USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 628 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 40 GLN : amide:sc= 0.839 K(o=2.7,f=-0.67) USER MOD Set 1.2: A 74 SER OG : rot -112:sc= 1.89 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0472 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.03 X(o=-0.03,f=-0.033) USER MOD Single : A 26 GLN : amide:sc= 0.947 K(o=0.95,f=-0.87) USER MOD Single : A 28 ASN : amide:sc= 0.246 K(o=0.25,f=-8.9!) USER MOD Single : A 35 THR OG1 : rot 67:sc= 1.21 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= 0.878 (180deg=0.876) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0592 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0282) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N LEU A 8 0.737 13.316 -6.642 1.00 0.00 N ATOM 104 CA LEU A 8 0.992 14.730 -6.886 1.00 0.00 C ATOM 105 C LEU A 8 -0.257 15.435 -7.398 1.00 0.00 C ATOM 106 O LEU A 8 -0.939 14.937 -8.294 1.00 0.00 O ATOM 107 CB LEU A 8 2.132 14.896 -7.899 1.00 0.00 C ATOM 108 CG LEU A 8 3.463 14.235 -7.518 1.00 0.00 C ATOM 109 CD1 LEU A 8 4.484 14.476 -8.620 1.00 0.00 C ATOM 110 CD2 LEU A 8 3.947 14.798 -6.190 1.00 0.00 C ATOM 0 HA LEU A 8 1.280 15.186 -5.939 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.806 14.488 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.307 15.961 -8.050 1.00 0.00 H new ATOM 0 HG LEU A 8 3.327 13.159 -7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.430 14.006 -8.349 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.120 14.047 -9.553 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.635 15.548 -8.748 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.893 14.329 -5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.089 15.875 -6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.206 14.594 -5.417 1.00 0.00 H new ATOM 122 N LEU A 9 -0.553 16.596 -6.824 1.00 0.00 N ATOM 123 CA LEU A 9 -1.688 17.400 -7.262 1.00 0.00 C ATOM 124 C LEU A 9 -1.268 18.837 -7.543 1.00 0.00 C ATOM 125 O LEU A 9 -0.619 19.478 -6.716 1.00 0.00 O ATOM 126 CB LEU A 9 -2.792 17.383 -6.198 1.00 0.00 C ATOM 127 CG LEU A 9 -3.989 18.304 -6.466 1.00 0.00 C ATOM 128 CD1 LEU A 9 -4.736 17.820 -7.701 1.00 0.00 C ATOM 129 CD2 LEU A 9 -4.900 18.320 -5.248 1.00 0.00 C ATOM 0 H LEU A 9 -0.022 17.002 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.069 16.965 -8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.159 16.361 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.352 17.659 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.643 19.321 -6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.587 18.474 -7.891 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.066 17.836 -8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.091 16.803 -7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.751 18.974 -5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.257 17.310 -5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.346 18.687 -4.384 1.00 0.00 H new ATOM 141 N TYR A 10 -1.642 19.339 -8.715 1.00 0.00 N ATOM 142 CA TYR A 10 -1.363 20.723 -9.080 1.00 0.00 C ATOM 143 C TYR A 10 -2.649 21.484 -9.378 1.00 0.00 C ATOM 144 O TYR A 10 -2.977 21.737 -10.538 1.00 0.00 O ATOM 145 CB TYR A 10 -0.422 20.779 -10.285 1.00 0.00 C ATOM 146 CG TYR A 10 0.903 20.086 -10.057 1.00 0.00 C ATOM 147 CD1 TYR A 10 1.075 18.769 -10.458 1.00 0.00 C ATOM 148 CD2 TYR A 10 1.947 20.767 -9.448 1.00 0.00 C ATOM 149 CE1 TYR A 10 2.285 18.136 -10.250 1.00 0.00 C ATOM 150 CE2 TYR A 10 3.156 20.134 -9.240 1.00 0.00 C ATOM 151 CZ TYR A 10 3.327 18.823 -9.638 1.00 0.00 C ATOM 152 OH TYR A 10 4.532 18.193 -9.431 1.00 0.00 O ATOM 0 H TYR A 10 -2.140 18.807 -9.429 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.876 21.202 -8.231 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.917 20.323 -11.142 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.237 21.822 -10.541 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.263 18.239 -10.933 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.814 21.793 -9.137 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.421 17.111 -10.562 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.968 20.664 -8.766 1.00 0.00 H new ATOM 0 HH TYR A 10 5.154 18.812 -8.994 1.00 0.00 H new ATOM 162 N ARG A 11 -3.373 21.847 -8.326 1.00 0.00 N ATOM 163 CA ARG A 11 -4.715 22.398 -8.472 1.00 0.00 C ATOM 164 C ARG A 11 -4.670 23.902 -8.710 1.00 0.00 C ATOM 165 O ARG A 11 -4.391 24.677 -7.795 1.00 0.00 O ATOM 166 CB ARG A 11 -5.551 22.108 -7.235 1.00 0.00 C ATOM 167 CG ARG A 11 -6.992 22.589 -7.309 1.00 0.00 C ATOM 168 CD ARG A 11 -7.752 22.239 -6.082 1.00 0.00 C ATOM 169 NE ARG A 11 -9.091 22.806 -6.093 1.00 0.00 N ATOM 170 CZ ARG A 11 -10.173 22.203 -6.622 1.00 0.00 C ATOM 171 NH1 ARG A 11 -10.058 21.017 -7.179 1.00 0.00 N ATOM 172 NH2 ARG A 11 -11.350 22.802 -6.582 1.00 0.00 N ATOM 0 H ARG A 11 -3.053 21.770 -7.361 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.173 21.919 -9.338 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.551 21.032 -7.058 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.072 22.573 -6.373 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.008 23.670 -7.451 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.479 22.146 -8.178 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.818 21.155 -5.993 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.213 22.599 -5.206 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.220 23.725 -5.670 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.150 20.554 -7.210 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.877 20.560 -7.580 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.440 23.722 -6.150 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.169 22.345 -6.983 1.00 0.00 H new ATOM 186 N GLU A 12 -4.945 24.309 -9.945 1.00 0.00 N ATOM 187 CA GLU A 12 -4.966 25.724 -10.298 1.00 0.00 C ATOM 188 C GLU A 12 -6.357 26.316 -10.114 1.00 0.00 C ATOM 189 O GLU A 12 -7.330 25.833 -10.694 1.00 0.00 O ATOM 190 CB GLU A 12 -4.504 25.920 -11.743 1.00 0.00 C ATOM 191 CG GLU A 12 -3.050 25.545 -11.995 1.00 0.00 C ATOM 192 CD GLU A 12 -2.643 25.717 -13.432 1.00 0.00 C ATOM 193 OE1 GLU A 12 -3.496 25.980 -14.245 1.00 0.00 O ATOM 194 OE2 GLU A 12 -1.476 25.583 -13.717 1.00 0.00 O ATOM 0 H GLU A 12 -5.156 23.679 -10.718 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.280 26.245 -9.630 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.139 25.324 -12.399 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.650 26.964 -12.020 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.407 26.159 -11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.891 24.508 -11.699 1.00 0.00 H new ATOM 201 N GLU A 13 -6.445 27.366 -9.305 1.00 0.00 N ATOM 202 CA GLU A 13 -7.717 28.033 -9.050 1.00 0.00 C ATOM 203 C GLU A 13 -7.666 29.496 -9.469 1.00 0.00 C ATOM 204 O GLU A 13 -6.661 30.177 -9.261 1.00 0.00 O ATOM 205 CB GLU A 13 -8.086 27.928 -7.568 1.00 0.00 C ATOM 206 CG GLU A 13 -8.344 26.509 -7.083 1.00 0.00 C ATOM 207 CD GLU A 13 -8.766 26.452 -5.641 1.00 0.00 C ATOM 208 OE1 GLU A 13 -8.704 27.462 -4.983 1.00 0.00 O ATOM 209 OE2 GLU A 13 -9.152 25.396 -5.198 1.00 0.00 O ATOM 0 H GLU A 13 -5.650 27.774 -8.814 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.481 27.533 -9.646 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.281 28.361 -6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.977 28.529 -7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.118 26.054 -7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.440 25.915 -7.216 1.00 0.00 H new ATOM 216 N THR A 14 -8.755 29.976 -10.060 1.00 0.00 N ATOM 217 CA THR A 14 -8.840 31.363 -10.501 1.00 0.00 C ATOM 218 C THR A 14 -9.533 32.231 -9.459 1.00 0.00 C ATOM 219 O THR A 14 -10.701 32.016 -9.135 1.00 0.00 O ATOM 220 CB THR A 14 -9.585 31.473 -11.844 1.00 0.00 C ATOM 221 OG1 THR A 14 -8.888 30.717 -12.843 1.00 0.00 O ATOM 222 CG2 THR A 14 -9.677 32.926 -12.285 1.00 0.00 C ATOM 0 H THR A 14 -9.592 29.424 -10.245 1.00 0.00 H new ATOM 0 HA THR A 14 -7.819 31.722 -10.634 1.00 0.00 H new ATOM 0 HB THR A 14 -10.593 31.078 -11.717 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.364 30.786 -13.697 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.207 32.985 -13.236 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.217 33.501 -11.533 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.673 33.335 -12.403 1.00 0.00 H new ATOM 230 N ILE A 15 -8.806 33.212 -8.935 1.00 0.00 N ATOM 231 CA ILE A 15 -9.356 34.126 -7.941 1.00 0.00 C ATOM 232 C ILE A 15 -9.726 35.464 -8.567 1.00 0.00 C ATOM 233 O ILE A 15 -8.875 36.155 -9.127 1.00 0.00 O ATOM 234 CB ILE A 15 -8.355 34.355 -6.793 1.00 0.00 C ATOM 235 CG1 ILE A 15 -8.013 33.028 -6.110 1.00 0.00 C ATOM 236 CG2 ILE A 15 -8.919 35.346 -5.786 1.00 0.00 C ATOM 237 CD1 ILE A 15 -6.844 33.116 -5.156 1.00 0.00 C ATOM 0 H ILE A 15 -7.833 33.395 -9.183 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.259 33.665 -7.541 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.439 34.773 -7.210 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.888 32.674 -5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.791 32.283 -6.874 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.199 35.497 -4.981 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.114 36.297 -6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.849 34.955 -5.373 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.663 32.137 -4.712 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.955 33.439 -5.698 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.070 33.836 -4.369 1.00 0.00 H new ATOM 249 N GLU A 16 -11.001 35.824 -8.470 1.00 0.00 N ATOM 250 CA GLU A 16 -11.487 37.082 -9.027 1.00 0.00 C ATOM 251 C GLU A 16 -12.191 37.918 -7.966 1.00 0.00 C ATOM 252 O GLU A 16 -12.932 37.389 -7.137 1.00 0.00 O ATOM 253 CB GLU A 16 -12.438 36.816 -10.196 1.00 0.00 C ATOM 254 CG GLU A 16 -11.800 36.090 -11.372 1.00 0.00 C ATOM 255 CD GLU A 16 -12.717 35.982 -12.559 1.00 0.00 C ATOM 256 OE1 GLU A 16 -13.809 36.494 -12.491 1.00 0.00 O ATOM 257 OE2 GLU A 16 -12.325 35.387 -13.535 1.00 0.00 O ATOM 0 H GLU A 16 -11.718 35.262 -8.010 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.624 37.642 -9.388 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.282 36.227 -9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.839 37.767 -10.546 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.892 36.615 -11.667 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.502 35.090 -11.057 1.00 0.00 H new ATOM 264 N THR A 17 -11.957 39.225 -7.999 1.00 0.00 N ATOM 265 CA THR A 17 -12.660 40.151 -7.119 1.00 0.00 C ATOM 266 C THR A 17 -12.841 41.511 -7.782 1.00 0.00 C ATOM 267 O THR A 17 -11.964 41.981 -8.507 1.00 0.00 O ATOM 268 CB THR A 17 -11.912 40.323 -5.784 1.00 0.00 C ATOM 269 OG1 THR A 17 -12.670 41.175 -4.914 1.00 0.00 O ATOM 270 CG2 THR A 17 -10.539 40.935 -6.016 1.00 0.00 C ATOM 0 H THR A 17 -11.285 39.668 -8.626 1.00 0.00 H new ATOM 0 HA THR A 17 -13.643 39.724 -6.920 1.00 0.00 H new ATOM 0 HB THR A 17 -11.788 39.342 -5.326 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.194 41.282 -4.064 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.025 41.049 -5.061 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.955 40.284 -6.667 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.651 41.912 -6.487 1.00 0.00 H new ATOM 278 N LYS A 18 -13.985 42.138 -7.529 1.00 0.00 N ATOM 279 CA LYS A 18 -14.335 43.389 -8.192 1.00 0.00 C ATOM 280 C LYS A 18 -13.604 44.569 -7.564 1.00 0.00 C ATOM 281 O LYS A 18 -13.305 44.562 -6.370 1.00 0.00 O ATOM 282 CB LYS A 18 -15.846 43.618 -8.140 1.00 0.00 C ATOM 283 CG LYS A 18 -16.663 42.616 -8.944 1.00 0.00 C ATOM 284 CD LYS A 18 -18.151 42.919 -8.856 1.00 0.00 C ATOM 285 CE LYS A 18 -18.971 41.905 -9.641 1.00 0.00 C ATOM 286 NZ LYS A 18 -20.431 42.170 -9.538 1.00 0.00 N ATOM 0 H LYS A 18 -14.686 41.800 -6.869 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.025 43.312 -9.234 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.171 43.582 -7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -16.062 44.622 -8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.346 42.639 -9.987 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.472 41.608 -8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -18.464 42.913 -7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.343 43.921 -9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -18.671 41.929 -10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.758 40.902 -9.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -20.953 41.457 -10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -20.723 42.122 -8.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -20.639 43.117 -9.914 1.00 0.00 H new ATOM 300 N ILE A 19 -13.318 45.581 -8.376 1.00 0.00 N ATOM 301 CA ILE A 19 -12.590 46.755 -7.909 1.00 0.00 C ATOM 302 C ILE A 19 -13.488 47.986 -7.886 1.00 0.00 C ATOM 303 O ILE A 19 -14.069 48.361 -8.904 1.00 0.00 O ATOM 304 CB ILE A 19 -11.364 47.030 -8.798 1.00 0.00 C ATOM 305 CG1 ILE A 19 -10.483 45.782 -8.893 1.00 0.00 C ATOM 306 CG2 ILE A 19 -10.568 48.208 -8.256 1.00 0.00 C ATOM 307 CD1 ILE A 19 -9.939 45.315 -7.562 1.00 0.00 C ATOM 0 H ILE A 19 -13.579 45.612 -9.361 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.254 46.546 -6.893 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.711 47.283 -9.800 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.061 44.974 -9.342 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.649 45.988 -9.564 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.705 48.389 -8.896 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.199 49.096 -8.238 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.229 47.984 -7.245 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.325 44.427 -7.711 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.333 46.105 -7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.767 45.076 -6.894 1.00 0.00 H new ATOM 319 N ASP A 20 -13.597 48.610 -6.718 1.00 0.00 N ATOM 320 CA ASP A 20 -14.433 49.794 -6.558 1.00 0.00 C ATOM 321 C ASP A 20 -13.849 50.986 -7.304 1.00 0.00 C ATOM 322 O ASP A 20 -12.645 51.045 -7.555 1.00 0.00 O ATOM 323 CB ASP A 20 -14.593 50.141 -5.076 1.00 0.00 C ATOM 324 CG ASP A 20 -15.461 49.141 -4.323 1.00 0.00 C ATOM 325 OD1 ASP A 20 -16.139 48.373 -4.963 1.00 0.00 O ATOM 326 OD2 ASP A 20 -15.437 49.156 -3.116 1.00 0.00 O ATOM 0 H ASP A 20 -13.117 48.315 -5.868 1.00 0.00 H new ATOM 0 HA ASP A 20 -15.412 49.567 -6.981 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.609 50.183 -4.610 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.031 51.135 -4.986 1.00 0.00 H new ATOM 331 N PHE A 21 -14.708 51.936 -7.658 1.00 0.00 N ATOM 332 CA PHE A 21 -14.277 53.136 -8.364 1.00 0.00 C ATOM 333 C PHE A 21 -14.653 54.394 -7.593 1.00 0.00 C ATOM 334 O PHE A 21 -15.525 54.364 -6.724 1.00 0.00 O ATOM 335 CB PHE A 21 -14.895 53.185 -9.762 1.00 0.00 C ATOM 336 CG PHE A 21 -16.393 53.303 -9.759 1.00 0.00 C ATOM 337 CD1 PHE A 21 -17.005 54.545 -9.691 1.00 0.00 C ATOM 338 CD2 PHE A 21 -17.193 52.172 -9.822 1.00 0.00 C ATOM 339 CE1 PHE A 21 -18.383 54.655 -9.688 1.00 0.00 C ATOM 340 CE2 PHE A 21 -18.570 52.278 -9.820 1.00 0.00 C ATOM 341 CZ PHE A 21 -19.165 53.522 -9.753 1.00 0.00 C ATOM 0 H PHE A 21 -15.709 51.897 -7.467 1.00 0.00 H new ATOM 0 HA PHE A 21 -13.191 53.096 -8.452 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -14.474 54.031 -10.306 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.612 52.284 -10.306 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -16.398 55.437 -9.640 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -16.733 51.196 -9.873 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -18.847 55.629 -9.635 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -19.181 51.389 -9.871 1.00 0.00 H new ATOM 0 HZ PHE A 21 -20.242 53.607 -9.752 1.00 0.00 H new ATOM 351 N GLN A 22 -13.991 55.500 -7.915 1.00 0.00 N ATOM 352 CA GLN A 22 -14.223 56.762 -7.222 1.00 0.00 C ATOM 353 C GLN A 22 -15.179 57.652 -8.006 1.00 0.00 C ATOM 354 O GLN A 22 -15.392 57.449 -9.201 1.00 0.00 O ATOM 355 CB GLN A 22 -12.900 57.495 -6.986 1.00 0.00 C ATOM 356 CG GLN A 22 -11.902 56.722 -6.142 1.00 0.00 C ATOM 357 CD GLN A 22 -12.400 56.483 -4.729 1.00 0.00 C ATOM 358 OE1 GLN A 22 -12.769 57.422 -4.019 1.00 0.00 O ATOM 359 NE2 GLN A 22 -12.414 55.222 -4.313 1.00 0.00 N ATOM 0 H GLN A 22 -13.288 55.548 -8.653 1.00 0.00 H new ATOM 0 HA GLN A 22 -14.679 56.534 -6.259 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.445 57.720 -7.951 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.107 58.449 -6.501 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.694 55.764 -6.618 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.961 57.270 -6.104 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.100 54.477 -4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.739 54.999 -3.372 1.00 0.00 H new ATOM 368 N GLU A 23 -15.752 58.640 -7.326 1.00 0.00 N ATOM 369 CA GLU A 23 -16.677 59.570 -7.960 1.00 0.00 C ATOM 370 C GLU A 23 -16.237 61.014 -7.752 1.00 0.00 C ATOM 371 O GLU A 23 -15.811 61.391 -6.661 1.00 0.00 O ATOM 372 CB GLU A 23 -18.092 59.374 -7.410 1.00 0.00 C ATOM 373 CG GLU A 23 -19.145 60.266 -8.052 1.00 0.00 C ATOM 374 CD GLU A 23 -20.532 59.998 -7.536 1.00 0.00 C ATOM 375 OE1 GLU A 23 -20.755 60.182 -6.363 1.00 0.00 O ATOM 376 OE2 GLU A 23 -21.369 59.608 -8.315 1.00 0.00 O ATOM 0 H GLU A 23 -15.591 58.817 -6.334 1.00 0.00 H new ATOM 0 HA GLU A 23 -16.676 59.362 -9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -18.382 58.332 -7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.081 59.561 -6.336 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.890 61.310 -7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.130 60.118 -9.132 1.00 0.00 H new ATOM 383 N GLU A 24 -16.341 61.817 -8.806 1.00 0.00 N ATOM 384 CA GLU A 24 -15.969 63.225 -8.736 1.00 0.00 C ATOM 385 C GLU A 24 -16.894 64.082 -9.589 1.00 0.00 C ATOM 386 O GLU A 24 -17.186 63.745 -10.737 1.00 0.00 O ATOM 387 CB GLU A 24 -14.519 63.416 -9.187 1.00 0.00 C ATOM 388 CG GLU A 24 -14.021 64.852 -9.110 1.00 0.00 C ATOM 389 CD GLU A 24 -12.570 64.988 -9.479 1.00 0.00 C ATOM 390 OE1 GLU A 24 -11.939 63.986 -9.713 1.00 0.00 O ATOM 391 OE2 GLU A 24 -12.092 66.097 -9.527 1.00 0.00 O ATOM 0 H GLU A 24 -16.680 61.516 -9.720 1.00 0.00 H new ATOM 0 HA GLU A 24 -16.066 63.544 -7.698 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.874 62.787 -8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.422 63.065 -10.214 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.620 65.475 -9.774 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.170 65.229 -8.098 1.00 0.00 H new ATOM 398 N ILE A 25 -17.353 65.193 -9.023 1.00 0.00 N ATOM 399 CA ILE A 25 -18.216 66.121 -9.744 1.00 0.00 C ATOM 400 C ILE A 25 -17.514 67.451 -9.986 1.00 0.00 C ATOM 401 O ILE A 25 -17.052 68.100 -9.048 1.00 0.00 O ATOM 402 CB ILE A 25 -19.527 66.364 -8.973 1.00 0.00 C ATOM 403 CG1 ILE A 25 -20.285 65.048 -8.781 1.00 0.00 C ATOM 404 CG2 ILE A 25 -20.392 67.379 -9.703 1.00 0.00 C ATOM 405 CD1 ILE A 25 -21.474 65.158 -7.854 1.00 0.00 C ATOM 0 H ILE A 25 -17.141 65.473 -8.065 1.00 0.00 H new ATOM 0 HA ILE A 25 -18.448 65.667 -10.707 1.00 0.00 H new ATOM 0 HB ILE A 25 -19.282 66.766 -7.990 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -20.626 64.691 -9.753 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -19.598 64.298 -8.388 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -21.314 67.539 -9.145 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -19.852 68.322 -9.790 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -20.631 67.005 -10.699 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -21.960 64.186 -7.768 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -21.139 65.484 -6.870 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -22.182 65.883 -8.255 1.00 0.00 H new ATOM 417 N GLN A 26 -17.438 67.852 -11.251 1.00 0.00 N ATOM 418 CA GLN A 26 -16.790 69.105 -11.619 1.00 0.00 C ATOM 419 C GLN A 26 -17.753 70.030 -12.351 1.00 0.00 C ATOM 420 O GLN A 26 -18.656 69.573 -13.052 1.00 0.00 O ATOM 421 CB GLN A 26 -15.560 68.835 -12.491 1.00 0.00 C ATOM 422 CG GLN A 26 -14.479 68.017 -11.806 1.00 0.00 C ATOM 423 CD GLN A 26 -13.275 67.786 -12.699 1.00 0.00 C ATOM 424 OE1 GLN A 26 -13.309 68.075 -13.899 1.00 0.00 O ATOM 425 NE2 GLN A 26 -12.200 67.264 -12.119 1.00 0.00 N ATOM 0 H GLN A 26 -17.818 67.327 -12.039 1.00 0.00 H new ATOM 0 HA GLN A 26 -16.474 69.599 -10.700 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -15.876 68.314 -13.395 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -15.135 69.788 -12.805 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -14.161 68.528 -10.897 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -14.893 67.055 -11.502 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.215 67.040 -11.124 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.359 67.087 -12.669 1.00 0.00 H new ATOM 434 N GLU A 27 -17.557 71.333 -12.184 1.00 0.00 N ATOM 435 CA GLU A 27 -18.439 72.325 -12.787 1.00 0.00 C ATOM 436 C GLU A 27 -17.965 72.708 -14.183 1.00 0.00 C ATOM 437 O GLU A 27 -16.764 72.762 -14.447 1.00 0.00 O ATOM 438 CB GLU A 27 -18.521 73.573 -11.905 1.00 0.00 C ATOM 439 CG GLU A 27 -19.217 73.354 -10.569 1.00 0.00 C ATOM 440 CD GLU A 27 -19.234 74.587 -9.710 1.00 0.00 C ATOM 441 OE1 GLU A 27 -18.430 75.459 -9.938 1.00 0.00 O ATOM 442 OE2 GLU A 27 -20.053 74.658 -8.823 1.00 0.00 O ATOM 0 H GLU A 27 -16.793 71.728 -11.635 1.00 0.00 H new ATOM 0 HA GLU A 27 -19.431 71.881 -12.871 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -17.511 73.939 -11.719 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -19.048 74.355 -12.451 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -20.242 73.028 -10.748 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.715 72.549 -10.031 1.00 0.00 H new ATOM 449 N ASN A 28 -18.915 72.973 -15.073 1.00 0.00 N ATOM 450 CA ASN A 28 -18.600 73.245 -16.471 1.00 0.00 C ATOM 451 C ASN A 28 -19.284 74.519 -16.950 1.00 0.00 C ATOM 452 O ASN A 28 -20.492 74.536 -17.185 1.00 0.00 O ATOM 453 CB ASN A 28 -18.991 72.068 -17.345 1.00 0.00 C ATOM 454 CG ASN A 28 -18.521 72.222 -18.765 1.00 0.00 C ATOM 455 OD1 ASN A 28 -18.000 73.276 -19.149 1.00 0.00 O ATOM 456 ND2 ASN A 28 -18.696 71.192 -19.553 1.00 0.00 N ATOM 0 H ASN A 28 -19.910 73.005 -14.851 1.00 0.00 H new ATOM 0 HA ASN A 28 -17.523 73.392 -16.550 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -18.573 71.153 -16.925 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -20.075 71.957 -17.335 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -18.398 71.239 -20.527 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -19.130 70.342 -19.193 1.00 0.00 H new ATOM 463 N PRO A 29 -18.503 75.585 -17.094 1.00 0.00 N ATOM 464 CA PRO A 29 -19.037 76.874 -17.518 1.00 0.00 C ATOM 465 C PRO A 29 -19.741 76.763 -18.864 1.00 0.00 C ATOM 466 O PRO A 29 -20.647 77.540 -19.167 1.00 0.00 O ATOM 467 CB PRO A 29 -17.786 77.754 -17.605 1.00 0.00 C ATOM 468 CG PRO A 29 -16.842 77.145 -16.625 1.00 0.00 C ATOM 469 CD PRO A 29 -17.071 75.662 -16.756 1.00 0.00 C ATOM 0 HA PRO A 29 -19.790 77.274 -16.839 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -17.369 77.755 -18.612 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -18.010 78.790 -17.352 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.809 77.409 -16.852 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -17.044 77.490 -15.611 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -16.447 75.223 -17.534 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -16.844 75.134 -15.830 1.00 0.00 H new ATOM 477 N ASP A 30 -19.320 75.793 -19.668 1.00 0.00 N ATOM 478 CA ASP A 30 -19.818 75.658 -21.032 1.00 0.00 C ATOM 479 C ASP A 30 -21.270 75.199 -21.044 1.00 0.00 C ATOM 480 O ASP A 30 -21.976 75.365 -22.039 1.00 0.00 O ATOM 481 CB ASP A 30 -18.957 74.669 -21.822 1.00 0.00 C ATOM 482 CG ASP A 30 -17.564 75.205 -22.122 1.00 0.00 C ATOM 483 OD1 ASP A 30 -17.366 76.391 -22.003 1.00 0.00 O ATOM 484 OD2 ASP A 30 -16.711 74.423 -22.468 1.00 0.00 O ATOM 0 H ASP A 30 -18.634 75.088 -19.398 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.761 76.639 -21.504 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -18.870 73.740 -21.259 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -19.458 74.427 -22.760 1.00 0.00 H new ATOM 489 N LEU A 31 -21.712 74.619 -19.933 1.00 0.00 N ATOM 490 CA LEU A 31 -23.084 74.141 -19.811 1.00 0.00 C ATOM 491 C LEU A 31 -23.946 75.131 -19.039 1.00 0.00 C ATOM 492 O LEU A 31 -23.447 75.881 -18.200 1.00 0.00 O ATOM 493 CB LEU A 31 -23.109 72.777 -19.110 1.00 0.00 C ATOM 494 CG LEU A 31 -22.350 71.649 -19.822 1.00 0.00 C ATOM 495 CD1 LEU A 31 -22.381 70.394 -18.961 1.00 0.00 C ATOM 496 CD2 LEU A 31 -22.979 71.394 -21.183 1.00 0.00 C ATOM 0 H LEU A 31 -21.139 74.469 -19.103 1.00 0.00 H new ATOM 0 HA LEU A 31 -23.494 74.040 -20.816 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -22.692 72.895 -18.110 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -24.148 72.471 -18.988 1.00 0.00 H new ATOM 0 HG LEU A 31 -21.310 71.937 -19.973 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -21.842 69.593 -19.466 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -21.908 70.600 -18.001 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -23.415 70.090 -18.799 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -22.440 70.593 -21.689 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -24.022 71.104 -21.053 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -22.927 72.302 -21.784 1.00 0.00 H new ATOM 508 N ALA A 32 -25.243 75.130 -19.328 1.00 0.00 N ATOM 509 CA ALA A 32 -26.181 76.011 -18.644 1.00 0.00 C ATOM 510 C ALA A 32 -26.313 75.641 -17.172 1.00 0.00 C ATOM 511 O ALA A 32 -26.227 74.468 -16.807 1.00 0.00 O ATOM 512 CB ALA A 32 -27.542 75.967 -19.324 1.00 0.00 C ATOM 0 H ALA A 32 -25.669 74.528 -20.033 1.00 0.00 H new ATOM 0 HA ALA A 32 -25.790 77.027 -18.702 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -28.231 76.630 -18.801 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -27.442 76.291 -20.360 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -27.929 74.948 -19.298 1.00 0.00 H new ATOM 518 N GLU A 33 -26.522 76.647 -16.330 1.00 0.00 N ATOM 519 CA GLU A 33 -26.561 76.443 -14.887 1.00 0.00 C ATOM 520 C GLU A 33 -27.539 75.336 -14.514 1.00 0.00 C ATOM 521 O GLU A 33 -28.724 75.406 -14.839 1.00 0.00 O ATOM 522 CB GLU A 33 -26.950 77.741 -14.175 1.00 0.00 C ATOM 523 CG GLU A 33 -26.886 77.668 -12.656 1.00 0.00 C ATOM 524 CD GLU A 33 -27.253 78.966 -11.993 1.00 0.00 C ATOM 525 OE1 GLU A 33 -27.605 79.889 -12.688 1.00 0.00 O ATOM 526 OE2 GLU A 33 -27.180 79.036 -10.788 1.00 0.00 O ATOM 0 H GLU A 33 -26.667 77.613 -16.623 1.00 0.00 H new ATOM 0 HA GLU A 33 -25.563 76.143 -14.566 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -26.292 78.540 -14.516 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -27.963 78.014 -14.471 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -27.558 76.884 -12.306 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -25.879 77.383 -12.353 1.00 0.00 H new ATOM 533 N GLY A 34 -27.036 74.315 -13.830 1.00 0.00 N ATOM 534 CA GLY A 34 -27.882 73.243 -13.318 1.00 0.00 C ATOM 535 C GLY A 34 -27.829 72.020 -14.224 1.00 0.00 C ATOM 536 O GLY A 34 -28.331 70.952 -13.871 1.00 0.00 O ATOM 0 H GLY A 34 -26.044 74.207 -13.617 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -27.559 72.969 -12.314 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -28.910 73.595 -13.237 1.00 0.00 H new ATOM 540 N THR A 35 -27.219 72.181 -15.393 1.00 0.00 N ATOM 541 CA THR A 35 -27.116 71.094 -16.360 1.00 0.00 C ATOM 542 C THR A 35 -26.268 69.951 -15.815 1.00 0.00 C ATOM 543 O THR A 35 -25.159 70.166 -15.328 1.00 0.00 O ATOM 544 CB THR A 35 -26.521 71.591 -17.691 1.00 0.00 C ATOM 545 OG1 THR A 35 -27.372 72.599 -18.250 1.00 0.00 O ATOM 546 CG2 THR A 35 -26.388 70.441 -18.677 1.00 0.00 C ATOM 0 H THR A 35 -26.788 73.055 -15.694 1.00 0.00 H new ATOM 0 HA THR A 35 -28.126 70.726 -16.541 1.00 0.00 H new ATOM 0 HB THR A 35 -25.532 72.007 -17.498 1.00 0.00 H new ATOM 0 HG1 THR A 35 -27.360 73.393 -17.676 1.00 0.00 H new ATOM 0 HG21 THR A 35 -25.966 70.810 -19.612 1.00 0.00 H new ATOM 0 HG22 THR A 35 -25.732 69.678 -18.259 1.00 0.00 H new ATOM 0 HG23 THR A 35 -27.371 70.010 -18.868 1.00 0.00 H new ATOM 554 N VAL A 36 -26.797 68.736 -15.902 1.00 0.00 N ATOM 555 CA VAL A 36 -26.065 67.549 -15.475 1.00 0.00 C ATOM 556 C VAL A 36 -25.685 66.679 -16.666 1.00 0.00 C ATOM 557 O VAL A 36 -26.550 66.196 -17.396 1.00 0.00 O ATOM 558 CB VAL A 36 -26.913 66.723 -14.490 1.00 0.00 C ATOM 559 CG1 VAL A 36 -26.169 65.463 -14.074 1.00 0.00 C ATOM 560 CG2 VAL A 36 -27.264 67.569 -13.275 1.00 0.00 C ATOM 0 H VAL A 36 -27.731 68.547 -16.265 1.00 0.00 H new ATOM 0 HA VAL A 36 -25.153 67.883 -14.981 1.00 0.00 H new ATOM 0 HB VAL A 36 -27.837 66.421 -14.984 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -26.783 64.891 -13.378 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -25.959 64.857 -14.955 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -25.231 65.737 -13.590 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -27.864 66.979 -12.582 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -26.348 67.891 -12.779 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -27.832 68.444 -13.592 1.00 0.00 H new ATOM 570 N ARG A 37 -24.385 66.482 -16.858 1.00 0.00 N ATOM 571 CA ARG A 37 -23.888 65.655 -17.951 1.00 0.00 C ATOM 572 C ARG A 37 -22.736 64.770 -17.493 1.00 0.00 C ATOM 573 O ARG A 37 -21.706 65.263 -17.034 1.00 0.00 O ATOM 574 CB ARG A 37 -23.426 66.523 -19.112 1.00 0.00 C ATOM 575 CG ARG A 37 -22.980 65.756 -20.346 1.00 0.00 C ATOM 576 CD ARG A 37 -22.707 66.665 -21.489 1.00 0.00 C ATOM 577 NE ARG A 37 -21.506 67.457 -21.277 1.00 0.00 N ATOM 578 CZ ARG A 37 -20.936 68.247 -22.208 1.00 0.00 C ATOM 579 NH1 ARG A 37 -21.468 68.339 -23.406 1.00 0.00 N ATOM 580 NH2 ARG A 37 -19.842 68.928 -21.916 1.00 0.00 N ATOM 0 H ARG A 37 -23.656 66.885 -16.270 1.00 0.00 H new ATOM 0 HA ARG A 37 -24.710 65.019 -18.279 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -24.239 67.192 -19.392 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -22.600 67.149 -18.773 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -22.082 65.183 -20.114 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -23.751 65.039 -20.627 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -22.599 66.079 -22.401 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -23.559 67.329 -21.636 1.00 0.00 H new ATOM 0 HE ARG A 37 -21.064 67.411 -20.359 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -22.312 67.813 -23.631 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -21.037 68.937 -24.111 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -19.429 68.856 -20.986 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -19.410 69.526 -22.621 1.00 0.00 H new ATOM 594 N VAL A 38 -22.916 63.460 -17.620 1.00 0.00 N ATOM 595 CA VAL A 38 -21.900 62.502 -17.200 1.00 0.00 C ATOM 596 C VAL A 38 -20.728 62.480 -18.174 1.00 0.00 C ATOM 597 O VAL A 38 -20.902 62.216 -19.363 1.00 0.00 O ATOM 598 CB VAL A 38 -22.506 61.090 -17.099 1.00 0.00 C ATOM 599 CG1 VAL A 38 -21.431 60.073 -16.743 1.00 0.00 C ATOM 600 CG2 VAL A 38 -23.622 61.078 -16.065 1.00 0.00 C ATOM 0 H VAL A 38 -23.758 63.037 -18.011 1.00 0.00 H new ATOM 0 HA VAL A 38 -21.535 62.814 -16.221 1.00 0.00 H new ATOM 0 HB VAL A 38 -22.924 60.815 -18.067 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -21.877 59.081 -16.676 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -20.660 60.073 -17.514 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -20.985 60.336 -15.784 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -24.046 60.076 -15.999 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -23.221 61.367 -15.094 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -24.400 61.782 -16.361 1.00 0.00 H new ATOM 610 N LYS A 39 -19.535 62.759 -17.661 1.00 0.00 N ATOM 611 CA LYS A 39 -18.330 62.763 -18.483 1.00 0.00 C ATOM 612 C LYS A 39 -17.732 61.366 -18.590 1.00 0.00 C ATOM 613 O LYS A 39 -17.275 60.956 -19.657 1.00 0.00 O ATOM 614 CB LYS A 39 -17.296 63.736 -17.913 1.00 0.00 C ATOM 615 CG LYS A 39 -16.011 63.833 -18.724 1.00 0.00 C ATOM 616 CD LYS A 39 -15.096 64.920 -18.180 1.00 0.00 C ATOM 617 CE LYS A 39 -13.818 65.029 -18.999 1.00 0.00 C ATOM 618 NZ LYS A 39 -12.915 66.093 -18.482 1.00 0.00 N ATOM 0 H LYS A 39 -19.376 62.986 -16.679 1.00 0.00 H new ATOM 0 HA LYS A 39 -18.610 63.091 -19.484 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -17.745 64.727 -17.846 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -17.048 63.430 -16.897 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.493 62.874 -18.704 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.251 64.044 -19.766 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.619 65.876 -18.189 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.847 64.703 -17.141 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.296 64.072 -18.986 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.070 65.240 -20.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.056 66.134 -19.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.403 67.011 -18.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.653 65.879 -17.499 1.00 0.00 H new ATOM 632 N GLN A 40 -17.738 60.639 -17.478 1.00 0.00 N ATOM 633 CA GLN A 40 -17.221 59.275 -17.452 1.00 0.00 C ATOM 634 C GLN A 40 -18.138 58.354 -16.657 1.00 0.00 C ATOM 635 O GLN A 40 -18.452 58.625 -15.498 1.00 0.00 O ATOM 636 CB GLN A 40 -15.810 59.248 -16.858 1.00 0.00 C ATOM 637 CG GLN A 40 -15.157 57.876 -16.869 1.00 0.00 C ATOM 638 CD GLN A 40 -13.707 57.922 -16.424 1.00 0.00 C ATOM 639 OE1 GLN A 40 -13.075 58.982 -16.432 1.00 0.00 O ATOM 640 NE2 GLN A 40 -13.172 56.771 -16.035 1.00 0.00 N ATOM 0 H GLN A 40 -18.095 60.971 -16.582 1.00 0.00 H new ATOM 0 HA GLN A 40 -17.181 58.915 -18.480 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -15.180 59.942 -17.414 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -15.853 59.610 -15.831 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -15.714 57.206 -16.214 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.213 57.458 -17.874 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.733 55.919 -16.045 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.200 56.739 -15.726 1.00 0.00 H new ATOM 649 N GLU A 41 -18.564 57.265 -17.286 1.00 0.00 N ATOM 650 CA GLU A 41 -19.479 56.323 -16.653 1.00 0.00 C ATOM 651 C GLU A 41 -18.774 55.510 -15.574 1.00 0.00 C ATOM 652 O GLU A 41 -17.675 54.999 -15.788 1.00 0.00 O ATOM 653 CB GLU A 41 -20.085 55.383 -17.698 1.00 0.00 C ATOM 654 CG GLU A 41 -21.156 54.447 -17.156 1.00 0.00 C ATOM 655 CD GLU A 41 -21.780 53.592 -18.224 1.00 0.00 C ATOM 656 OE1 GLU A 41 -21.331 53.651 -19.343 1.00 0.00 O ATOM 657 OE2 GLU A 41 -22.707 52.878 -17.919 1.00 0.00 O ATOM 0 H GLU A 41 -18.290 57.012 -18.235 1.00 0.00 H new ATOM 0 HA GLU A 41 -20.276 56.899 -16.183 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -20.515 55.981 -18.501 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -19.287 54.786 -18.138 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.717 53.804 -16.393 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -21.933 55.036 -16.669 1.00 0.00 H new ATOM 664 N GLY A 42 -19.413 55.396 -14.415 1.00 0.00 N ATOM 665 CA GLY A 42 -18.860 54.622 -13.309 1.00 0.00 C ATOM 666 C GLY A 42 -18.976 53.126 -13.571 1.00 0.00 C ATOM 667 O GLY A 42 -20.075 52.602 -13.754 1.00 0.00 O ATOM 0 H GLY A 42 -20.315 55.830 -14.217 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -17.813 54.888 -13.163 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -19.384 54.874 -12.387 1.00 0.00 H new ATOM 671 N LYS A 43 -17.836 52.444 -13.587 1.00 0.00 N ATOM 672 CA LYS A 43 -17.811 50.999 -13.787 1.00 0.00 C ATOM 673 C LYS A 43 -16.831 50.329 -12.834 1.00 0.00 C ATOM 674 O LYS A 43 -15.792 50.896 -12.495 1.00 0.00 O ATOM 675 CB LYS A 43 -17.449 50.665 -15.235 1.00 0.00 C ATOM 676 CG LYS A 43 -18.438 51.188 -16.268 1.00 0.00 C ATOM 677 CD LYS A 43 -18.045 50.764 -17.675 1.00 0.00 C ATOM 678 CE LYS A 43 -19.018 51.307 -18.710 1.00 0.00 C ATOM 679 NZ LYS A 43 -18.649 50.894 -20.091 1.00 0.00 N ATOM 0 H LYS A 43 -16.917 52.868 -13.464 1.00 0.00 H new ATOM 0 HA LYS A 43 -18.809 50.615 -13.575 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.463 51.075 -15.454 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.374 49.582 -15.337 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -19.437 50.816 -16.039 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -18.483 52.276 -16.213 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -17.039 51.121 -17.897 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -18.018 49.676 -17.735 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -20.024 50.954 -18.482 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -19.041 52.395 -18.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -19.337 51.285 -20.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -17.699 51.252 -20.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -18.652 49.856 -20.155 1.00 0.00 H new ATOM 693 N LEU A 44 -17.167 49.118 -12.403 1.00 0.00 N ATOM 694 CA LEU A 44 -16.295 48.348 -11.524 1.00 0.00 C ATOM 695 C LEU A 44 -15.211 47.628 -12.316 1.00 0.00 C ATOM 696 O LEU A 44 -15.431 47.216 -13.454 1.00 0.00 O ATOM 697 CB LEU A 44 -17.115 47.328 -10.724 1.00 0.00 C ATOM 698 CG LEU A 44 -18.137 47.917 -9.744 1.00 0.00 C ATOM 699 CD1 LEU A 44 -19.025 46.804 -9.205 1.00 0.00 C ATOM 700 CD2 LEU A 44 -17.406 48.628 -8.615 1.00 0.00 C ATOM 0 H LEU A 44 -18.038 48.648 -12.649 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.814 49.044 -10.837 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.643 46.683 -11.426 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -16.426 46.694 -10.165 1.00 0.00 H new ATOM 0 HG LEU A 44 -18.769 48.643 -10.256 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -19.751 47.223 -8.508 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -19.550 46.325 -10.031 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.411 46.066 -8.689 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -18.132 49.047 -7.918 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -16.768 47.917 -8.090 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -16.794 49.430 -9.027 1.00 0.00 H new ATOM 712 N GLY A 45 -14.039 47.481 -11.706 1.00 0.00 N ATOM 713 CA GLY A 45 -12.970 46.676 -12.286 1.00 0.00 C ATOM 714 C GLY A 45 -13.016 45.244 -11.769 1.00 0.00 C ATOM 715 O GLY A 45 -14.042 44.789 -11.265 1.00 0.00 O ATOM 0 H GLY A 45 -13.806 47.909 -10.810 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -13.060 46.676 -13.372 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.005 47.121 -12.046 1.00 0.00 H new ATOM 719 N LYS A 46 -11.897 44.538 -11.897 1.00 0.00 N ATOM 720 CA LYS A 46 -11.792 43.173 -11.397 1.00 0.00 C ATOM 721 C LYS A 46 -10.347 42.690 -11.415 1.00 0.00 C ATOM 722 O LYS A 46 -9.702 42.671 -12.463 1.00 0.00 O ATOM 723 CB LYS A 46 -12.672 42.231 -12.221 1.00 0.00 C ATOM 724 CG LYS A 46 -12.674 40.787 -11.735 1.00 0.00 C ATOM 725 CD LYS A 46 -13.776 39.981 -12.407 1.00 0.00 C ATOM 726 CE LYS A 46 -13.397 39.603 -13.831 1.00 0.00 C ATOM 727 NZ LYS A 46 -14.324 38.590 -14.404 1.00 0.00 N ATOM 0 H LYS A 46 -11.050 44.890 -12.343 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.140 43.169 -10.364 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -13.695 42.607 -12.210 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -12.335 42.252 -13.257 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.707 40.329 -11.943 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.811 40.765 -10.654 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -13.972 39.078 -11.829 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.699 40.561 -12.416 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -13.403 40.495 -14.457 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.380 39.212 -13.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -14.051 38.386 -15.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -14.274 37.716 -13.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -15.296 38.959 -14.385 1.00 0.00 H new ATOM 741 N LYS A 47 -9.845 42.300 -10.248 1.00 0.00 N ATOM 742 CA LYS A 47 -8.525 41.689 -10.149 1.00 0.00 C ATOM 743 C LYS A 47 -8.596 40.183 -10.368 1.00 0.00 C ATOM 744 O LYS A 47 -9.384 39.490 -9.725 1.00 0.00 O ATOM 745 CB LYS A 47 -7.895 41.993 -8.788 1.00 0.00 C ATOM 746 CG LYS A 47 -6.519 41.375 -8.580 1.00 0.00 C ATOM 747 CD LYS A 47 -5.950 41.739 -7.216 1.00 0.00 C ATOM 748 CE LYS A 47 -4.616 41.050 -6.970 1.00 0.00 C ATOM 749 NZ LYS A 47 -4.067 41.365 -5.624 1.00 0.00 N ATOM 0 H LYS A 47 -10.333 42.396 -9.357 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.900 42.118 -10.933 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.816 43.074 -8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.563 41.636 -8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.587 40.291 -8.670 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.842 41.718 -9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.821 42.819 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.657 41.455 -6.437 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.741 39.972 -7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.902 41.358 -7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.158 40.876 -5.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.923 42.391 -5.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.736 41.048 -4.893 1.00 0.00 H new ATOM 763 N VAL A 48 -7.770 39.683 -11.280 1.00 0.00 N ATOM 764 CA VAL A 48 -7.712 38.254 -11.560 1.00 0.00 C ATOM 765 C VAL A 48 -6.362 37.670 -11.167 1.00 0.00 C ATOM 766 O VAL A 48 -5.316 38.155 -11.598 1.00 0.00 O ATOM 767 CB VAL A 48 -7.966 37.992 -13.057 1.00 0.00 C ATOM 768 CG1 VAL A 48 -7.900 36.501 -13.355 1.00 0.00 C ATOM 769 CG2 VAL A 48 -9.316 38.564 -13.461 1.00 0.00 C ATOM 0 H VAL A 48 -7.130 40.248 -11.839 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.487 37.769 -10.967 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.190 38.487 -13.640 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.082 36.334 -14.417 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.913 36.121 -13.091 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.658 35.979 -12.771 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.489 38.375 -14.521 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.103 38.089 -12.875 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.325 39.638 -13.278 1.00 0.00 H new ATOM 779 N GLU A 49 -6.391 36.624 -10.348 1.00 0.00 N ATOM 780 CA GLU A 49 -5.168 35.970 -9.896 1.00 0.00 C ATOM 781 C GLU A 49 -5.329 34.456 -9.874 1.00 0.00 C ATOM 782 O GLU A 49 -6.106 33.916 -9.086 1.00 0.00 O ATOM 783 CB GLU A 49 -4.778 36.472 -8.504 1.00 0.00 C ATOM 784 CG GLU A 49 -3.476 35.892 -7.969 1.00 0.00 C ATOM 785 CD GLU A 49 -3.079 36.474 -6.641 1.00 0.00 C ATOM 786 OE1 GLU A 49 -3.708 37.410 -6.212 1.00 0.00 O ATOM 787 OE2 GLU A 49 -2.143 35.981 -6.055 1.00 0.00 O ATOM 0 H GLU A 49 -7.249 36.210 -9.983 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.376 36.220 -10.602 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.693 37.558 -8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.581 36.234 -7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.579 34.811 -7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.680 36.072 -8.692 1.00 0.00 H new ATOM 794 N ILE A 50 -4.592 33.775 -10.744 1.00 0.00 N ATOM 795 CA ILE A 50 -4.630 32.318 -10.806 1.00 0.00 C ATOM 796 C ILE A 50 -3.462 31.704 -10.045 1.00 0.00 C ATOM 797 O ILE A 50 -2.301 32.009 -10.317 1.00 0.00 O ATOM 798 CB ILE A 50 -4.606 31.830 -12.266 1.00 0.00 C ATOM 799 CG1 ILE A 50 -5.802 32.393 -13.037 1.00 0.00 C ATOM 800 CG2 ILE A 50 -4.602 30.310 -12.318 1.00 0.00 C ATOM 801 CD1 ILE A 50 -5.726 32.171 -14.530 1.00 0.00 C ATOM 0 H ILE A 50 -3.960 34.209 -11.417 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.561 31.997 -10.338 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.692 32.192 -12.738 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.715 31.935 -12.657 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.877 33.463 -12.842 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.585 29.982 -13.357 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.719 29.931 -11.803 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.499 29.927 -11.831 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.609 32.598 -15.007 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.832 32.653 -14.924 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.683 31.102 -14.737 1.00 0.00 H new ATOM 813 N VAL A 51 -3.777 30.836 -9.089 1.00 0.00 N ATOM 814 CA VAL A 51 -2.764 30.265 -8.209 1.00 0.00 C ATOM 815 C VAL A 51 -2.769 28.743 -8.279 1.00 0.00 C ATOM 816 O VAL A 51 -3.823 28.112 -8.203 1.00 0.00 O ATOM 817 CB VAL A 51 -3.008 30.710 -6.755 1.00 0.00 C ATOM 818 CG1 VAL A 51 -1.984 30.075 -5.825 1.00 0.00 C ATOM 819 CG2 VAL A 51 -2.954 32.227 -6.662 1.00 0.00 C ATOM 0 H VAL A 51 -4.726 30.513 -8.904 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.792 30.627 -8.544 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.998 30.377 -6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.171 30.400 -4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.065 28.989 -5.881 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.981 30.380 -6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.127 32.535 -5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.973 32.577 -6.985 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.722 32.658 -7.303 1.00 0.00 H new ATOM 829 N ARG A 52 -1.584 28.159 -8.424 1.00 0.00 N ATOM 830 CA ARG A 52 -1.442 26.708 -8.443 1.00 0.00 C ATOM 831 C ARG A 52 -1.158 26.164 -7.048 1.00 0.00 C ATOM 832 O ARG A 52 -0.219 26.599 -6.381 1.00 0.00 O ATOM 833 CB ARG A 52 -0.322 26.292 -9.384 1.00 0.00 C ATOM 834 CG ARG A 52 -0.106 24.791 -9.497 1.00 0.00 C ATOM 835 CD ARG A 52 1.015 24.465 -10.415 1.00 0.00 C ATOM 836 NE ARG A 52 0.698 24.792 -11.796 1.00 0.00 N ATOM 837 CZ ARG A 52 1.590 24.793 -12.806 1.00 0.00 C ATOM 838 NH1 ARG A 52 2.846 24.484 -12.574 1.00 0.00 N ATOM 839 NH2 ARG A 52 1.202 25.106 -14.030 1.00 0.00 N ATOM 0 H ARG A 52 -0.707 28.669 -8.530 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.385 26.291 -8.797 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.534 26.690 -10.376 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.606 26.754 -9.047 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.100 24.378 -8.510 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.020 24.318 -9.856 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.906 25.012 -10.108 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.250 23.403 -10.338 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.267 25.038 -12.016 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.146 24.243 -11.629 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.521 24.485 -13.339 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.227 25.347 -14.210 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.877 25.107 -14.795 1.00 0.00 H new ATOM 853 N ILE A 53 -1.975 25.211 -6.613 1.00 0.00 N ATOM 854 CA ILE A 53 -1.819 24.612 -5.293 1.00 0.00 C ATOM 855 C ILE A 53 -1.150 23.246 -5.384 1.00 0.00 C ATOM 856 O ILE A 53 -1.701 22.312 -5.968 1.00 0.00 O ATOM 857 CB ILE A 53 -3.180 24.472 -4.588 1.00 0.00 C ATOM 858 CG1 ILE A 53 -3.851 25.841 -4.446 1.00 0.00 C ATOM 859 CG2 ILE A 53 -3.009 23.816 -3.226 1.00 0.00 C ATOM 860 CD1 ILE A 53 -5.291 25.771 -3.990 1.00 0.00 C ATOM 0 H ILE A 53 -2.753 24.836 -7.156 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.183 25.276 -4.709 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.822 23.835 -5.197 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.283 26.441 -3.735 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.808 26.357 -5.405 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.981 23.725 -2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.572 22.825 -3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.351 24.427 -2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.698 26.779 -3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.874 25.199 -4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.341 25.284 -3.016 1.00 0.00 H new ATOM 872 N PHE A 54 0.040 23.135 -4.803 1.00 0.00 N ATOM 873 CA PHE A 54 0.800 21.892 -4.846 1.00 0.00 C ATOM 874 C PHE A 54 0.536 21.042 -3.609 1.00 0.00 C ATOM 875 O PHE A 54 0.771 21.478 -2.483 1.00 0.00 O ATOM 876 CB PHE A 54 2.297 22.185 -4.959 1.00 0.00 C ATOM 877 CG PHE A 54 3.152 20.952 -5.034 1.00 0.00 C ATOM 878 CD1 PHE A 54 2.823 19.914 -5.893 1.00 0.00 C ATOM 879 CD2 PHE A 54 4.285 20.826 -4.245 1.00 0.00 C ATOM 880 CE1 PHE A 54 3.609 18.779 -5.963 1.00 0.00 C ATOM 881 CE2 PHE A 54 5.073 19.694 -4.313 1.00 0.00 C ATOM 882 CZ PHE A 54 4.734 18.669 -5.173 1.00 0.00 C ATOM 0 H PHE A 54 0.499 23.892 -4.296 1.00 0.00 H new ATOM 0 HA PHE A 54 0.475 21.335 -5.725 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.473 22.792 -5.847 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.607 22.779 -4.100 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.943 19.993 -6.514 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.555 21.623 -3.568 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.342 17.978 -6.637 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.954 19.611 -3.694 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.349 17.783 -5.227 1.00 0.00 H new ATOM 892 N SER A 55 0.045 19.827 -3.827 1.00 0.00 N ATOM 893 CA SER A 55 -0.227 18.903 -2.732 1.00 0.00 C ATOM 894 C SER A 55 0.374 17.531 -3.007 1.00 0.00 C ATOM 895 O SER A 55 0.385 17.064 -4.146 1.00 0.00 O ATOM 896 CB SER A 55 -1.722 18.776 -2.516 1.00 0.00 C ATOM 897 OG SER A 55 -2.010 17.792 -1.561 1.00 0.00 O ATOM 0 H SER A 55 -0.173 19.459 -4.753 1.00 0.00 H new ATOM 0 HA SER A 55 0.236 19.304 -1.830 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.129 19.734 -2.191 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.209 18.527 -3.459 1.00 0.00 H new ATOM 0 HG SER A 55 -2.980 17.730 -1.438 1.00 0.00 H new ATOM 903 N VAL A 56 0.874 16.888 -1.957 1.00 0.00 N ATOM 904 CA VAL A 56 1.479 15.568 -2.083 1.00 0.00 C ATOM 905 C VAL A 56 0.834 14.572 -1.128 1.00 0.00 C ATOM 906 O VAL A 56 0.758 14.813 0.077 1.00 0.00 O ATOM 907 CB VAL A 56 2.991 15.644 -1.797 1.00 0.00 C ATOM 908 CG1 VAL A 56 3.618 14.259 -1.875 1.00 0.00 C ATOM 909 CG2 VAL A 56 3.657 16.594 -2.781 1.00 0.00 C ATOM 0 H VAL A 56 0.872 17.261 -1.008 1.00 0.00 H new ATOM 0 HA VAL A 56 1.317 15.226 -3.105 1.00 0.00 H new ATOM 0 HB VAL A 56 3.141 16.026 -0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.686 14.331 -1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.151 13.606 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.467 13.847 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.726 16.643 -2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.501 16.233 -3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.222 17.588 -2.679 1.00 0.00 H new ATOM 919 N ASN A 57 0.370 13.453 -1.673 1.00 0.00 N ATOM 920 CA ASN A 57 -0.317 12.442 -0.879 1.00 0.00 C ATOM 921 C ASN A 57 -1.505 13.039 -0.136 1.00 0.00 C ATOM 922 O ASN A 57 -1.714 12.761 1.045 1.00 0.00 O ATOM 923 CB ASN A 57 0.644 11.782 0.093 1.00 0.00 C ATOM 924 CG ASN A 57 1.720 10.995 -0.603 1.00 0.00 C ATOM 925 OD1 ASN A 57 1.481 10.386 -1.652 1.00 0.00 O ATOM 926 ND2 ASN A 57 2.901 10.996 -0.040 1.00 0.00 N ATOM 0 H ASN A 57 0.457 13.223 -2.663 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.696 11.681 -1.561 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.105 12.547 0.718 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.087 11.121 0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.670 10.480 -0.467 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.053 11.513 0.826 1.00 0.00 H new ATOM 933 N LYS A 58 -2.281 13.861 -0.834 1.00 0.00 N ATOM 934 CA LYS A 58 -3.428 14.529 -0.231 1.00 0.00 C ATOM 935 C LYS A 58 -3.006 15.376 0.963 1.00 0.00 C ATOM 936 O LYS A 58 -3.645 15.344 2.015 1.00 0.00 O ATOM 937 CB LYS A 58 -4.481 13.506 0.196 1.00 0.00 C ATOM 938 CG LYS A 58 -5.037 12.662 -0.943 1.00 0.00 C ATOM 939 CD LYS A 58 -6.108 11.701 -0.449 1.00 0.00 C ATOM 940 CE LYS A 58 -6.737 10.931 -1.600 1.00 0.00 C ATOM 941 NZ LYS A 58 -5.773 9.990 -2.233 1.00 0.00 N ATOM 0 H LYS A 58 -2.136 14.081 -1.819 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.862 15.190 -0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.044 12.843 0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.305 14.031 0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.456 13.313 -1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.228 12.100 -1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.670 11.001 0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.880 12.257 0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.600 10.375 -1.235 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.103 11.633 -2.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.263 9.425 -2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.003 10.529 -2.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.378 9.357 -1.508 1.00 0.00 H new ATOM 955 N GLU A 59 -1.928 16.133 0.793 1.00 0.00 N ATOM 956 CA GLU A 59 -1.465 17.051 1.828 1.00 0.00 C ATOM 957 C GLU A 59 -0.852 18.305 1.218 1.00 0.00 C ATOM 958 O GLU A 59 0.145 18.234 0.500 1.00 0.00 O ATOM 959 CB GLU A 59 -0.444 16.361 2.735 1.00 0.00 C ATOM 960 CG GLU A 59 0.058 17.221 3.886 1.00 0.00 C ATOM 961 CD GLU A 59 1.003 16.487 4.796 1.00 0.00 C ATOM 962 OE1 GLU A 59 1.257 15.332 4.551 1.00 0.00 O ATOM 963 OE2 GLU A 59 1.472 17.083 5.737 1.00 0.00 O ATOM 0 H GLU A 59 -1.357 16.129 -0.053 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.330 17.346 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.893 15.455 3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.409 16.050 2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.559 18.101 3.483 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.794 17.577 4.466 1.00 0.00 H new ATOM 970 N GLU A 60 -1.454 19.453 1.509 1.00 0.00 N ATOM 971 CA GLU A 60 -1.018 20.716 0.926 1.00 0.00 C ATOM 972 C GLU A 60 0.430 21.019 1.289 1.00 0.00 C ATOM 973 O GLU A 60 0.804 20.994 2.461 1.00 0.00 O ATOM 974 CB GLU A 60 -1.921 21.860 1.393 1.00 0.00 C ATOM 975 CG GLU A 60 -1.640 23.197 0.722 1.00 0.00 C ATOM 976 CD GLU A 60 -2.609 24.271 1.130 1.00 0.00 C ATOM 977 OE1 GLU A 60 -3.417 24.020 1.991 1.00 0.00 O ATOM 978 OE2 GLU A 60 -2.542 25.344 0.578 1.00 0.00 O ATOM 0 H GLU A 60 -2.246 19.535 2.146 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.089 20.624 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.960 21.586 1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.810 21.978 2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.627 23.516 0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.680 23.070 -0.360 1.00 0.00 H new ATOM 985 N VAL A 61 1.242 21.305 0.276 1.00 0.00 N ATOM 986 CA VAL A 61 2.658 21.583 0.484 1.00 0.00 C ATOM 987 C VAL A 61 2.958 23.067 0.318 1.00 0.00 C ATOM 988 O VAL A 61 3.490 23.708 1.224 1.00 0.00 O ATOM 989 CB VAL A 61 3.512 20.774 -0.510 1.00 0.00 C ATOM 990 CG1 VAL A 61 4.984 21.129 -0.359 1.00 0.00 C ATOM 991 CG2 VAL A 61 3.291 19.286 -0.292 1.00 0.00 C ATOM 0 H VAL A 61 0.943 21.350 -0.698 1.00 0.00 H new ATOM 0 HA VAL A 61 2.908 21.289 1.504 1.00 0.00 H new ATOM 0 HB VAL A 61 3.206 21.026 -1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.573 20.548 -1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.124 22.192 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.311 20.901 0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.898 18.721 -0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.577 19.021 0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.239 19.048 -0.446 1.00 0.00 H new ATOM 1001 N SER A 62 2.615 23.608 -0.846 1.00 0.00 N ATOM 1002 CA SER A 62 2.913 25.000 -1.162 1.00 0.00 C ATOM 1003 C SER A 62 2.064 25.495 -2.325 1.00 0.00 C ATOM 1004 O SER A 62 1.322 24.727 -2.936 1.00 0.00 O ATOM 1005 CB SER A 62 4.384 25.155 -1.496 1.00 0.00 C ATOM 1006 OG SER A 62 4.687 24.552 -2.724 1.00 0.00 O ATOM 0 H SER A 62 2.130 23.103 -1.587 1.00 0.00 H new ATOM 0 HA SER A 62 2.675 25.602 -0.285 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.642 26.213 -1.533 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.989 24.707 -0.708 1.00 0.00 H new ATOM 0 HG SER A 62 5.641 24.667 -2.918 1.00 0.00 H new ATOM 1012 N ARG A 63 2.177 26.784 -2.627 1.00 0.00 N ATOM 1013 CA ARG A 63 1.422 27.385 -3.720 1.00 0.00 C ATOM 1014 C ARG A 63 2.306 28.287 -4.571 1.00 0.00 C ATOM 1015 O ARG A 63 3.311 28.815 -4.095 1.00 0.00 O ATOM 1016 CB ARG A 63 0.250 28.191 -3.181 1.00 0.00 C ATOM 1017 CG ARG A 63 -0.745 27.397 -2.349 1.00 0.00 C ATOM 1018 CD ARG A 63 -1.911 28.225 -1.949 1.00 0.00 C ATOM 1019 NE ARG A 63 -2.777 27.526 -1.013 1.00 0.00 N ATOM 1020 CZ ARG A 63 -3.986 27.966 -0.614 1.00 0.00 C ATOM 1021 NH1 ARG A 63 -4.458 29.102 -1.078 1.00 0.00 N ATOM 1022 NH2 ARG A 63 -4.699 27.256 0.243 1.00 0.00 N ATOM 0 H ARG A 63 2.786 27.434 -2.129 1.00 0.00 H new ATOM 0 HA ARG A 63 1.047 26.573 -4.343 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.639 29.008 -2.574 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.279 28.642 -4.021 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.090 26.534 -2.919 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.249 27.012 -1.458 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.560 29.152 -1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.482 28.500 -2.836 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.446 26.640 -0.632 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.909 29.650 -1.740 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.373 29.435 -0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.334 26.374 0.603 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.614 27.590 0.545 1.00 0.00 H new ATOM 1036 N GLU A 64 1.927 28.459 -5.833 1.00 0.00 N ATOM 1037 CA GLU A 64 2.660 29.333 -6.741 1.00 0.00 C ATOM 1038 C GLU A 64 1.717 30.036 -7.709 1.00 0.00 C ATOM 1039 O GLU A 64 0.851 29.406 -8.315 1.00 0.00 O ATOM 1040 CB GLU A 64 3.706 28.535 -7.521 1.00 0.00 C ATOM 1041 CG GLU A 64 4.573 29.374 -8.450 1.00 0.00 C ATOM 1042 CD GLU A 64 5.629 28.567 -9.152 1.00 0.00 C ATOM 1043 OE1 GLU A 64 5.667 27.376 -8.958 1.00 0.00 O ATOM 1044 OE2 GLU A 64 6.399 29.142 -9.885 1.00 0.00 O ATOM 0 H GLU A 64 1.115 28.004 -6.250 1.00 0.00 H new ATOM 0 HA GLU A 64 3.163 30.091 -6.141 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.351 28.015 -6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.198 27.771 -8.109 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.939 29.857 -9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.051 30.167 -7.875 1.00 0.00 H new ATOM 1051 N ILE A 65 1.891 31.346 -7.850 1.00 0.00 N ATOM 1052 CA ILE A 65 1.007 32.150 -8.685 1.00 0.00 C ATOM 1053 C ILE A 65 1.251 31.880 -10.164 1.00 0.00 C ATOM 1054 O ILE A 65 2.365 32.046 -10.661 1.00 0.00 O ATOM 1055 CB ILE A 65 1.197 33.651 -8.399 1.00 0.00 C ATOM 1056 CG1 ILE A 65 0.827 33.969 -6.948 1.00 0.00 C ATOM 1057 CG2 ILE A 65 0.364 34.485 -9.360 1.00 0.00 C ATOM 1058 CD1 ILE A 65 1.216 35.363 -6.510 1.00 0.00 C ATOM 0 H ILE A 65 2.637 31.873 -7.396 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.017 31.867 -8.441 1.00 0.00 H new ATOM 0 HB ILE A 65 2.247 33.903 -8.549 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.249 33.846 -6.822 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.310 33.244 -6.293 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.510 35.543 -9.144 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.674 34.278 -10.384 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.690 34.233 -9.242 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.921 35.514 -5.471 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.295 35.486 -6.603 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.712 36.096 -7.140 1.00 0.00 H new ATOM 1070 N VAL A 66 0.202 31.462 -10.865 1.00 0.00 N ATOM 1071 CA VAL A 66 0.303 31.153 -12.286 1.00 0.00 C ATOM 1072 C VAL A 66 0.250 32.420 -13.130 1.00 0.00 C ATOM 1073 O VAL A 66 1.110 32.646 -13.982 1.00 0.00 O ATOM 1074 CB VAL A 66 -0.837 30.209 -12.710 1.00 0.00 C ATOM 1075 CG1 VAL A 66 -0.824 30.000 -14.217 1.00 0.00 C ATOM 1076 CG2 VAL A 66 -0.708 28.880 -11.981 1.00 0.00 C ATOM 0 H VAL A 66 -0.729 31.329 -10.471 1.00 0.00 H new ATOM 0 HA VAL A 66 1.263 30.664 -12.451 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.790 30.664 -12.440 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.637 29.330 -14.498 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.954 30.959 -14.718 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.128 29.561 -14.515 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.518 28.218 -12.286 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.249 28.421 -12.228 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.763 29.048 -10.905 1.00 0.00 H new ATOM 1086 N SER A 67 -0.764 33.244 -12.889 1.00 0.00 N ATOM 1087 CA SER A 67 -0.996 34.431 -13.702 1.00 0.00 C ATOM 1088 C SER A 67 -1.718 35.511 -12.906 1.00 0.00 C ATOM 1089 O SER A 67 -2.594 35.215 -12.093 1.00 0.00 O ATOM 1090 CB SER A 67 -1.805 34.072 -14.933 1.00 0.00 C ATOM 1091 OG SER A 67 -2.050 35.204 -15.721 1.00 0.00 O ATOM 0 H SER A 67 -1.439 33.111 -12.136 1.00 0.00 H new ATOM 0 HA SER A 67 -0.026 34.823 -14.009 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.269 33.325 -15.519 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.751 33.622 -14.632 1.00 0.00 H new ATOM 0 HG SER A 67 -2.572 34.947 -16.510 1.00 0.00 H new ATOM 1097 N THR A 68 -1.346 36.764 -13.145 1.00 0.00 N ATOM 1098 CA THR A 68 -2.000 37.894 -12.496 1.00 0.00 C ATOM 1099 C THR A 68 -2.338 38.987 -13.503 1.00 0.00 C ATOM 1100 O THR A 68 -1.508 39.357 -14.333 1.00 0.00 O ATOM 1101 CB THR A 68 -1.117 38.477 -11.377 1.00 0.00 C ATOM 1102 OG1 THR A 68 -0.836 37.459 -10.407 1.00 0.00 O ATOM 1103 CG2 THR A 68 -1.820 39.641 -10.695 1.00 0.00 C ATOM 0 H THR A 68 -0.594 37.023 -13.784 1.00 0.00 H new ATOM 0 HA THR A 68 -2.926 37.523 -12.057 1.00 0.00 H new ATOM 0 HB THR A 68 -0.187 38.835 -11.818 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.273 37.831 -9.696 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.181 40.041 -9.907 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.025 40.422 -11.427 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.758 39.296 -10.261 1.00 0.00 H new ATOM 1111 N SER A 69 -3.561 39.499 -13.423 1.00 0.00 N ATOM 1112 CA SER A 69 -4.001 40.573 -14.306 1.00 0.00 C ATOM 1113 C SER A 69 -5.181 41.328 -13.709 1.00 0.00 C ATOM 1114 O SER A 69 -6.223 40.741 -13.417 1.00 0.00 O ATOM 1115 CB SER A 69 -4.382 40.011 -15.662 1.00 0.00 C ATOM 1116 OG SER A 69 -4.851 41.023 -16.510 1.00 0.00 O ATOM 0 H SER A 69 -4.266 39.187 -12.755 1.00 0.00 H new ATOM 0 HA SER A 69 -3.173 41.272 -14.424 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.518 39.524 -16.114 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.151 39.248 -15.541 1.00 0.00 H new ATOM 0 HG SER A 69 -5.089 40.637 -17.379 1.00 0.00 H new ATOM 1122 N THR A 70 -5.012 42.634 -13.529 1.00 0.00 N ATOM 1123 CA THR A 70 -6.034 43.459 -12.897 1.00 0.00 C ATOM 1124 C THR A 70 -6.701 44.382 -13.909 1.00 0.00 C ATOM 1125 O THR A 70 -6.027 45.120 -14.629 1.00 0.00 O ATOM 1126 CB THR A 70 -5.440 44.295 -11.748 1.00 0.00 C ATOM 1127 OG1 THR A 70 -4.870 43.421 -10.764 1.00 0.00 O ATOM 1128 CG2 THR A 70 -6.517 45.150 -11.099 1.00 0.00 C ATOM 0 H THR A 70 -4.175 43.144 -13.813 1.00 0.00 H new ATOM 0 HA THR A 70 -6.786 42.784 -12.489 1.00 0.00 H new ATOM 0 HB THR A 70 -4.668 44.949 -12.154 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.491 43.953 -10.034 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.079 45.734 -10.289 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.944 45.823 -11.842 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.301 44.506 -10.700 1.00 0.00 H new ATOM 1136 N THR A 71 -8.028 44.337 -13.960 1.00 0.00 N ATOM 1137 CA THR A 71 -8.795 45.262 -14.786 1.00 0.00 C ATOM 1138 C THR A 71 -9.116 46.543 -14.026 1.00 0.00 C ATOM 1139 O THR A 71 -9.768 46.510 -12.983 1.00 0.00 O ATOM 1140 CB THR A 71 -10.101 44.612 -15.278 1.00 0.00 C ATOM 1141 OG1 THR A 71 -9.794 43.471 -16.090 1.00 0.00 O ATOM 1142 CG2 THR A 71 -10.916 45.604 -16.093 1.00 0.00 C ATOM 0 H THR A 71 -8.595 43.669 -13.438 1.00 0.00 H new ATOM 0 HA THR A 71 -8.178 45.512 -15.649 1.00 0.00 H new ATOM 0 HB THR A 71 -10.684 44.303 -14.411 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.626 43.057 -16.401 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.836 45.127 -16.433 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.162 46.468 -15.475 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.336 45.929 -16.956 1.00 0.00 H new ATOM 1150 N ALA A 72 -8.652 47.670 -14.556 1.00 0.00 N ATOM 1151 CA ALA A 72 -8.806 48.953 -13.880 1.00 0.00 C ATOM 1152 C ALA A 72 -10.266 49.388 -13.849 1.00 0.00 C ATOM 1153 O ALA A 72 -11.000 49.199 -14.819 1.00 0.00 O ATOM 1154 CB ALA A 72 -7.952 50.014 -14.559 1.00 0.00 C ATOM 0 H ALA A 72 -8.166 47.721 -15.451 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.469 48.834 -12.850 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.077 50.966 -14.044 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.904 49.716 -14.522 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.262 50.120 -15.598 1.00 0.00 H new ATOM 1160 N PRO A 73 -10.680 49.971 -12.730 1.00 0.00 N ATOM 1161 CA PRO A 73 -12.037 50.488 -12.592 1.00 0.00 C ATOM 1162 C PRO A 73 -12.206 51.799 -13.349 1.00 0.00 C ATOM 1163 O PRO A 73 -11.229 52.393 -13.807 1.00 0.00 O ATOM 1164 CB PRO A 73 -12.178 50.686 -11.080 1.00 0.00 C ATOM 1165 CG PRO A 73 -10.800 51.030 -10.626 1.00 0.00 C ATOM 1166 CD PRO A 73 -9.901 50.169 -11.473 1.00 0.00 C ATOM 0 HA PRO A 73 -12.796 49.824 -13.005 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.885 51.483 -10.847 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.544 49.782 -10.592 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.587 52.089 -10.770 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.667 50.820 -9.565 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.946 50.657 -11.667 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.680 49.220 -10.985 1.00 0.00 H new ATOM 1174 N SER A 74 -13.450 52.246 -13.477 1.00 0.00 N ATOM 1175 CA SER A 74 -13.746 53.507 -14.147 1.00 0.00 C ATOM 1176 C SER A 74 -14.449 54.478 -13.207 1.00 0.00 C ATOM 1177 O SER A 74 -15.665 54.409 -13.024 1.00 0.00 O ATOM 1178 CB SER A 74 -14.608 53.259 -15.369 1.00 0.00 C ATOM 1179 OG SER A 74 -14.951 54.465 -15.995 1.00 0.00 O ATOM 0 H SER A 74 -14.271 51.753 -13.125 1.00 0.00 H new ATOM 0 HA SER A 74 -12.801 53.954 -14.456 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.074 52.620 -16.072 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.513 52.726 -15.078 1.00 0.00 H new ATOM 0 HG SER A 74 -15.912 54.627 -15.889 1.00 0.00 H new ATOM 1185 N PRO A 75 -13.678 55.382 -12.612 1.00 0.00 N ATOM 1186 CA PRO A 75 -14.236 56.420 -11.754 1.00 0.00 C ATOM 1187 C PRO A 75 -15.312 57.216 -12.482 1.00 0.00 C ATOM 1188 O PRO A 75 -15.180 57.517 -13.668 1.00 0.00 O ATOM 1189 CB PRO A 75 -13.017 57.287 -11.425 1.00 0.00 C ATOM 1190 CG PRO A 75 -11.861 56.353 -11.541 1.00 0.00 C ATOM 1191 CD PRO A 75 -12.210 55.470 -12.710 1.00 0.00 C ATOM 0 HA PRO A 75 -14.729 56.027 -10.865 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.924 58.123 -12.118 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -13.088 57.710 -10.423 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.930 56.893 -11.714 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.727 55.771 -10.629 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -11.891 55.905 -13.657 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -11.738 54.490 -12.634 1.00 0.00 H new ATOM 1199 N ARG A 76 -16.377 57.556 -11.764 1.00 0.00 N ATOM 1200 CA ARG A 76 -17.507 58.262 -12.356 1.00 0.00 C ATOM 1201 C ARG A 76 -17.323 59.771 -12.264 1.00 0.00 C ATOM 1202 O ARG A 76 -17.108 60.314 -11.180 1.00 0.00 O ATOM 1203 CB ARG A 76 -18.805 57.868 -11.666 1.00 0.00 C ATOM 1204 CG ARG A 76 -20.065 58.425 -12.310 1.00 0.00 C ATOM 1205 CD ARG A 76 -21.267 57.636 -11.935 1.00 0.00 C ATOM 1206 NE ARG A 76 -21.637 57.839 -10.544 1.00 0.00 N ATOM 1207 CZ ARG A 76 -22.476 57.044 -9.852 1.00 0.00 C ATOM 1208 NH1 ARG A 76 -23.023 56.000 -10.435 1.00 0.00 N ATOM 1209 NH2 ARG A 76 -22.749 57.313 -8.587 1.00 0.00 N ATOM 0 H ARG A 76 -16.481 57.354 -10.770 1.00 0.00 H new ATOM 0 HA ARG A 76 -17.556 57.979 -13.407 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -18.874 56.780 -11.647 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -18.765 58.203 -10.630 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -20.201 59.463 -12.006 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -19.951 58.423 -13.394 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -22.101 57.918 -12.577 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -21.075 56.577 -12.109 1.00 0.00 H new ATOM 0 HE ARG A 76 -21.233 58.640 -10.058 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -22.812 55.792 -11.411 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -23.658 55.398 -9.911 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -22.324 58.123 -8.135 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -23.384 56.711 -8.063 1.00 0.00 H new ATOM 1223 N ILE A 77 -17.409 60.443 -13.406 1.00 0.00 N ATOM 1224 CA ILE A 77 -17.236 61.890 -13.459 1.00 0.00 C ATOM 1225 C ILE A 77 -18.476 62.573 -14.023 1.00 0.00 C ATOM 1226 O ILE A 77 -18.939 62.238 -15.113 1.00 0.00 O ATOM 1227 CB ILE A 77 -16.010 62.266 -14.310 1.00 0.00 C ATOM 1228 CG1 ILE A 77 -14.743 61.630 -13.732 1.00 0.00 C ATOM 1229 CG2 ILE A 77 -15.861 63.778 -14.390 1.00 0.00 C ATOM 1230 CD1 ILE A 77 -13.525 61.786 -14.613 1.00 0.00 C ATOM 0 H ILE A 77 -17.598 60.008 -14.309 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.080 62.235 -12.437 1.00 0.00 H new ATOM 0 HB ILE A 77 -16.158 61.882 -15.319 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -14.536 62.076 -12.759 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -14.925 60.568 -13.564 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -14.989 64.026 -14.995 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -16.753 64.208 -14.845 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.734 64.185 -13.387 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -12.668 61.310 -14.136 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -13.711 61.315 -15.578 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -13.316 62.846 -14.761 1.00 0.00 H new ATOM 1242 N VAL A 78 -19.009 63.532 -13.274 1.00 0.00 N ATOM 1243 CA VAL A 78 -20.217 64.240 -13.681 1.00 0.00 C ATOM 1244 C VAL A 78 -19.966 65.738 -13.795 1.00 0.00 C ATOM 1245 O VAL A 78 -19.348 66.342 -12.918 1.00 0.00 O ATOM 1246 CB VAL A 78 -21.351 63.987 -12.670 1.00 0.00 C ATOM 1247 CG1 VAL A 78 -22.597 64.769 -13.060 1.00 0.00 C ATOM 1248 CG2 VAL A 78 -21.651 62.498 -12.590 1.00 0.00 C ATOM 0 H VAL A 78 -18.623 63.837 -12.381 1.00 0.00 H new ATOM 0 HA VAL A 78 -20.509 63.860 -14.660 1.00 0.00 H new ATOM 0 HB VAL A 78 -21.031 64.331 -11.686 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -23.388 64.578 -12.335 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -22.368 65.835 -13.075 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -22.929 64.455 -14.050 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -22.454 62.327 -11.873 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -21.957 62.135 -13.571 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -20.757 61.964 -12.268 1.00 0.00 H new ATOM 1258 N GLU A 79 -20.449 66.333 -14.880 1.00 0.00 N ATOM 1259 CA GLU A 79 -20.279 67.763 -15.110 1.00 0.00 C ATOM 1260 C GLU A 79 -21.469 68.551 -14.577 1.00 0.00 C ATOM 1261 O GLU A 79 -22.619 68.140 -14.734 1.00 0.00 O ATOM 1262 CB GLU A 79 -20.095 68.045 -16.603 1.00 0.00 C ATOM 1263 CG GLU A 79 -18.845 67.424 -17.210 1.00 0.00 C ATOM 1264 CD GLU A 79 -18.689 67.737 -18.672 1.00 0.00 C ATOM 1265 OE1 GLU A 79 -19.542 68.398 -19.214 1.00 0.00 O ATOM 1266 OE2 GLU A 79 -17.714 67.314 -19.249 1.00 0.00 O ATOM 0 H GLU A 79 -20.962 65.846 -15.615 1.00 0.00 H new ATOM 0 HA GLU A 79 -19.386 68.083 -14.573 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -20.968 67.675 -17.141 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -20.061 69.124 -16.755 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -17.968 67.783 -16.671 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -18.881 66.343 -17.077 1.00 0.00 H new ATOM 1273 N LYS A 80 -21.186 69.686 -13.946 1.00 0.00 N ATOM 1274 CA LYS A 80 -22.232 70.532 -13.385 1.00 0.00 C ATOM 1275 C LYS A 80 -22.229 71.912 -14.031 1.00 0.00 C ATOM 1276 O LYS A 80 -21.339 72.724 -13.777 1.00 0.00 O ATOM 1277 CB LYS A 80 -22.064 70.659 -11.871 1.00 0.00 C ATOM 1278 CG LYS A 80 -23.113 71.530 -11.192 1.00 0.00 C ATOM 1279 CD LYS A 80 -22.848 71.652 -9.699 1.00 0.00 C ATOM 1280 CE LYS A 80 -23.839 72.597 -9.036 1.00 0.00 C ATOM 1281 NZ LYS A 80 -23.556 72.771 -7.585 1.00 0.00 N ATOM 0 H LYS A 80 -20.239 70.041 -13.810 1.00 0.00 H new ATOM 0 HA LYS A 80 -23.192 70.060 -13.595 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -22.095 69.663 -11.429 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -21.077 71.070 -11.661 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -23.115 72.521 -11.645 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -24.103 71.104 -11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -22.914 70.668 -9.234 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -21.833 72.014 -9.536 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -23.803 73.567 -9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -24.850 72.211 -9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -24.253 73.422 -7.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -23.616 71.849 -7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -22.601 73.163 -7.462 1.00 0.00 H new ATOM 1295 N GLY A 81 -23.229 72.172 -14.866 1.00 0.00 N ATOM 1296 CA GLY A 81 -23.308 73.429 -15.599 1.00 0.00 C ATOM 1297 C GLY A 81 -23.340 74.620 -14.650 1.00 0.00 C ATOM 1298 O GLY A 81 -24.014 74.588 -13.620 1.00 0.00 O ATOM 0 H GLY A 81 -23.997 71.527 -15.052 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -22.452 73.517 -16.268 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -24.202 73.434 -16.223 1.00 0.00 H new ATOM 1302 N THR A 82 -22.606 75.670 -15.001 1.00 0.00 N ATOM 1303 CA THR A 82 -22.529 76.865 -14.169 1.00 0.00 C ATOM 1304 C THR A 82 -22.319 78.114 -15.015 1.00 0.00 C ATOM 1305 O THR A 82 -21.945 78.027 -16.185 1.00 0.00 O ATOM 1306 CB THR A 82 -21.397 76.746 -13.131 1.00 0.00 C ATOM 1307 OG1 THR A 82 -21.455 77.857 -12.228 1.00 0.00 O ATOM 1308 CG2 THR A 82 -20.042 76.727 -13.821 1.00 0.00 C ATOM 0 H THR A 82 -22.055 75.718 -15.858 1.00 0.00 H new ATOM 0 HA THR A 82 -23.480 76.954 -13.644 1.00 0.00 H new ATOM 0 HB THR A 82 -21.525 75.815 -12.580 1.00 0.00 H new ATOM 0 HG1 THR A 82 -20.736 77.779 -11.567 1.00 0.00 H new ATOM 0 HG21 THR A 82 -19.254 76.643 -13.073 1.00 0.00 H new ATOM 0 HG22 THR A 82 -19.991 75.875 -14.499 1.00 0.00 H new ATOM 0 HG23 THR A 82 -19.908 77.649 -14.386 1.00 0.00 H new ATOM 1316 N LYS A 83 -22.560 79.275 -14.417 1.00 0.00 N ATOM 1317 CA LYS A 83 -22.385 80.546 -15.111 1.00 0.00 C ATOM 1318 C LYS A 83 -21.059 81.197 -14.740 1.00 0.00 C ATOM 1319 O LYS A 83 -20.754 82.304 -15.185 1.00 0.00 O ATOM 1320 CB LYS A 83 -23.543 81.493 -14.795 1.00 0.00 C ATOM 1321 CG LYS A 83 -24.894 81.034 -15.326 1.00 0.00 C ATOM 1322 CD LYS A 83 -26.001 81.999 -14.930 1.00 0.00 C ATOM 1323 CE LYS A 83 -27.346 81.561 -15.491 1.00 0.00 C ATOM 1324 NZ LYS A 83 -28.458 82.424 -15.008 1.00 0.00 N ATOM 0 H LYS A 83 -22.878 79.363 -13.452 1.00 0.00 H new ATOM 0 HA LYS A 83 -22.377 80.343 -16.182 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -23.613 81.613 -13.714 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -23.317 82.475 -15.211 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -24.851 80.952 -16.412 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -25.120 80.040 -14.940 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -26.061 82.060 -13.843 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -25.762 82.999 -15.293 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -27.311 81.590 -16.580 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -27.539 80.527 -15.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -29.356 82.092 -15.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -28.508 82.377 -13.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -28.288 83.407 -15.302 1.00 0.00 H new