1168 N ARG A 80 7.316 16.299 -4.802 1.00 0.00 N ATOM 1169 CA ARG A 80 7.679 17.691 -4.567 1.00 0.00 C ATOM 1170 C ARG A 80 6.494 18.477 -4.013 1.00 0.00 C ATOM 1171 O ARG A 80 6.235 19.606 -4.430 1.00 0.00 O ATOM 1172 CB ARG A 80 8.172 18.337 -5.864 1.00 0.00 C ATOM 1173 CG ARG A 80 9.243 17.529 -6.578 1.00 0.00 C ATOM 1174 CD ARG A 80 10.131 18.417 -7.436 1.00 0.00 C ATOM 1175 NE ARG A 80 10.785 19.460 -6.650 1.00 0.00 N ATOM 1176 CZ ARG A 80 11.583 20.384 -7.173 1.00 0.00 C ATOM 1177 NH1 ARG A 80 11.824 20.394 -8.477 1.00 0.00 N ATOM 1178 NH2 ARG A 80 12.141 21.300 -6.393 1.00 0.00 N ATOM 0 H ARG A 80 6.809 16.136 -5.672 1.00 0.00 H new ATOM 0 HA ARG A 80 8.482 17.711 -3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.325 18.475 -6.536 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.566 19.328 -5.639 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.853 17.003 -5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.772 16.771 -7.203 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.888 17.806 -7.928 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.532 18.877 -8.222 1.00 0.00 H new ATOM 0 HE ARG A 80 10.620 19.480 -5.644 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.396 19.691 -9.080 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.437 21.104 -8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.958 21.296 -5.390 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.754 22.009 -6.796 1.00 0.00 H new ATOM 1192 N VAL A 81 5.778 17.871 -3.071 1.00 0.00 N ATOM 1193 CA VAL A 81 4.621 18.514 -2.460 1.00 0.00 C ATOM 1194 C VAL A 81 4.982 19.128 -1.112 1.00 0.00 C ATOM 1195 O VAL A 81 5.816 18.597 -0.379 1.00 0.00 O ATOM 1196 CB VAL A 81 3.464 17.516 -2.263 1.00 0.00 C ATOM 1197 CG1 VAL A 81 2.695 17.327 -3.562 1.00 0.00 C ATOM 1198 CG2 VAL A 81 3.990 16.186 -1.747 1.00 0.00 C ATOM 0 H VAL A 81 5.979 16.937 -2.715 1.00 0.00 H new ATOM 0 HA VAL A 81 4.300 19.302 -3.141 1.00 0.00 H new ATOM 0 HB VAL A 81 2.779 17.923 -1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.882 16.619 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.285 18.284 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.366 16.943 -4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.159 15.493 -1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.697 15.771 -2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.492 16.339 -0.791 1.00 0.00 H new ATOM 1208 N SER A 82 4.347 20.251 -0.791 1.00 0.00 N ATOM 1209 CA SER A 82 4.604 20.941 0.468 1.00 0.00 C ATOM 1210 C SER A 82 3.552 20.577 1.511 1.00 0.00 C ATOM 1211 O SER A 82 3.500 21.169 2.590 1.00 0.00 O ATOM 1212 CB SER A 82 4.620 22.455 0.251 1.00 0.00 C ATOM 1213 OG SER A 82 5.732 22.845 -0.536 1.00 0.00 O ATOM 0 H SER A 82 3.651 20.702 -1.385 1.00 0.00 H new ATOM 0 HA SER A 82 5.580 20.624 0.835 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.697 22.765 -0.239 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.656 22.963 1.214 1.00 0.00 H new ATOM 0 HG SER A 82 5.719 23.817 -0.662 1.00 0.00 H new ATOM 1219 N ARG A 83 2.715 19.598 1.182 1.00 0.00 N ATOM 1220 CA ARG A 83 1.663 19.155 2.089 1.00 0.00 C ATOM 1221 C ARG A 83 1.451 17.648 1.980 1.00 0.00 C ATOM 1222 O ARG A 83 1.721 17.031 0.950 1.00 0.00 O ATOM 1223 CB ARG A 83 0.355 19.888 1.784 1.00 0.00 C ATOM 1224 CG ARG A 83 0.424 21.386 2.032 1.00 0.00 C ATOM 1225 CD ARG A 83 0.319 21.710 3.514 1.00 0.00 C ATOM 1226 NE ARG A 83 -0.977 21.329 4.068 1.00 0.00 N ATOM 1227 CZ ARG A 83 -1.382 21.663 5.288 1.00 0.00 C ATOM 1228 NH1 ARG A 83 -0.596 22.381 6.078 1.00 0.00 N ATOM 1229 NH2 ARG A 83 -2.576 21.278 5.720 1.00 0.00 N ATOM 0 H ARG A 83 2.745 19.097 0.294 1.00 0.00 H new ATOM 0 HA ARG A 83 1.974 19.389 3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.085 19.713 0.743 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.441 19.463 2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.362 21.778 1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.382 21.883 1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.111 21.192 4.055 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.477 22.778 3.663 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.606 20.776 3.486 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.323 22.679 5.749 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.910 22.636 7.014 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.183 20.725 5.115 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.886 21.535 6.657 1.00 0.00 H new ATOM 1243 N PRO A 84 0.955 17.040 3.068 1.00 0.00 N ATOM 1244 CA PRO A 84 0.696 15.598 3.120 1.00 0.00 C ATOM 1245 C PRO A 84 -0.477 15.188 2.237 1.00 0.00 C ATOM 1246 O PRO A 84 -1.421 15.955 2.045 1.00 0.00 O ATOM 1247 CB PRO A 84 0.368 15.350 4.595 1.00 0.00 C ATOM 1248 CG PRO A 84 -0.141 16.658 5.095 1.00 0.00 C ATOM 1249 CD PRO A 84 0.610 17.713 4.331 1.00 0.00 C ATOM 0 HA PRO A 84 1.543 15.018 2.754 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -0.380 14.565 4.708 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.251 15.031 5.149 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -1.215 16.747 4.931 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.027 16.758 6.167 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.003 18.598 4.160 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.500 18.041 4.868 1.00 0.00 H new ATOM 1257 N VAL A 85 -0.412 13.973 1.701 1.00 0.00 N ATOM 1258 CA VAL A 85 -1.470 13.460 0.838 1.00 0.00 C ATOM 1259 C VAL A 85 -2.049 12.163 1.392 1.00 0.00 C ATOM 1260 O VAL A 85 -1.320 11.317 1.908 1.00 0.00 O ATOM 1261 CB VAL A 85 -0.956 13.211 -0.592 1.00 0.00 C ATOM 1262 CG1 VAL A 85 -2.112 12.882 -1.525 1.00 0.00 C ATOM 1263 CG2 VAL A 85 -0.179 14.417 -1.097 1.00 0.00 C ATOM 0 H VAL A 85 0.362 13.326 1.849 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.251 14.220 0.808 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.281 12.355 -0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.730 12.709 -2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.621 11.986 -1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.814 13.715 -1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.177 14.223 -2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.829 15.292 -1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.673 14.601 -0.442 1.00 0.00 H new ATOM 1273 N GLN A 86 -3.366 12.015 1.281 1.00 0.00 N ATOM 1274 CA GLN A 86 -4.043 10.821 1.771 1.00 0.00 C ATOM 1275 C GLN A 86 -4.381 9.876 0.622 1.00 0.00 C ATOM 1276 O GLN A 86 -5.218 10.187 -0.226 1.00 0.00 O ATOM 1277 CB GLN A 86 -5.319 11.205 2.523 1.00 0.00 C ATOM 1278 CG GLN A 86 -6.184 10.013 2.901 1.00 0.00 C ATOM 1279 CD GLN A 86 -5.784 9.400 4.228 1.00 0.00 C ATOM 1280 OE1 GLN A 86 -5.881 10.040 5.276 1.00 0.00 O ATOM 1281 NE2 GLN A 86 -5.330 8.152 4.191 1.00 0.00 N ATOM 0 H GLN A 86 -3.984 12.707 0.856 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.368 10.306 2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.048 11.748 3.428 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.904 11.887 1.905 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.227 10.326 2.949 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.115 9.256 2.120 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.266 7.659 3.300 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.045 7.687 5.053 1.00 0.00 H new ATOM 1290 N VAL A 87 -3.723 8.721 0.599 1.00 0.00 N ATOM 1291 CA VAL A 87 -3.954 7.731 -0.445 1.00 0.00 C ATOM 1292 C VAL A 87 -4.579 6.463 0.127 1.00 0.00 C ATOM 1293 O VAL A 87 -4.795 6.356 1.334 1.00 0.00 O ATOM 1294 CB VAL A 87 -2.645 7.362 -1.169 1.00 0.00 C ATOM 1295 CG1 VAL A 87 -1.955 8.612 -1.694 1.00 0.00 C ATOM 1296 CG2 VAL A 87 -1.724 6.586 -0.240 1.00 0.00 C ATOM 0 H VAL A 87 -3.026 8.448 1.292 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.642 8.181 -1.160 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.887 6.725 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.032 8.332 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.614 9.124 -2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.723 9.277 -0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.804 6.333 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.487 7.197 0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.220 5.671 0.083 1.00 0.00 H new ATOM 1306 N TYR A 88 -4.867 5.505 -0.747 1.00 0.00 N ATOM 1307 CA TYR A 88 -5.469 4.245 -0.329 1.00 0.00 C ATOM 1308 C TYR A 88 -4.902 3.078 -1.131 1.00 0.00 C ATOM 1309 O TYR A 88 -4.414 3.255 -2.247 1.00 0.00 O ATOM 1310 CB TYR A 88 -6.988 4.302 -0.495 1.00 0.00 C ATOM 1311 CG TYR A 88 -7.688 5.082 0.595 1.00 0.00 C ATOM 1312 CD1 TYR A 88 -7.786 6.467 0.532 1.00 0.00 C ATOM 1313 CD2 TYR A 88 -8.251 4.435 1.688 1.00 0.00 C ATOM 1314 CE1 TYR A 88 -8.423 7.184 1.526 1.00 0.00 C ATOM 1315 CE2 TYR A 88 -8.892 5.143 2.686 1.00 0.00 C ATOM 1316 CZ TYR A 88 -8.975 6.517 2.601 1.00 0.00 C ATOM 1317 OH TYR A 88 -9.612 7.228 3.592 1.00 0.00 O ATOM 0 H TYR A 88 -4.693 5.577 -1.749 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.231 4.089 0.723 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.223 4.752 -1.460 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.381 3.286 -0.513 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.357 6.992 -0.309 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.186 3.359 1.759 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.489 8.260 1.462 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.326 4.624 3.528 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.946 6.610 4.275 1.00 0.00 H new ATOM 1327 N PHE A 89 -4.971 1.883 -0.553 1.00 0.00 N ATOM 1328 CA PHE A 89 -4.464 0.685 -1.213 1.00 0.00 C ATOM 1329 C PHE A 89 -5.204 -0.558 -0.726 1.00 0.00 C ATOM 1330 O PHE A 89 -5.951 -0.506 0.252 1.00 0.00 O ATOM 1331 CB PHE A 89 -2.964 0.531 -0.956 1.00 0.00 C ATOM 1332 CG PHE A 89 -2.616 0.384 0.497 1.00 0.00 C ATOM 1333 CD1 PHE A 89 -2.879 1.407 1.394 1.00 0.00 C ATOM 1334 CD2 PHE A 89 -2.025 -0.778 0.967 1.00 0.00 C ATOM 1335 CE1 PHE A 89 -2.560 1.274 2.732 1.00 0.00 C ATOM 1336 CE2 PHE A 89 -1.705 -0.917 2.305 1.00 0.00 C ATOM 1337 CZ PHE A 89 -1.971 0.111 3.188 1.00 0.00 C ATOM 0 H PHE A 89 -5.373 1.718 0.370 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.633 0.792 -2.284 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.598 -0.341 -1.499 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.443 1.399 -1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.339 2.319 1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.812 -1.584 0.281 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.771 2.079 3.421 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.247 -1.829 2.659 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.719 0.006 4.233 1.00 0.00 H new ATOM 1347 N TYR A 90 -4.992 -1.673 -1.415 1.00 0.00 N ATOM 1348 CA TYR A 90 -5.641 -2.929 -1.056 1.00 0.00 C ATOM 1349 C TYR A 90 -4.803 -4.122 -1.505 1.00 0.00 C ATOM 1350 O TYR A 90 -3.862 -3.977 -2.286 1.00 0.00 O ATOM 1351 CB TYR A 90 -7.034 -3.005 -1.682 1.00 0.00 C ATOM 1352 CG TYR A 90 -7.014 -3.162 -3.186 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -6.963 -2.053 -4.020 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -7.046 -4.422 -3.772 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -6.945 -2.192 -5.395 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -7.028 -4.571 -5.146 1.00 0.00 C ATOM 1357 CZ TYR A 90 -6.978 -3.454 -5.952 1.00 0.00 C ATOM 1358 OH TYR A 90 -6.959 -3.597 -7.321 1.00 0.00 O ATOM 0 H TYR A 90 -4.376 -1.733 -2.226 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.736 -2.963 0.029 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.574 -3.844 -1.245 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.588 -2.102 -1.427 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.937 -1.064 -3.587 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -7.086 -5.299 -3.143 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.905 -1.319 -6.029 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.053 -5.557 -5.586 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.986 -4.549 -7.551 1.00 0.00 H new ATOM 1368 N VAL A 91 -5.153 -5.304 -1.006 1.00 0.00 N ATOM 1369 CA VAL A 91 -4.437 -6.524 -1.357 1.00 0.00 C ATOM 1370 C VAL A 91 -5.199 -7.328 -2.403 1.00 0.00 C ATOM 1371 O VAL A 91 -6.277 -7.858 -2.130 1.00 0.00 O ATOM 1372 CB VAL A 91 -4.198 -7.409 -0.119 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -3.371 -8.632 -0.488 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -3.520 -6.610 0.984 1.00 0.00 C ATOM 0 H VAL A 91 -5.928 -5.442 -0.357 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.475 -6.219 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.164 -7.752 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.212 -9.245 0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.900 -9.215 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.407 -8.313 -0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.359 -7.251 1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.561 -6.236 0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.154 -5.770 1.267 1.00 0.00 H new ATOM 1384 N SER A 92 -4.633 -7.417 -3.602 1.00 0.00 N ATOM 1385 CA SER A 92 -5.261 -8.154 -4.692 1.00 0.00 C ATOM 1386 C SER A 92 -4.970 -9.647 -4.577 1.00 0.00 C ATOM 1387 O SER A 92 -3.825 -10.079 -4.704 1.00 0.00 O ATOM 1388 CB SER A 92 -4.768 -7.630 -6.042 1.00 0.00 C ATOM 1389 OG SER A 92 -5.405 -8.301 -7.114 1.00 0.00 O ATOM 0 H SER A 92 -3.740 -6.987 -3.843 1.00 0.00 H new ATOM 0 HA SER A 92 -6.339 -8.005 -4.624 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.962 -6.560 -6.113 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.689 -7.764 -6.115 1.00 0.00 H new ATOM 0 HG SER A 92 -5.073 -7.946 -7.965 1.00 0.00 H new ATOM 1395 N ASN A 93 -6.016 -10.431 -4.335 1.00 0.00 N ATOM 1396 CA ASN A 93 -5.873 -11.876 -4.201 1.00 0.00 C ATOM 1397 C ASN A 93 -6.932 -12.605 -5.023 1.00 0.00 C ATOM 1398 O ASN A 93 -8.096 -12.676 -4.632 1.00 0.00 O ATOM 1399 CB ASN A 93 -5.981 -12.286 -2.731 1.00 0.00 C ATOM 1400 CG ASN A 93 -4.655 -12.179 -2.002 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -3.692 -11.614 -2.522 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -4.600 -12.721 -0.792 1.00 0.00 N ATOM 0 H ASN A 93 -6.971 -10.090 -4.228 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.889 -12.156 -4.578 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.718 -11.655 -2.234 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.345 -13.311 -2.668 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.735 -12.679 -0.253 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.423 -13.179 -0.401 1.00 0.00 H new ATOM 1409 N GLY A 94 -6.518 -13.147 -6.164 1.00 0.00 N ATOM 1410 CA GLY A 94 -7.442 -13.864 -7.023 1.00 0.00 C ATOM 1411 C GLY A 94 -8.147 -12.951 -8.007 1.00 0.00 C ATOM 1412 O GLY A 94 -7.502 -12.188 -8.727 1.00 0.00 O ATOM 0 H GLY A 94 -5.559 -13.102 -6.509 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.900 -14.635 -7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.184 -14.373 -6.408 1.00 0.00 H new ATOM 1416 N ARG A 95 -9.473 -13.030 -8.040 1.00 0.00 N ATOM 1417 CA ARG A 95 -10.265 -12.207 -8.945 1.00 0.00 C ATOM 1418 C ARG A 95 -11.349 -11.450 -8.184 1.00 0.00 C ATOM 1419 O ARG A 95 -11.559 -10.257 -8.404 1.00 0.00 O ATOM 1420 CB ARG A 95 -10.902 -13.074 -10.033 1.00 0.00 C ATOM 1421 CG ARG A 95 -11.796 -14.176 -9.487 1.00 0.00 C ATOM 1422 CD ARG A 95 -12.404 -15.006 -10.607 1.00 0.00 C ATOM 1423 NE ARG A 95 -11.395 -15.784 -11.321 1.00 0.00 N ATOM 1424 CZ ARG A 95 -10.672 -15.304 -12.326 1.00 0.00 C ATOM 1425 NH1 ARG A 95 -10.844 -14.054 -12.733 1.00 0.00 N ATOM 1426 NH2 ARG A 95 -9.773 -16.074 -12.926 1.00 0.00 N ATOM 0 H ARG A 95 -10.021 -13.656 -7.450 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.599 -11.482 -9.412 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -11.488 -12.438 -10.696 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.113 -13.523 -10.636 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.217 -14.822 -8.827 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -12.592 -13.736 -8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -13.155 -15.679 -10.193 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -12.918 -14.348 -11.308 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.237 -16.749 -11.032 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.533 -13.458 -12.274 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.287 -13.688 -13.505 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.637 -17.036 -12.615 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.218 -15.704 -13.698 1.00 0.00 H new ATOM 1440 N ARG A 96 -12.035 -12.151 -7.287 1.00 0.00 N ATOM 1441 CA ARG A 96 -13.098 -11.546 -6.495 1.00 0.00 C ATOM 1442 C ARG A 96 -12.635 -11.298 -5.062 1.00 0.00 C ATOM 1443 O ARG A 96 -12.942 -10.264 -4.468 1.00 0.00 O ATOM 1444 CB ARG A 96 -14.337 -12.444 -6.492 1.00 0.00 C ATOM 1445 CG ARG A 96 -15.460 -11.931 -5.608 1.00 0.00 C ATOM 1446 CD ARG A 96 -16.276 -10.856 -6.310 1.00 0.00 C ATOM 1447 NE ARG A 96 -17.176 -11.420 -7.312 1.00 0.00 N ATOM 1448 CZ ARG A 96 -18.130 -10.722 -7.918 1.00 0.00 C ATOM 1449 NH1 ARG A 96 -18.308 -9.442 -7.625 1.00 0.00 N ATOM 1450 NH2 ARG A 96 -18.909 -11.306 -8.820 1.00 0.00 N ATOM 0 H ARG A 96 -11.873 -13.139 -7.091 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.353 -10.588 -6.948 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -14.706 -12.542 -7.513 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -14.051 -13.442 -6.159 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -16.111 -12.759 -5.328 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -15.043 -11.528 -4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -16.856 -10.302 -5.572 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -15.603 -10.144 -6.787 1.00 0.00 H new ATOM 0 HE ARG A 96 -17.066 -12.403 -7.560 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -17.711 -8.990 -6.932 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -19.042 -8.909 -8.092 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -18.775 -12.291 -9.048 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -19.641 -10.770 -9.285 1.00 0.00 H new ATOM 1464 N LYS A 97 -11.893 -12.253 -4.512 1.00 0.00 N ATOM 1465 CA LYS A 97 -11.385 -12.140 -3.150 1.00 0.00 C ATOM 1466 C LYS A 97 -10.475 -10.924 -3.008 1.00 0.00 C ATOM 1467 O LYS A 97 -9.263 -11.018 -3.202 1.00 0.00 O ATOM 1468 CB LYS A 97 -10.623 -13.408 -2.760 1.00 0.00 C ATOM 1469 CG LYS A 97 -11.449 -14.677 -2.887 1.00 0.00 C ATOM 1470 CD LYS A 97 -10.577 -15.881 -3.199 1.00 0.00 C ATOM 1471 CE LYS A 97 -11.282 -17.184 -2.855 1.00 0.00 C ATOM 1472 NZ LYS A 97 -10.315 -18.290 -2.607 1.00 0.00 N ATOM 0 H LYS A 97 -11.630 -13.115 -4.989 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.237 -12.015 -2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.737 -13.497 -3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.276 -13.312 -1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.994 -14.852 -1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.192 -14.551 -3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.314 -15.877 -4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.645 -15.811 -2.638 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.902 -17.039 -1.970 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.950 -17.462 -3.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.835 -19.160 -2.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.740 -18.446 -3.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -9.694 -18.036 -1.812 1.00 0.00 H new ATOM 1486 N ARG A 98 -11.067 -9.784 -2.667 1.00 0.00 N ATOM 1487 CA ARG A 98 -10.309 -8.550 -2.499 1.00 0.00 C ATOM 1488 C ARG A 98 -10.333 -8.091 -1.044 1.00 0.00 C ATOM 1489 O ARG A 98 -11.153 -8.553 -0.250 1.00 0.00 O ATOM 1490 CB ARG A 98 -10.875 -7.452 -3.401 1.00 0.00 C ATOM 1491 CG ARG A 98 -10.239 -7.409 -4.781 1.00 0.00 C ATOM 1492 CD ARG A 98 -10.937 -6.404 -5.685 1.00 0.00 C ATOM 1493 NE ARG A 98 -10.652 -6.647 -7.096 1.00 0.00 N ATOM 1494 CZ ARG A 98 -11.239 -5.988 -8.089 1.00 0.00 C ATOM 1495 NH1 ARG A 98 -12.137 -5.049 -7.825 1.00 0.00 N ATOM 1496 NH2 ARG A 98 -10.927 -6.267 -9.348 1.00 0.00 N ATOM 0 H ARG A 98 -12.069 -9.689 -2.502 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.275 -8.747 -2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.949 -7.601 -3.510 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.735 -6.486 -2.915 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.185 -7.147 -4.689 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.283 -8.399 -5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.013 -6.453 -5.519 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.619 -5.396 -5.419 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.964 -7.362 -7.332 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -12.378 -4.831 -6.858 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.587 -4.544 -8.589 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.236 -6.988 -9.554 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.378 -5.760 -10.110 1.00 0.00 H new ATOM 1510 N SER A 99 -9.429 -7.179 -0.702 1.00 0.00 N ATOM 1511 CA SER A 99 -9.344 -6.660 0.659 1.00 0.00 C ATOM 1512 C SER A 99 -9.828 -5.215 0.720 1.00 0.00 C ATOM 1513 O SER A 99 -9.889 -4.510 -0.287 1.00 0.00 O ATOM 1514 CB SER A 99 -7.906 -6.751 1.172 1.00 0.00 C ATOM 1515 OG SER A 99 -7.666 -7.998 1.801 1.00 0.00 O ATOM 0 H SER A 99 -8.745 -6.784 -1.348 1.00 0.00 H new ATOM 0 HA SER A 99 -9.988 -7.267 1.295 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.212 -6.619 0.342 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.717 -5.942 1.878 1.00 0.00 H new ATOM 0 HG SER A 99 -8.446 -8.249 2.338 1.00 0.00 H new ATOM 1521 N PRO A 100 -10.181 -4.761 1.932 1.00 0.00 N ATOM 1522 CA PRO A 100 -10.666 -3.396 2.156 1.00 0.00 C ATOM 1523 C PRO A 100 -9.567 -2.354 1.979 1.00 0.00 C ATOM 1524 O PRO A 100 -8.420 -2.572 2.372 1.00 0.00 O ATOM 1525 CB PRO A 100 -11.147 -3.424 3.609 1.00 0.00 C ATOM 1526 CG PRO A 100 -10.358 -4.514 4.248 1.00 0.00 C ATOM 1527 CD PRO A 100 -10.134 -5.546 3.177 1.00 0.00 C ATOM 0 HA PRO A 100 -11.440 -3.117 1.442 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.973 -2.468 4.102 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.217 -3.623 3.668 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.410 -4.137 4.631 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -10.896 -4.941 5.094 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.175 -6.050 3.299 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -10.904 -6.317 3.195 1.00 0.00 H new ATOM 1535 N THR A 101 -9.923 -1.220 1.384 1.00 0.00 N ATOM 1536 CA THR A 101 -8.967 -0.144 1.154 1.00 0.00 C ATOM 1537 C THR A 101 -8.490 0.459 2.470 1.00 0.00 C ATOM 1538 O THR A 101 -9.295 0.922 3.278 1.00 0.00 O ATOM 1539 CB THR A 101 -9.575 0.971 0.282 1.00 0.00 C ATOM 1540 OG1 THR A 101 -10.898 1.280 0.734 1.00 0.00 O ATOM 1541 CG2 THR A 101 -9.617 0.552 -1.180 1.00 0.00 C ATOM 0 H THR A 101 -10.867 -1.023 1.052 1.00 0.00 H new ATOM 0 HA THR A 101 -8.118 -0.583 0.630 1.00 0.00 H new ATOM 0 HB THR A 101 -8.946 1.856 0.372 1.00 0.00 H new ATOM 0 HG1 THR A 101 -10.939 1.194 1.709 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.050 1.355 -1.776 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.605 0.346 -1.529 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.226 -0.346 -1.284 1.00 0.00 H new ATOM 1549 N GLN A 102 -7.178 0.451 2.679 1.00 0.00 N ATOM 1550 CA GLN A 102 -6.595 0.998 3.899 1.00 0.00 C ATOM 1551 C GLN A 102 -6.214 2.462 3.711 1.00 0.00 C ATOM 1552 O GLN A 102 -5.755 2.862 2.641 1.00 0.00 O ATOM 1553 CB GLN A 102 -5.364 0.187 4.309 1.00 0.00 C ATOM 1554 CG GLN A 102 -5.673 -1.265 4.634 1.00 0.00 C ATOM 1555 CD GLN A 102 -6.932 -1.422 5.465 1.00 0.00 C ATOM 1556 OE1 GLN A 102 -7.194 -0.631 6.371 1.00 0.00 O ATOM 1557 NE2 GLN A 102 -7.719 -2.447 5.159 1.00 0.00 N ATOM 0 H GLN A 102 -6.498 0.072 2.020 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.343 0.935 4.689 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.631 0.222 3.503 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -4.904 0.655 5.179 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -5.783 -1.826 3.706 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.831 -1.700 5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -7.463 -3.078 4.400 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -8.580 -2.603 5.683 1.00 0.00 H new ATOM 1566 N SER A 103 -6.409 3.258 4.757 1.00 0.00 N ATOM 1567 CA SER A 103 -6.090 4.680 4.706 1.00 0.00 C ATOM 1568 C SER A 103 -4.620 4.919 5.036 1.00 0.00 C ATOM 1569 O SER A 103 -4.127 4.485 6.077 1.00 0.00 O ATOM 1570 CB SER A 103 -6.976 5.459 5.681 1.00 0.00 C ATOM 1571 OG SER A 103 -6.640 5.161 7.025 1.00 0.00 O ATOM 0 H SER A 103 -6.786 2.942 5.650 1.00 0.00 H new ATOM 0 HA SER A 103 -6.279 5.033 3.692 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.864 6.529 5.504 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.023 5.214 5.502 1.00 0.00 H new ATOM 0 HG SER A 103 -6.030 4.395 7.047 1.00 0.00 H new ATOM 1577 N PHE A 104 -3.924 5.613 4.141 1.00 0.00 N ATOM 1578 CA PHE A 104 -2.510 5.910 4.335 1.00 0.00 C ATOM 1579 C PHE A 104 -2.196 7.348 3.933 1.00 0.00 C ATOM 1580 O PHE A 104 -2.687 7.842 2.918 1.00 0.00 O ATOM 1581 CB PHE A 104 -1.648 4.942 3.522 1.00 0.00 C ATOM 1582 CG PHE A 104 -0.258 4.773 4.067 1.00 0.00 C ATOM 1583 CD1 PHE A 104 0.707 5.743 3.852 1.00 0.00 C ATOM 1584 CD2 PHE A 104 0.082 3.645 4.795 1.00 0.00 C ATOM 1585 CE1 PHE A 104 1.986 5.592 4.353 1.00 0.00 C ATOM 1586 CE2 PHE A 104 1.359 3.488 5.299 1.00 0.00 C ATOM 1587 CZ PHE A 104 2.313 4.462 5.076 1.00 0.00 C ATOM 0 H PHE A 104 -4.317 5.980 3.274 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.281 5.789 5.394 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.138 3.969 3.492 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.586 5.299 2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.457 6.628 3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.659 2.879 4.971 1.00 0.00 H new ATOM 0 HE1 PHE A 104 2.729 6.357 4.179 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.611 2.605 5.867 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.313 4.340 5.466 1.00 0.00 H new ATOM 1597 N ARG A 105 -1.375 8.015 4.738 1.00 0.00 N ATOM 1598 CA ARG A 105 -0.996 9.397 4.469 1.00 0.00 C ATOM 1599 C ARG A 105 0.506 9.512 4.226 1.00 0.00 C ATOM 1600 O ARG A 105 1.307 8.889 4.924 1.00 0.00 O ATOM 1601 CB ARG A 105 -1.406 10.297 5.636 1.00 0.00 C ATOM 1602 CG ARG A 105 -2.774 10.936 5.462 1.00 0.00 C ATOM 1603 CD ARG A 105 -2.918 12.186 6.315 1.00 0.00 C ATOM 1604 NE ARG A 105 -4.308 12.622 6.417 1.00 0.00 N ATOM 1605 CZ ARG A 105 -4.700 13.663 7.143 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -3.812 14.372 7.826 1.00 0.00 N ATOM 1607 NH2 ARG A 105 -5.983 13.998 7.185 1.00 0.00 N ATOM 0 H ARG A 105 -0.960 7.621 5.582 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.517 9.722 3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -1.403 9.710 6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -0.660 11.083 5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -2.927 11.190 4.413 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -3.549 10.219 5.732 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -2.525 11.991 7.313 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.317 12.988 5.887 1.00 0.00 H new ATOM 0 HE ARG A 105 -5.016 12.099 5.903 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.824 14.119 7.795 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -4.116 15.171 8.382 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -6.669 13.456 6.660 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -6.283 14.797 7.743 1.00 0.00 H new ATOM 1621 N PHE A 106 0.880 10.311 3.233 1.00 0.00 N ATOM 1622 CA PHE A 106 2.286 10.507 2.897 1.00 0.00 C ATOM 1623 C PHE A 106 2.752 11.903 3.300 1.00 0.00 C ATOM 1624 O PHE A 106 2.213 12.908 2.836 1.00 0.00 O ATOM 1625 CB PHE A 106 2.508 10.295 1.398 1.00 0.00 C ATOM 1626 CG PHE A 106 2.108 8.929 0.920 1.00 0.00 C ATOM 1627 CD1 PHE A 106 2.323 7.813 1.712 1.00 0.00 C ATOM 1628 CD2 PHE A 106 1.517 8.761 -0.322 1.00 0.00 C ATOM 1629 CE1 PHE A 106 1.956 6.554 1.275 1.00 0.00 C ATOM 1630 CE2 PHE A 106 1.148 7.505 -0.764 1.00 0.00 C ATOM 1631 CZ PHE A 106 1.368 6.400 0.034 1.00 0.00 C ATOM 0 H PHE A 106 0.229 10.834 2.646 1.00 0.00 H new ATOM 0 HA PHE A 106 2.872 9.774 3.451 1.00 0.00 H new ATOM 0 HB2 PHE A 106 1.942 11.045 0.845 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.561 10.458 1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 106 2.783 7.928 2.682 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.343 9.621 -0.951 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.129 5.692 1.902 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.687 7.388 -1.734 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.081 5.418 -0.311 1.00 0.00 H new ATOM 1641 N LEU A 107 3.756 11.957 4.168 1.00 0.00 N ATOM 1642 CA LEU A 107 4.296 13.229 4.635 1.00 0.00 C ATOM 1643 C LEU A 107 5.471 13.673 3.769 1.00 0.00 C ATOM 1644 O LEU A 107 6.299 12.867 3.342 1.00 0.00 O ATOM 1645 CB LEU A 107 4.739 13.112 6.094 1.00 0.00 C ATOM 1646 CG LEU A 107 3.864 12.239 6.994 1.00 0.00 C ATOM 1647 CD1 LEU A 107 4.556 11.979 8.323 1.00 0.00 C ATOM 1648 CD2 LEU A 107 2.508 12.893 7.216 1.00 0.00 C ATOM 0 H LEU A 107 4.213 11.135 4.563 1.00 0.00 H new ATOM 0 HA LEU A 107 3.509 13.979 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.754 12.716 6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.779 14.114 6.522 1.00 0.00 H new ATOM 0 HG LEU A 107 3.707 11.282 6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.918 11.356 8.950 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.502 11.467 8.147 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.745 12.927 8.827 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.899 12.258 7.859 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.646 13.864 7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.007 13.026 6.257 1.00 0.00 H new ATOM 1660 N PRO A 108 5.548 14.985 3.504 1.00 0.00 N ATOM 1661 CA PRO A 108 6.619 15.567 2.689 1.00 0.00 C ATOM 1662 C PRO A 108 7.970 15.530 3.396 1.00 0.00 C ATOM 1663 O PRO A 108 8.074 15.863 4.576 1.00 0.00 O ATOM 1664 CB PRO A 108 6.163 17.013 2.483 1.00 0.00 C ATOM 1665 CG PRO A 108 5.279 17.301 3.647 1.00 0.00 C ATOM 1666 CD PRO A 108 4.597 16.003 3.980 1.00 0.00 C ATOM 0 HA PRO A 108 6.769 15.017 1.760 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.012 17.695 2.453 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.627 17.129 1.541 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.858 17.667 4.495 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.550 18.073 3.402 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.411 15.910 5.050 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.632 15.916 3.480 1.00 0.00 H new ATOM 1674 N VAL A 109 9.004 15.123 2.666 1.00 0.00 N ATOM 1675 CA VAL A 109 10.349 15.044 3.222 1.00 0.00 C ATOM 1676 C VAL A 109 11.053 16.395 3.152 1.00 0.00 C ATOM 1677 O VAL A 109 11.908 16.705 3.982 1.00 0.00 O ATOM 1678 CB VAL A 109 11.201 13.994 2.485 1.00 0.00 C ATOM 1679 CG1 VAL A 109 12.541 13.809 3.181 1.00 0.00 C ATOM 1680 CG2 VAL A 109 10.453 12.673 2.390 1.00 0.00 C ATOM 0 H VAL A 109 8.935 14.843 1.688 1.00 0.00 H new ATOM 0 HA VAL A 109 10.243 14.747 4.265 1.00 0.00 H new ATOM 0 HB VAL A 109 11.391 14.351 1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 109 13.129 13.063 2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 109 13.079 14.757 3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.376 13.474 4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.070 11.943 1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.231 12.308 3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.522 12.821 1.843 1.00 0.00 H new