USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 622 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 23 CYS SG : rot 175:sc= -0.83 USER MOD Set 1.2: A 26 CYS SG : rot -65:sc= 0.14 USER MOD Set 1.3: A 28 SER OG : rot 80:sc= 1.05 USER MOD Set 1.4: A 54 ASN : amide:sc= -8.75! C(o=-14!,f=-18!) USER MOD Set 1.5: A 55 HIS : no HE2:sc= -4.07! C(o=-14!,f=-16!) USER MOD Set 1.6: A 58 CYS SG : rot -70:sc= -1.18 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 59:sc= 0.318 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0212 USER MOD Single : A 21 SER OG : rot -124:sc= 0.0365 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.559 X(o=-0.56,f=-0.18) USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= 0.0899 (180deg=0.00774) USER MOD Single : A 34 ASN : amide:sc= 0.0945 K(o=0.095,f=-0.48) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= -0.025 (180deg=-0.025) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -123:sc= -0.011 (180deg=-0.569) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.834 K(o=-0.83,f=0.0065) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.476 K(o=-0.48,f=-1.8) USER MOD Single : A 84 GLN : amide:sc= -4.18! C(o=-4.2!,f=-3.4!) USER MOD Single : A 85 LYS NZ :NH3+ 178:sc= 0.00512 (180deg=0.00501) USER MOD Single : A 88 LYS NZ :NH3+ 161:sc= -0.317 (180deg=-0.96) USER MOD Single : A 89 TYR OH : rot 2:sc= 0.279 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 9 9.450 11.317 3.949 1.00 0.00 N ATOM 84 CA LYS A 9 9.688 10.436 2.811 1.00 0.00 C ATOM 85 C LYS A 9 8.666 10.685 1.707 1.00 0.00 C ATOM 86 O LYS A 9 7.536 11.105 1.957 1.00 0.00 O ATOM 87 CB LYS A 9 9.632 8.972 3.253 1.00 0.00 C ATOM 88 CG LYS A 9 10.902 8.494 3.936 1.00 0.00 C ATOM 89 CD LYS A 9 10.769 8.530 5.449 1.00 0.00 C ATOM 90 CE LYS A 9 12.106 8.805 6.120 1.00 0.00 C ATOM 91 NZ LYS A 9 12.857 7.549 6.396 1.00 0.00 N ATOM 0 HA LYS A 9 10.681 10.652 2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.791 8.839 3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.440 8.345 2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.129 7.478 3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.739 9.120 3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.052 9.300 5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.372 7.579 5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.706 9.454 5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.940 9.342 7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.762 7.779 6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.296 6.940 7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.038 7.049 5.502 1.00 0.00 H new ATOM 105 N PRO A 10 9.069 10.418 0.456 1.00 0.00 N ATOM 106 CA PRO A 10 8.202 10.603 -0.711 1.00 0.00 C ATOM 107 C PRO A 10 7.065 9.587 -0.756 1.00 0.00 C ATOM 108 O PRO A 10 5.960 9.898 -1.201 1.00 0.00 O ATOM 109 CB PRO A 10 9.150 10.396 -1.895 1.00 0.00 C ATOM 110 CG PRO A 10 10.239 9.531 -1.361 1.00 0.00 C ATOM 111 CD PRO A 10 10.402 9.914 0.084 1.00 0.00 C ATOM 0 HA PRO A 10 7.713 11.577 -0.704 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.640 9.919 -2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.541 11.346 -2.260 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.983 8.476 -1.458 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.166 9.686 -1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.694 9.060 0.696 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.170 10.676 0.213 1.00 0.00 H new ATOM 119 N TRP A 11 7.343 8.375 -0.292 1.00 0.00 N ATOM 120 CA TRP A 11 6.343 7.313 -0.279 1.00 0.00 C ATOM 121 C TRP A 11 6.002 6.904 1.149 1.00 0.00 C ATOM 122 O TRP A 11 6.816 7.061 2.060 1.00 0.00 O ATOM 123 CB TRP A 11 6.846 6.101 -1.064 1.00 0.00 C ATOM 124 CG TRP A 11 7.038 6.376 -2.525 1.00 0.00 C ATOM 125 CD1 TRP A 11 8.161 6.870 -3.125 1.00 0.00 C ATOM 126 CD2 TRP A 11 6.078 6.176 -3.568 1.00 0.00 C ATOM 127 NE1 TRP A 11 7.956 6.989 -4.479 1.00 0.00 N ATOM 128 CE2 TRP A 11 6.687 6.569 -4.776 1.00 0.00 C ATOM 129 CE3 TRP A 11 4.764 5.701 -3.600 1.00 0.00 C ATOM 130 CZ2 TRP A 11 6.025 6.501 -5.999 1.00 0.00 C ATOM 131 CZ3 TRP A 11 4.108 5.635 -4.815 1.00 0.00 C ATOM 132 CH2 TRP A 11 4.740 6.033 -6.001 1.00 0.00 C ATOM 0 H TRP A 11 8.253 8.102 0.080 1.00 0.00 H new ATOM 0 HA TRP A 11 5.439 7.694 -0.753 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.792 5.768 -0.637 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.137 5.281 -0.946 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.075 7.129 -2.611 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.639 7.334 -5.153 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.270 5.391 -2.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.510 6.807 -6.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.092 5.271 -4.851 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.202 5.969 -6.935 1.00 0.00 H new ATOM 143 N ARG A 12 4.796 6.378 1.338 1.00 0.00 N ATOM 144 CA ARG A 12 4.349 5.947 2.657 1.00 0.00 C ATOM 145 C ARG A 12 3.940 4.477 2.639 1.00 0.00 C ATOM 146 O ARG A 12 3.426 3.978 1.638 1.00 0.00 O ATOM 147 CB ARG A 12 3.175 6.808 3.127 1.00 0.00 C ATOM 148 CG ARG A 12 1.851 6.441 2.476 1.00 0.00 C ATOM 149 CD ARG A 12 0.766 7.452 2.811 1.00 0.00 C ATOM 150 NE ARG A 12 0.464 7.478 4.240 1.00 0.00 N ATOM 151 CZ ARG A 12 -0.076 8.521 4.858 1.00 0.00 C ATOM 152 NH1 ARG A 12 -0.374 9.619 4.177 1.00 0.00 N ATOM 153 NH2 ARG A 12 -0.321 8.468 6.161 1.00 0.00 N ATOM 0 H ARG A 12 4.111 6.240 0.595 1.00 0.00 H new ATOM 0 HA ARG A 12 5.180 6.067 3.352 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.077 6.714 4.208 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.396 7.854 2.917 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.979 6.387 1.395 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.542 5.450 2.810 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.083 8.444 2.489 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.139 7.211 2.254 1.00 0.00 H new ATOM 0 HE ARG A 12 0.680 6.649 4.793 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.188 9.664 3.175 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.789 10.419 4.655 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.094 7.625 6.689 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.736 9.270 6.635 1.00 0.00 H new ATOM 167 N ALA A 13 4.173 3.790 3.752 1.00 0.00 N ATOM 168 CA ALA A 13 3.828 2.378 3.865 1.00 0.00 C ATOM 169 C ALA A 13 3.071 2.100 5.159 1.00 0.00 C ATOM 170 O ALA A 13 3.570 2.373 6.251 1.00 0.00 O ATOM 171 CB ALA A 13 5.083 1.521 3.790 1.00 0.00 C ATOM 0 H ALA A 13 4.599 4.188 4.589 1.00 0.00 H new ATOM 0 HA ALA A 13 3.175 2.120 3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.811 0.469 3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.583 1.690 2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.756 1.789 4.604 1.00 0.00 H new ATOM 177 N GLU A 14 1.866 1.555 5.029 1.00 0.00 N ATOM 178 CA GLU A 14 1.041 1.241 6.190 1.00 0.00 C ATOM 179 C GLU A 14 -0.204 0.461 5.777 1.00 0.00 C ATOM 180 O GLU A 14 -0.693 0.598 4.656 1.00 0.00 O ATOM 181 CB GLU A 14 0.634 2.525 6.916 1.00 0.00 C ATOM 182 CG GLU A 14 -0.064 3.536 6.021 1.00 0.00 C ATOM 183 CD GLU A 14 -0.140 4.915 6.647 1.00 0.00 C ATOM 184 OE1 GLU A 14 0.827 5.311 7.331 1.00 0.00 O ATOM 185 OE2 GLU A 14 -1.167 5.598 6.453 1.00 0.00 O ATOM 0 H GLU A 14 1.439 1.322 4.132 1.00 0.00 H new ATOM 0 HA GLU A 14 1.630 0.621 6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.026 2.270 7.745 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.523 2.986 7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.466 3.601 5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.072 3.185 5.800 1.00 0.00 H new ATOM 192 N TYR A 15 -0.711 -0.359 6.692 1.00 0.00 N ATOM 193 CA TYR A 15 -1.896 -1.164 6.423 1.00 0.00 C ATOM 194 C TYR A 15 -3.167 -0.339 6.602 1.00 0.00 C ATOM 195 O TYR A 15 -3.331 0.360 7.601 1.00 0.00 O ATOM 196 CB TYR A 15 -1.932 -2.382 7.348 1.00 0.00 C ATOM 197 CG TYR A 15 -0.916 -3.443 6.991 1.00 0.00 C ATOM 198 CD1 TYR A 15 -1.176 -4.373 5.991 1.00 0.00 C ATOM 199 CD2 TYR A 15 0.303 -3.518 7.653 1.00 0.00 C ATOM 200 CE1 TYR A 15 -0.251 -5.345 5.661 1.00 0.00 C ATOM 201 CE2 TYR A 15 1.234 -4.485 7.329 1.00 0.00 C ATOM 202 CZ TYR A 15 0.953 -5.397 6.333 1.00 0.00 C ATOM 203 OH TYR A 15 1.877 -6.363 6.008 1.00 0.00 O ATOM 0 H TYR A 15 -0.320 -0.483 7.626 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.846 -1.503 5.388 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.758 -2.055 8.373 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.929 -2.821 7.318 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.117 -4.335 5.463 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.527 -2.807 8.435 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.469 -6.060 4.882 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.178 -4.527 7.853 1.00 0.00 H new ATOM 0 HH TYR A 15 2.116 -6.282 5.061 1.00 0.00 H new ATOM 213 N ALA A 16 -4.064 -0.427 5.625 1.00 0.00 N ATOM 214 CA ALA A 16 -5.321 0.308 5.674 1.00 0.00 C ATOM 215 C ALA A 16 -6.128 -0.066 6.912 1.00 0.00 C ATOM 216 O ALA A 16 -6.062 -1.198 7.391 1.00 0.00 O ATOM 217 CB ALA A 16 -6.134 0.049 4.414 1.00 0.00 C ATOM 0 H ALA A 16 -3.943 -1.000 4.790 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.089 1.371 5.731 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.070 0.605 4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.566 0.373 3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.348 -1.017 4.332 1.00 0.00 H new ATOM 223 N LYS A 17 -6.890 0.893 7.428 1.00 0.00 N ATOM 224 CA LYS A 17 -7.711 0.664 8.612 1.00 0.00 C ATOM 225 C LYS A 17 -9.166 0.416 8.225 1.00 0.00 C ATOM 226 O LYS A 17 -9.848 -0.407 8.836 1.00 0.00 O ATOM 227 CB LYS A 17 -7.622 1.863 9.558 1.00 0.00 C ATOM 228 CG LYS A 17 -6.270 2.004 10.236 1.00 0.00 C ATOM 229 CD LYS A 17 -5.299 2.804 9.383 1.00 0.00 C ATOM 230 CE LYS A 17 -5.555 4.298 9.500 1.00 0.00 C ATOM 231 NZ LYS A 17 -4.468 5.098 8.871 1.00 0.00 N ATOM 0 H LYS A 17 -6.956 1.836 7.045 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.332 -0.222 9.121 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.835 2.774 8.998 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.394 1.771 10.322 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.396 2.493 11.202 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.855 1.015 10.431 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.277 2.584 9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.392 2.498 8.341 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.506 4.542 9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.644 4.570 10.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.680 6.111 8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.564 4.885 9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.400 4.858 7.862 1.00 0.00 H new ATOM 245 N SER A 18 -9.633 1.131 7.206 1.00 0.00 N ATOM 246 CA SER A 18 -11.007 0.989 6.740 1.00 0.00 C ATOM 247 C SER A 18 -11.055 0.863 5.220 1.00 0.00 C ATOM 248 O SER A 18 -10.129 1.278 4.523 1.00 0.00 O ATOM 249 CB SER A 18 -11.847 2.185 7.191 1.00 0.00 C ATOM 250 OG SER A 18 -11.370 3.389 6.615 1.00 0.00 O ATOM 0 H SER A 18 -9.080 1.814 6.688 1.00 0.00 H new ATOM 0 HA SER A 18 -11.420 0.079 7.176 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.888 2.030 6.907 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.821 2.263 8.278 1.00 0.00 H new ATOM 0 HG SER A 18 -11.924 4.138 6.917 1.00 0.00 H new ATOM 256 N SER A 19 -12.141 0.288 4.714 1.00 0.00 N ATOM 257 CA SER A 19 -12.309 0.104 3.277 1.00 0.00 C ATOM 258 C SER A 19 -12.924 1.346 2.638 1.00 0.00 C ATOM 259 O SER A 19 -13.721 1.247 1.705 1.00 0.00 O ATOM 260 CB SER A 19 -13.189 -1.116 2.998 1.00 0.00 C ATOM 261 OG SER A 19 -12.851 -2.195 3.852 1.00 0.00 O ATOM 0 H SER A 19 -12.918 -0.058 5.277 1.00 0.00 H new ATOM 0 HA SER A 19 -11.324 -0.059 2.839 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.237 -0.852 3.138 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.074 -1.421 1.958 1.00 0.00 H new ATOM 0 HG SER A 19 -13.429 -2.962 3.655 1.00 0.00 H new ATOM 267 N ARG A 20 -12.549 2.514 3.149 1.00 0.00 N ATOM 268 CA ARG A 20 -13.063 3.775 2.630 1.00 0.00 C ATOM 269 C ARG A 20 -12.167 4.312 1.519 1.00 0.00 C ATOM 270 O ARG A 20 -12.651 4.762 0.480 1.00 0.00 O ATOM 271 CB ARG A 20 -13.173 4.807 3.755 1.00 0.00 C ATOM 272 CG ARG A 20 -14.289 4.513 4.744 1.00 0.00 C ATOM 273 CD ARG A 20 -15.651 4.534 4.070 1.00 0.00 C ATOM 274 NE ARG A 20 -16.740 4.377 5.030 1.00 0.00 N ATOM 275 CZ ARG A 20 -17.269 5.386 5.714 1.00 0.00 C ATOM 276 NH1 ARG A 20 -16.811 6.619 5.543 1.00 0.00 N ATOM 277 NH2 ARG A 20 -18.258 5.163 6.570 1.00 0.00 N ATOM 0 H ARG A 20 -11.891 2.613 3.922 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.054 3.591 2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.225 4.849 4.292 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.336 5.792 3.318 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.123 3.538 5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.268 5.250 5.547 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.775 5.474 3.532 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.702 3.735 3.331 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.115 3.441 5.184 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.051 6.794 4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.219 7.392 6.069 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.613 4.216 6.704 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.663 5.938 7.094 1.00 0.00 H new ATOM 291 N SER A 21 -10.858 4.263 1.745 1.00 0.00 N ATOM 292 CA SER A 21 -9.894 4.748 0.765 1.00 0.00 C ATOM 293 C SER A 21 -9.938 3.903 -0.505 1.00 0.00 C ATOM 294 O SER A 21 -10.143 2.691 -0.451 1.00 0.00 O ATOM 295 CB SER A 21 -8.482 4.729 1.354 1.00 0.00 C ATOM 296 OG SER A 21 -8.207 5.929 2.057 1.00 0.00 O ATOM 0 H SER A 21 -10.441 3.892 2.599 1.00 0.00 H new ATOM 0 HA SER A 21 -10.160 5.774 0.508 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.376 3.878 2.026 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.753 4.597 0.555 1.00 0.00 H new ATOM 0 HG SER A 21 -7.401 6.347 1.688 1.00 0.00 H new ATOM 302 N SER A 22 -9.744 4.554 -1.648 1.00 0.00 N ATOM 303 CA SER A 22 -9.765 3.865 -2.933 1.00 0.00 C ATOM 304 C SER A 22 -8.507 4.178 -3.738 1.00 0.00 C ATOM 305 O SER A 22 -8.059 5.323 -3.791 1.00 0.00 O ATOM 306 CB SER A 22 -11.007 4.266 -3.730 1.00 0.00 C ATOM 307 OG SER A 22 -12.186 4.075 -2.967 1.00 0.00 O ATOM 0 H SER A 22 -9.571 5.557 -1.710 1.00 0.00 H new ATOM 0 HA SER A 22 -9.795 2.792 -2.742 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.929 5.311 -4.029 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.062 3.676 -4.645 1.00 0.00 H new ATOM 0 HG SER A 22 -12.966 4.340 -3.498 1.00 0.00 H new ATOM 313 N CYS A 23 -7.942 3.150 -4.364 1.00 0.00 N ATOM 314 CA CYS A 23 -6.736 3.313 -5.167 1.00 0.00 C ATOM 315 C CYS A 23 -6.964 4.316 -6.294 1.00 0.00 C ATOM 316 O CYS A 23 -8.099 4.560 -6.703 1.00 0.00 O ATOM 317 CB CYS A 23 -6.300 1.967 -5.748 1.00 0.00 C ATOM 318 SG CYS A 23 -4.839 2.063 -6.832 1.00 0.00 S ATOM 0 H CYS A 23 -8.300 2.196 -4.330 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.947 3.695 -4.519 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.086 1.282 -4.928 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.130 1.541 -6.312 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.488 0.865 -7.195 1.00 0.00 H new ATOM 323 N LYS A 24 -5.877 4.894 -6.792 1.00 0.00 N ATOM 324 CA LYS A 24 -5.955 5.870 -7.873 1.00 0.00 C ATOM 325 C LYS A 24 -5.492 5.259 -9.192 1.00 0.00 C ATOM 326 O LYS A 24 -5.999 5.604 -10.260 1.00 0.00 O ATOM 327 CB LYS A 24 -5.106 7.099 -7.542 1.00 0.00 C ATOM 328 CG LYS A 24 -3.718 7.063 -8.158 1.00 0.00 C ATOM 329 CD LYS A 24 -3.734 7.548 -9.598 1.00 0.00 C ATOM 330 CE LYS A 24 -3.456 9.041 -9.686 1.00 0.00 C ATOM 331 NZ LYS A 24 -2.775 9.404 -10.959 1.00 0.00 N ATOM 0 H LYS A 24 -4.930 4.704 -6.464 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.996 6.174 -7.979 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.625 7.993 -7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.012 7.184 -6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.042 7.685 -7.571 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.328 6.046 -8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.987 7.003 -10.175 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.704 7.330 -10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.394 9.590 -9.606 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.836 9.345 -8.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.603 10.429 -10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.868 8.899 -11.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.378 9.137 -11.763 1.00 0.00 H new ATOM 345 N THR A 25 -4.527 4.349 -9.111 1.00 0.00 N ATOM 346 CA THR A 25 -3.996 3.690 -10.297 1.00 0.00 C ATOM 347 C THR A 25 -5.060 2.833 -10.973 1.00 0.00 C ATOM 348 O THR A 25 -5.317 2.973 -12.169 1.00 0.00 O ATOM 349 CB THR A 25 -2.783 2.805 -9.953 1.00 0.00 C ATOM 350 OG1 THR A 25 -1.651 3.625 -9.642 1.00 0.00 O ATOM 351 CG2 THR A 25 -2.442 1.880 -11.112 1.00 0.00 C ATOM 0 H THR A 25 -4.097 4.051 -8.235 1.00 0.00 H new ATOM 0 HA THR A 25 -3.679 4.478 -10.981 1.00 0.00 H new ATOM 0 HB THR A 25 -3.040 2.196 -9.086 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.885 3.055 -9.423 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.582 1.265 -10.846 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.295 1.237 -11.328 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.204 2.474 -11.994 1.00 0.00 H new ATOM 359 N CYS A 26 -5.678 1.946 -10.200 1.00 0.00 N ATOM 360 CA CYS A 26 -6.715 1.066 -10.723 1.00 0.00 C ATOM 361 C CYS A 26 -8.103 1.640 -10.453 1.00 0.00 C ATOM 362 O CYS A 26 -9.092 1.211 -11.049 1.00 0.00 O ATOM 363 CB CYS A 26 -6.596 -0.325 -10.098 1.00 0.00 C ATOM 364 SG CYS A 26 -7.091 -0.398 -8.346 1.00 0.00 S ATOM 0 H CYS A 26 -5.478 1.818 -9.208 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.578 0.985 -11.801 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.211 -1.021 -10.668 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.564 -0.665 -10.187 1.00 0.00 H new ATOM 0 HG CYS A 26 -6.275 0.321 -7.634 1.00 0.00 H new ATOM 369 N LYS A 27 -8.169 2.613 -9.551 1.00 0.00 N ATOM 370 CA LYS A 27 -9.434 3.249 -9.201 1.00 0.00 C ATOM 371 C LYS A 27 -10.367 2.260 -8.510 1.00 0.00 C ATOM 372 O LYS A 27 -11.554 2.185 -8.829 1.00 0.00 O ATOM 373 CB LYS A 27 -10.108 3.812 -10.454 1.00 0.00 C ATOM 374 CG LYS A 27 -9.230 4.772 -11.238 1.00 0.00 C ATOM 375 CD LYS A 27 -8.946 6.040 -10.449 1.00 0.00 C ATOM 376 CE LYS A 27 -10.165 6.948 -10.397 1.00 0.00 C ATOM 377 NZ LYS A 27 -10.321 7.739 -11.650 1.00 0.00 N ATOM 0 H LYS A 27 -7.360 2.979 -9.048 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.223 4.066 -8.511 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.398 2.986 -11.103 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.024 4.326 -10.164 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.290 4.282 -11.492 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.719 5.029 -12.178 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.642 5.779 -9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.112 6.574 -10.904 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.059 6.347 -10.233 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.077 7.626 -9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.163 8.345 -11.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.479 8.332 -11.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.431 7.093 -12.457 1.00 0.00 H new ATOM 391 N SER A 28 -9.823 1.503 -7.562 1.00 0.00 N ATOM 392 CA SER A 28 -10.607 0.517 -6.827 1.00 0.00 C ATOM 393 C SER A 28 -10.591 0.816 -5.331 1.00 0.00 C ATOM 394 O SER A 28 -9.967 1.778 -4.885 1.00 0.00 O ATOM 395 CB SER A 28 -10.065 -0.890 -7.084 1.00 0.00 C ATOM 396 OG SER A 28 -9.846 -1.108 -8.467 1.00 0.00 O ATOM 0 H SER A 28 -8.843 1.554 -7.285 1.00 0.00 H new ATOM 0 HA SER A 28 -11.637 0.572 -7.179 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.131 -1.029 -6.539 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.769 -1.630 -6.703 1.00 0.00 H new ATOM 0 HG SER A 28 -8.997 -0.696 -8.733 1.00 0.00 H new ATOM 402 N VAL A 29 -11.283 -0.017 -4.561 1.00 0.00 N ATOM 403 CA VAL A 29 -11.349 0.155 -3.114 1.00 0.00 C ATOM 404 C VAL A 29 -10.225 -0.604 -2.419 1.00 0.00 C ATOM 405 O VAL A 29 -9.910 -1.738 -2.783 1.00 0.00 O ATOM 406 CB VAL A 29 -12.701 -0.323 -2.553 1.00 0.00 C ATOM 407 CG1 VAL A 29 -12.535 -0.848 -1.135 1.00 0.00 C ATOM 408 CG2 VAL A 29 -13.724 0.802 -2.597 1.00 0.00 C ATOM 0 H VAL A 29 -11.806 -0.818 -4.915 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.239 1.221 -2.916 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.065 -1.139 -3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.501 -1.181 -0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.837 -1.685 -1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.148 -0.054 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.673 0.446 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.369 1.640 -1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.864 1.127 -3.628 1.00 0.00 H new ATOM 418 N ILE A 30 -9.624 0.027 -1.416 1.00 0.00 N ATOM 419 CA ILE A 30 -8.536 -0.590 -0.668 1.00 0.00 C ATOM 420 C ILE A 30 -9.008 -1.057 0.705 1.00 0.00 C ATOM 421 O ILE A 30 -8.935 -0.315 1.683 1.00 0.00 O ATOM 422 CB ILE A 30 -7.354 0.381 -0.489 1.00 0.00 C ATOM 423 CG1 ILE A 30 -6.823 0.829 -1.852 1.00 0.00 C ATOM 424 CG2 ILE A 30 -6.249 -0.274 0.326 1.00 0.00 C ATOM 425 CD1 ILE A 30 -5.959 2.069 -1.786 1.00 0.00 C ATOM 0 H ILE A 30 -9.872 0.965 -1.103 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.204 -1.451 -1.248 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.704 1.261 0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.245 0.017 -2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.666 1.018 -2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.421 0.425 0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.635 -0.548 1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.899 -1.169 -0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.618 2.329 -2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.539 2.895 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.097 1.878 -1.147 1.00 0.00 H new ATOM 437 N ASN A 31 -9.491 -2.294 0.770 1.00 0.00 N ATOM 438 CA ASN A 31 -9.974 -2.861 2.023 1.00 0.00 C ATOM 439 C ASN A 31 -8.888 -2.818 3.094 1.00 0.00 C ATOM 440 O ASN A 31 -7.703 -2.977 2.799 1.00 0.00 O ATOM 441 CB ASN A 31 -10.438 -4.303 1.809 1.00 0.00 C ATOM 442 CG ASN A 31 -11.230 -4.471 0.527 1.00 0.00 C ATOM 443 OD1 ASN A 31 -10.830 -5.212 -0.370 1.00 0.00 O ATOM 444 ND2 ASN A 31 -12.361 -3.781 0.435 1.00 0.00 N ATOM 0 H ASN A 31 -9.558 -2.922 -0.031 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.818 -2.261 2.363 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.570 -4.961 1.785 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -11.051 -4.614 2.655 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.936 -3.854 -0.404 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.655 -3.178 1.204 1.00 0.00 H new ATOM 451 N LYS A 32 -9.300 -2.603 4.339 1.00 0.00 N ATOM 452 CA LYS A 32 -8.364 -2.541 5.455 1.00 0.00 C ATOM 453 C LYS A 32 -7.582 -3.844 5.582 1.00 0.00 C ATOM 454 O LYS A 32 -7.976 -4.871 5.031 1.00 0.00 O ATOM 455 CB LYS A 32 -9.113 -2.254 6.759 1.00 0.00 C ATOM 456 CG LYS A 32 -9.742 -3.487 7.383 1.00 0.00 C ATOM 457 CD LYS A 32 -11.102 -3.174 7.985 1.00 0.00 C ATOM 458 CE LYS A 32 -10.997 -2.876 9.473 1.00 0.00 C ATOM 459 NZ LYS A 32 -12.082 -1.966 9.934 1.00 0.00 N ATOM 0 H LYS A 32 -10.277 -2.469 4.600 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.659 -1.732 5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.422 -1.807 7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.893 -1.517 6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.848 -4.265 6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.083 -3.881 8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.540 -2.318 7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.774 -4.018 7.828 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.043 -3.809 10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.028 -2.423 9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.261 -2.124 10.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.794 -0.978 9.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.950 -2.160 9.395 1.00 0.00 H new ATOM 473 N GLU A 33 -6.472 -3.794 6.313 1.00 0.00 N ATOM 474 CA GLU A 33 -5.636 -4.971 6.512 1.00 0.00 C ATOM 475 C GLU A 33 -4.894 -5.335 5.229 1.00 0.00 C ATOM 476 O GLU A 33 -4.585 -6.501 4.987 1.00 0.00 O ATOM 477 CB GLU A 33 -6.486 -6.156 6.975 1.00 0.00 C ATOM 478 CG GLU A 33 -7.575 -5.774 7.964 1.00 0.00 C ATOM 479 CD GLU A 33 -7.846 -6.864 8.983 1.00 0.00 C ATOM 480 OE1 GLU A 33 -7.963 -8.039 8.578 1.00 0.00 O ATOM 481 OE2 GLU A 33 -7.942 -6.540 10.185 1.00 0.00 O ATOM 0 H GLU A 33 -6.132 -2.951 6.776 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.902 -4.736 7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.945 -6.625 6.105 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.836 -6.902 7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.285 -4.860 8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.494 -5.554 7.420 1.00 0.00 H new ATOM 488 N ASN A 34 -4.613 -4.327 4.409 1.00 0.00 N ATOM 489 CA ASN A 34 -3.909 -4.540 3.150 1.00 0.00 C ATOM 490 C ASN A 34 -2.729 -3.582 3.018 1.00 0.00 C ATOM 491 O ASN A 34 -2.825 -2.408 3.378 1.00 0.00 O ATOM 492 CB ASN A 34 -4.864 -4.356 1.969 1.00 0.00 C ATOM 493 CG ASN A 34 -5.557 -5.647 1.579 1.00 0.00 C ATOM 494 OD1 ASN A 34 -4.924 -6.698 1.476 1.00 0.00 O ATOM 495 ND2 ASN A 34 -6.865 -5.574 1.359 1.00 0.00 N ATOM 0 H ASN A 34 -4.862 -3.355 4.594 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.528 -5.561 3.144 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.614 -3.607 2.225 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.309 -3.972 1.113 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.385 -6.410 1.093 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.349 -4.682 1.456 1.00 0.00 H new ATOM 502 N PHE A 35 -1.616 -4.090 2.498 1.00 0.00 N ATOM 503 CA PHE A 35 -0.417 -3.280 2.319 1.00 0.00 C ATOM 504 C PHE A 35 -0.540 -2.393 1.083 1.00 0.00 C ATOM 505 O PHE A 35 -0.508 -2.878 -0.048 1.00 0.00 O ATOM 506 CB PHE A 35 0.817 -4.178 2.196 1.00 0.00 C ATOM 507 CG PHE A 35 1.989 -3.499 1.547 1.00 0.00 C ATOM 508 CD1 PHE A 35 2.200 -2.140 1.715 1.00 0.00 C ATOM 509 CD2 PHE A 35 2.880 -4.221 0.768 1.00 0.00 C ATOM 510 CE1 PHE A 35 3.279 -1.513 1.120 1.00 0.00 C ATOM 511 CE2 PHE A 35 3.960 -3.599 0.171 1.00 0.00 C ATOM 512 CZ PHE A 35 4.159 -2.243 0.346 1.00 0.00 C ATOM 0 H PHE A 35 -1.520 -5.059 2.193 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.306 -2.640 3.194 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.109 -4.519 3.189 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.555 -5.065 1.619 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.514 -1.564 2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.728 -5.281 0.626 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.433 -0.453 1.260 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.648 -4.173 -0.432 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.001 -1.755 -0.122 1.00 0.00 H new ATOM 522 N ARG A 36 -0.680 -1.091 1.309 1.00 0.00 N ATOM 523 CA ARG A 36 -0.810 -0.136 0.215 1.00 0.00 C ATOM 524 C ARG A 36 0.346 0.860 0.223 1.00 0.00 C ATOM 525 O ARG A 36 1.207 0.821 1.103 1.00 0.00 O ATOM 526 CB ARG A 36 -2.141 0.611 0.317 1.00 0.00 C ATOM 527 CG ARG A 36 -2.365 1.275 1.665 1.00 0.00 C ATOM 528 CD ARG A 36 -3.582 2.186 1.642 1.00 0.00 C ATOM 529 NE ARG A 36 -3.643 3.049 2.819 1.00 0.00 N ATOM 530 CZ ARG A 36 -4.767 3.588 3.278 1.00 0.00 C ATOM 531 NH1 ARG A 36 -5.918 3.355 2.661 1.00 0.00 N ATOM 532 NH2 ARG A 36 -4.742 4.362 4.355 1.00 0.00 N ATOM 0 H ARG A 36 -0.706 -0.673 2.239 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.783 -0.690 -0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.182 1.370 -0.464 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.956 -0.088 0.126 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.496 0.511 2.431 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.482 1.853 1.939 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.557 2.801 0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.487 1.581 1.589 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.775 3.249 3.316 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.941 2.761 1.832 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.780 3.770 3.015 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.859 4.544 4.832 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.606 4.775 4.706 1.00 0.00 H new ATOM 546 N LEU A 37 0.359 1.751 -0.762 1.00 0.00 N ATOM 547 CA LEU A 37 1.410 2.758 -0.869 1.00 0.00 C ATOM 548 C LEU A 37 0.819 4.131 -1.171 1.00 0.00 C ATOM 549 O LEU A 37 -0.081 4.263 -1.999 1.00 0.00 O ATOM 550 CB LEU A 37 2.407 2.368 -1.961 1.00 0.00 C ATOM 551 CG LEU A 37 3.299 1.164 -1.657 1.00 0.00 C ATOM 552 CD1 LEU A 37 4.038 0.717 -2.909 1.00 0.00 C ATOM 553 CD2 LEU A 37 4.282 1.496 -0.544 1.00 0.00 C ATOM 0 H LEU A 37 -0.346 1.797 -1.498 1.00 0.00 H new ATOM 0 HA LEU A 37 1.930 2.809 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.851 2.161 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.047 3.227 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 37 2.666 0.342 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.668 -0.141 -2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.317 0.437 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.660 1.534 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.909 0.628 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.910 2.333 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.733 1.766 0.358 1.00 0.00 H new ATOM 565 N GLY A 38 1.333 5.153 -0.493 1.00 0.00 N ATOM 566 CA GLY A 38 0.846 6.504 -0.704 1.00 0.00 C ATOM 567 C GLY A 38 1.943 7.454 -1.140 1.00 0.00 C ATOM 568 O GLY A 38 2.913 7.671 -0.414 1.00 0.00 O ATOM 0 H GLY A 38 2.078 5.069 0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.060 6.490 -1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.395 6.873 0.218 1.00 0.00 H new ATOM 572 N LYS A 39 1.791 8.023 -2.331 1.00 0.00 N ATOM 573 CA LYS A 39 2.777 8.956 -2.865 1.00 0.00 C ATOM 574 C LYS A 39 2.549 10.361 -2.317 1.00 0.00 C ATOM 575 O LYS A 39 1.615 11.053 -2.725 1.00 0.00 O ATOM 576 CB LYS A 39 2.714 8.977 -4.394 1.00 0.00 C ATOM 577 CG LYS A 39 3.836 9.772 -5.039 1.00 0.00 C ATOM 578 CD LYS A 39 4.118 9.293 -6.453 1.00 0.00 C ATOM 579 CE LYS A 39 5.517 9.681 -6.904 1.00 0.00 C ATOM 580 NZ LYS A 39 5.539 11.021 -7.555 1.00 0.00 N ATOM 0 H LYS A 39 0.994 7.855 -2.945 1.00 0.00 H new ATOM 0 HA LYS A 39 3.766 8.619 -2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.747 7.952 -4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.757 9.398 -4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.570 10.829 -5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.740 9.682 -4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.007 8.210 -6.500 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.383 9.719 -7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.188 9.684 -6.045 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.895 8.933 -7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.511 11.249 -7.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.919 11.012 -8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.203 11.739 -6.882 1.00 0.00 H new ATOM 594 N LEU A 40 3.408 10.777 -1.393 1.00 0.00 N ATOM 595 CA LEU A 40 3.301 12.101 -0.790 1.00 0.00 C ATOM 596 C LEU A 40 3.792 13.179 -1.752 1.00 0.00 C ATOM 597 O LEU A 40 4.976 13.234 -2.087 1.00 0.00 O ATOM 598 CB LEU A 40 4.104 12.157 0.510 1.00 0.00 C ATOM 599 CG LEU A 40 3.720 11.135 1.581 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.694 11.193 2.747 1.00 0.00 C ATOM 601 CD2 LEU A 40 2.296 11.375 2.061 1.00 0.00 C ATOM 0 H LEU A 40 4.186 10.217 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 40 2.250 12.289 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.158 12.022 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.000 13.155 0.935 1.00 0.00 H new ATOM 0 HG LEU A 40 3.771 10.139 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.405 10.459 3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.700 10.972 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.676 12.190 3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.040 10.639 2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.219 12.377 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.608 11.282 1.221 1.00 0.00 H new ATOM 613 N VAL A 41 2.876 14.035 -2.191 1.00 0.00 N ATOM 614 CA VAL A 41 3.216 15.113 -3.112 1.00 0.00 C ATOM 615 C VAL A 41 2.881 16.474 -2.512 1.00 0.00 C ATOM 616 O VAL A 41 1.923 16.609 -1.751 1.00 0.00 O ATOM 617 CB VAL A 41 2.476 14.960 -4.454 1.00 0.00 C ATOM 618 CG1 VAL A 41 2.930 13.699 -5.173 1.00 0.00 C ATOM 619 CG2 VAL A 41 0.971 14.947 -4.234 1.00 0.00 C ATOM 0 H VAL A 41 1.892 14.003 -1.924 1.00 0.00 H new ATOM 0 HA VAL A 41 4.290 15.051 -3.289 1.00 0.00 H new ATOM 0 HB VAL A 41 2.720 15.816 -5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.396 13.608 -6.119 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.002 13.755 -5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.718 12.829 -4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.464 14.838 -5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.705 14.112 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.664 15.882 -3.765 1.00 0.00 H new ATOM 777 N MET A 52 -1.403 10.055 -2.482 1.00 0.00 N ATOM 778 CA MET A 52 -1.992 9.227 -3.528 1.00 0.00 C ATOM 779 C MET A 52 -2.007 7.759 -3.116 1.00 0.00 C ATOM 780 O MET A 52 -1.016 7.048 -3.280 1.00 0.00 O ATOM 781 CB MET A 52 -1.217 9.393 -4.837 1.00 0.00 C ATOM 782 CG MET A 52 -1.185 10.824 -5.347 1.00 0.00 C ATOM 783 SD MET A 52 -0.891 10.922 -7.123 1.00 0.00 S ATOM 784 CE MET A 52 -2.329 11.848 -7.654 1.00 0.00 C ATOM 0 HA MET A 52 -3.021 9.554 -3.679 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.194 9.045 -4.691 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.665 8.755 -5.598 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.132 11.311 -5.112 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.404 11.375 -4.822 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.291 11.991 -8.734 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.233 11.298 -7.392 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.339 12.820 -7.160 1.00 0.00 H new ATOM 794 N TRP A 53 -3.137 7.312 -2.579 1.00 0.00 N ATOM 795 CA TRP A 53 -3.280 5.928 -2.142 1.00 0.00 C ATOM 796 C TRP A 53 -3.347 4.984 -3.338 1.00 0.00 C ATOM 797 O TRP A 53 -4.205 5.129 -4.208 1.00 0.00 O ATOM 798 CB TRP A 53 -4.535 5.770 -1.282 1.00 0.00 C ATOM 799 CG TRP A 53 -4.411 6.404 0.071 1.00 0.00 C ATOM 800 CD1 TRP A 53 -5.215 7.374 0.598 1.00 0.00 C ATOM 801 CD2 TRP A 53 -3.422 6.115 1.066 1.00 0.00 C ATOM 802 NE1 TRP A 53 -4.787 7.704 1.861 1.00 0.00 N ATOM 803 CE2 TRP A 53 -3.689 6.946 2.171 1.00 0.00 C ATOM 804 CE3 TRP A 53 -2.340 5.234 1.131 1.00 0.00 C ATOM 805 CZ2 TRP A 53 -2.911 6.921 3.326 1.00 0.00 C ATOM 806 CZ3 TRP A 53 -1.568 5.211 2.277 1.00 0.00 C ATOM 807 CH2 TRP A 53 -1.858 6.049 3.362 1.00 0.00 C ATOM 0 H TRP A 53 -3.967 7.888 -2.436 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.405 5.669 -1.546 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.383 6.211 -1.806 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.752 4.709 -1.160 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.063 7.817 0.096 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.217 8.401 2.469 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.111 4.583 0.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -3.131 7.567 4.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.727 4.536 2.337 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.237 6.005 4.245 1.00 0.00 H new ATOM 818 N ASN A 54 -2.437 4.016 -3.375 1.00 0.00 N ATOM 819 CA ASN A 54 -2.393 3.049 -4.465 1.00 0.00 C ATOM 820 C ASN A 54 -1.924 1.686 -3.965 1.00 0.00 C ATOM 821 O ASN A 54 -0.958 1.623 -3.206 1.00 0.00 O ATOM 822 CB ASN A 54 -1.466 3.543 -5.577 1.00 0.00 C ATOM 823 CG ASN A 54 -1.625 5.027 -5.845 1.00 0.00 C ATOM 824 OD1 ASN A 54 -2.729 5.509 -6.096 1.00 0.00 O ATOM 825 ND2 ASN A 54 -0.518 5.760 -5.793 1.00 0.00 N ATOM 0 H ASN A 54 -1.720 3.881 -2.662 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.402 2.943 -4.863 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.432 3.335 -5.303 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.672 2.987 -6.492 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.563 6.764 -5.965 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.377 5.318 -5.581 1.00 0.00 H new ATOM 832 N HIS A 55 -2.609 0.637 -4.396 1.00 0.00 N ATOM 833 CA HIS A 55 -2.253 -0.710 -3.986 1.00 0.00 C ATOM 834 C HIS A 55 -0.749 -0.923 -4.174 1.00 0.00 C ATOM 835 O HIS A 55 -0.154 -0.520 -5.173 1.00 0.00 O ATOM 836 CB HIS A 55 -3.096 -1.746 -4.731 1.00 0.00 C ATOM 837 CG HIS A 55 -4.576 -1.657 -4.441 1.00 0.00 C ATOM 838 ND1 HIS A 55 -5.479 -1.085 -5.320 1.00 0.00 N ATOM 839 CD2 HIS A 55 -5.299 -2.074 -3.363 1.00 0.00 C ATOM 840 CE1 HIS A 55 -6.688 -1.159 -4.784 1.00 0.00 C ATOM 841 NE2 HIS A 55 -6.575 -1.771 -3.571 1.00 0.00 N ATOM 0 H HIS A 55 -3.409 0.693 -5.026 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.474 -0.842 -2.927 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.938 -1.625 -5.803 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.744 -2.743 -4.468 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -5.252 -0.676 -6.226 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -4.901 -2.567 -2.488 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.603 -0.798 -5.230 1.00 0.00 H new ATOM 849 N ALA A 56 -0.145 -1.571 -3.184 1.00 0.00 N ATOM 850 CA ALA A 56 1.284 -1.853 -3.215 1.00 0.00 C ATOM 851 C ALA A 56 1.673 -2.575 -4.502 1.00 0.00 C ATOM 852 O ALA A 56 2.841 -2.586 -4.889 1.00 0.00 O ATOM 853 CB ALA A 56 1.686 -2.680 -2.003 1.00 0.00 C ATOM 0 H ALA A 56 -0.624 -1.911 -2.350 1.00 0.00 H new ATOM 0 HA ALA A 56 1.817 -0.903 -3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.756 -2.883 -2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.452 -2.128 -1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.138 -3.622 -2.007 1.00 0.00 H new ATOM 859 N SER A 57 0.686 -3.176 -5.158 1.00 0.00 N ATOM 860 CA SER A 57 0.926 -3.904 -6.399 1.00 0.00 C ATOM 861 C SER A 57 0.647 -3.020 -7.610 1.00 0.00 C ATOM 862 O SER A 57 1.144 -3.274 -8.708 1.00 0.00 O ATOM 863 CB SER A 57 0.052 -5.158 -6.457 1.00 0.00 C ATOM 864 OG SER A 57 0.398 -5.971 -7.564 1.00 0.00 O ATOM 0 H SER A 57 -0.287 -3.173 -4.851 1.00 0.00 H new ATOM 0 HA SER A 57 1.975 -4.200 -6.420 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.166 -5.727 -5.534 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.997 -4.871 -6.527 1.00 0.00 H new ATOM 0 HG SER A 57 -0.174 -6.766 -7.577 1.00 0.00 H new ATOM 870 N CYS A 58 -0.153 -1.979 -7.403 1.00 0.00 N ATOM 871 CA CYS A 58 -0.500 -1.055 -8.476 1.00 0.00 C ATOM 872 C CYS A 58 0.662 -0.114 -8.782 1.00 0.00 C ATOM 873 O CYS A 58 0.786 0.393 -9.897 1.00 0.00 O ATOM 874 CB CYS A 58 -1.741 -0.244 -8.098 1.00 0.00 C ATOM 875 SG CYS A 58 -3.312 -1.140 -8.322 1.00 0.00 S ATOM 0 H CYS A 58 -0.573 -1.754 -6.501 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.715 -1.641 -9.370 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.657 0.065 -7.056 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.765 0.665 -8.699 1.00 0.00 H new ATOM 0 HG CYS A 58 -3.547 -1.293 -9.591 1.00 0.00 H new ATOM 880 N ILE A 59 1.510 0.113 -7.785 1.00 0.00 N ATOM 881 CA ILE A 59 2.662 0.991 -7.948 1.00 0.00 C ATOM 882 C ILE A 59 3.884 0.212 -8.422 1.00 0.00 C ATOM 883 O ILE A 59 4.521 0.576 -9.412 1.00 0.00 O ATOM 884 CB ILE A 59 3.008 1.715 -6.633 1.00 0.00 C ATOM 885 CG1 ILE A 59 1.809 2.531 -6.145 1.00 0.00 C ATOM 886 CG2 ILE A 59 4.222 2.611 -6.826 1.00 0.00 C ATOM 887 CD1 ILE A 59 1.531 3.758 -6.985 1.00 0.00 C ATOM 0 H ILE A 59 1.421 -0.299 -6.856 1.00 0.00 H new ATOM 0 HA ILE A 59 2.391 1.731 -8.701 1.00 0.00 H new ATOM 0 HB ILE A 59 3.248 0.969 -5.876 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.924 1.895 -6.142 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.984 2.838 -5.114 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.454 3.116 -5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.075 2.006 -7.134 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.008 3.354 -7.594 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.668 4.288 -6.581 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.401 4.415 -6.968 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.324 3.457 -8.012 1.00 0.00 H new ATOM 899 N LEU A 60 4.206 -0.864 -7.712 1.00 0.00 N ATOM 900 CA LEU A 60 5.351 -1.697 -8.061 1.00 0.00 C ATOM 901 C LEU A 60 5.284 -2.130 -9.522 1.00 0.00 C ATOM 902 O LEU A 60 6.311 -2.290 -10.182 1.00 0.00 O ATOM 903 CB LEU A 60 5.407 -2.928 -7.154 1.00 0.00 C ATOM 904 CG LEU A 60 5.670 -2.658 -5.672 1.00 0.00 C ATOM 905 CD1 LEU A 60 5.516 -3.936 -4.862 1.00 0.00 C ATOM 906 CD2 LEU A 60 7.057 -2.064 -5.477 1.00 0.00 C ATOM 0 H LEU A 60 3.690 -1.180 -6.891 1.00 0.00 H new ATOM 0 HA LEU A 60 6.256 -1.106 -7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.462 -3.464 -7.243 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.186 -3.593 -7.526 1.00 0.00 H new ATOM 0 HG LEU A 60 4.934 -1.936 -5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.707 -3.725 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.502 -4.320 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.228 -4.680 -5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.227 -1.878 -4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.807 -2.762 -5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.131 -1.126 -6.026 1.00 0.00 H new ATOM 918 N LYS A 61 4.067 -2.317 -10.023 1.00 0.00 N ATOM 919 CA LYS A 61 3.864 -2.728 -11.407 1.00 0.00 C ATOM 920 C LYS A 61 4.343 -1.648 -12.371 1.00 0.00 C ATOM 921 O LYS A 61 4.718 -1.937 -13.508 1.00 0.00 O ATOM 922 CB LYS A 61 2.386 -3.033 -11.658 1.00 0.00 C ATOM 923 CG LYS A 61 1.489 -1.811 -11.568 1.00 0.00 C ATOM 924 CD LYS A 61 0.247 -1.965 -12.429 1.00 0.00 C ATOM 925 CE LYS A 61 -0.712 -0.800 -12.239 1.00 0.00 C ATOM 926 NZ LYS A 61 -1.941 -0.952 -13.066 1.00 0.00 N ATOM 0 H LYS A 61 3.206 -2.190 -9.491 1.00 0.00 H new ATOM 0 HA LYS A 61 4.449 -3.631 -11.582 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.279 -3.480 -12.646 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.049 -3.775 -10.934 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.196 -1.650 -10.531 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.044 -0.927 -11.883 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.536 -2.032 -13.478 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.258 -2.898 -12.177 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.989 -0.726 -11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.210 0.131 -12.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.569 -0.138 -12.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.679 -0.998 -14.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.435 -1.827 -12.797 1.00 0.00 H new ATOM 940 N LYS A 62 4.328 -0.402 -11.911 1.00 0.00 N ATOM 941 CA LYS A 62 4.762 0.723 -12.731 1.00 0.00 C ATOM 942 C LYS A 62 6.273 0.915 -12.634 1.00 0.00 C ATOM 943 O LYS A 62 6.967 0.143 -11.972 1.00 0.00 O ATOM 944 CB LYS A 62 4.046 2.004 -12.298 1.00 0.00 C ATOM 945 CG LYS A 62 2.607 2.087 -12.777 1.00 0.00 C ATOM 946 CD LYS A 62 2.013 3.462 -12.522 1.00 0.00 C ATOM 947 CE LYS A 62 0.511 3.386 -12.289 1.00 0.00 C ATOM 948 NZ LYS A 62 -0.251 3.438 -13.567 1.00 0.00 N ATOM 0 H LYS A 62 4.020 -0.145 -10.973 1.00 0.00 H new ATOM 0 HA LYS A 62 4.506 0.505 -13.768 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.063 2.070 -11.210 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.597 2.864 -12.678 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.564 1.863 -13.843 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.009 1.331 -12.268 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.495 3.912 -11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.218 4.112 -13.373 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.272 2.463 -11.761 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.201 4.211 -11.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.920 4.234 -13.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.409 3.567 -14.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.775 2.549 -13.695 1.00 0.00 H new ATOM 962 N THR A 63 6.776 1.952 -13.297 1.00 0.00 N ATOM 963 CA THR A 63 8.204 2.246 -13.286 1.00 0.00 C ATOM 964 C THR A 63 8.463 3.698 -12.901 1.00 0.00 C ATOM 965 O THR A 63 7.596 4.558 -13.061 1.00 0.00 O ATOM 966 CB THR A 63 8.846 1.967 -14.658 1.00 0.00 C ATOM 967 OG1 THR A 63 8.190 0.863 -15.291 1.00 0.00 O ATOM 968 CG2 THR A 63 10.329 1.664 -14.509 1.00 0.00 C ATOM 0 H THR A 63 6.216 2.602 -13.848 1.00 0.00 H new ATOM 0 HA THR A 63 8.656 1.590 -12.542 1.00 0.00 H new ATOM 0 HB THR A 63 8.733 2.858 -15.275 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.603 0.693 -16.163 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.761 1.470 -15.491 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.831 2.518 -14.054 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.459 0.787 -13.876 1.00 0.00 H new ATOM 976 N LYS A 64 9.661 3.966 -12.394 1.00 0.00 N ATOM 977 CA LYS A 64 10.036 5.316 -11.989 1.00 0.00 C ATOM 978 C LYS A 64 9.106 5.834 -10.897 1.00 0.00 C ATOM 979 O LYS A 64 8.621 6.963 -10.967 1.00 0.00 O ATOM 980 CB LYS A 64 10.003 6.260 -13.192 1.00 0.00 C ATOM 981 CG LYS A 64 10.976 5.876 -14.294 1.00 0.00 C ATOM 982 CD LYS A 64 11.445 7.093 -15.073 1.00 0.00 C ATOM 983 CE LYS A 64 11.995 6.704 -16.437 1.00 0.00 C ATOM 984 NZ LYS A 64 13.334 6.060 -16.332 1.00 0.00 N ATOM 0 H LYS A 64 10.390 3.266 -12.254 1.00 0.00 H new ATOM 0 HA LYS A 64 11.050 5.280 -11.592 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.993 6.278 -13.601 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.229 7.272 -12.856 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.837 5.367 -13.860 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.498 5.170 -14.973 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.615 7.788 -15.199 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.214 7.616 -14.505 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.301 6.021 -16.927 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.067 7.591 -17.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.674 5.810 -17.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.003 6.721 -15.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.261 5.199 -15.753 1.00 0.00 H new ATOM 998 N GLN A 65 8.862 5.002 -9.889 1.00 0.00 N ATOM 999 CA GLN A 65 7.991 5.378 -8.782 1.00 0.00 C ATOM 1000 C GLN A 65 8.793 5.579 -7.501 1.00 0.00 C ATOM 1001 O GLN A 65 8.687 6.617 -6.847 1.00 0.00 O ATOM 1002 CB GLN A 65 6.918 4.310 -8.565 1.00 0.00 C ATOM 1003 CG GLN A 65 6.148 3.955 -9.827 1.00 0.00 C ATOM 1004 CD GLN A 65 5.241 5.076 -10.292 1.00 0.00 C ATOM 1005 OE1 GLN A 65 5.626 5.896 -11.127 1.00 0.00 O ATOM 1006 NE2 GLN A 65 4.028 5.119 -9.754 1.00 0.00 N ATOM 0 H GLN A 65 9.255 4.064 -9.817 1.00 0.00 H new ATOM 0 HA GLN A 65 7.508 6.321 -9.037 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.388 3.409 -8.171 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.216 4.660 -7.808 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.853 3.710 -10.621 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.551 3.062 -9.644 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.750 4.419 -9.066 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.374 5.852 -10.029 1.00 0.00 H new ATOM 1015 N ILE A 66 9.594 4.579 -7.148 1.00 0.00 N ATOM 1016 CA ILE A 66 10.415 4.647 -5.945 1.00 0.00 C ATOM 1017 C ILE A 66 11.892 4.461 -6.276 1.00 0.00 C ATOM 1018 O ILE A 66 12.256 3.606 -7.083 1.00 0.00 O ATOM 1019 CB ILE A 66 9.993 3.581 -4.916 1.00 0.00 C ATOM 1020 CG1 ILE A 66 8.525 3.768 -4.529 1.00 0.00 C ATOM 1021 CG2 ILE A 66 10.885 3.652 -3.685 1.00 0.00 C ATOM 1022 CD1 ILE A 66 7.985 2.657 -3.655 1.00 0.00 C ATOM 0 H ILE A 66 9.692 3.713 -7.677 1.00 0.00 H new ATOM 0 HA ILE A 66 10.264 5.637 -5.515 1.00 0.00 H new ATOM 0 HB ILE A 66 10.107 2.595 -5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.414 4.718 -4.006 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.924 3.831 -5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.575 2.893 -2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.921 3.475 -3.975 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.799 4.639 -3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.939 2.855 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.064 1.707 -4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.562 2.608 -2.731 1.00 0.00 H new ATOM 1034 N LYS A 67 12.739 5.268 -5.646 1.00 0.00 N ATOM 1035 CA LYS A 67 14.178 5.192 -5.870 1.00 0.00 C ATOM 1036 C LYS A 67 14.803 4.089 -5.023 1.00 0.00 C ATOM 1037 O LYS A 67 15.549 3.251 -5.530 1.00 0.00 O ATOM 1038 CB LYS A 67 14.837 6.535 -5.545 1.00 0.00 C ATOM 1039 CG LYS A 67 16.189 6.725 -6.209 1.00 0.00 C ATOM 1040 CD LYS A 67 16.048 6.978 -7.701 1.00 0.00 C ATOM 1041 CE LYS A 67 17.335 6.656 -8.445 1.00 0.00 C ATOM 1042 NZ LYS A 67 17.116 6.558 -9.915 1.00 0.00 N ATOM 0 H LYS A 67 12.454 5.982 -4.976 1.00 0.00 H new ATOM 0 HA LYS A 67 14.345 4.957 -6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.172 7.341 -5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.957 6.619 -4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.709 7.563 -5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.803 5.839 -6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.235 6.371 -8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.780 8.021 -7.871 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.077 7.428 -8.239 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.743 5.715 -8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.017 6.337 -10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.427 5.804 -10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.751 7.464 -10.273 1.00 0.00 H new ATOM 1056 N SER A 68 14.493 4.094 -3.730 1.00 0.00 N ATOM 1057 CA SER A 68 15.026 3.095 -2.812 1.00 0.00 C ATOM 1058 C SER A 68 14.062 2.850 -1.656 1.00 0.00 C ATOM 1059 O SER A 68 13.231 3.699 -1.335 1.00 0.00 O ATOM 1060 CB SER A 68 16.386 3.542 -2.272 1.00 0.00 C ATOM 1061 OG SER A 68 17.212 2.427 -1.983 1.00 0.00 O ATOM 0 H SER A 68 13.875 4.779 -3.295 1.00 0.00 H new ATOM 0 HA SER A 68 15.150 2.162 -3.362 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.878 4.183 -3.003 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.245 4.137 -1.370 1.00 0.00 H new ATOM 0 HG SER A 68 18.076 2.740 -1.641 1.00 0.00 H new ATOM 1067 N VAL A 69 14.180 1.682 -1.032 1.00 0.00 N ATOM 1068 CA VAL A 69 13.321 1.324 0.090 1.00 0.00 C ATOM 1069 C VAL A 69 13.398 2.370 1.197 1.00 0.00 C ATOM 1070 O VAL A 69 12.448 2.554 1.958 1.00 0.00 O ATOM 1071 CB VAL A 69 13.700 -0.051 0.671 1.00 0.00 C ATOM 1072 CG1 VAL A 69 13.321 -1.163 -0.295 1.00 0.00 C ATOM 1073 CG2 VAL A 69 15.185 -0.100 0.997 1.00 0.00 C ATOM 0 H VAL A 69 14.863 0.968 -1.285 1.00 0.00 H new ATOM 0 HA VAL A 69 12.302 1.279 -0.294 1.00 0.00 H new ATOM 0 HB VAL A 69 13.143 -0.201 1.596 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.597 -2.127 0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.246 -1.139 -0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.848 -1.021 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.436 -1.079 1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.763 0.072 0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.422 0.671 1.730 1.00 0.00 H new ATOM 1083 N ASP A 70 14.534 3.053 1.279 1.00 0.00 N ATOM 1084 CA ASP A 70 14.735 4.083 2.292 1.00 0.00 C ATOM 1085 C ASP A 70 13.767 5.244 2.086 1.00 0.00 C ATOM 1086 O ASP A 70 13.431 5.960 3.030 1.00 0.00 O ATOM 1087 CB ASP A 70 16.177 4.592 2.253 1.00 0.00 C ATOM 1088 CG ASP A 70 16.343 5.789 1.337 1.00 0.00 C ATOM 1089 OD1 ASP A 70 15.972 5.684 0.149 1.00 0.00 O ATOM 1090 OD2 ASP A 70 16.844 6.831 1.809 1.00 0.00 O ATOM 0 H ASP A 70 15.330 2.912 0.657 1.00 0.00 H new ATOM 0 HA ASP A 70 14.540 3.640 3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.491 4.863 3.261 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.834 3.789 1.919 1.00 0.00 H new ATOM 1095 N ASP A 71 13.322 5.424 0.848 1.00 0.00 N ATOM 1096 CA ASP A 71 12.392 6.498 0.518 1.00 0.00 C ATOM 1097 C ASP A 71 10.969 6.128 0.923 1.00 0.00 C ATOM 1098 O ASP A 71 10.054 6.947 0.833 1.00 0.00 O ATOM 1099 CB ASP A 71 12.445 6.806 -0.979 1.00 0.00 C ATOM 1100 CG ASP A 71 13.596 7.725 -1.341 1.00 0.00 C ATOM 1101 OD1 ASP A 71 13.870 8.664 -0.566 1.00 0.00 O ATOM 1102 OD2 ASP A 71 14.220 7.505 -2.400 1.00 0.00 O ATOM 0 H ASP A 71 13.590 4.840 0.056 1.00 0.00 H new ATOM 0 HA ASP A 71 12.690 7.387 1.075 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.539 5.874 -1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.506 7.267 -1.286 1.00 0.00 H new ATOM 1107 N VAL A 72 10.789 4.889 1.370 1.00 0.00 N ATOM 1108 CA VAL A 72 9.477 4.410 1.789 1.00 0.00 C ATOM 1109 C VAL A 72 9.339 4.446 3.307 1.00 0.00 C ATOM 1110 O VAL A 72 10.080 3.774 4.024 1.00 0.00 O ATOM 1111 CB VAL A 72 9.220 2.974 1.295 1.00 0.00 C ATOM 1112 CG1 VAL A 72 7.814 2.526 1.665 1.00 0.00 C ATOM 1113 CG2 VAL A 72 9.440 2.880 -0.207 1.00 0.00 C ATOM 0 H VAL A 72 11.535 4.199 1.451 1.00 0.00 H new ATOM 0 HA VAL A 72 8.739 5.077 1.344 1.00 0.00 H new ATOM 0 HB VAL A 72 9.929 2.307 1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.650 1.509 1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.697 2.553 2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.086 3.194 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.254 1.858 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.756 3.558 -0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.468 3.156 -0.442 1.00 0.00 H new ATOM 1123 N GLU A 73 8.384 5.236 3.790 1.00 0.00 N ATOM 1124 CA GLU A 73 8.149 5.359 5.224 1.00 0.00 C ATOM 1125 C GLU A 73 7.361 4.164 5.751 1.00 0.00 C ATOM 1126 O GLU A 73 6.800 3.387 4.979 1.00 0.00 O ATOM 1127 CB GLU A 73 7.397 6.656 5.530 1.00 0.00 C ATOM 1128 CG GLU A 73 7.313 6.976 7.013 1.00 0.00 C ATOM 1129 CD GLU A 73 6.109 6.341 7.680 1.00 0.00 C ATOM 1130 OE1 GLU A 73 4.989 6.492 7.149 1.00 0.00 O ATOM 1131 OE2 GLU A 73 6.286 5.693 8.733 1.00 0.00 O ATOM 0 H GLU A 73 7.762 5.799 3.210 1.00 0.00 H new ATOM 0 HA GLU A 73 9.117 5.382 5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.890 7.481 5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.388 6.585 5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.221 6.631 7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.269 8.057 7.146 1.00 0.00 H new ATOM 1138 N GLY A 74 7.323 4.024 7.073 1.00 0.00 N ATOM 1139 CA GLY A 74 6.602 2.921 7.681 1.00 0.00 C ATOM 1140 C GLY A 74 6.775 1.623 6.918 1.00 0.00 C ATOM 1141 O GLY A 74 5.907 0.751 6.958 1.00 0.00 O ATOM 0 H GLY A 74 7.778 4.654 7.733 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.949 2.785 8.705 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.542 3.169 7.734 1.00 0.00 H new ATOM 1145 N ILE A 75 7.899 1.495 6.220 1.00 0.00 N ATOM 1146 CA ILE A 75 8.182 0.294 5.444 1.00 0.00 C ATOM 1147 C ILE A 75 8.591 -0.862 6.350 1.00 0.00 C ATOM 1148 O ILE A 75 8.213 -2.009 6.116 1.00 0.00 O ATOM 1149 CB ILE A 75 9.298 0.542 4.411 1.00 0.00 C ATOM 1150 CG1 ILE A 75 9.371 -0.621 3.419 1.00 0.00 C ATOM 1151 CG2 ILE A 75 10.635 0.733 5.111 1.00 0.00 C ATOM 1152 CD1 ILE A 75 10.241 -0.333 2.215 1.00 0.00 C ATOM 0 H ILE A 75 8.628 2.208 6.176 1.00 0.00 H new ATOM 0 HA ILE A 75 7.263 0.033 4.919 1.00 0.00 H new ATOM 0 HB ILE A 75 9.066 1.453 3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.755 -1.503 3.932 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.364 -0.863 3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.413 0.907 4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.575 1.590 5.782 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.876 -0.161 5.686 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.247 -1.200 1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.845 0.529 1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.258 -0.120 2.544 1.00 0.00 H new ATOM 1164 N GLU A 76 9.364 -0.550 7.385 1.00 0.00 N ATOM 1165 CA GLU A 76 9.823 -1.564 8.327 1.00 0.00 C ATOM 1166 C GLU A 76 8.646 -2.185 9.075 1.00 0.00 C ATOM 1167 O GLU A 76 8.759 -3.273 9.638 1.00 0.00 O ATOM 1168 CB GLU A 76 10.812 -0.956 9.324 1.00 0.00 C ATOM 1169 CG GLU A 76 10.216 0.157 10.170 1.00 0.00 C ATOM 1170 CD GLU A 76 10.958 0.357 11.477 1.00 0.00 C ATOM 1171 OE1 GLU A 76 11.319 -0.654 12.115 1.00 0.00 O ATOM 1172 OE2 GLU A 76 11.179 1.524 11.862 1.00 0.00 O ATOM 0 H GLU A 76 9.685 0.396 7.592 1.00 0.00 H new ATOM 0 HA GLU A 76 10.325 -2.348 7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.182 -1.743 9.982 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.671 -0.566 8.779 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.230 1.087 9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.171 -0.072 10.381 1.00 0.00 H new ATOM 1179 N SER A 77 7.518 -1.483 9.077 1.00 0.00 N ATOM 1180 CA SER A 77 6.321 -1.961 9.759 1.00 0.00 C ATOM 1181 C SER A 77 5.602 -3.013 8.920 1.00 0.00 C ATOM 1182 O SER A 77 4.816 -3.808 9.440 1.00 0.00 O ATOM 1183 CB SER A 77 5.376 -0.795 10.055 1.00 0.00 C ATOM 1184 OG SER A 77 4.366 -1.177 10.973 1.00 0.00 O ATOM 0 H SER A 77 7.408 -0.581 8.614 1.00 0.00 H new ATOM 0 HA SER A 77 6.627 -2.418 10.700 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.943 0.043 10.461 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.918 -0.450 9.128 1.00 0.00 H new ATOM 0 HG SER A 77 3.776 -0.414 11.147 1.00 0.00 H new ATOM 1190 N LEU A 78 5.875 -3.013 7.621 1.00 0.00 N ATOM 1191 CA LEU A 78 5.255 -3.967 6.708 1.00 0.00 C ATOM 1192 C LEU A 78 5.782 -5.377 6.953 1.00 0.00 C ATOM 1193 O LEU A 78 6.798 -5.563 7.624 1.00 0.00 O ATOM 1194 CB LEU A 78 5.516 -3.558 5.257 1.00 0.00 C ATOM 1195 CG LEU A 78 5.208 -2.103 4.904 1.00 0.00 C ATOM 1196 CD1 LEU A 78 5.525 -1.829 3.442 1.00 0.00 C ATOM 1197 CD2 LEU A 78 3.752 -1.777 5.206 1.00 0.00 C ATOM 0 H LEU A 78 6.522 -2.363 7.175 1.00 0.00 H new ATOM 0 HA LEU A 78 4.181 -3.963 6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.564 -3.752 5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.924 -4.202 4.607 1.00 0.00 H new ATOM 0 HG LEU A 78 5.839 -1.460 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.299 -0.788 3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.582 -2.021 3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.921 -2.481 2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.551 -0.737 4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.104 -2.428 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.557 -1.932 6.267 1.00 0.00 H new ATOM 1209 N ARG A 79 5.087 -6.367 6.404 1.00 0.00 N ATOM 1210 CA ARG A 79 5.485 -7.761 6.563 1.00 0.00 C ATOM 1211 C ARG A 79 6.696 -8.082 5.692 1.00 0.00 C ATOM 1212 O ARG A 79 6.857 -7.526 4.605 1.00 0.00 O ATOM 1213 CB ARG A 79 4.324 -8.689 6.203 1.00 0.00 C ATOM 1214 CG ARG A 79 3.324 -8.879 7.332 1.00 0.00 C ATOM 1215 CD ARG A 79 3.962 -9.559 8.533 1.00 0.00 C ATOM 1216 NE ARG A 79 2.985 -10.297 9.328 1.00 0.00 N ATOM 1217 CZ ARG A 79 3.202 -10.693 10.577 1.00 0.00 C ATOM 1218 NH1 ARG A 79 4.356 -10.423 11.171 1.00 0.00 N ATOM 1219 NH2 ARG A 79 2.263 -11.361 11.236 1.00 0.00 N ATOM 0 H ARG A 79 4.245 -6.230 5.845 1.00 0.00 H new ATOM 0 HA ARG A 79 5.757 -7.919 7.607 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.805 -8.287 5.333 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.723 -9.662 5.915 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.923 -7.911 7.631 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.484 -9.476 6.978 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.741 -10.241 8.192 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.446 -8.809 9.159 1.00 0.00 H new ATOM 0 HE ARG A 79 2.086 -10.521 8.901 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.080 -9.910 10.669 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.520 -10.728 12.130 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.373 -11.571 10.783 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.431 -11.665 12.195 1.00 0.00 H new ATOM 1233 N TRP A 80 7.545 -8.981 6.177 1.00 0.00 N ATOM 1234 CA TRP A 80 8.742 -9.376 5.443 1.00 0.00 C ATOM 1235 C TRP A 80 8.466 -9.439 3.945 1.00 0.00 C ATOM 1236 O TRP A 80 9.071 -8.707 3.163 1.00 0.00 O ATOM 1237 CB TRP A 80 9.244 -10.733 5.939 1.00 0.00 C ATOM 1238 CG TRP A 80 10.254 -11.362 5.027 1.00 0.00 C ATOM 1239 CD1 TRP A 80 11.497 -10.882 4.726 1.00 0.00 C ATOM 1240 CD2 TRP A 80 10.105 -12.584 4.296 1.00 0.00 C ATOM 1241 NE1 TRP A 80 12.130 -11.733 3.852 1.00 0.00 N ATOM 1242 CE2 TRP A 80 11.298 -12.785 3.574 1.00 0.00 C ATOM 1243 CE3 TRP A 80 9.082 -13.529 4.184 1.00 0.00 C ATOM 1244 CZ2 TRP A 80 11.492 -13.892 2.751 1.00 0.00 C ATOM 1245 CZ3 TRP A 80 9.276 -14.627 3.367 1.00 0.00 C ATOM 1246 CH2 TRP A 80 10.473 -14.801 2.660 1.00 0.00 C ATOM 0 H TRP A 80 7.427 -9.450 7.075 1.00 0.00 H new ATOM 0 HA TRP A 80 9.511 -8.625 5.620 1.00 0.00 H new ATOM 0 HB2 TRP A 80 9.685 -10.610 6.928 1.00 0.00 H new ATOM 0 HB3 TRP A 80 8.395 -11.408 6.050 1.00 0.00 H new ATOM 0 HD1 TRP A 80 11.920 -9.968 5.117 1.00 0.00 H new ATOM 0 HE1 TRP A 80 13.067 -11.602 3.472 1.00 0.00 H new ATOM 0 HE3 TRP A 80 8.156 -13.404 4.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 12.413 -14.028 2.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.492 -15.363 3.272 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.594 -15.670 2.030 1.00 0.00 H new ATOM 1257 N GLU A 81 7.548 -10.317 3.552 1.00 0.00 N ATOM 1258 CA GLU A 81 7.194 -10.474 2.147 1.00 0.00 C ATOM 1259 C GLU A 81 6.948 -9.117 1.493 1.00 0.00 C ATOM 1260 O GLU A 81 7.367 -8.877 0.361 1.00 0.00 O ATOM 1261 CB GLU A 81 5.949 -11.353 2.007 1.00 0.00 C ATOM 1262 CG GLU A 81 4.645 -10.592 2.176 1.00 0.00 C ATOM 1263 CD GLU A 81 3.429 -11.439 1.852 1.00 0.00 C ATOM 1264 OE1 GLU A 81 3.087 -12.320 2.668 1.00 0.00 O ATOM 1265 OE2 GLU A 81 2.821 -11.222 0.783 1.00 0.00 O ATOM 0 H GLU A 81 7.037 -10.930 4.187 1.00 0.00 H new ATOM 0 HA GLU A 81 8.030 -10.956 1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.958 -11.828 1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.993 -12.151 2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.569 -10.232 3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.654 -9.714 1.530 1.00 0.00 H new ATOM 1272 N ASP A 82 6.265 -8.235 2.214 1.00 0.00 N ATOM 1273 CA ASP A 82 5.963 -6.902 1.705 1.00 0.00 C ATOM 1274 C ASP A 82 7.239 -6.084 1.532 1.00 0.00 C ATOM 1275 O ASP A 82 7.515 -5.571 0.448 1.00 0.00 O ATOM 1276 CB ASP A 82 5.003 -6.177 2.651 1.00 0.00 C ATOM 1277 CG ASP A 82 3.647 -6.850 2.725 1.00 0.00 C ATOM 1278 OD1 ASP A 82 3.566 -8.060 2.426 1.00 0.00 O ATOM 1279 OD2 ASP A 82 2.665 -6.166 3.083 1.00 0.00 O ATOM 0 H ASP A 82 5.910 -8.419 3.152 1.00 0.00 H new ATOM 0 HA ASP A 82 5.488 -7.012 0.730 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.441 -6.137 3.648 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.877 -5.147 2.317 1.00 0.00 H new ATOM 1284 N GLN A 83 8.012 -5.968 2.607 1.00 0.00 N ATOM 1285 CA GLN A 83 9.258 -5.211 2.573 1.00 0.00 C ATOM 1286 C GLN A 83 10.143 -5.671 1.418 1.00 0.00 C ATOM 1287 O GLN A 83 10.892 -4.879 0.846 1.00 0.00 O ATOM 1288 CB GLN A 83 10.008 -5.363 3.897 1.00 0.00 C ATOM 1289 CG GLN A 83 9.211 -4.896 5.104 1.00 0.00 C ATOM 1290 CD GLN A 83 10.090 -4.578 6.297 1.00 0.00 C ATOM 1291 OE1 GLN A 83 11.090 -3.870 6.175 1.00 0.00 O ATOM 1292 NE2 GLN A 83 9.722 -5.101 7.461 1.00 0.00 N ATOM 0 H GLN A 83 7.798 -6.388 3.511 1.00 0.00 H new ATOM 0 HA GLN A 83 9.011 -4.160 2.422 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.279 -6.410 4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.938 -4.797 3.845 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.637 -4.010 4.834 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.494 -5.668 5.382 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.886 -5.682 7.517 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.276 -4.921 8.299 1.00 0.00 H new ATOM 1301 N GLN A 84 10.051 -6.953 1.083 1.00 0.00 N ATOM 1302 CA GLN A 84 10.844 -7.518 -0.002 1.00 0.00 C ATOM 1303 C GLN A 84 10.414 -6.942 -1.347 1.00 0.00 C ATOM 1304 O GLN A 84 11.250 -6.595 -2.183 1.00 0.00 O ATOM 1305 CB GLN A 84 10.712 -9.041 -0.020 1.00 0.00 C ATOM 1306 CG GLN A 84 11.145 -9.705 1.276 1.00 0.00 C ATOM 1307 CD GLN A 84 12.615 -10.076 1.280 1.00 0.00 C ATOM 1308 OE1 GLN A 84 13.093 -10.773 0.384 1.00 0.00 O ATOM 1309 NE2 GLN A 84 13.341 -9.610 2.289 1.00 0.00 N ATOM 0 H GLN A 84 9.435 -7.621 1.547 1.00 0.00 H new ATOM 0 HA GLN A 84 11.888 -7.254 0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.674 -9.305 -0.225 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.310 -9.439 -0.840 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.942 -9.033 2.110 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.547 -10.602 1.437 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.903 -9.036 3.010 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.336 -9.826 2.344 1.00 0.00 H new ATOM 1318 N LYS A 85 9.105 -6.842 -1.551 1.00 0.00 N ATOM 1319 CA LYS A 85 8.562 -6.308 -2.794 1.00 0.00 C ATOM 1320 C LYS A 85 9.136 -4.926 -3.089 1.00 0.00 C ATOM 1321 O LYS A 85 9.273 -4.535 -4.249 1.00 0.00 O ATOM 1322 CB LYS A 85 7.035 -6.231 -2.717 1.00 0.00 C ATOM 1323 CG LYS A 85 6.369 -7.579 -2.499 1.00 0.00 C ATOM 1324 CD LYS A 85 4.888 -7.426 -2.197 1.00 0.00 C ATOM 1325 CE LYS A 85 4.382 -8.548 -1.304 1.00 0.00 C ATOM 1326 NZ LYS A 85 2.957 -8.353 -0.921 1.00 0.00 N ATOM 0 H LYS A 85 8.400 -7.124 -0.870 1.00 0.00 H new ATOM 0 HA LYS A 85 8.846 -6.981 -3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.754 -5.560 -1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.655 -5.792 -3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.498 -8.198 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.858 -8.098 -1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.712 -6.466 -1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.324 -7.420 -3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.492 -9.501 -1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.996 -8.601 -0.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.641 -9.156 -0.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.861 -7.473 -0.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.372 -8.294 -1.779 1.00 0.00 H new ATOM 1340 N ILE A 86 9.473 -4.193 -2.033 1.00 0.00 N ATOM 1341 CA ILE A 86 10.035 -2.856 -2.180 1.00 0.00 C ATOM 1342 C ILE A 86 11.476 -2.917 -2.676 1.00 0.00 C ATOM 1343 O ILE A 86 11.778 -2.490 -3.790 1.00 0.00 O ATOM 1344 CB ILE A 86 9.994 -2.079 -0.851 1.00 0.00 C ATOM 1345 CG1 ILE A 86 8.595 -2.150 -0.237 1.00 0.00 C ATOM 1346 CG2 ILE A 86 10.408 -0.631 -1.071 1.00 0.00 C ATOM 1347 CD1 ILE A 86 7.527 -1.498 -1.087 1.00 0.00 C ATOM 0 H ILE A 86 9.367 -4.502 -1.067 1.00 0.00 H new ATOM 0 HA ILE A 86 9.422 -2.335 -2.915 1.00 0.00 H new ATOM 0 HB ILE A 86 10.699 -2.537 -0.157 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.331 -3.195 -0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.612 -1.670 0.742 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.374 -0.095 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 86 11.422 -0.599 -1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.725 -0.161 -1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.561 -1.587 -0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.767 -0.444 -1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.482 -1.993 -2.057 1.00 0.00 H new ATOM 1359 N ARG A 87 12.361 -3.453 -1.842 1.00 0.00 N ATOM 1360 CA ARG A 87 13.770 -3.571 -2.195 1.00 0.00 C ATOM 1361 C ARG A 87 13.938 -4.306 -3.522 1.00 0.00 C ATOM 1362 O ARG A 87 14.783 -3.945 -4.342 1.00 0.00 O ATOM 1363 CB ARG A 87 14.535 -4.305 -1.093 1.00 0.00 C ATOM 1364 CG ARG A 87 14.063 -5.733 -0.871 1.00 0.00 C ATOM 1365 CD ARG A 87 14.303 -6.183 0.561 1.00 0.00 C ATOM 1366 NE ARG A 87 14.577 -7.615 0.646 1.00 0.00 N ATOM 1367 CZ ARG A 87 15.773 -8.149 0.425 1.00 0.00 C ATOM 1368 NH1 ARG A 87 16.800 -7.374 0.108 1.00 0.00 N ATOM 1369 NH2 ARG A 87 15.943 -9.461 0.522 1.00 0.00 N ATOM 0 H ARG A 87 12.127 -3.813 -0.917 1.00 0.00 H new ATOM 0 HA ARG A 87 14.177 -2.565 -2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.595 -4.317 -1.345 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.435 -3.749 -0.161 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.001 -5.806 -1.103 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.586 -6.401 -1.556 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.142 -5.628 0.980 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.429 -5.945 1.167 1.00 0.00 H new ATOM 0 HE ARG A 87 13.808 -8.239 0.888 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.673 -6.365 0.033 1.00 0.00 H new ATOM 0 HH12 ARG A 87 17.717 -7.787 -0.061 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.155 -10.061 0.766 1.00 0.00 H new ATOM 0 HH22 ARG A 87 16.862 -9.870 0.352 1.00 0.00 H new ATOM 1383 N LYS A 88 13.128 -5.339 -3.726 1.00 0.00 N ATOM 1384 CA LYS A 88 13.186 -6.126 -4.952 1.00 0.00 C ATOM 1385 C LYS A 88 12.602 -5.347 -6.127 1.00 0.00 C ATOM 1386 O LYS A 88 12.518 -5.859 -7.243 1.00 0.00 O ATOM 1387 CB LYS A 88 12.427 -7.443 -4.774 1.00 0.00 C ATOM 1388 CG LYS A 88 12.890 -8.254 -3.576 1.00 0.00 C ATOM 1389 CD LYS A 88 13.997 -9.224 -3.953 1.00 0.00 C ATOM 1390 CE LYS A 88 13.435 -10.573 -4.376 1.00 0.00 C ATOM 1391 NZ LYS A 88 12.925 -10.548 -5.774 1.00 0.00 N ATOM 0 H LYS A 88 12.423 -5.651 -3.058 1.00 0.00 H new ATOM 0 HA LYS A 88 14.233 -6.342 -5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.364 -7.228 -4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.543 -8.044 -5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.245 -7.581 -2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.047 -8.806 -3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 88 14.589 -8.804 -4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.669 -9.358 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.210 -11.334 -4.286 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.629 -10.858 -3.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 12.853 -11.521 -6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.986 -10.101 -5.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.579 -10.005 -6.373 1.00 0.00 H new ATOM 1405 N TYR A 89 12.202 -4.107 -5.867 1.00 0.00 N ATOM 1406 CA TYR A 89 11.626 -3.257 -6.903 1.00 0.00 C ATOM 1407 C TYR A 89 12.528 -2.062 -7.191 1.00 0.00 C ATOM 1408 O TYR A 89 12.687 -1.651 -8.341 1.00 0.00 O ATOM 1409 CB TYR A 89 10.238 -2.773 -6.480 1.00 0.00 C ATOM 1410 CG TYR A 89 9.720 -1.620 -7.311 1.00 0.00 C ATOM 1411 CD1 TYR A 89 9.066 -1.846 -8.516 1.00 0.00 C ATOM 1412 CD2 TYR A 89 9.886 -0.306 -6.892 1.00 0.00 C ATOM 1413 CE1 TYR A 89 8.591 -0.797 -9.279 1.00 0.00 C ATOM 1414 CE2 TYR A 89 9.414 0.749 -7.648 1.00 0.00 C ATOM 1415 CZ TYR A 89 8.767 0.499 -8.840 1.00 0.00 C ATOM 1416 OH TYR A 89 8.296 1.548 -9.597 1.00 0.00 O ATOM 0 H TYR A 89 12.266 -3.668 -4.948 1.00 0.00 H new ATOM 0 HA TYR A 89 11.536 -3.848 -7.814 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.536 -3.604 -6.549 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.271 -2.470 -5.434 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.927 -2.860 -8.862 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.393 -0.106 -5.959 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.085 -0.990 -10.213 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.551 1.765 -7.307 1.00 0.00 H new ATOM 0 HH TYR A 89 7.847 1.200 -10.395 1.00 0.00 H new ATOM 1426 N VAL A 90 13.119 -1.506 -6.138 1.00 0.00 N ATOM 1427 CA VAL A 90 14.008 -0.359 -6.276 1.00 0.00 C ATOM 1428 C VAL A 90 15.388 -0.788 -6.760 1.00 0.00 C ATOM 1429 O VAL A 90 16.086 -0.027 -7.430 1.00 0.00 O ATOM 1430 CB VAL A 90 14.156 0.400 -4.944 1.00 0.00 C ATOM 1431 CG1 VAL A 90 12.881 1.163 -4.620 1.00 0.00 C ATOM 1432 CG2 VAL A 90 14.512 -0.561 -3.820 1.00 0.00 C ATOM 0 H VAL A 90 12.998 -1.832 -5.179 1.00 0.00 H new ATOM 0 HA VAL A 90 13.557 0.303 -7.015 1.00 0.00 H new ATOM 0 HB VAL A 90 14.967 1.121 -5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.004 1.693 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.674 1.880 -5.414 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.049 0.463 -4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.613 -0.008 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.724 -1.307 -3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.454 -1.058 -4.051 1.00 0.00 H new ATOM 1442 N GLU A 91 15.776 -2.012 -6.416 1.00 0.00 N ATOM 1443 CA GLU A 91 17.074 -2.542 -6.816 1.00 0.00 C ATOM 1444 C GLU A 91 17.044 -3.018 -8.265 1.00 0.00 C ATOM 1445 O GLU A 91 17.877 -2.618 -9.079 1.00 0.00 O ATOM 1446 CB GLU A 91 17.484 -3.695 -5.897 1.00 0.00 C ATOM 1447 CG GLU A 91 17.699 -3.275 -4.453 1.00 0.00 C ATOM 1448 CD GLU A 91 19.074 -2.681 -4.217 1.00 0.00 C ATOM 1449 OE1 GLU A 91 19.619 -2.059 -5.152 1.00 0.00 O ATOM 1450 OE2 GLU A 91 19.604 -2.837 -3.097 1.00 0.00 O ATOM 0 H GLU A 91 15.210 -2.655 -5.862 1.00 0.00 H new ATOM 0 HA GLU A 91 17.807 -1.740 -6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.715 -4.467 -5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.402 -4.143 -6.277 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.939 -2.545 -4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.564 -4.140 -3.803 1.00 0.00 H new