USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 630 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 Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.15 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.29) USER MOD Single : A 31 THR OG1 : rot -80:sc= -0.573 USER MOD Single : A 36 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.13) USER MOD Single : A 40 SER OG : rot 26:sc= 0.289 USER MOD Single : A 41 SER OG : rot 180:sc= -0.113 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 47 TYR OH : rot 36:sc= 0.454 USER MOD Single : A 49 HIS : no HD1:sc= -0.146 K(o=-0.15,f=-1) USER MOD Single : A 50 SER OG : rot 64:sc= 1.14 USER MOD Single : A 51 LYS NZ :NH3+ -133:sc= 0.911 (180deg=-0.965) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 79:sc= 0.871 USER MOD Single : A 62 LYS NZ :NH3+ -127:sc= -1.64 (180deg=-2.17) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 71 SER OG : rot 87:sc= 1.25 USER MOD Single : A 73 LYS NZ :NH3+ 169:sc= -0.435 (180deg=-0.655) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 144:sc= 1.02 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 109 N ASP A 7 -6.975 1.238 14.863 1.00 1.00 N ATOM 110 CA ASP A 7 -7.870 0.557 13.916 1.00 1.00 C ATOM 111 C ASP A 7 -7.417 0.826 12.482 1.00 1.00 C ATOM 112 O ASP A 7 -7.970 1.686 11.795 1.00 1.00 O ATOM 113 CB ASP A 7 -9.313 1.049 14.121 1.00 1.00 C ATOM 114 CG ASP A 7 -10.277 0.281 13.215 1.00 1.00 C ATOM 115 OD1 ASP A 7 -10.442 -0.909 13.432 1.00 1.00 O ATOM 116 OD2 ASP A 7 -10.833 0.890 12.316 1.00 1.00 O ATOM 0 HA ASP A 7 -7.833 -0.517 14.097 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -9.603 0.918 15.164 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -9.374 2.116 13.905 1.00 1.00 H new ATOM 121 N GLY A 8 -6.412 0.064 12.033 1.00 1.00 N ATOM 122 CA GLY A 8 -5.876 0.190 10.674 1.00 1.00 C ATOM 123 C GLY A 8 -6.719 -0.626 9.704 1.00 1.00 C ATOM 124 O GLY A 8 -7.921 -0.801 9.911 1.00 1.00 O ATOM 0 H GLY A 8 -5.952 -0.651 12.596 1.00 1.00 H new ATOM 0 HA2 GLY A 8 -5.871 1.237 10.372 1.00 1.00 H new ATOM 0 HA3 GLY A 8 -4.842 -0.154 10.649 1.00 1.00 H new ATOM 128 N VAL A 9 -6.069 -1.144 8.650 1.00 1.00 N ATOM 129 CA VAL A 9 -6.732 -1.980 7.631 1.00 1.00 C ATOM 130 C VAL A 9 -5.945 -3.277 7.463 1.00 1.00 C ATOM 131 O VAL A 9 -4.725 -3.257 7.390 1.00 1.00 O ATOM 132 CB VAL A 9 -6.806 -1.215 6.290 1.00 1.00 C ATOM 133 CG1 VAL A 9 -5.395 -0.875 5.761 1.00 1.00 C ATOM 134 CG2 VAL A 9 -7.570 -2.047 5.239 1.00 1.00 C ATOM 0 H VAL A 9 -5.074 -0.998 8.479 1.00 1.00 H new ATOM 0 HA VAL A 9 -7.748 -2.215 7.949 1.00 1.00 H new ATOM 0 HB VAL A 9 -7.340 -0.282 6.469 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -5.480 -0.337 4.817 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -4.874 -0.252 6.488 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -4.833 -1.796 5.605 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -7.614 -1.495 4.300 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -7.054 -2.994 5.080 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.582 -2.240 5.594 1.00 1.00 H new ATOM 144 N TYR A 10 -6.647 -4.408 7.422 1.00 1.00 N ATOM 145 CA TYR A 10 -5.993 -5.720 7.288 1.00 1.00 C ATOM 146 C TYR A 10 -5.839 -6.067 5.796 1.00 1.00 C ATOM 147 O TYR A 10 -6.662 -5.665 4.974 1.00 1.00 O ATOM 148 CB TYR A 10 -6.852 -6.814 8.005 1.00 1.00 C ATOM 149 CG TYR A 10 -7.567 -6.236 9.241 1.00 1.00 C ATOM 150 CD1 TYR A 10 -6.853 -5.460 10.162 1.00 1.00 C ATOM 151 CD2 TYR A 10 -8.927 -6.495 9.454 1.00 1.00 C ATOM 152 CE1 TYR A 10 -7.498 -4.942 11.292 1.00 1.00 C ATOM 153 CE2 TYR A 10 -9.571 -5.979 10.584 1.00 1.00 C ATOM 154 CZ TYR A 10 -8.857 -5.202 11.503 1.00 1.00 C ATOM 155 OH TYR A 10 -9.493 -4.693 12.621 1.00 1.00 O ATOM 0 H TYR A 10 -7.665 -4.449 7.479 1.00 1.00 H new ATOM 0 HA TYR A 10 -5.007 -5.683 7.751 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -7.589 -7.216 7.310 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -6.212 -7.644 8.306 1.00 1.00 H new ATOM 0 HD1 TYR A 10 -5.804 -5.261 10.001 1.00 1.00 H new ATOM 0 HD2 TYR A 10 -9.479 -7.094 8.745 1.00 1.00 H new ATOM 0 HE1 TYR A 10 -6.947 -4.342 12.001 1.00 1.00 H new ATOM 0 HE2 TYR A 10 -10.619 -6.180 10.747 1.00 1.00 H new ATOM 0 HH TYR A 10 -10.434 -4.966 12.615 1.00 1.00 H new ATOM 165 N VAL A 11 -4.782 -6.823 5.467 1.00 1.00 N ATOM 166 CA VAL A 11 -4.515 -7.249 4.076 1.00 1.00 C ATOM 167 C VAL A 11 -5.035 -8.677 3.889 1.00 1.00 C ATOM 168 O VAL A 11 -4.713 -9.567 4.674 1.00 1.00 O ATOM 169 CB VAL A 11 -3.000 -7.189 3.785 1.00 1.00 C ATOM 170 CG1 VAL A 11 -2.717 -7.572 2.315 1.00 1.00 C ATOM 171 CG2 VAL A 11 -2.488 -5.763 4.046 1.00 1.00 C ATOM 0 H VAL A 11 -4.094 -7.155 6.143 1.00 1.00 H new ATOM 0 HA VAL A 11 -5.024 -6.581 3.381 1.00 1.00 H new ATOM 0 HB VAL A 11 -2.488 -7.895 4.438 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -1.644 -7.525 2.127 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -3.074 -8.585 2.128 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -3.233 -6.877 1.652 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -1.418 -5.717 3.841 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -3.012 -5.063 3.395 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -2.670 -5.496 5.087 1.00 1.00 H new ATOM 181 N LEU A 12 -5.840 -8.893 2.842 1.00 1.00 N ATOM 182 CA LEU A 12 -6.404 -10.217 2.552 1.00 1.00 C ATOM 183 C LEU A 12 -5.342 -11.139 1.936 1.00 1.00 C ATOM 184 O LEU A 12 -5.285 -12.333 2.239 1.00 1.00 O ATOM 185 CB LEU A 12 -7.598 -10.058 1.574 1.00 1.00 C ATOM 186 CG LEU A 12 -8.444 -11.383 1.452 1.00 1.00 C ATOM 187 CD1 LEU A 12 -9.510 -11.463 2.572 1.00 1.00 C ATOM 188 CD2 LEU A 12 -9.165 -11.435 0.083 1.00 1.00 C ATOM 0 H LEU A 12 -6.116 -8.167 2.181 1.00 1.00 H new ATOM 0 HA LEU A 12 -6.746 -10.668 3.483 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -8.241 -9.248 1.917 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -7.225 -9.774 0.590 1.00 1.00 H new ATOM 0 HG LEU A 12 -7.756 -12.224 1.545 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -10.080 -12.386 2.466 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -9.018 -11.450 3.544 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -10.183 -10.609 2.495 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -9.745 -12.355 0.012 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -9.831 -10.577 -0.010 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -8.427 -11.409 -0.718 1.00 1.00 H new ATOM 200 N SER A 13 -4.517 -10.570 1.051 1.00 1.00 N ATOM 201 CA SER A 13 -3.473 -11.346 0.369 1.00 1.00 C ATOM 202 C SER A 13 -2.473 -10.444 -0.351 1.00 1.00 C ATOM 203 O SER A 13 -2.756 -9.281 -0.640 1.00 1.00 O ATOM 204 CB SER A 13 -4.125 -12.279 -0.654 1.00 1.00 C ATOM 205 OG SER A 13 -3.119 -13.027 -1.323 1.00 1.00 O ATOM 0 H SER A 13 -4.550 -9.584 0.791 1.00 1.00 H new ATOM 0 HA SER A 13 -2.933 -11.916 1.125 1.00 1.00 H new ATOM 0 HB2 SER A 13 -4.822 -12.952 -0.155 1.00 1.00 H new ATOM 0 HB3 SER A 13 -4.702 -11.699 -1.375 1.00 1.00 H new ATOM 0 HG SER A 13 -3.537 -13.626 -1.977 1.00 1.00 H new ATOM 211 N VAL A 14 -1.297 -11.016 -0.654 1.00 1.00 N ATOM 212 CA VAL A 14 -0.217 -10.308 -1.367 1.00 1.00 C ATOM 213 C VAL A 14 0.314 -11.200 -2.492 1.00 1.00 C ATOM 214 O VAL A 14 0.876 -12.266 -2.235 1.00 1.00 O ATOM 215 CB VAL A 14 0.921 -9.962 -0.379 1.00 1.00 C ATOM 216 CG1 VAL A 14 2.018 -9.134 -1.082 1.00 1.00 C ATOM 217 CG2 VAL A 14 0.339 -9.147 0.787 1.00 1.00 C ATOM 0 H VAL A 14 -1.066 -11.980 -0.413 1.00 1.00 H new ATOM 0 HA VAL A 14 -0.604 -9.383 -1.794 1.00 1.00 H new ATOM 0 HB VAL A 14 1.364 -10.887 -0.011 1.00 1.00 H new ATOM 0 HG11 VAL A 14 2.810 -8.900 -0.370 1.00 1.00 H new ATOM 0 HG12 VAL A 14 2.433 -9.708 -1.911 1.00 1.00 H new ATOM 0 HG13 VAL A 14 1.587 -8.208 -1.462 1.00 1.00 H new ATOM 0 HG21 VAL A 14 1.134 -8.898 1.490 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -0.106 -8.229 0.403 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -0.424 -9.735 1.297 1.00 1.00 H new ATOM 227 N LYS A 15 0.138 -10.759 -3.740 1.00 1.00 N ATOM 228 CA LYS A 15 0.608 -11.521 -4.898 1.00 1.00 C ATOM 229 C LYS A 15 2.135 -11.416 -4.975 1.00 1.00 C ATOM 230 O LYS A 15 2.664 -10.374 -5.330 1.00 1.00 O ATOM 231 CB LYS A 15 -0.037 -10.946 -6.185 1.00 1.00 C ATOM 232 CG LYS A 15 -1.580 -10.842 -6.057 1.00 1.00 C ATOM 233 CD LYS A 15 -2.229 -12.224 -5.846 1.00 1.00 C ATOM 234 CE LYS A 15 -3.759 -12.097 -5.832 1.00 1.00 C ATOM 235 NZ LYS A 15 -4.355 -13.449 -5.643 1.00 1.00 N ATOM 0 H LYS A 15 -0.325 -9.881 -3.973 1.00 1.00 H new ATOM 0 HA LYS A 15 0.325 -12.569 -4.800 1.00 1.00 H new ATOM 0 HB2 LYS A 15 0.378 -9.959 -6.391 1.00 1.00 H new ATOM 0 HB3 LYS A 15 0.216 -11.581 -7.034 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -1.833 -10.190 -5.221 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -1.989 -10.381 -6.956 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -1.921 -12.903 -6.641 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -1.884 -12.656 -4.906 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -4.074 -11.431 -5.029 1.00 1.00 H new ATOM 0 HE3 LYS A 15 -4.109 -11.658 -6.766 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 -5.392 -13.373 -5.632 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -4.062 -14.070 -6.424 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 -4.028 -13.850 -4.741 1.00 1.00 H new ATOM 249 N GLU A 16 2.827 -12.498 -4.602 1.00 1.00 N ATOM 250 CA GLU A 16 4.294 -12.527 -4.590 1.00 1.00 C ATOM 251 C GLU A 16 4.877 -12.387 -6.006 1.00 1.00 C ATOM 252 O GLU A 16 5.537 -13.297 -6.511 1.00 1.00 O ATOM 253 CB GLU A 16 4.758 -13.852 -3.966 1.00 1.00 C ATOM 254 CG GLU A 16 4.242 -13.967 -2.523 1.00 1.00 C ATOM 255 CD GLU A 16 4.689 -15.294 -1.899 1.00 1.00 C ATOM 256 OE1 GLU A 16 5.458 -16.002 -2.530 1.00 1.00 O ATOM 257 OE2 GLU A 16 4.265 -15.584 -0.793 1.00 1.00 O ATOM 0 H GLU A 16 2.391 -13.370 -4.303 1.00 1.00 H new ATOM 0 HA GLU A 16 4.652 -11.682 -4.002 1.00 1.00 H new ATOM 0 HB2 GLU A 16 4.392 -14.690 -4.559 1.00 1.00 H new ATOM 0 HB3 GLU A 16 5.847 -13.906 -3.976 1.00 1.00 H new ATOM 0 HG2 GLU A 16 4.617 -13.134 -1.929 1.00 1.00 H new ATOM 0 HG3 GLU A 16 3.154 -13.901 -2.513 1.00 1.00 H new ATOM 264 N ASP A 17 4.635 -11.230 -6.619 1.00 1.00 N ATOM 265 CA ASP A 17 5.122 -10.923 -7.964 1.00 1.00 C ATOM 266 C ASP A 17 4.736 -9.472 -8.293 1.00 1.00 C ATOM 267 O ASP A 17 4.220 -9.186 -9.373 1.00 1.00 O ATOM 268 CB ASP A 17 4.485 -11.877 -8.999 1.00 1.00 C ATOM 269 CG ASP A 17 5.072 -11.618 -10.385 1.00 1.00 C ATOM 270 OD1 ASP A 17 6.247 -11.890 -10.564 1.00 1.00 O ATOM 271 OD2 ASP A 17 4.344 -11.142 -11.241 1.00 1.00 O ATOM 0 H ASP A 17 4.094 -10.476 -6.196 1.00 1.00 H new ATOM 0 HA ASP A 17 6.204 -11.050 -8.002 1.00 1.00 H new ATOM 0 HB2 ASP A 17 4.663 -12.912 -8.708 1.00 1.00 H new ATOM 0 HB3 ASP A 17 3.405 -11.733 -9.021 1.00 1.00 H new ATOM 276 N VAL A 18 4.971 -8.564 -7.328 1.00 1.00 N ATOM 277 CA VAL A 18 4.624 -7.130 -7.476 1.00 1.00 C ATOM 278 C VAL A 18 5.609 -6.266 -6.651 1.00 1.00 C ATOM 279 O VAL A 18 6.235 -6.790 -5.730 1.00 1.00 O ATOM 280 CB VAL A 18 3.161 -6.908 -6.970 1.00 1.00 C ATOM 281 CG1 VAL A 18 2.165 -7.810 -7.749 1.00 1.00 C ATOM 282 CG2 VAL A 18 3.069 -7.208 -5.446 1.00 1.00 C ATOM 0 H VAL A 18 5.401 -8.795 -6.432 1.00 1.00 H new ATOM 0 HA VAL A 18 4.696 -6.837 -8.524 1.00 1.00 H new ATOM 0 HB VAL A 18 2.893 -5.866 -7.146 1.00 1.00 H new ATOM 0 HG11 VAL A 18 1.154 -7.639 -7.380 1.00 1.00 H new ATOM 0 HG12 VAL A 18 2.210 -7.569 -8.811 1.00 1.00 H new ATOM 0 HG13 VAL A 18 2.432 -8.857 -7.603 1.00 1.00 H new ATOM 0 HG21 VAL A 18 2.046 -7.050 -5.105 1.00 1.00 H new ATOM 0 HG22 VAL A 18 3.357 -8.243 -5.261 1.00 1.00 H new ATOM 0 HG23 VAL A 18 3.739 -6.542 -4.903 1.00 1.00 H new ATOM 292 N PRO A 19 5.752 -4.963 -6.910 1.00 1.00 N ATOM 293 CA PRO A 19 6.671 -4.099 -6.087 1.00 1.00 C ATOM 294 C PRO A 19 6.479 -4.310 -4.564 1.00 1.00 C ATOM 295 O PRO A 19 7.434 -4.211 -3.794 1.00 1.00 O ATOM 296 CB PRO A 19 6.304 -2.658 -6.522 1.00 1.00 C ATOM 297 CG PRO A 19 5.800 -2.797 -7.932 1.00 1.00 C ATOM 298 CD PRO A 19 5.099 -4.173 -7.995 1.00 1.00 C ATOM 0 HA PRO A 19 7.721 -4.337 -6.255 1.00 1.00 H new ATOM 0 HB2 PRO A 19 5.542 -2.230 -5.870 1.00 1.00 H new ATOM 0 HB3 PRO A 19 7.170 -1.998 -6.475 1.00 1.00 H new ATOM 0 HG2 PRO A 19 5.107 -1.993 -8.180 1.00 1.00 H new ATOM 0 HG3 PRO A 19 6.620 -2.743 -8.648 1.00 1.00 H new ATOM 0 HD2 PRO A 19 4.025 -4.081 -7.831 1.00 1.00 H new ATOM 0 HD3 PRO A 19 5.234 -4.645 -8.968 1.00 1.00 H new ATOM 306 N ALA A 20 5.241 -4.594 -4.147 1.00 1.00 N ATOM 307 CA ALA A 20 4.936 -4.810 -2.720 1.00 1.00 C ATOM 308 C ALA A 20 5.661 -6.046 -2.174 1.00 1.00 C ATOM 309 O ALA A 20 5.859 -6.170 -0.965 1.00 1.00 O ATOM 310 CB ALA A 20 3.399 -4.963 -2.515 1.00 1.00 C ATOM 0 H ALA A 20 4.436 -4.680 -4.768 1.00 1.00 H new ATOM 0 HA ALA A 20 5.289 -3.939 -2.168 1.00 1.00 H new ATOM 0 HB1 ALA A 20 3.187 -5.122 -1.458 1.00 1.00 H new ATOM 0 HB2 ALA A 20 2.895 -4.058 -2.854 1.00 1.00 H new ATOM 0 HB3 ALA A 20 3.038 -5.816 -3.090 1.00 1.00 H new ATOM 316 N ALA A 21 6.031 -6.964 -3.061 1.00 1.00 N ATOM 317 CA ALA A 21 6.704 -8.187 -2.646 1.00 1.00 C ATOM 318 C ALA A 21 8.061 -7.878 -2.012 1.00 1.00 C ATOM 319 O ALA A 21 8.912 -7.230 -2.620 1.00 1.00 O ATOM 320 CB ALA A 21 6.900 -9.098 -3.864 1.00 1.00 C ATOM 0 H ALA A 21 5.877 -6.884 -4.066 1.00 1.00 H new ATOM 0 HA ALA A 21 6.085 -8.688 -1.902 1.00 1.00 H new ATOM 0 HB1 ALA A 21 7.404 -10.014 -3.556 1.00 1.00 H new ATOM 0 HB2 ALA A 21 5.929 -9.345 -4.294 1.00 1.00 H new ATOM 0 HB3 ALA A 21 7.507 -8.584 -4.609 1.00 1.00 H new ATOM 326 N GLY A 22 8.249 -8.364 -0.783 1.00 1.00 N ATOM 327 CA GLY A 22 9.501 -8.168 -0.032 1.00 1.00 C ATOM 328 C GLY A 22 9.416 -6.960 0.899 1.00 1.00 C ATOM 329 O GLY A 22 10.307 -6.748 1.723 1.00 1.00 O ATOM 0 H GLY A 22 7.545 -8.902 -0.279 1.00 1.00 H new ATOM 0 HA2 GLY A 22 9.720 -9.063 0.551 1.00 1.00 H new ATOM 0 HA3 GLY A 22 10.327 -8.032 -0.730 1.00 1.00 H new ATOM 333 N ILE A 23 8.343 -6.163 0.754 1.00 1.00 N ATOM 334 CA ILE A 23 8.132 -4.948 1.578 1.00 1.00 C ATOM 335 C ILE A 23 6.901 -5.120 2.472 1.00 1.00 C ATOM 336 O ILE A 23 6.970 -4.900 3.683 1.00 1.00 O ATOM 337 CB ILE A 23 7.940 -3.738 0.632 1.00 1.00 C ATOM 338 CG1 ILE A 23 9.174 -3.632 -0.308 1.00 1.00 C ATOM 339 CG2 ILE A 23 7.793 -2.433 1.449 1.00 1.00 C ATOM 340 CD1 ILE A 23 8.955 -2.555 -1.372 1.00 1.00 C ATOM 0 H ILE A 23 7.603 -6.335 0.073 1.00 1.00 H new ATOM 0 HA ILE A 23 8.997 -4.783 2.220 1.00 1.00 H new ATOM 0 HB ILE A 23 7.034 -3.881 0.043 1.00 1.00 H new ATOM 0 HG12 ILE A 23 10.063 -3.396 0.277 1.00 1.00 H new ATOM 0 HG13 ILE A 23 9.354 -4.593 -0.789 1.00 1.00 H new ATOM 0 HG21 ILE A 23 7.659 -1.591 0.769 1.00 1.00 H new ATOM 0 HG22 ILE A 23 6.927 -2.511 2.106 1.00 1.00 H new ATOM 0 HG23 ILE A 23 8.690 -2.276 2.048 1.00 1.00 H new ATOM 0 HD11 ILE A 23 9.831 -2.498 -2.018 1.00 1.00 H new ATOM 0 HD12 ILE A 23 8.079 -2.807 -1.970 1.00 1.00 H new ATOM 0 HD13 ILE A 23 8.799 -1.591 -0.887 1.00 1.00 H new ATOM 352 N LEU A 24 5.777 -5.519 1.858 1.00 1.00 N ATOM 353 CA LEU A 24 4.498 -5.735 2.570 1.00 1.00 C ATOM 354 C LEU A 24 4.157 -7.230 2.530 1.00 1.00 C ATOM 355 O LEU A 24 4.503 -7.938 1.582 1.00 1.00 O ATOM 356 CB LEU A 24 3.369 -4.893 1.903 1.00 1.00 C ATOM 357 CG LEU A 24 3.498 -3.359 2.229 1.00 1.00 C ATOM 358 CD1 LEU A 24 2.659 -2.541 1.221 1.00 1.00 C ATOM 359 CD2 LEU A 24 2.974 -3.037 3.660 1.00 1.00 C ATOM 0 H LEU A 24 5.724 -5.702 0.856 1.00 1.00 H new ATOM 0 HA LEU A 24 4.589 -5.415 3.608 1.00 1.00 H new ATOM 0 HB2 LEU A 24 3.401 -5.037 0.823 1.00 1.00 H new ATOM 0 HB3 LEU A 24 2.399 -5.255 2.244 1.00 1.00 H new ATOM 0 HG LEU A 24 4.554 -3.097 2.164 1.00 1.00 H new ATOM 0 HD11 LEU A 24 2.750 -1.479 1.449 1.00 1.00 H new ATOM 0 HD12 LEU A 24 3.021 -2.727 0.210 1.00 1.00 H new ATOM 0 HD13 LEU A 24 1.613 -2.839 1.292 1.00 1.00 H new ATOM 0 HD21 LEU A 24 3.077 -1.969 3.854 1.00 1.00 H new ATOM 0 HD22 LEU A 24 1.924 -3.319 3.735 1.00 1.00 H new ATOM 0 HD23 LEU A 24 3.554 -3.597 4.394 1.00 1.00 H new ATOM 371 N HIS A 25 3.484 -7.701 3.586 1.00 1.00 N ATOM 372 CA HIS A 25 3.091 -9.115 3.721 1.00 1.00 C ATOM 373 C HIS A 25 1.686 -9.213 4.308 1.00 1.00 C ATOM 374 O HIS A 25 1.229 -8.315 5.013 1.00 1.00 O ATOM 375 CB HIS A 25 4.091 -9.837 4.650 1.00 1.00 C ATOM 376 CG HIS A 25 3.764 -11.310 4.728 1.00 1.00 C ATOM 377 ND1 HIS A 25 3.826 -12.130 3.614 1.00 1.00 N ATOM 378 CD2 HIS A 25 3.349 -12.115 5.762 1.00 1.00 C ATOM 379 CE1 HIS A 25 3.459 -13.363 4.000 1.00 1.00 C ATOM 380 NE2 HIS A 25 3.157 -13.415 5.299 1.00 1.00 N ATOM 0 H HIS A 25 3.195 -7.117 4.371 1.00 1.00 H new ATOM 0 HA HIS A 25 3.098 -9.585 2.738 1.00 1.00 H new ATOM 0 HB2 HIS A 25 5.106 -9.702 4.278 1.00 1.00 H new ATOM 0 HB3 HIS A 25 4.056 -9.396 5.646 1.00 1.00 H new ATOM 0 HD2 HIS A 25 3.195 -11.789 6.780 1.00 1.00 H new ATOM 0 HE1 HIS A 25 3.414 -14.214 3.336 1.00 1.00 H new ATOM 0 HE2 HIS A 25 2.853 -14.228 5.835 1.00 1.00 H new ATOM 389 N ALA A 26 1.007 -10.317 4.007 1.00 1.00 N ATOM 390 CA ALA A 26 -0.346 -10.540 4.501 1.00 1.00 C ATOM 391 C ALA A 26 -0.385 -10.488 6.035 1.00 1.00 C ATOM 392 O ALA A 26 0.514 -10.997 6.704 1.00 1.00 O ATOM 393 CB ALA A 26 -0.840 -11.906 4.017 1.00 1.00 C ATOM 0 H ALA A 26 1.373 -11.070 3.424 1.00 1.00 H new ATOM 0 HA ALA A 26 -0.994 -9.752 4.117 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -1.852 -12.078 4.384 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -0.841 -11.927 2.927 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -0.180 -12.687 4.395 1.00 1.00 H new ATOM 399 N GLY A 27 -1.436 -9.866 6.581 1.00 1.00 N ATOM 400 CA GLY A 27 -1.605 -9.735 8.038 1.00 1.00 C ATOM 401 C GLY A 27 -1.053 -8.403 8.537 1.00 1.00 C ATOM 402 O GLY A 27 -1.231 -8.050 9.704 1.00 1.00 O ATOM 0 H GLY A 27 -2.187 -9.443 6.036 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -2.662 -9.813 8.293 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -1.094 -10.556 8.542 1.00 1.00 H new ATOM 406 N ASP A 28 -0.397 -7.651 7.648 1.00 1.00 N ATOM 407 CA ASP A 28 0.160 -6.341 8.008 1.00 1.00 C ATOM 408 C ASP A 28 -0.968 -5.319 8.127 1.00 1.00 C ATOM 409 O ASP A 28 -1.987 -5.450 7.448 1.00 1.00 O ATOM 410 CB ASP A 28 1.163 -5.887 6.930 1.00 1.00 C ATOM 411 CG ASP A 28 1.840 -4.579 7.347 1.00 1.00 C ATOM 412 OD1 ASP A 28 1.973 -4.365 8.541 1.00 1.00 O ATOM 413 OD2 ASP A 28 2.211 -3.817 6.470 1.00 1.00 O ATOM 0 H ASP A 28 -0.238 -7.924 6.678 1.00 1.00 H new ATOM 0 HA ASP A 28 0.676 -6.420 8.965 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.916 -6.660 6.776 1.00 1.00 H new ATOM 0 HB3 ASP A 28 0.648 -5.750 5.979 1.00 1.00 H new ATOM 418 N LEU A 29 -0.781 -4.297 8.984 1.00 1.00 N ATOM 419 CA LEU A 29 -1.794 -3.243 9.178 1.00 1.00 C ATOM 420 C LEU A 29 -1.192 -1.881 8.836 1.00 1.00 C ATOM 421 O LEU A 29 -0.207 -1.464 9.444 1.00 1.00 O ATOM 422 CB LEU A 29 -2.283 -3.222 10.657 1.00 1.00 C ATOM 423 CG LEU A 29 -2.893 -4.605 11.096 1.00 1.00 C ATOM 424 CD1 LEU A 29 -1.804 -5.572 11.627 1.00 1.00 C ATOM 425 CD2 LEU A 29 -3.935 -4.394 12.221 1.00 1.00 C ATOM 0 H LEU A 29 0.059 -4.179 9.551 1.00 1.00 H new ATOM 0 HA LEU A 29 -2.640 -3.453 8.523 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -1.448 -2.970 11.311 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -3.032 -2.440 10.780 1.00 1.00 H new ATOM 0 HG LEU A 29 -3.359 -5.042 10.213 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -2.266 -6.515 11.920 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -1.068 -5.756 10.844 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -1.311 -5.126 12.491 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -4.351 -5.357 12.517 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -3.453 -3.927 13.080 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -4.736 -3.749 11.859 1.00 1.00 H new ATOM 437 N ILE A 30 -1.785 -1.180 7.857 1.00 1.00 N ATOM 438 CA ILE A 30 -1.299 0.138 7.442 1.00 1.00 C ATOM 439 C ILE A 30 -2.003 1.191 8.298 1.00 1.00 C ATOM 440 O ILE A 30 -3.210 1.106 8.522 1.00 1.00 O ATOM 441 CB ILE A 30 -1.579 0.352 5.935 1.00 1.00 C ATOM 442 CG1 ILE A 30 -0.953 -0.826 5.139 1.00 1.00 C ATOM 443 CG2 ILE A 30 -0.954 1.684 5.472 1.00 1.00 C ATOM 444 CD1 ILE A 30 -1.299 -0.732 3.652 1.00 1.00 C ATOM 0 H ILE A 30 -2.601 -1.507 7.340 1.00 1.00 H new ATOM 0 HA ILE A 30 -0.222 0.219 7.586 1.00 1.00 H new ATOM 0 HB ILE A 30 -2.654 0.388 5.760 1.00 1.00 H new ATOM 0 HG12 ILE A 30 0.130 -0.819 5.265 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -1.314 -1.773 5.540 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -1.154 1.830 4.410 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -1.389 2.507 6.040 1.00 1.00 H new ATOM 0 HG23 ILE A 30 0.123 1.658 5.638 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -0.848 -1.569 3.120 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -2.381 -0.764 3.528 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -0.915 0.204 3.248 1.00 1.00 H new ATOM 456 N THR A 31 -1.238 2.162 8.807 1.00 1.00 N ATOM 457 CA THR A 31 -1.788 3.215 9.680 1.00 1.00 C ATOM 458 C THR A 31 -2.095 4.480 8.893 1.00 1.00 C ATOM 459 O THR A 31 -3.176 5.054 9.029 1.00 1.00 O ATOM 460 CB THR A 31 -0.761 3.559 10.765 1.00 1.00 C ATOM 461 OG1 THR A 31 0.384 4.121 10.151 1.00 1.00 O ATOM 462 CG2 THR A 31 -0.363 2.294 11.532 1.00 1.00 C ATOM 0 H THR A 31 -0.236 2.244 8.632 1.00 1.00 H new ATOM 0 HA THR A 31 -2.711 2.840 10.121 1.00 1.00 H new ATOM 0 HB THR A 31 -1.196 4.272 11.465 1.00 1.00 H new ATOM 0 HG1 THR A 31 0.944 3.405 9.785 1.00 1.00 H new ATOM 0 HG21 THR A 31 0.367 2.549 12.300 1.00 1.00 H new ATOM 0 HG22 THR A 31 -1.246 1.859 12.000 1.00 1.00 H new ATOM 0 HG23 THR A 31 0.074 1.572 10.842 1.00 1.00 H new ATOM 470 N GLU A 32 -1.127 4.935 8.091 1.00 1.00 N ATOM 471 CA GLU A 32 -1.297 6.168 7.313 1.00 1.00 C ATOM 472 C GLU A 32 -0.416 6.159 6.052 1.00 1.00 C ATOM 473 O GLU A 32 0.558 5.418 5.961 1.00 1.00 O ATOM 474 CB GLU A 32 -0.947 7.352 8.245 1.00 1.00 C ATOM 475 CG GLU A 32 -1.331 8.714 7.638 1.00 1.00 C ATOM 476 CD GLU A 32 -2.843 8.816 7.428 1.00 1.00 C ATOM 477 OE1 GLU A 32 -3.568 8.146 8.146 1.00 1.00 O ATOM 478 OE2 GLU A 32 -3.253 9.541 6.536 1.00 1.00 O ATOM 0 H GLU A 32 -0.226 4.474 7.963 1.00 1.00 H new ATOM 0 HA GLU A 32 -2.325 6.258 6.962 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -1.461 7.225 9.198 1.00 1.00 H new ATOM 0 HB3 GLU A 32 0.122 7.340 8.456 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -0.997 9.516 8.296 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -0.818 8.849 6.686 1.00 1.00 H new ATOM 485 N ILE A 33 -0.773 6.996 5.070 1.00 1.00 N ATOM 486 CA ILE A 33 -0.019 7.112 3.813 1.00 1.00 C ATOM 487 C ILE A 33 0.118 8.602 3.491 1.00 1.00 C ATOM 488 O ILE A 33 -0.881 9.320 3.485 1.00 1.00 O ATOM 489 CB ILE A 33 -0.766 6.364 2.671 1.00 1.00 C ATOM 490 CG1 ILE A 33 -1.019 4.847 3.064 1.00 1.00 C ATOM 491 CG2 ILE A 33 0.075 6.438 1.378 1.00 1.00 C ATOM 492 CD1 ILE A 33 -2.419 4.640 3.682 1.00 1.00 C ATOM 0 H ILE A 33 -1.587 7.609 5.122 1.00 1.00 H new ATOM 0 HA ILE A 33 0.968 6.660 3.911 1.00 1.00 H new ATOM 0 HB ILE A 33 -1.733 6.841 2.510 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -0.917 4.220 2.178 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -0.257 4.523 3.773 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -0.445 5.915 0.575 1.00 1.00 H new ATOM 0 HG22 ILE A 33 0.220 7.481 1.097 1.00 1.00 H new ATOM 0 HG23 ILE A 33 1.045 5.970 1.547 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -2.552 3.589 3.937 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -2.512 5.247 4.583 1.00 1.00 H new ATOM 0 HD13 ILE A 33 -3.182 4.939 2.963 1.00 1.00 H new ATOM 504 N ASP A 34 1.344 9.072 3.203 1.00 1.00 N ATOM 505 CA ASP A 34 1.588 10.487 2.865 1.00 1.00 C ATOM 506 C ASP A 34 0.793 11.466 3.752 1.00 1.00 C ATOM 507 O ASP A 34 0.606 12.626 3.386 1.00 1.00 O ATOM 508 CB ASP A 34 1.255 10.720 1.382 1.00 1.00 C ATOM 509 CG ASP A 34 2.187 9.885 0.505 1.00 1.00 C ATOM 510 OD1 ASP A 34 2.451 8.749 0.866 1.00 1.00 O ATOM 511 OD2 ASP A 34 2.632 10.392 -0.511 1.00 1.00 O ATOM 0 H ASP A 34 2.183 8.492 3.197 1.00 1.00 H new ATOM 0 HA ASP A 34 2.642 10.690 3.053 1.00 1.00 H new ATOM 0 HB2 ASP A 34 0.217 10.450 1.186 1.00 1.00 H new ATOM 0 HB3 ASP A 34 1.361 11.777 1.138 1.00 1.00 H new ATOM 516 N GLY A 35 0.348 10.996 4.915 1.00 1.00 N ATOM 517 CA GLY A 35 -0.410 11.843 5.841 1.00 1.00 C ATOM 518 C GLY A 35 -1.790 12.172 5.280 1.00 1.00 C ATOM 519 O GLY A 35 -2.528 12.973 5.854 1.00 1.00 O ATOM 0 H GLY A 35 0.496 10.040 5.240 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -0.515 11.335 6.800 1.00 1.00 H new ATOM 0 HA3 GLY A 35 0.140 12.766 6.028 1.00 1.00 H new ATOM 523 N GLN A 36 -2.137 11.551 4.146 1.00 1.00 N ATOM 524 CA GLN A 36 -3.437 11.784 3.497 1.00 1.00 C ATOM 525 C GLN A 36 -4.499 10.845 4.084 1.00 1.00 C ATOM 526 O GLN A 36 -4.258 9.649 4.257 1.00 1.00 O ATOM 527 CB GLN A 36 -3.306 11.548 1.980 1.00 1.00 C ATOM 528 CG GLN A 36 -2.264 12.515 1.374 1.00 1.00 C ATOM 529 CD GLN A 36 -2.726 13.967 1.497 1.00 1.00 C ATOM 530 OE1 GLN A 36 -3.835 14.313 1.092 1.00 1.00 O ATOM 531 NE2 GLN A 36 -1.940 14.849 2.053 1.00 1.00 N ATOM 0 H GLN A 36 -1.539 10.884 3.658 1.00 1.00 H new ATOM 0 HA GLN A 36 -3.745 12.814 3.676 1.00 1.00 H new ATOM 0 HB2 GLN A 36 -3.009 10.517 1.790 1.00 1.00 H new ATOM 0 HB3 GLN A 36 -4.272 11.695 1.498 1.00 1.00 H new ATOM 0 HG2 GLN A 36 -1.308 12.390 1.882 1.00 1.00 H new ATOM 0 HG3 GLN A 36 -2.102 12.269 0.325 1.00 1.00 H new ATOM 0 HE21 GLN A 36 -1.019 14.570 2.391 1.00 1.00 H new ATOM 0 HE22 GLN A 36 -2.247 15.817 2.149 1.00 1.00 H new ATOM 593 N SER A 40 -11.893 5.910 6.350 1.00 1.00 N ATOM 594 CA SER A 40 -11.344 4.618 6.815 1.00 1.00 C ATOM 595 C SER A 40 -10.417 4.024 5.746 1.00 1.00 C ATOM 596 O SER A 40 -9.688 4.751 5.090 1.00 1.00 O ATOM 597 CB SER A 40 -12.525 3.665 7.091 1.00 1.00 C ATOM 598 OG SER A 40 -13.463 4.322 7.934 1.00 1.00 O ATOM 0 HA SER A 40 -10.761 4.762 7.725 1.00 1.00 H new ATOM 0 HB2 SER A 40 -13.000 3.373 6.154 1.00 1.00 H new ATOM 0 HB3 SER A 40 -12.168 2.751 7.565 1.00 1.00 H new ATOM 0 HG SER A 40 -13.382 5.292 7.820 1.00 1.00 H new ATOM 604 N SER A 41 -10.458 2.701 5.572 1.00 1.00 N ATOM 605 CA SER A 41 -9.617 2.033 4.574 1.00 1.00 C ATOM 606 C SER A 41 -9.859 2.625 3.186 1.00 1.00 C ATOM 607 O SER A 41 -8.917 2.833 2.423 1.00 1.00 O ATOM 608 CB SER A 41 -9.929 0.530 4.546 1.00 1.00 C ATOM 609 OG SER A 41 -9.371 -0.047 3.372 1.00 1.00 O ATOM 0 H SER A 41 -11.060 2.074 6.105 1.00 1.00 H new ATOM 0 HA SER A 41 -8.573 2.185 4.848 1.00 1.00 H new ATOM 0 HB2 SER A 41 -9.519 0.046 5.432 1.00 1.00 H new ATOM 0 HB3 SER A 41 -11.007 0.371 4.566 1.00 1.00 H new ATOM 0 HG SER A 41 -9.568 -1.007 3.354 1.00 1.00 H new ATOM 615 N GLN A 42 -11.127 2.904 2.873 1.00 1.00 N ATOM 616 CA GLN A 42 -11.499 3.475 1.575 1.00 1.00 C ATOM 617 C GLN A 42 -10.696 4.748 1.293 1.00 1.00 C ATOM 618 O GLN A 42 -10.441 5.087 0.136 1.00 1.00 O ATOM 619 CB GLN A 42 -13.006 3.795 1.562 1.00 1.00 C ATOM 620 CG GLN A 42 -13.820 2.497 1.682 1.00 1.00 C ATOM 621 CD GLN A 42 -15.318 2.807 1.707 1.00 1.00 C ATOM 622 OE1 GLN A 42 -15.724 3.961 1.567 1.00 1.00 O ATOM 623 NE2 GLN A 42 -16.179 1.840 1.873 1.00 1.00 N ATOM 0 H GLN A 42 -11.914 2.744 3.501 1.00 1.00 H new ATOM 0 HA GLN A 42 -11.274 2.745 0.797 1.00 1.00 H new ATOM 0 HB2 GLN A 42 -13.251 4.465 2.386 1.00 1.00 H new ATOM 0 HB3 GLN A 42 -13.268 4.314 0.640 1.00 1.00 H new ATOM 0 HG2 GLN A 42 -13.592 1.839 0.844 1.00 1.00 H new ATOM 0 HG3 GLN A 42 -13.537 1.965 2.591 1.00 1.00 H new ATOM 0 HE21 GLN A 42 -15.852 0.881 1.990 1.00 1.00 H new ATOM 0 HE22 GLN A 42 -17.178 2.044 1.886 1.00 1.00 H new ATOM 632 N GLU A 43 -10.299 5.449 2.357 1.00 1.00 N ATOM 633 CA GLU A 43 -9.523 6.683 2.206 1.00 1.00 C ATOM 634 C GLU A 43 -8.221 6.405 1.454 1.00 1.00 C ATOM 635 O GLU A 43 -7.745 7.239 0.687 1.00 1.00 O ATOM 636 CB GLU A 43 -9.235 7.317 3.616 1.00 1.00 C ATOM 637 CG GLU A 43 -7.875 6.851 4.226 1.00 1.00 C ATOM 638 CD GLU A 43 -7.772 7.230 5.706 1.00 1.00 C ATOM 639 OE1 GLU A 43 -8.712 6.979 6.440 1.00 1.00 O ATOM 640 OE2 GLU A 43 -6.734 7.743 6.092 1.00 1.00 O ATOM 0 H GLU A 43 -10.499 5.188 3.323 1.00 1.00 H new ATOM 0 HA GLU A 43 -10.104 7.397 1.622 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -9.234 8.403 3.527 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -10.043 7.054 4.299 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -7.776 5.771 4.117 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -7.052 7.304 3.674 1.00 1.00 H new ATOM 647 N PHE A 44 -7.643 5.230 1.692 1.00 1.00 N ATOM 648 CA PHE A 44 -6.393 4.860 1.041 1.00 1.00 C ATOM 649 C PHE A 44 -6.614 4.638 -0.441 1.00 1.00 C ATOM 650 O PHE A 44 -5.858 5.144 -1.270 1.00 1.00 O ATOM 651 CB PHE A 44 -5.824 3.582 1.682 1.00 1.00 C ATOM 652 CG PHE A 44 -4.511 3.110 1.002 1.00 1.00 C ATOM 653 CD1 PHE A 44 -3.575 4.038 0.530 1.00 1.00 C ATOM 654 CD2 PHE A 44 -4.280 1.740 0.827 1.00 1.00 C ATOM 655 CE1 PHE A 44 -2.412 3.600 -0.114 1.00 1.00 C ATOM 656 CE2 PHE A 44 -3.118 1.299 0.183 1.00 1.00 C ATOM 657 CZ PHE A 44 -2.184 2.230 -0.288 1.00 1.00 C ATOM 0 H PHE A 44 -8.018 4.524 2.326 1.00 1.00 H new ATOM 0 HA PHE A 44 -5.680 5.674 1.170 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -5.637 3.763 2.740 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -6.567 2.787 1.621 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -3.751 5.095 0.663 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -5.000 1.022 1.190 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -1.691 4.318 -0.476 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -2.942 0.242 0.050 1.00 1.00 H new ATOM 0 HZ PHE A 44 -1.287 1.891 -0.786 1.00 1.00 H new ATOM 667 N ILE A 45 -7.658 3.873 -0.773 1.00 1.00 N ATOM 668 CA ILE A 45 -7.974 3.573 -2.174 1.00 1.00 C ATOM 669 C ILE A 45 -8.063 4.889 -2.959 1.00 1.00 C ATOM 670 O ILE A 45 -7.751 4.940 -4.149 1.00 1.00 O ATOM 671 CB ILE A 45 -9.316 2.768 -2.280 1.00 1.00 C ATOM 672 CG1 ILE A 45 -9.091 1.286 -1.859 1.00 1.00 C ATOM 673 CG2 ILE A 45 -9.865 2.781 -3.743 1.00 1.00 C ATOM 674 CD1 ILE A 45 -8.574 1.181 -0.419 1.00 1.00 C ATOM 0 H ILE A 45 -8.295 3.452 -0.097 1.00 1.00 H new ATOM 0 HA ILE A 45 -7.185 2.953 -2.599 1.00 1.00 H new ATOM 0 HB ILE A 45 -10.036 3.246 -1.616 1.00 1.00 H new ATOM 0 HG12 ILE A 45 -10.027 0.735 -1.951 1.00 1.00 H new ATOM 0 HG13 ILE A 45 -8.377 0.819 -2.538 1.00 1.00 H new ATOM 0 HG21 ILE A 45 -10.796 2.216 -3.787 1.00 1.00 H new ATOM 0 HG22 ILE A 45 -10.050 3.809 -4.053 1.00 1.00 H new ATOM 0 HG23 ILE A 45 -9.133 2.327 -4.411 1.00 1.00 H new ATOM 0 HD11 ILE A 45 -8.429 0.132 -0.160 1.00 1.00 H new ATOM 0 HD12 ILE A 45 -7.625 1.711 -0.334 1.00 1.00 H new ATOM 0 HD13 ILE A 45 -9.300 1.625 0.262 1.00 1.00 H new ATOM 686 N ASP A 46 -8.503 5.943 -2.275 1.00 1.00 N ATOM 687 CA ASP A 46 -8.648 7.260 -2.911 1.00 1.00 C ATOM 688 C ASP A 46 -7.284 7.890 -3.211 1.00 1.00 C ATOM 689 O ASP A 46 -7.113 8.537 -4.244 1.00 1.00 O ATOM 690 CB ASP A 46 -9.473 8.193 -2.008 1.00 1.00 C ATOM 691 CG ASP A 46 -10.818 7.547 -1.674 1.00 1.00 C ATOM 692 OD1 ASP A 46 -11.303 6.779 -2.487 1.00 1.00 O ATOM 693 OD2 ASP A 46 -11.334 7.830 -0.604 1.00 1.00 O ATOM 0 H ASP A 46 -8.764 5.917 -1.289 1.00 1.00 H new ATOM 0 HA ASP A 46 -9.168 7.120 -3.858 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -8.924 8.403 -1.090 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -9.634 9.148 -2.509 1.00 1.00 H new ATOM 698 N TYR A 47 -6.318 7.704 -2.307 1.00 1.00 N ATOM 699 CA TYR A 47 -4.977 8.269 -2.501 1.00 1.00 C ATOM 700 C TYR A 47 -4.253 7.614 -3.689 1.00 1.00 C ATOM 701 O TYR A 47 -3.741 8.303 -4.574 1.00 1.00 O ATOM 702 CB TYR A 47 -4.144 8.050 -1.218 1.00 1.00 C ATOM 703 CG TYR A 47 -2.709 8.508 -1.470 1.00 1.00 C ATOM 704 CD1 TYR A 47 -2.375 9.862 -1.341 1.00 1.00 C ATOM 705 CD2 TYR A 47 -1.742 7.588 -1.890 1.00 1.00 C ATOM 706 CE1 TYR A 47 -1.076 10.297 -1.629 1.00 1.00 C ATOM 707 CE2 TYR A 47 -0.442 8.019 -2.180 1.00 1.00 C ATOM 708 CZ TYR A 47 -0.111 9.373 -2.050 1.00 1.00 C ATOM 709 OH TYR A 47 1.169 9.792 -2.339 1.00 1.00 O ATOM 0 H TYR A 47 -6.435 7.174 -1.444 1.00 1.00 H new ATOM 0 HA TYR A 47 -5.085 9.333 -2.713 1.00 1.00 H new ATOM 0 HB2 TYR A 47 -4.577 8.609 -0.388 1.00 1.00 H new ATOM 0 HB3 TYR A 47 -4.159 6.997 -0.935 1.00 1.00 H new ATOM 0 HD1 TYR A 47 -3.122 10.572 -1.018 1.00 1.00 H new ATOM 0 HD2 TYR A 47 -1.999 6.544 -1.991 1.00 1.00 H new ATOM 0 HE1 TYR A 47 -0.819 11.341 -1.527 1.00 1.00 H new ATOM 0 HE2 TYR A 47 0.304 7.308 -2.503 1.00 1.00 H new ATOM 0 HH TYR A 47 1.425 10.510 -1.723 1.00 1.00 H new ATOM 719 N ILE A 48 -4.192 6.284 -3.678 1.00 1.00 N ATOM 720 CA ILE A 48 -3.497 5.532 -4.740 1.00 1.00 C ATOM 721 C ILE A 48 -4.189 5.792 -6.083 1.00 1.00 C ATOM 722 O ILE A 48 -3.570 5.688 -7.139 1.00 1.00 O ATOM 723 CB ILE A 48 -3.423 3.976 -4.417 1.00 1.00 C ATOM 724 CG1 ILE A 48 -4.349 3.629 -3.225 1.00 1.00 C ATOM 725 CG2 ILE A 48 -1.970 3.552 -4.070 1.00 1.00 C ATOM 726 CD1 ILE A 48 -4.504 2.105 -3.071 1.00 1.00 C ATOM 0 H ILE A 48 -4.610 5.701 -2.953 1.00 1.00 H new ATOM 0 HA ILE A 48 -2.467 5.883 -4.795 1.00 1.00 H new ATOM 0 HB ILE A 48 -3.750 3.435 -5.305 1.00 1.00 H new ATOM 0 HG12 ILE A 48 -3.939 4.051 -2.307 1.00 1.00 H new ATOM 0 HG13 ILE A 48 -5.328 4.084 -3.376 1.00 1.00 H new ATOM 0 HG21 ILE A 48 -1.945 2.484 -3.853 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -1.317 3.766 -4.916 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -1.627 4.108 -3.197 1.00 1.00 H new ATOM 0 HD11 ILE A 48 -5.159 1.889 -2.227 1.00 1.00 H new ATOM 0 HD12 ILE A 48 -4.936 1.689 -3.981 1.00 1.00 H new ATOM 0 HD13 ILE A 48 -3.526 1.656 -2.896 1.00 1.00 H new ATOM 738 N HIS A 49 -5.482 6.127 -6.029 1.00 1.00 N ATOM 739 CA HIS A 49 -6.263 6.396 -7.244 1.00 1.00 C ATOM 740 C HIS A 49 -6.213 7.882 -7.624 1.00 1.00 C ATOM 741 O HIS A 49 -6.465 8.235 -8.776 1.00 1.00 O ATOM 742 CB HIS A 49 -7.716 5.975 -6.973 1.00 1.00 C ATOM 743 CG HIS A 49 -8.572 6.170 -8.199 1.00 1.00 C ATOM 744 ND1 HIS A 49 -9.188 7.378 -8.482 1.00 1.00 N ATOM 745 CD2 HIS A 49 -8.938 5.315 -9.210 1.00 1.00 C ATOM 746 CE1 HIS A 49 -9.883 7.216 -9.619 1.00 1.00 C ATOM 747 NE2 HIS A 49 -9.769 5.980 -10.111 1.00 1.00 N ATOM 0 H HIS A 49 -6.010 6.219 -5.161 1.00 1.00 H new ATOM 0 HA HIS A 49 -5.843 5.832 -8.077 1.00 1.00 H new ATOM 0 HB2 HIS A 49 -7.745 4.929 -6.668 1.00 1.00 H new ATOM 0 HB3 HIS A 49 -8.120 6.560 -6.146 1.00 1.00 H new ATOM 0 HD2 HIS A 49 -8.629 4.284 -9.294 1.00 1.00 H new ATOM 0 HE1 HIS A 49 -10.468 7.997 -10.083 1.00 1.00 H new ATOM 0 HE2 HIS A 49 -10.195 5.605 -10.958 1.00 1.00 H new ATOM 756 N SER A 50 -5.910 8.756 -6.655 1.00 1.00 N ATOM 757 CA SER A 50 -5.860 10.206 -6.907 1.00 1.00 C ATOM 758 C SER A 50 -4.524 10.616 -7.530 1.00 1.00 C ATOM 759 O SER A 50 -4.390 11.730 -8.040 1.00 1.00 O ATOM 760 CB SER A 50 -6.078 10.957 -5.583 1.00 1.00 C ATOM 761 OG SER A 50 -7.433 10.801 -5.179 1.00 1.00 O ATOM 0 H SER A 50 -5.697 8.488 -5.694 1.00 1.00 H new ATOM 0 HA SER A 50 -6.649 10.464 -7.614 1.00 1.00 H new ATOM 0 HB2 SER A 50 -5.409 10.568 -4.815 1.00 1.00 H new ATOM 0 HB3 SER A 50 -5.841 12.014 -5.706 1.00 1.00 H new ATOM 0 HG SER A 50 -7.614 9.855 -4.999 1.00 1.00 H new ATOM 767 N LYS A 51 -3.535 9.714 -7.491 1.00 1.00 N ATOM 768 CA LYS A 51 -2.203 9.988 -8.058 1.00 1.00 C ATOM 769 C LYS A 51 -2.119 9.442 -9.479 1.00 1.00 C ATOM 770 O LYS A 51 -3.139 9.099 -10.078 1.00 1.00 O ATOM 771 CB LYS A 51 -1.113 9.363 -7.151 1.00 1.00 C ATOM 772 CG LYS A 51 -1.070 10.065 -5.757 1.00 1.00 C ATOM 773 CD LYS A 51 -0.399 11.463 -5.837 1.00 1.00 C ATOM 774 CE LYS A 51 -0.379 12.105 -4.447 1.00 1.00 C ATOM 775 NZ LYS A 51 -1.780 12.263 -3.968 1.00 1.00 N ATOM 0 H LYS A 51 -3.629 8.788 -7.074 1.00 1.00 H new ATOM 0 HA LYS A 51 -2.038 11.065 -8.101 1.00 1.00 H new ATOM 0 HB2 LYS A 51 -1.311 8.299 -7.020 1.00 1.00 H new ATOM 0 HB3 LYS A 51 -0.140 9.449 -7.635 1.00 1.00 H new ATOM 0 HG2 LYS A 51 -2.084 10.170 -5.371 1.00 1.00 H new ATOM 0 HG3 LYS A 51 -0.524 9.439 -5.051 1.00 1.00 H new ATOM 0 HD2 LYS A 51 0.617 11.368 -6.219 1.00 1.00 H new ATOM 0 HD3 LYS A 51 -0.944 12.099 -6.534 1.00 1.00 H new ATOM 0 HE2 LYS A 51 0.189 11.485 -3.753 1.00 1.00 H new ATOM 0 HE3 LYS A 51 0.117 13.075 -4.487 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 -1.911 13.222 -3.589 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 -2.437 12.111 -4.760 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 -1.972 11.566 -3.220 1.00 1.00 H new ATOM 789 N LYS A 52 -0.897 9.417 -10.031 1.00 1.00 N ATOM 790 CA LYS A 52 -0.643 8.959 -11.412 1.00 1.00 C ATOM 791 C LYS A 52 0.518 7.953 -11.441 1.00 1.00 C ATOM 792 O LYS A 52 1.329 7.891 -10.518 1.00 1.00 O ATOM 793 CB LYS A 52 -0.304 10.193 -12.292 1.00 1.00 C ATOM 794 CG LYS A 52 -1.558 11.134 -12.490 1.00 1.00 C ATOM 795 CD LYS A 52 -2.223 10.948 -13.882 1.00 1.00 C ATOM 796 CE LYS A 52 -2.777 9.522 -14.052 1.00 1.00 C ATOM 797 NZ LYS A 52 -3.613 9.462 -15.289 1.00 1.00 N ATOM 0 H LYS A 52 -0.055 9.713 -9.536 1.00 1.00 H new ATOM 0 HA LYS A 52 -1.532 8.460 -11.799 1.00 1.00 H new ATOM 0 HB2 LYS A 52 0.505 10.758 -11.830 1.00 1.00 H new ATOM 0 HB3 LYS A 52 0.056 9.858 -13.265 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -2.291 10.928 -11.710 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -1.251 12.173 -12.373 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -3.030 11.671 -14.001 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -1.494 11.153 -14.666 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -1.957 8.806 -14.118 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -3.373 9.245 -13.182 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -3.989 8.500 -15.407 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -4.402 10.135 -15.208 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -3.030 9.710 -16.114 1.00 1.00 H new ATOM 811 N VAL A 53 0.569 7.159 -12.508 1.00 1.00 N ATOM 812 CA VAL A 53 1.611 6.139 -12.671 1.00 1.00 C ATOM 813 C VAL A 53 2.988 6.800 -12.798 1.00 1.00 C ATOM 814 O VAL A 53 3.134 7.835 -13.448 1.00 1.00 O ATOM 815 CB VAL A 53 1.312 5.287 -13.926 1.00 1.00 C ATOM 816 CG1 VAL A 53 2.277 4.086 -14.002 1.00 1.00 C ATOM 817 CG2 VAL A 53 -0.142 4.778 -13.864 1.00 1.00 C ATOM 0 H VAL A 53 -0.100 7.200 -13.277 1.00 1.00 H new ATOM 0 HA VAL A 53 1.617 5.494 -11.792 1.00 1.00 H new ATOM 0 HB VAL A 53 1.449 5.904 -14.814 1.00 1.00 H new ATOM 0 HG11 VAL A 53 2.054 3.496 -14.891 1.00 1.00 H new ATOM 0 HG12 VAL A 53 3.304 4.447 -14.055 1.00 1.00 H new ATOM 0 HG13 VAL A 53 2.156 3.465 -13.114 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -0.355 4.177 -14.748 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -0.276 4.169 -12.970 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -0.824 5.628 -13.830 1.00 1.00 H new ATOM 827 N GLY A 54 3.998 6.186 -12.168 1.00 1.00 N ATOM 828 CA GLY A 54 5.380 6.702 -12.202 1.00 1.00 C ATOM 829 C GLY A 54 5.661 7.581 -10.988 1.00 1.00 C ATOM 830 O GLY A 54 6.812 7.908 -10.700 1.00 1.00 O ATOM 0 H GLY A 54 3.887 5.329 -11.626 1.00 1.00 H new ATOM 0 HA2 GLY A 54 6.083 5.869 -12.224 1.00 1.00 H new ATOM 0 HA3 GLY A 54 5.536 7.276 -13.116 1.00 1.00 H new ATOM 834 N ASP A 55 4.601 7.953 -10.275 1.00 1.00 N ATOM 835 CA ASP A 55 4.733 8.788 -9.079 1.00 1.00 C ATOM 836 C ASP A 55 5.436 8.001 -7.981 1.00 1.00 C ATOM 837 O ASP A 55 6.016 6.945 -8.237 1.00 1.00 O ATOM 838 CB ASP A 55 3.332 9.231 -8.606 1.00 1.00 C ATOM 839 CG ASP A 55 2.671 10.115 -9.676 1.00 1.00 C ATOM 840 OD1 ASP A 55 3.200 10.165 -10.774 1.00 1.00 O ATOM 841 OD2 ASP A 55 1.663 10.732 -9.373 1.00 1.00 O ATOM 0 H ASP A 55 3.642 7.691 -10.502 1.00 1.00 H new ATOM 0 HA ASP A 55 5.326 9.673 -9.312 1.00 1.00 H new ATOM 0 HB2 ASP A 55 2.712 8.356 -8.411 1.00 1.00 H new ATOM 0 HB3 ASP A 55 3.413 9.780 -7.668 1.00 1.00 H new ATOM 846 N THR A 56 5.362 8.506 -6.744 1.00 1.00 N ATOM 847 CA THR A 56 5.970 7.849 -5.577 1.00 1.00 C ATOM 848 C THR A 56 5.029 7.989 -4.384 1.00 1.00 C ATOM 849 O THR A 56 4.220 8.917 -4.337 1.00 1.00 O ATOM 850 CB THR A 56 7.315 8.505 -5.249 1.00 1.00 C ATOM 851 OG1 THR A 56 7.093 9.869 -4.924 1.00 1.00 O ATOM 852 CG2 THR A 56 8.258 8.412 -6.457 1.00 1.00 C ATOM 0 H THR A 56 4.881 9.378 -6.522 1.00 1.00 H new ATOM 0 HA THR A 56 6.136 6.795 -5.798 1.00 1.00 H new ATOM 0 HB THR A 56 7.774 7.989 -4.406 1.00 1.00 H new ATOM 0 HG1 THR A 56 7.948 10.298 -4.711 1.00 1.00 H new ATOM 0 HG21 THR A 56 9.211 8.882 -6.212 1.00 1.00 H new ATOM 0 HG22 THR A 56 8.424 7.365 -6.709 1.00 1.00 H new ATOM 0 HG23 THR A 56 7.810 8.924 -7.309 1.00 1.00 H new ATOM 860 N VAL A 57 5.116 7.056 -3.430 1.00 1.00 N ATOM 861 CA VAL A 57 4.247 7.064 -2.233 1.00 1.00 C ATOM 862 C VAL A 57 5.036 6.659 -0.990 1.00 1.00 C ATOM 863 O VAL A 57 6.015 5.918 -1.072 1.00 1.00 O ATOM 864 CB VAL A 57 3.072 6.073 -2.454 1.00 1.00 C ATOM 865 CG1 VAL A 57 3.629 4.705 -2.892 1.00 1.00 C ATOM 866 CG2 VAL A 57 2.213 5.907 -1.166 1.00 1.00 C ATOM 0 H VAL A 57 5.779 6.281 -3.458 1.00 1.00 H new ATOM 0 HA VAL A 57 3.861 8.072 -2.080 1.00 1.00 H new ATOM 0 HB VAL A 57 2.427 6.479 -3.234 1.00 1.00 H new ATOM 0 HG11 VAL A 57 2.804 4.009 -3.047 1.00 1.00 H new ATOM 0 HG12 VAL A 57 4.187 4.820 -3.821 1.00 1.00 H new ATOM 0 HG13 VAL A 57 4.291 4.317 -2.118 1.00 1.00 H new ATOM 0 HG21 VAL A 57 1.400 5.206 -1.358 1.00 1.00 H new ATOM 0 HG22 VAL A 57 2.838 5.525 -0.359 1.00 1.00 H new ATOM 0 HG23 VAL A 57 1.799 6.873 -0.878 1.00 1.00 H new ATOM 876 N LYS A 58 4.549 7.120 0.167 1.00 1.00 N ATOM 877 CA LYS A 58 5.132 6.793 1.474 1.00 1.00 C ATOM 878 C LYS A 58 4.048 6.128 2.320 1.00 1.00 C ATOM 879 O LYS A 58 3.066 6.768 2.685 1.00 1.00 O ATOM 880 CB LYS A 58 5.604 8.083 2.158 1.00 1.00 C ATOM 881 CG LYS A 58 6.671 8.770 1.289 1.00 1.00 C ATOM 882 CD LYS A 58 7.233 10.026 1.996 1.00 1.00 C ATOM 883 CE LYS A 58 6.143 11.107 2.194 1.00 1.00 C ATOM 884 NZ LYS A 58 6.802 12.411 2.492 1.00 1.00 N ATOM 0 H LYS A 58 3.736 7.733 0.224 1.00 1.00 H new ATOM 0 HA LYS A 58 5.984 6.123 1.357 1.00 1.00 H new ATOM 0 HB2 LYS A 58 4.759 8.754 2.312 1.00 1.00 H new ATOM 0 HB3 LYS A 58 6.014 7.855 3.142 1.00 1.00 H new ATOM 0 HG2 LYS A 58 7.481 8.071 1.081 1.00 1.00 H new ATOM 0 HG3 LYS A 58 6.238 9.051 0.329 1.00 1.00 H new ATOM 0 HD2 LYS A 58 7.646 9.744 2.964 1.00 1.00 H new ATOM 0 HD3 LYS A 58 8.052 10.439 1.408 1.00 1.00 H new ATOM 0 HE2 LYS A 58 5.529 11.192 1.297 1.00 1.00 H new ATOM 0 HE3 LYS A 58 5.478 10.826 3.010 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 6.076 13.144 2.627 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 7.370 12.323 3.359 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 7.420 12.677 1.699 1.00 1.00 H new ATOM 898 N ILE A 59 4.230 4.837 2.608 1.00 1.00 N ATOM 899 CA ILE A 59 3.261 4.053 3.391 1.00 1.00 C ATOM 900 C ILE A 59 3.746 3.964 4.843 1.00 1.00 C ATOM 901 O ILE A 59 4.923 3.722 5.088 1.00 1.00 O ATOM 902 CB ILE A 59 3.122 2.627 2.784 1.00 1.00 C ATOM 903 CG1 ILE A 59 2.649 2.661 1.284 1.00 1.00 C ATOM 904 CG2 ILE A 59 2.079 1.813 3.583 1.00 1.00 C ATOM 905 CD1 ILE A 59 3.833 2.542 0.335 1.00 1.00 C ATOM 0 H ILE A 59 5.047 4.305 2.309 1.00 1.00 H new ATOM 0 HA ILE A 59 2.286 4.540 3.364 1.00 1.00 H new ATOM 0 HB ILE A 59 4.110 2.169 2.836 1.00 1.00 H new ATOM 0 HG12 ILE A 59 1.949 1.846 1.101 1.00 1.00 H new ATOM 0 HG13 ILE A 59 2.114 3.590 1.089 1.00 1.00 H new ATOM 0 HG21 ILE A 59 1.988 0.816 3.152 1.00 1.00 H new ATOM 0 HG22 ILE A 59 2.399 1.731 4.622 1.00 1.00 H new ATOM 0 HG23 ILE A 59 1.113 2.317 3.540 1.00 1.00 H new ATOM 0 HD11 ILE A 59 3.478 2.568 -0.695 1.00 1.00 H new ATOM 0 HD12 ILE A 59 4.519 3.372 0.503 1.00 1.00 H new ATOM 0 HD13 ILE A 59 4.351 1.600 0.516 1.00 1.00 H new ATOM 917 N LYS A 60 2.810 4.104 5.796 1.00 1.00 N ATOM 918 CA LYS A 60 3.107 3.989 7.236 1.00 1.00 C ATOM 919 C LYS A 60 2.424 2.708 7.694 1.00 1.00 C ATOM 920 O LYS A 60 1.197 2.624 7.676 1.00 1.00 O ATOM 921 CB LYS A 60 2.535 5.221 7.997 1.00 1.00 C ATOM 922 CG LYS A 60 3.093 5.292 9.422 1.00 1.00 C ATOM 923 CD LYS A 60 2.563 6.543 10.141 1.00 1.00 C ATOM 924 CE LYS A 60 3.144 6.614 11.557 1.00 1.00 C ATOM 925 NZ LYS A 60 2.651 7.843 12.235 1.00 1.00 N ATOM 0 H LYS A 60 1.830 4.299 5.593 1.00 1.00 H new ATOM 0 HA LYS A 60 4.179 3.960 7.433 1.00 1.00 H new ATOM 0 HB2 LYS A 60 2.786 6.135 7.458 1.00 1.00 H new ATOM 0 HB3 LYS A 60 1.447 5.159 8.031 1.00 1.00 H new ATOM 0 HG2 LYS A 60 2.808 4.398 9.976 1.00 1.00 H new ATOM 0 HG3 LYS A 60 4.182 5.315 9.392 1.00 1.00 H new ATOM 0 HD2 LYS A 60 2.835 7.438 9.581 1.00 1.00 H new ATOM 0 HD3 LYS A 60 1.474 6.514 10.186 1.00 1.00 H new ATOM 0 HE2 LYS A 60 2.853 5.731 12.126 1.00 1.00 H new ATOM 0 HE3 LYS A 60 4.233 6.621 11.515 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 3.045 7.891 13.196 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 2.950 8.681 11.696 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 1.613 7.818 12.288 1.00 1.00 H new ATOM 939 N TYR A 61 3.200 1.696 8.085 1.00 1.00 N ATOM 940 CA TYR A 61 2.624 0.421 8.514 1.00 1.00 C ATOM 941 C TYR A 61 3.534 -0.229 9.547 1.00 1.00 C ATOM 942 O TYR A 61 4.719 0.079 9.601 1.00 1.00 O ATOM 943 CB TYR A 61 2.421 -0.460 7.249 1.00 1.00 C ATOM 944 CG TYR A 61 3.754 -1.044 6.752 1.00 1.00 C ATOM 945 CD1 TYR A 61 4.264 -2.211 7.335 1.00 1.00 C ATOM 946 CD2 TYR A 61 4.469 -0.423 5.721 1.00 1.00 C ATOM 947 CE1 TYR A 61 5.476 -2.754 6.893 1.00 1.00 C ATOM 948 CE2 TYR A 61 5.682 -0.962 5.274 1.00 1.00 C ATOM 949 CZ TYR A 61 6.186 -2.128 5.861 1.00 1.00 C ATOM 950 OH TYR A 61 7.382 -2.662 5.422 1.00 1.00 O ATOM 0 H TYR A 61 4.219 1.733 8.114 1.00 1.00 H new ATOM 0 HA TYR A 61 1.656 0.559 8.996 1.00 1.00 H new ATOM 0 HB2 TYR A 61 1.729 -1.271 7.476 1.00 1.00 H new ATOM 0 HB3 TYR A 61 1.966 0.136 6.458 1.00 1.00 H new ATOM 0 HD1 TYR A 61 3.718 -2.695 8.131 1.00 1.00 H new ATOM 0 HD2 TYR A 61 4.083 0.478 5.267 1.00 1.00 H new ATOM 0 HE1 TYR A 61 5.863 -3.654 7.347 1.00 1.00 H new ATOM 0 HE2 TYR A 61 6.228 -0.478 4.477 1.00 1.00 H new ATOM 0 HH TYR A 61 7.203 -3.424 4.832 1.00 1.00 H new ATOM 960 N LYS A 62 2.977 -1.114 10.377 1.00 1.00 N ATOM 961 CA LYS A 62 3.747 -1.803 11.428 1.00 1.00 C ATOM 962 C LYS A 62 3.575 -3.322 11.296 1.00 1.00 C ATOM 963 O LYS A 62 2.472 -3.850 11.404 1.00 1.00 O ATOM 964 CB LYS A 62 3.272 -1.303 12.821 1.00 1.00 C ATOM 965 CG LYS A 62 1.741 -1.420 12.959 1.00 1.00 C ATOM 966 CD LYS A 62 1.283 -0.854 14.313 1.00 1.00 C ATOM 967 CE LYS A 62 -0.240 -0.990 14.435 1.00 1.00 C ATOM 968 NZ LYS A 62 -0.886 -0.258 13.311 1.00 1.00 N ATOM 0 H LYS A 62 1.991 -1.375 10.345 1.00 1.00 H new ATOM 0 HA LYS A 62 4.808 -1.576 11.319 1.00 1.00 H new ATOM 0 HB2 LYS A 62 3.757 -1.885 13.605 1.00 1.00 H new ATOM 0 HB3 LYS A 62 3.575 -0.265 12.961 1.00 1.00 H new ATOM 0 HG2 LYS A 62 1.253 -0.880 12.148 1.00 1.00 H new ATOM 0 HG3 LYS A 62 1.440 -2.464 12.873 1.00 1.00 H new ATOM 0 HD2 LYS A 62 1.773 -1.388 15.127 1.00 1.00 H new ATOM 0 HD3 LYS A 62 1.573 0.193 14.399 1.00 1.00 H new ATOM 0 HE2 LYS A 62 -0.527 -2.041 14.413 1.00 1.00 H new ATOM 0 HE3 LYS A 62 -0.578 -0.587 15.390 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 -1.591 0.407 13.689 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 -0.164 0.269 12.779 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 -1.355 -0.937 12.678 1.00 1.00 H new ATOM 982 N HIS A 63 4.681 -4.035 11.052 1.00 1.00 N ATOM 983 CA HIS A 63 4.637 -5.494 10.923 1.00 1.00 C ATOM 984 C HIS A 63 4.843 -6.087 12.312 1.00 1.00 C ATOM 985 O HIS A 63 5.963 -6.127 12.815 1.00 1.00 O ATOM 986 CB HIS A 63 5.747 -5.981 9.963 1.00 1.00 C ATOM 987 CG HIS A 63 5.644 -7.478 9.776 1.00 1.00 C ATOM 988 ND1 HIS A 63 4.576 -8.064 9.117 1.00 1.00 N ATOM 989 CD2 HIS A 63 6.446 -8.515 10.190 1.00 1.00 C ATOM 990 CE1 HIS A 63 4.762 -9.393 9.154 1.00 1.00 C ATOM 991 NE2 HIS A 63 5.884 -9.727 9.794 1.00 1.00 N ATOM 0 H HIS A 63 5.610 -3.628 10.941 1.00 1.00 H new ATOM 0 HA HIS A 63 3.678 -5.811 10.512 1.00 1.00 H new ATOM 0 HB2 HIS A 63 5.654 -5.478 9.000 1.00 1.00 H new ATOM 0 HB3 HIS A 63 6.727 -5.722 10.365 1.00 1.00 H new ATOM 0 HD2 HIS A 63 7.370 -8.407 10.738 1.00 1.00 H new ATOM 0 HE1 HIS A 63 4.082 -10.109 8.716 1.00 1.00 H new ATOM 0 HE2 HIS A 63 6.250 -10.665 9.958 1.00 1.00 H new ATOM 1000 N GLY A 64 3.754 -6.526 12.944 1.00 1.00 N ATOM 1001 CA GLY A 64 3.821 -7.091 14.297 1.00 1.00 C ATOM 1002 C GLY A 64 3.798 -5.991 15.367 1.00 1.00 C ATOM 1003 O GLY A 64 2.778 -5.322 15.547 1.00 1.00 O ATOM 0 H GLY A 64 2.816 -6.502 12.544 1.00 1.00 H new ATOM 0 HA2 GLY A 64 2.981 -7.768 14.452 1.00 1.00 H new ATOM 0 HA3 GLY A 64 4.731 -7.682 14.401 1.00 1.00 H new ATOM 1007 N ASN A 65 4.928 -5.813 16.081 1.00 1.00 N ATOM 1008 CA ASN A 65 5.050 -4.794 17.154 1.00 1.00 C ATOM 1009 C ASN A 65 6.068 -3.705 16.793 1.00 1.00 C ATOM 1010 O ASN A 65 6.264 -2.766 17.566 1.00 1.00 O ATOM 1011 CB ASN A 65 5.491 -5.487 18.453 1.00 1.00 C ATOM 1012 CG ASN A 65 4.466 -6.546 18.850 1.00 1.00 C ATOM 1013 OD1 ASN A 65 3.329 -6.224 19.188 1.00 1.00 O ATOM 1014 ND2 ASN A 65 4.794 -7.809 18.822 1.00 1.00 N ATOM 0 H ASN A 65 5.775 -6.362 15.936 1.00 1.00 H new ATOM 0 HA ASN A 65 4.079 -4.316 17.280 1.00 1.00 H new ATOM 0 HB2 ASN A 65 6.469 -5.948 18.316 1.00 1.00 H new ATOM 0 HB3 ASN A 65 5.595 -4.752 19.251 1.00 1.00 H new ATOM 0 HD21 ASN A 65 4.109 -8.520 19.079 1.00 1.00 H new ATOM 0 HD22 ASN A 65 5.735 -8.085 18.543 1.00 1.00 H new ATOM 1021 N LYS A 66 6.728 -3.835 15.627 1.00 1.00 N ATOM 1022 CA LYS A 66 7.749 -2.856 15.177 1.00 1.00 C ATOM 1023 C LYS A 66 7.201 -1.965 14.051 1.00 1.00 C ATOM 1024 O LYS A 66 6.571 -2.445 13.108 1.00 1.00 O ATOM 1025 CB LYS A 66 9.015 -3.611 14.696 1.00 1.00 C ATOM 1026 CG LYS A 66 8.657 -4.646 13.618 1.00 1.00 C ATOM 1027 CD LYS A 66 9.922 -5.399 13.172 1.00 1.00 C ATOM 1028 CE LYS A 66 9.559 -6.435 12.099 1.00 1.00 C ATOM 1029 NZ LYS A 66 10.788 -7.153 11.657 1.00 1.00 N ATOM 0 H LYS A 66 6.576 -4.606 14.976 1.00 1.00 H new ATOM 0 HA LYS A 66 8.008 -2.212 16.017 1.00 1.00 H new ATOM 0 HB2 LYS A 66 9.739 -2.900 14.298 1.00 1.00 H new ATOM 0 HB3 LYS A 66 9.490 -4.109 15.541 1.00 1.00 H new ATOM 0 HG2 LYS A 66 7.923 -5.351 14.008 1.00 1.00 H new ATOM 0 HG3 LYS A 66 8.199 -4.149 12.763 1.00 1.00 H new ATOM 0 HD2 LYS A 66 10.655 -4.695 12.778 1.00 1.00 H new ATOM 0 HD3 LYS A 66 10.382 -5.894 14.027 1.00 1.00 H new ATOM 0 HE2 LYS A 66 8.834 -7.146 12.496 1.00 1.00 H new ATOM 0 HE3 LYS A 66 9.089 -5.942 11.248 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 10.538 -7.854 10.930 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 11.466 -6.470 11.261 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 11.219 -7.637 12.471 1.00 1.00 H new ATOM 1043 N ASN A 67 7.441 -0.649 14.167 1.00 1.00 N ATOM 1044 CA ASN A 67 6.977 0.318 13.168 1.00 1.00 C ATOM 1045 C ASN A 67 7.980 0.389 12.011 1.00 1.00 C ATOM 1046 O ASN A 67 9.150 0.723 12.208 1.00 1.00 O ATOM 1047 CB ASN A 67 6.823 1.707 13.814 1.00 1.00 C ATOM 1048 CG ASN A 67 6.234 2.698 12.808 1.00 1.00 C ATOM 1049 OD1 ASN A 67 5.378 2.331 12.002 1.00 1.00 O ATOM 1050 ND2 ASN A 67 6.642 3.937 12.790 1.00 1.00 N ATOM 0 H ASN A 67 7.954 -0.233 14.944 1.00 1.00 H new ATOM 0 HA ASN A 67 6.009 -0.003 12.783 1.00 1.00 H new ATOM 0 HB2 ASN A 67 6.177 1.639 14.689 1.00 1.00 H new ATOM 0 HB3 ASN A 67 7.793 2.064 14.161 1.00 1.00 H new ATOM 0 HD21 ASN A 67 6.252 4.592 12.112 1.00 1.00 H new ATOM 0 HD22 ASN A 67 7.350 4.250 13.454 1.00 1.00 H new ATOM 1057 N GLU A 68 7.497 0.060 10.810 1.00 1.00 N ATOM 1058 CA GLU A 68 8.312 0.062 9.580 1.00 1.00 C ATOM 1059 C GLU A 68 7.724 1.039 8.565 1.00 1.00 C ATOM 1060 O GLU A 68 6.527 1.309 8.571 1.00 1.00 O ATOM 1061 CB GLU A 68 8.334 -1.357 8.982 1.00 1.00 C ATOM 1062 CG GLU A 68 8.992 -2.325 9.975 1.00 1.00 C ATOM 1063 CD GLU A 68 9.026 -3.739 9.398 1.00 1.00 C ATOM 1064 OE1 GLU A 68 8.020 -4.174 8.862 1.00 1.00 O ATOM 1065 OE2 GLU A 68 10.062 -4.375 9.501 1.00 1.00 O ATOM 0 H GLU A 68 6.527 -0.217 10.657 1.00 1.00 H new ATOM 0 HA GLU A 68 9.328 0.373 9.822 1.00 1.00 H new ATOM 0 HB2 GLU A 68 7.318 -1.684 8.759 1.00 1.00 H new ATOM 0 HB3 GLU A 68 8.883 -1.357 8.040 1.00 1.00 H new ATOM 0 HG2 GLU A 68 10.006 -1.993 10.199 1.00 1.00 H new ATOM 0 HG3 GLU A 68 8.440 -2.322 10.915 1.00 1.00 H new ATOM 1072 N GLU A 69 8.581 1.573 7.690 1.00 1.00 N ATOM 1073 CA GLU A 69 8.156 2.526 6.651 1.00 1.00 C ATOM 1074 C GLU A 69 8.891 2.215 5.353 1.00 1.00 C ATOM 1075 O GLU A 69 10.105 2.007 5.348 1.00 1.00 O ATOM 1076 CB GLU A 69 8.462 3.970 7.100 1.00 1.00 C ATOM 1077 CG GLU A 69 7.958 4.992 6.063 1.00 1.00 C ATOM 1078 CD GLU A 69 8.177 6.426 6.552 1.00 1.00 C ATOM 1079 OE1 GLU A 69 8.933 6.624 7.487 1.00 1.00 O ATOM 1080 OE2 GLU A 69 7.560 7.316 5.988 1.00 1.00 O ATOM 0 H GLU A 69 9.579 1.362 7.678 1.00 1.00 H new ATOM 0 HA GLU A 69 7.082 2.432 6.491 1.00 1.00 H new ATOM 0 HB2 GLU A 69 7.990 4.162 8.064 1.00 1.00 H new ATOM 0 HB3 GLU A 69 9.536 4.090 7.241 1.00 1.00 H new ATOM 0 HG2 GLU A 69 8.480 4.843 5.118 1.00 1.00 H new ATOM 0 HG3 GLU A 69 6.898 4.828 5.871 1.00 1.00 H new ATOM 1087 N ALA A 70 8.141 2.181 4.252 1.00 1.00 N ATOM 1088 CA ALA A 70 8.704 1.893 2.933 1.00 1.00 C ATOM 1089 C ALA A 70 7.942 2.664 1.863 1.00 1.00 C ATOM 1090 O ALA A 70 6.757 2.961 2.016 1.00 1.00 O ATOM 1091 CB ALA A 70 8.631 0.384 2.645 1.00 1.00 C ATOM 0 H ALA A 70 7.135 2.351 4.248 1.00 1.00 H new ATOM 0 HA ALA A 70 9.748 2.204 2.920 1.00 1.00 H new ATOM 0 HB1 ALA A 70 9.053 0.181 1.661 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.198 -0.159 3.402 1.00 1.00 H new ATOM 0 HB3 ALA A 70 7.591 0.059 2.668 1.00 1.00 H new ATOM 1097 N SER A 71 8.647 2.959 0.772 1.00 1.00 N ATOM 1098 CA SER A 71 8.087 3.679 -0.381 1.00 1.00 C ATOM 1099 C SER A 71 8.321 2.846 -1.633 1.00 1.00 C ATOM 1100 O SER A 71 9.402 2.284 -1.813 1.00 1.00 O ATOM 1101 CB SER A 71 8.764 5.043 -0.538 1.00 1.00 C ATOM 1102 OG SER A 71 8.390 5.608 -1.788 1.00 1.00 O ATOM 0 H SER A 71 9.628 2.706 0.658 1.00 1.00 H new ATOM 0 HA SER A 71 7.020 3.839 -0.227 1.00 1.00 H new ATOM 0 HB2 SER A 71 8.470 5.705 0.277 1.00 1.00 H new ATOM 0 HB3 SER A 71 9.847 4.933 -0.484 1.00 1.00 H new ATOM 0 HG SER A 71 7.550 6.103 -1.685 1.00 1.00 H new ATOM 1108 N ILE A 72 7.288 2.754 -2.487 1.00 1.00 N ATOM 1109 CA ILE A 72 7.352 1.959 -3.740 1.00 1.00 C ATOM 1110 C ILE A 72 6.905 2.817 -4.927 1.00 1.00 C ATOM 1111 O ILE A 72 6.064 3.696 -4.781 1.00 1.00 O ATOM 1112 CB ILE A 72 6.439 0.665 -3.653 1.00 1.00 C ATOM 1113 CG1 ILE A 72 5.579 0.657 -2.348 1.00 1.00 C ATOM 1114 CG2 ILE A 72 7.298 -0.607 -3.731 1.00 1.00 C ATOM 1115 CD1 ILE A 72 6.417 0.545 -1.052 1.00 1.00 C ATOM 0 H ILE A 72 6.393 3.219 -2.338 1.00 1.00 H new ATOM 0 HA ILE A 72 8.385 1.642 -3.880 1.00 1.00 H new ATOM 0 HB ILE A 72 5.758 0.685 -4.504 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.986 1.571 -2.309 1.00 1.00 H new ATOM 0 HG13 ILE A 72 4.878 -0.177 -2.390 1.00 1.00 H new ATOM 0 HG21 ILE A 72 6.655 -1.485 -3.670 1.00 1.00 H new ATOM 0 HG22 ILE A 72 7.842 -0.621 -4.675 1.00 1.00 H new ATOM 0 HG23 ILE A 72 8.007 -0.618 -2.903 1.00 1.00 H new ATOM 0 HD11 ILE A 72 5.753 0.546 -0.188 1.00 1.00 H new ATOM 0 HD12 ILE A 72 6.990 -0.382 -1.068 1.00 1.00 H new ATOM 0 HD13 ILE A 72 7.099 1.392 -0.986 1.00 1.00 H new ATOM 1127 N LYS A 73 7.465 2.544 -6.109 1.00 1.00 N ATOM 1128 CA LYS A 73 7.099 3.282 -7.314 1.00 1.00 C ATOM 1129 C LYS A 73 5.766 2.737 -7.820 1.00 1.00 C ATOM 1130 O LYS A 73 5.542 1.527 -7.829 1.00 1.00 O ATOM 1131 CB LYS A 73 8.192 3.075 -8.382 1.00 1.00 C ATOM 1132 CG LYS A 73 7.877 3.869 -9.665 1.00 1.00 C ATOM 1133 CD LYS A 73 9.004 3.659 -10.690 1.00 1.00 C ATOM 1134 CE LYS A 73 8.708 4.456 -11.963 1.00 1.00 C ATOM 1135 NZ LYS A 73 8.590 5.900 -11.621 1.00 1.00 N ATOM 0 H LYS A 73 8.170 1.821 -6.254 1.00 1.00 H new ATOM 0 HA LYS A 73 7.007 4.347 -7.102 1.00 1.00 H new ATOM 0 HB2 LYS A 73 9.157 3.390 -7.984 1.00 1.00 H new ATOM 0 HB3 LYS A 73 8.276 2.014 -8.619 1.00 1.00 H new ATOM 0 HG2 LYS A 73 6.925 3.541 -10.083 1.00 1.00 H new ATOM 0 HG3 LYS A 73 7.775 4.929 -9.433 1.00 1.00 H new ATOM 0 HD2 LYS A 73 9.957 3.976 -10.266 1.00 1.00 H new ATOM 0 HD3 LYS A 73 9.098 2.599 -10.928 1.00 1.00 H new ATOM 0 HE2 LYS A 73 9.504 4.307 -12.693 1.00 1.00 H new ATOM 0 HE3 LYS A 73 7.785 4.102 -12.421 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 8.576 6.464 -12.495 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 7.710 6.060 -11.091 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 9.402 6.186 -11.038 1.00 1.00 H new ATOM 1149 N LEU A 74 4.875 3.639 -8.209 1.00 1.00 N ATOM 1150 CA LEU A 74 3.551 3.255 -8.683 1.00 1.00 C ATOM 1151 C LEU A 74 3.653 2.493 -10.009 1.00 1.00 C ATOM 1152 O LEU A 74 4.531 2.761 -10.832 1.00 1.00 O ATOM 1153 CB LEU A 74 2.700 4.532 -8.875 1.00 1.00 C ATOM 1154 CG LEU A 74 2.151 5.091 -7.522 1.00 1.00 C ATOM 1155 CD1 LEU A 74 1.080 4.150 -6.887 1.00 1.00 C ATOM 1156 CD2 LEU A 74 3.310 5.327 -6.526 1.00 1.00 C ATOM 0 H LEU A 74 5.045 4.645 -8.206 1.00 1.00 H new ATOM 0 HA LEU A 74 3.082 2.600 -7.949 1.00 1.00 H new ATOM 0 HB2 LEU A 74 3.303 5.297 -9.363 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.865 4.312 -9.540 1.00 1.00 H new ATOM 0 HG LEU A 74 1.664 6.041 -7.740 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.728 4.580 -5.949 1.00 1.00 H new ATOM 0 HD12 LEU A 74 0.240 4.039 -7.573 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.523 3.173 -6.695 1.00 1.00 H new ATOM 0 HD21 LEU A 74 2.911 5.716 -5.589 1.00 1.00 H new ATOM 0 HD22 LEU A 74 3.825 4.385 -6.338 1.00 1.00 H new ATOM 0 HD23 LEU A 74 4.012 6.046 -6.948 1.00 1.00 H new ATOM 1168 N THR A 75 2.727 1.546 -10.206 1.00 1.00 N ATOM 1169 CA THR A 75 2.670 0.731 -11.425 1.00 1.00 C ATOM 1170 C THR A 75 1.213 0.519 -11.837 1.00 1.00 C ATOM 1171 O THR A 75 0.302 0.651 -11.021 1.00 1.00 O ATOM 1172 CB THR A 75 3.335 -0.628 -11.159 1.00 1.00 C ATOM 1173 OG1 THR A 75 2.508 -1.375 -10.276 1.00 1.00 O ATOM 1174 CG2 THR A 75 4.716 -0.419 -10.510 1.00 1.00 C ATOM 0 H THR A 75 1.999 1.324 -9.527 1.00 1.00 H new ATOM 0 HA THR A 75 3.197 1.244 -12.230 1.00 1.00 H new ATOM 0 HB THR A 75 3.463 -1.164 -12.100 1.00 1.00 H new ATOM 0 HG1 THR A 75 2.921 -2.246 -10.099 1.00 1.00 H new ATOM 0 HG21 THR A 75 5.181 -1.387 -10.324 1.00 1.00 H new ATOM 0 HG22 THR A 75 5.348 0.165 -11.179 1.00 1.00 H new ATOM 0 HG23 THR A 75 4.598 0.113 -9.566 1.00 1.00 H new ATOM 1182 N ALA A 76 1.008 0.155 -13.103 1.00 1.00 N ATOM 1183 CA ALA A 76 -0.341 -0.115 -13.619 1.00 1.00 C ATOM 1184 C ALA A 76 -0.760 -1.523 -13.201 1.00 1.00 C ATOM 1185 O ALA A 76 0.000 -2.477 -13.368 1.00 1.00 O ATOM 1186 CB ALA A 76 -0.347 -0.014 -15.146 1.00 1.00 C ATOM 0 H ALA A 76 1.753 0.040 -13.790 1.00 1.00 H new ATOM 0 HA ALA A 76 -1.038 0.618 -13.213 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -1.351 -0.216 -15.520 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -0.043 0.989 -15.446 1.00 1.00 H new ATOM 0 HB3 ALA A 76 0.348 -0.743 -15.562 1.00 1.00 H new ATOM 1192 N ILE A 77 -1.970 -1.639 -12.647 1.00 1.00 N ATOM 1193 CA ILE A 77 -2.522 -2.927 -12.173 1.00 1.00 C ATOM 1194 C ILE A 77 -3.730 -3.335 -13.015 1.00 1.00 C ATOM 1195 O ILE A 77 -3.797 -4.461 -13.507 1.00 1.00 O ATOM 1196 CB ILE A 77 -2.935 -2.782 -10.661 1.00 1.00 C ATOM 1197 CG1 ILE A 77 -3.380 -1.303 -10.354 1.00 1.00 C ATOM 1198 CG2 ILE A 77 -1.741 -3.159 -9.752 1.00 1.00 C ATOM 1199 CD1 ILE A 77 -4.282 -1.229 -9.111 1.00 1.00 C ATOM 0 H ILE A 77 -2.600 -0.848 -12.511 1.00 1.00 H new ATOM 0 HA ILE A 77 -1.763 -3.703 -12.272 1.00 1.00 H new ATOM 0 HB ILE A 77 -3.771 -3.453 -10.463 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -2.498 -0.681 -10.201 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -3.911 -0.896 -11.214 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -2.033 -3.057 -8.707 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -1.446 -4.190 -9.947 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -0.901 -2.496 -9.961 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -4.569 -0.193 -8.931 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -5.177 -1.830 -9.274 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -3.741 -1.612 -8.246 1.00 1.00 H new ATOM 1211 N ASP A 78 -4.696 -2.424 -13.140 1.00 1.00 N ATOM 1212 CA ASP A 78 -5.935 -2.693 -13.887 1.00 1.00 C ATOM 1213 C ASP A 78 -5.866 -2.094 -15.287 1.00 1.00 C ATOM 1214 O ASP A 78 -5.031 -1.237 -15.576 1.00 1.00 O ATOM 1215 CB ASP A 78 -7.140 -2.135 -13.101 1.00 1.00 C ATOM 1216 CG ASP A 78 -7.085 -0.617 -12.978 1.00 1.00 C ATOM 1217 OD1 ASP A 78 -6.207 -0.006 -13.565 1.00 1.00 O ATOM 1218 OD2 ASP A 78 -7.905 -0.071 -12.259 1.00 1.00 O ATOM 0 H ASP A 78 -4.648 -1.490 -12.734 1.00 1.00 H new ATOM 0 HA ASP A 78 -6.057 -3.770 -14.000 1.00 1.00 H new ATOM 0 HB2 ASP A 78 -8.065 -2.425 -13.600 1.00 1.00 H new ATOM 0 HB3 ASP A 78 -7.161 -2.579 -12.106 1.00 1.00 H new ATOM 1223 N LYS A 79 -6.750 -2.575 -16.148 1.00 1.00 N ATOM 1224 CA LYS A 79 -6.816 -2.134 -17.539 1.00 1.00 C ATOM 1225 C LYS A 79 -6.874 -0.604 -17.664 1.00 1.00 C ATOM 1226 O LYS A 79 -6.382 -0.037 -18.639 1.00 1.00 O ATOM 1227 CB LYS A 79 -8.059 -2.775 -18.191 1.00 1.00 C ATOM 1228 CG LYS A 79 -9.326 -2.402 -17.393 1.00 1.00 C ATOM 1229 CD LYS A 79 -10.548 -3.115 -17.989 1.00 1.00 C ATOM 1230 CE LYS A 79 -11.802 -2.761 -17.180 1.00 1.00 C ATOM 1231 NZ LYS A 79 -12.979 -3.467 -17.755 1.00 1.00 N ATOM 0 H LYS A 79 -7.443 -3.282 -15.905 1.00 1.00 H new ATOM 0 HA LYS A 79 -5.907 -2.451 -18.050 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -8.155 -2.434 -19.222 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -7.945 -3.859 -18.223 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -9.204 -2.684 -16.347 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -9.477 -1.323 -17.417 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -10.681 -2.820 -19.030 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -10.391 -4.194 -17.981 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -11.667 -3.046 -16.137 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -11.967 -1.684 -17.197 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -13.830 -3.227 -17.207 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -13.111 -3.174 -18.744 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -12.821 -4.494 -17.717 1.00 1.00 H new ATOM 1245 N LYS A 80 -7.493 0.055 -16.681 1.00 1.00 N ATOM 1246 CA LYS A 80 -7.637 1.515 -16.688 1.00 1.00 C ATOM 1247 C LYS A 80 -6.341 2.193 -16.212 1.00 1.00 C ATOM 1248 O LYS A 80 -6.322 3.393 -15.947 1.00 1.00 O ATOM 1249 CB LYS A 80 -8.827 1.907 -15.755 1.00 1.00 C ATOM 1250 CG LYS A 80 -9.456 3.252 -16.198 1.00 1.00 C ATOM 1251 CD LYS A 80 -10.432 3.793 -15.131 1.00 1.00 C ATOM 1252 CE LYS A 80 -11.613 2.828 -14.898 1.00 1.00 C ATOM 1253 NZ LYS A 80 -12.679 3.552 -14.147 1.00 1.00 N ATOM 0 H LYS A 80 -7.904 -0.401 -15.867 1.00 1.00 H new ATOM 0 HA LYS A 80 -7.837 1.853 -17.705 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -9.584 1.123 -15.775 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -8.477 1.986 -14.726 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -8.668 3.983 -16.377 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -9.984 3.116 -17.142 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -9.898 3.947 -14.194 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -10.812 4.765 -15.445 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -12.000 2.467 -15.851 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -11.282 1.954 -14.337 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -13.483 2.913 -13.982 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -12.301 3.876 -13.234 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -12.997 4.373 -14.701 1.00 1.00 H new ATOM 1267 N GLY A 81 -5.257 1.424 -16.117 1.00 1.00 N ATOM 1268 CA GLY A 81 -3.973 1.981 -15.682 1.00 1.00 C ATOM 1269 C GLY A 81 -4.100 2.737 -14.357 1.00 1.00 C ATOM 1270 O GLY A 81 -3.636 3.870 -14.236 1.00 1.00 O ATOM 0 H GLY A 81 -5.239 0.427 -16.332 1.00 1.00 H new ATOM 0 HA2 GLY A 81 -3.246 1.176 -15.573 1.00 1.00 H new ATOM 0 HA3 GLY A 81 -3.590 2.654 -16.449 1.00 1.00 H new ATOM 1274 N THR A 82 -4.737 2.108 -13.362 1.00 1.00 N ATOM 1275 CA THR A 82 -4.920 2.746 -12.051 1.00 1.00 C ATOM 1276 C THR A 82 -3.627 2.615 -11.225 1.00 1.00 C ATOM 1277 O THR A 82 -3.221 1.492 -10.943 1.00 1.00 O ATOM 1278 CB THR A 82 -6.058 2.057 -11.271 1.00 1.00 C ATOM 1279 OG1 THR A 82 -7.277 2.249 -11.973 1.00 1.00 O ATOM 1280 CG2 THR A 82 -6.199 2.668 -9.855 1.00 1.00 C ATOM 0 H THR A 82 -5.130 1.170 -13.436 1.00 1.00 H new ATOM 0 HA THR A 82 -5.166 3.795 -12.214 1.00 1.00 H new ATOM 0 HB THR A 82 -5.828 0.996 -11.178 1.00 1.00 H new ATOM 0 HG1 THR A 82 -7.834 1.447 -11.887 1.00 1.00 H new ATOM 0 HG21 THR A 82 -7.007 2.168 -9.322 1.00 1.00 H new ATOM 0 HG22 THR A 82 -5.266 2.536 -9.307 1.00 1.00 H new ATOM 0 HG23 THR A 82 -6.423 3.731 -9.938 1.00 1.00 H new ATOM 1288 N PRO A 83 -2.985 3.690 -10.795 1.00 1.00 N ATOM 1289 CA PRO A 83 -1.754 3.557 -9.954 1.00 1.00 C ATOM 1290 C PRO A 83 -2.021 2.775 -8.655 1.00 1.00 C ATOM 1291 O PRO A 83 -3.000 3.031 -7.956 1.00 1.00 O ATOM 1292 CB PRO A 83 -1.341 5.024 -9.634 1.00 1.00 C ATOM 1293 CG PRO A 83 -2.056 5.873 -10.648 1.00 1.00 C ATOM 1294 CD PRO A 83 -3.322 5.108 -11.052 1.00 1.00 C ATOM 0 HA PRO A 83 -0.975 2.999 -10.474 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -1.628 5.300 -8.619 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -0.261 5.152 -9.706 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -2.310 6.846 -10.228 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -1.422 6.056 -11.515 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -4.184 5.425 -10.465 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -3.571 5.275 -12.100 1.00 1.00 H new ATOM 1302 N GLY A 84 -1.121 1.841 -8.329 1.00 1.00 N ATOM 1303 CA GLY A 84 -1.242 1.043 -7.097 1.00 1.00 C ATOM 1304 C GLY A 84 -0.663 -0.347 -7.262 1.00 1.00 C ATOM 1305 O GLY A 84 -0.659 -0.896 -8.354 1.00 1.00 O ATOM 0 H GLY A 84 -0.303 1.617 -8.896 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -0.730 1.555 -6.282 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -2.292 0.967 -6.816 1.00 1.00 H new ATOM 1309 N ILE A 85 -0.206 -0.922 -6.148 1.00 1.00 N ATOM 1310 CA ILE A 85 0.339 -2.280 -6.154 1.00 1.00 C ATOM 1311 C ILE A 85 -0.821 -3.265 -6.331 1.00 1.00 C ATOM 1312 O ILE A 85 -1.979 -2.849 -6.373 1.00 1.00 O ATOM 1313 CB ILE A 85 1.121 -2.554 -4.839 1.00 1.00 C ATOM 1314 CG1 ILE A 85 0.343 -1.978 -3.623 1.00 1.00 C ATOM 1315 CG2 ILE A 85 2.522 -1.906 -4.911 1.00 1.00 C ATOM 1316 CD1 ILE A 85 0.944 -2.491 -2.306 1.00 1.00 C ATOM 0 H ILE A 85 -0.202 -0.470 -5.234 1.00 1.00 H new ATOM 0 HA ILE A 85 1.042 -2.402 -6.978 1.00 1.00 H new ATOM 0 HB ILE A 85 1.229 -3.632 -4.716 1.00 1.00 H new ATOM 0 HG12 ILE A 85 0.377 -0.889 -3.645 1.00 1.00 H new ATOM 0 HG13 ILE A 85 -0.707 -2.265 -3.687 1.00 1.00 H new ATOM 0 HG21 ILE A 85 3.062 -2.103 -3.985 1.00 1.00 H new ATOM 0 HG22 ILE A 85 3.075 -2.327 -5.751 1.00 1.00 H new ATOM 0 HG23 ILE A 85 2.418 -0.830 -5.048 1.00 1.00 H new ATOM 0 HD11 ILE A 85 0.386 -2.077 -1.466 1.00 1.00 H new ATOM 0 HD12 ILE A 85 0.886 -3.579 -2.279 1.00 1.00 H new ATOM 0 HD13 ILE A 85 1.987 -2.181 -2.237 1.00 1.00 H new ATOM 1328 N GLY A 86 -0.516 -4.570 -6.425 1.00 1.00 N ATOM 1329 CA GLY A 86 -1.540 -5.611 -6.617 1.00 1.00 C ATOM 1330 C GLY A 86 -1.828 -6.366 -5.327 1.00 1.00 C ATOM 1331 O GLY A 86 -1.249 -7.420 -5.065 1.00 1.00 O ATOM 0 H GLY A 86 0.437 -4.931 -6.371 1.00 1.00 H new ATOM 0 HA2 GLY A 86 -2.459 -5.154 -6.983 1.00 1.00 H new ATOM 0 HA3 GLY A 86 -1.206 -6.312 -7.382 1.00 1.00 H new ATOM 1335 N ILE A 87 -2.750 -5.821 -4.538 1.00 1.00 N ATOM 1336 CA ILE A 87 -3.167 -6.436 -3.264 1.00 1.00 C ATOM 1337 C ILE A 87 -4.663 -6.221 -3.040 1.00 1.00 C ATOM 1338 O ILE A 87 -5.281 -5.388 -3.704 1.00 1.00 O ATOM 1339 CB ILE A 87 -2.365 -5.842 -2.074 1.00 1.00 C ATOM 1340 CG1 ILE A 87 -2.657 -4.320 -1.913 1.00 1.00 C ATOM 1341 CG2 ILE A 87 -0.850 -6.060 -2.313 1.00 1.00 C ATOM 1342 CD1 ILE A 87 -2.012 -3.784 -0.628 1.00 1.00 C ATOM 0 H ILE A 87 -3.231 -4.948 -4.754 1.00 1.00 H new ATOM 0 HA ILE A 87 -2.962 -7.505 -3.320 1.00 1.00 H new ATOM 0 HB ILE A 87 -2.672 -6.350 -1.160 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -2.271 -3.776 -2.775 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -3.733 -4.151 -1.885 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.286 -5.643 -1.478 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -0.644 -7.127 -2.393 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.552 -5.563 -3.236 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.225 -2.720 -0.530 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.418 -4.316 0.232 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -0.933 -3.935 -0.672 1.00 1.00 H new ATOM 1354 N THR A 88 -5.225 -6.952 -2.069 1.00 1.00 N ATOM 1355 CA THR A 88 -6.646 -6.831 -1.696 1.00 1.00 C ATOM 1356 C THR A 88 -6.753 -6.622 -0.182 1.00 1.00 C ATOM 1357 O THR A 88 -6.167 -7.369 0.605 1.00 1.00 O ATOM 1358 CB THR A 88 -7.420 -8.089 -2.125 1.00 1.00 C ATOM 1359 OG1 THR A 88 -7.348 -8.210 -3.538 1.00 1.00 O ATOM 1360 CG2 THR A 88 -8.903 -7.998 -1.698 1.00 1.00 C ATOM 0 H THR A 88 -4.713 -7.642 -1.520 1.00 1.00 H new ATOM 0 HA THR A 88 -7.085 -5.974 -2.208 1.00 1.00 H new ATOM 0 HB THR A 88 -6.975 -8.959 -1.642 1.00 1.00 H new ATOM 0 HG1 THR A 88 -7.837 -9.010 -3.823 1.00 1.00 H new ATOM 0 HG21 THR A 88 -9.428 -8.900 -2.013 1.00 1.00 H new ATOM 0 HG22 THR A 88 -8.964 -7.902 -0.614 1.00 1.00 H new ATOM 0 HG23 THR A 88 -9.364 -7.128 -2.166 1.00 1.00 H new ATOM 1368 N LEU A 89 -7.501 -5.588 0.209 1.00 1.00 N ATOM 1369 CA LEU A 89 -7.719 -5.215 1.612 1.00 1.00 C ATOM 1370 C LEU A 89 -9.056 -5.779 2.098 1.00 1.00 C ATOM 1371 O LEU A 89 -9.896 -6.184 1.294 1.00 1.00 O ATOM 1372 CB LEU A 89 -7.706 -3.673 1.720 1.00 1.00 C ATOM 1373 CG LEU A 89 -6.323 -3.084 1.244 1.00 1.00 C ATOM 1374 CD1 LEU A 89 -6.498 -1.634 0.752 1.00 1.00 C ATOM 1375 CD2 LEU A 89 -5.282 -3.090 2.393 1.00 1.00 C ATOM 0 H LEU A 89 -7.981 -4.975 -0.450 1.00 1.00 H new ATOM 0 HA LEU A 89 -6.929 -5.628 2.239 1.00 1.00 H new ATOM 0 HB2 LEU A 89 -8.511 -3.256 1.114 1.00 1.00 H new ATOM 0 HB3 LEU A 89 -7.896 -3.376 2.751 1.00 1.00 H new ATOM 0 HG LEU A 89 -5.965 -3.716 0.432 1.00 1.00 H new ATOM 0 HD11 LEU A 89 -5.535 -1.241 0.427 1.00 1.00 H new ATOM 0 HD12 LEU A 89 -7.198 -1.615 -0.083 1.00 1.00 H new ATOM 0 HD13 LEU A 89 -6.885 -1.019 1.564 1.00 1.00 H new ATOM 0 HD21 LEU A 89 -4.340 -2.678 2.032 1.00 1.00 H new ATOM 0 HD22 LEU A 89 -5.650 -2.484 3.221 1.00 1.00 H new ATOM 0 HD23 LEU A 89 -5.123 -4.113 2.735 1.00 1.00 H new ATOM 1387 N VAL A 90 -9.229 -5.823 3.425 1.00 1.00 N ATOM 1388 CA VAL A 90 -10.453 -6.365 4.055 1.00 1.00 C ATOM 1389 C VAL A 90 -11.339 -5.217 4.535 1.00 1.00 C ATOM 1390 O VAL A 90 -10.851 -4.204 5.037 1.00 1.00 O ATOM 1391 CB VAL A 90 -10.080 -7.253 5.267 1.00 1.00 C ATOM 1392 CG1 VAL A 90 -11.335 -7.960 5.820 1.00 1.00 C ATOM 1393 CG2 VAL A 90 -9.047 -8.306 4.832 1.00 1.00 C ATOM 0 H VAL A 90 -8.534 -5.488 4.093 1.00 1.00 H new ATOM 0 HA VAL A 90 -10.989 -6.963 3.318 1.00 1.00 H new ATOM 0 HB VAL A 90 -9.657 -6.623 6.049 1.00 1.00 H new ATOM 0 HG11 VAL A 90 -11.057 -8.581 6.672 1.00 1.00 H new ATOM 0 HG12 VAL A 90 -12.063 -7.213 6.137 1.00 1.00 H new ATOM 0 HG13 VAL A 90 -11.772 -8.586 5.042 1.00 1.00 H new ATOM 0 HG21 VAL A 90 -8.784 -8.932 5.685 1.00 1.00 H new ATOM 0 HG22 VAL A 90 -9.471 -8.927 4.043 1.00 1.00 H new ATOM 0 HG23 VAL A 90 -8.153 -7.806 4.459 1.00 1.00 H new