USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 472 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 1 LYS N :NH3+ -119:sc= -0.994 (180deg=-3!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.469 USER MOD Single : A 20 GLN : amide:sc= -0.041 X(o=-0.041,f=-0.45) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -141:sc= -2.42! (180deg=-5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -4.39! C(o=-4.4!,f=-8.1!) USER MOD Single : A 40 HIS : no HD1:sc= -0.0699 X(o=-0.07,f=0) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 50 ASN : amide:sc= -0.0441 K(o=-0.044,f=-0.99) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 1 3.745 -8.603 -6.696 1.00 0.00 N ATOM 21 CA LYS A 1 2.651 -8.803 -5.753 1.00 0.00 C ATOM 22 C LYS A 1 1.821 -7.532 -5.603 1.00 0.00 C ATOM 23 O LYS A 1 2.325 -6.498 -5.167 1.00 0.00 O ATOM 24 CB LYS A 1 3.198 -9.234 -4.391 1.00 0.00 C ATOM 25 CG LYS A 1 3.290 -10.742 -4.222 1.00 0.00 C ATOM 26 CD LYS A 1 4.388 -11.333 -5.091 1.00 0.00 C ATOM 27 CE LYS A 1 5.741 -11.265 -4.403 1.00 0.00 C ATOM 28 NZ LYS A 1 6.843 -10.995 -5.367 1.00 0.00 N ATOM 0 H1 LYS A 1 3.639 -9.260 -7.495 1.00 0.00 H new ATOM 0 H2 LYS A 1 3.726 -7.624 -7.047 1.00 0.00 H new ATOM 0 H3 LYS A 1 4.652 -8.782 -6.219 1.00 0.00 H new ATOM 0 HA LYS A 1 2.006 -9.590 -6.144 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.188 -8.800 -4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 1 2.559 -8.827 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 1 3.484 -10.981 -3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 1 2.334 -11.197 -4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 1 4.149 -12.371 -5.325 1.00 0.00 H new ATOM 0 HD3 LYS A 1 4.433 -10.795 -6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 1 5.723 -10.483 -3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 1 5.933 -12.206 -3.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 7.749 -10.956 -4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 6.877 -11.754 -6.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 6.674 -10.085 -5.842 1.00 0.00 H new ATOM 42 N ALA A 2 0.546 -7.619 -5.965 1.00 0.00 N ATOM 43 CA ALA A 2 -0.355 -6.477 -5.869 1.00 0.00 C ATOM 44 C ALA A 2 -1.308 -6.631 -4.689 1.00 0.00 C ATOM 45 O ALA A 2 -1.629 -7.747 -4.280 1.00 0.00 O ATOM 46 CB ALA A 2 -1.137 -6.312 -7.163 1.00 0.00 C ATOM 0 H ALA A 2 0.113 -8.468 -6.328 1.00 0.00 H new ATOM 0 HA ALA A 2 0.246 -5.583 -5.705 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.806 -5.456 -7.077 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.444 -6.150 -7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.722 -7.212 -7.352 1.00 0.00 H new ATOM 52 N ALA A 3 -1.757 -5.505 -4.145 1.00 0.00 N ATOM 53 CA ALA A 3 -2.673 -5.519 -3.011 1.00 0.00 C ATOM 54 C ALA A 3 -3.743 -4.443 -3.154 1.00 0.00 C ATOM 55 O ALA A 3 -3.462 -3.326 -3.589 1.00 0.00 O ATOM 56 CB ALA A 3 -1.906 -5.331 -1.711 1.00 0.00 C ATOM 0 H ALA A 3 -1.502 -4.573 -4.471 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.171 -6.489 -2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.602 -5.343 -0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.184 -6.139 -1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.382 -4.376 -1.733 1.00 0.00 H new ATOM 62 N ARG A 4 -4.972 -4.786 -2.781 1.00 0.00 N ATOM 63 CA ARG A 4 -6.085 -3.849 -2.863 1.00 0.00 C ATOM 64 C ARG A 4 -6.394 -3.260 -1.492 1.00 0.00 C ATOM 65 O ARG A 4 -6.473 -3.983 -0.498 1.00 0.00 O ATOM 66 CB ARG A 4 -7.327 -4.545 -3.424 1.00 0.00 C ATOM 67 CG ARG A 4 -8.463 -3.590 -3.753 1.00 0.00 C ATOM 68 CD ARG A 4 -9.813 -4.283 -3.678 1.00 0.00 C ATOM 69 NE ARG A 4 -10.238 -4.797 -4.978 1.00 0.00 N ATOM 70 CZ ARG A 4 -11.178 -5.725 -5.137 1.00 0.00 C ATOM 71 NH1 ARG A 4 -11.794 -6.244 -4.082 1.00 0.00 N ATOM 72 NH2 ARG A 4 -11.504 -6.136 -6.355 1.00 0.00 N ATOM 0 H ARG A 4 -5.222 -5.706 -2.419 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.800 -3.039 -3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.051 -5.092 -4.325 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.679 -5.280 -2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.445 -2.749 -3.059 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.318 -3.181 -4.753 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -9.760 -5.104 -2.963 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.560 -3.583 -3.303 1.00 0.00 H new ATOM 0 HE ARG A 4 -9.787 -4.422 -5.813 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.548 -5.932 -3.143 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -12.514 -6.955 -4.210 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -11.034 -5.741 -7.169 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -12.225 -6.847 -6.477 1.00 0.00 H new ATOM 86 N LEU A 5 -6.563 -1.943 -1.442 1.00 0.00 N ATOM 87 CA LEU A 5 -6.858 -1.260 -0.189 1.00 0.00 C ATOM 88 C LEU A 5 -8.275 -1.565 0.285 1.00 0.00 C ATOM 89 O LEU A 5 -9.122 -2.005 -0.493 1.00 0.00 O ATOM 90 CB LEU A 5 -6.678 0.251 -0.348 1.00 0.00 C ATOM 91 CG LEU A 5 -5.988 0.945 0.828 1.00 0.00 C ATOM 92 CD1 LEU A 5 -4.507 0.599 0.859 1.00 0.00 C ATOM 93 CD2 LEU A 5 -6.187 2.453 0.750 1.00 0.00 C ATOM 0 H LEU A 5 -6.501 -1.328 -2.254 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.158 -1.627 0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.100 0.440 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.658 0.705 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.441 0.588 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.033 1.102 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.387 -0.479 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.037 0.926 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.689 2.930 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.762 2.828 -0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.252 2.681 0.780 1.00 0.00 H new ATOM 105 N LYS A 6 -8.522 -1.323 1.567 1.00 0.00 N ATOM 106 CA LYS A 6 -9.833 -1.564 2.155 1.00 0.00 C ATOM 107 C LYS A 6 -10.096 -0.586 3.297 1.00 0.00 C ATOM 108 O LYS A 6 -10.738 -0.932 4.289 1.00 0.00 O ATOM 109 CB LYS A 6 -9.927 -3.006 2.664 1.00 0.00 C ATOM 110 CG LYS A 6 -11.008 -3.825 1.975 1.00 0.00 C ATOM 111 CD LYS A 6 -11.930 -4.496 2.980 1.00 0.00 C ATOM 112 CE LYS A 6 -13.094 -5.189 2.292 1.00 0.00 C ATOM 113 NZ LYS A 6 -13.776 -6.159 3.193 1.00 0.00 N ATOM 0 H LYS A 6 -7.829 -0.959 2.221 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.590 -1.411 1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.964 -3.497 2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.121 -2.992 3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.592 -3.179 1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.544 -4.583 1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.366 -5.223 3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.310 -3.752 3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.812 -4.442 1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.733 -5.710 1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.564 -6.610 2.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.098 -6.887 3.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.143 -5.659 4.028 1.00 0.00 H new ATOM 127 N PHE A 7 -9.584 0.635 3.156 1.00 0.00 N ATOM 128 CA PHE A 7 -9.756 1.655 4.184 1.00 0.00 C ATOM 129 C PHE A 7 -9.543 3.057 3.619 1.00 0.00 C ATOM 130 O PHE A 7 -8.694 3.267 2.754 1.00 0.00 O ATOM 131 CB PHE A 7 -8.760 1.410 5.316 1.00 0.00 C ATOM 132 CG PHE A 7 -7.344 1.319 4.829 1.00 0.00 C ATOM 133 CD1 PHE A 7 -6.670 2.454 4.410 1.00 0.00 C ATOM 134 CD2 PHE A 7 -6.690 0.099 4.776 1.00 0.00 C ATOM 135 CE1 PHE A 7 -5.371 2.376 3.950 1.00 0.00 C ATOM 136 CE2 PHE A 7 -5.390 0.014 4.315 1.00 0.00 C ATOM 137 CZ PHE A 7 -4.729 1.154 3.902 1.00 0.00 C ATOM 0 H PHE A 7 -9.049 0.940 2.343 1.00 0.00 H new ATOM 0 HA PHE A 7 -10.777 1.589 4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -8.838 2.217 6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -9.023 0.487 5.833 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -7.167 3.412 4.444 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.202 -0.796 5.099 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.857 3.270 3.628 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.891 -0.943 4.278 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.713 1.090 3.542 1.00 0.00 H new ATOM 147 N ASP A 8 -10.311 4.016 4.127 1.00 0.00 N ATOM 148 CA ASP A 8 -10.198 5.403 3.690 1.00 0.00 C ATOM 149 C ASP A 8 -9.311 6.187 4.653 1.00 0.00 C ATOM 150 O ASP A 8 -9.798 6.997 5.442 1.00 0.00 O ATOM 151 CB ASP A 8 -11.582 6.056 3.609 1.00 0.00 C ATOM 152 CG ASP A 8 -12.599 5.197 2.882 1.00 0.00 C ATOM 153 OD1 ASP A 8 -12.281 4.031 2.568 1.00 0.00 O ATOM 154 OD2 ASP A 8 -13.717 5.692 2.626 1.00 0.00 O ATOM 0 H ASP A 8 -11.020 3.857 4.843 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.747 5.415 2.698 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.941 6.260 4.618 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.496 7.016 3.101 1.00 0.00 H new ATOM 159 N PHE A 9 -8.007 5.933 4.593 1.00 0.00 N ATOM 160 CA PHE A 9 -7.056 6.608 5.471 1.00 0.00 C ATOM 161 C PHE A 9 -6.173 7.579 4.695 1.00 0.00 C ATOM 162 O PHE A 9 -5.807 7.323 3.548 1.00 0.00 O ATOM 163 CB PHE A 9 -6.185 5.579 6.196 1.00 0.00 C ATOM 164 CG PHE A 9 -6.676 5.241 7.575 1.00 0.00 C ATOM 165 CD1 PHE A 9 -7.981 4.819 7.775 1.00 0.00 C ATOM 166 CD2 PHE A 9 -5.833 5.345 8.669 1.00 0.00 C ATOM 167 CE1 PHE A 9 -8.435 4.507 9.043 1.00 0.00 C ATOM 168 CE2 PHE A 9 -6.282 5.034 9.939 1.00 0.00 C ATOM 169 CZ PHE A 9 -7.585 4.615 10.126 1.00 0.00 C ATOM 0 H PHE A 9 -7.585 5.266 3.947 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.627 7.180 6.203 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.143 4.667 5.601 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.167 5.962 6.265 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.650 4.733 6.932 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.814 5.673 8.528 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.454 4.179 9.187 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.615 5.119 10.784 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.938 4.372 11.117 1.00 0.00 H new ATOM 179 N GLN A 10 -5.831 8.694 5.334 1.00 0.00 N ATOM 180 CA GLN A 10 -4.986 9.706 4.712 1.00 0.00 C ATOM 181 C GLN A 10 -3.642 9.802 5.428 1.00 0.00 C ATOM 182 O GLN A 10 -3.572 9.706 6.653 1.00 0.00 O ATOM 183 CB GLN A 10 -5.686 11.066 4.729 1.00 0.00 C ATOM 184 CG GLN A 10 -5.972 11.587 6.129 1.00 0.00 C ATOM 185 CD GLN A 10 -5.662 13.064 6.277 1.00 0.00 C ATOM 186 OE1 GLN A 10 -4.742 13.448 6.999 1.00 0.00 O ATOM 187 NE2 GLN A 10 -6.431 13.902 5.591 1.00 0.00 N ATOM 0 H GLN A 10 -6.127 8.919 6.284 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.808 9.412 3.678 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.067 11.791 4.200 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.625 10.989 4.180 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.021 11.414 6.370 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.382 11.022 6.850 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.183 13.540 5.004 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.270 14.907 5.651 1.00 0.00 H new ATOM 196 N ALA A 11 -2.577 9.991 4.655 1.00 0.00 N ATOM 197 CA ALA A 11 -1.236 10.099 5.216 1.00 0.00 C ATOM 198 C ALA A 11 -1.002 11.479 5.821 1.00 0.00 C ATOM 199 O ALA A 11 -1.329 12.498 5.213 1.00 0.00 O ATOM 200 CB ALA A 11 -0.193 9.807 4.147 1.00 0.00 C ATOM 0 H ALA A 11 -2.617 10.072 3.639 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.142 9.361 6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.804 9.891 4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.338 8.797 3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.297 10.523 3.332 1.00 0.00 H new ATOM 206 N GLN A 12 -0.434 11.504 7.023 1.00 0.00 N ATOM 207 CA GLN A 12 -0.157 12.756 7.711 1.00 0.00 C ATOM 208 C GLN A 12 1.290 13.188 7.493 1.00 0.00 C ATOM 209 O GLN A 12 1.578 14.375 7.343 1.00 0.00 O ATOM 210 CB GLN A 12 -0.439 12.615 9.208 1.00 0.00 C ATOM 211 CG GLN A 12 -0.018 11.276 9.794 1.00 0.00 C ATOM 212 CD GLN A 12 0.471 11.394 11.224 1.00 0.00 C ATOM 213 OE1 GLN A 12 1.451 10.757 11.612 1.00 0.00 O ATOM 214 NE2 GLN A 12 -0.212 12.210 12.019 1.00 0.00 N ATOM 0 H GLN A 12 -0.157 10.669 7.539 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.813 13.521 7.296 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.079 13.412 9.741 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.506 12.756 9.381 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.861 10.586 9.758 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.772 10.846 9.178 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.018 12.719 11.656 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.070 12.328 12.992 1.00 0.00 H new ATOM 223 N SER A 13 2.197 12.216 7.477 1.00 0.00 N ATOM 224 CA SER A 13 3.614 12.498 7.277 1.00 0.00 C ATOM 225 C SER A 13 3.954 12.551 5.788 1.00 0.00 C ATOM 226 O SER A 13 3.410 11.784 4.994 1.00 0.00 O ATOM 227 CB SER A 13 4.470 11.436 7.970 1.00 0.00 C ATOM 228 OG SER A 13 5.807 11.474 7.503 1.00 0.00 O ATOM 0 H SER A 13 1.976 11.228 7.600 1.00 0.00 H new ATOM 0 HA SER A 13 3.830 13.472 7.716 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.453 11.598 9.048 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.046 10.448 7.789 1.00 0.00 H new ATOM 0 HG SER A 13 6.334 10.787 7.962 1.00 0.00 H new ATOM 234 N PRO A 14 4.861 13.460 5.388 1.00 0.00 N ATOM 235 CA PRO A 14 5.267 13.605 3.986 1.00 0.00 C ATOM 236 C PRO A 14 5.780 12.297 3.393 1.00 0.00 C ATOM 237 O PRO A 14 5.678 12.068 2.188 1.00 0.00 O ATOM 238 CB PRO A 14 6.393 14.640 4.039 1.00 0.00 C ATOM 239 CG PRO A 14 6.156 15.399 5.299 1.00 0.00 C ATOM 240 CD PRO A 14 5.560 14.417 6.266 1.00 0.00 C ATOM 0 HA PRO A 14 4.430 13.900 3.353 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.371 14.160 4.045 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.366 15.298 3.170 1.00 0.00 H new ATOM 0 HG2 PRO A 14 7.087 15.813 5.687 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.481 16.238 5.129 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.327 13.927 6.866 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.874 14.902 6.960 1.00 0.00 H new ATOM 248 N LYS A 15 6.333 11.443 4.248 1.00 0.00 N ATOM 249 CA LYS A 15 6.863 10.158 3.808 1.00 0.00 C ATOM 250 C LYS A 15 5.733 9.182 3.497 1.00 0.00 C ATOM 251 O LYS A 15 5.880 8.294 2.657 1.00 0.00 O ATOM 252 CB LYS A 15 7.783 9.567 4.878 1.00 0.00 C ATOM 253 CG LYS A 15 8.650 8.427 4.372 1.00 0.00 C ATOM 254 CD LYS A 15 9.833 8.942 3.569 1.00 0.00 C ATOM 255 CE LYS A 15 10.585 7.806 2.894 1.00 0.00 C ATOM 256 NZ LYS A 15 11.786 7.395 3.673 1.00 0.00 N ATOM 0 H LYS A 15 6.426 11.618 5.249 1.00 0.00 H new ATOM 0 HA LYS A 15 7.438 10.324 2.897 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.426 10.356 5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.176 9.209 5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.010 7.840 5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.051 7.760 3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.483 9.647 2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.510 9.488 4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.920 6.951 2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.889 8.116 1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.271 6.618 3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.433 8.204 3.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.494 7.075 4.619 1.00 0.00 H new ATOM 270 N GLU A 16 4.606 9.353 4.180 1.00 0.00 N ATOM 271 CA GLU A 16 3.451 8.490 3.977 1.00 0.00 C ATOM 272 C GLU A 16 2.626 8.957 2.782 1.00 0.00 C ATOM 273 O GLU A 16 2.776 10.086 2.315 1.00 0.00 O ATOM 274 CB GLU A 16 2.583 8.471 5.236 1.00 0.00 C ATOM 275 CG GLU A 16 3.039 7.457 6.272 1.00 0.00 C ATOM 276 CD GLU A 16 4.502 7.614 6.638 1.00 0.00 C ATOM 277 OE1 GLU A 16 5.353 7.008 5.954 1.00 0.00 O ATOM 278 OE2 GLU A 16 4.797 8.343 7.608 1.00 0.00 O ATOM 0 H GLU A 16 4.469 10.083 4.879 1.00 0.00 H new ATOM 0 HA GLU A 16 3.810 7.481 3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.587 9.464 5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.553 8.252 4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.430 7.562 7.170 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.870 6.451 5.889 1.00 0.00 H new ATOM 285 N LEU A 17 1.757 8.081 2.290 1.00 0.00 N ATOM 286 CA LEU A 17 0.910 8.404 1.146 1.00 0.00 C ATOM 287 C LEU A 17 -0.565 8.225 1.489 1.00 0.00 C ATOM 288 O LEU A 17 -0.950 7.243 2.123 1.00 0.00 O ATOM 289 CB LEU A 17 1.278 7.532 -0.055 1.00 0.00 C ATOM 290 CG LEU A 17 0.564 7.895 -1.359 1.00 0.00 C ATOM 291 CD1 LEU A 17 1.505 7.744 -2.545 1.00 0.00 C ATOM 292 CD2 LEU A 17 -0.675 7.033 -1.547 1.00 0.00 C ATOM 0 H LEU A 17 1.620 7.142 2.665 1.00 0.00 H new ATOM 0 HA LEU A 17 1.078 9.450 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.354 7.598 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.055 6.493 0.187 1.00 0.00 H new ATOM 0 HG LEU A 17 0.252 8.938 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.979 8.007 -3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.362 8.405 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.849 6.712 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.170 7.305 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.386 5.983 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.359 7.192 -0.713 1.00 0.00 H new ATOM 304 N THR A 18 -1.385 9.181 1.064 1.00 0.00 N ATOM 305 CA THR A 18 -2.818 9.128 1.326 1.00 0.00 C ATOM 306 C THR A 18 -3.526 8.295 0.264 1.00 0.00 C ATOM 307 O THR A 18 -3.434 8.581 -0.929 1.00 0.00 O ATOM 308 CB THR A 18 -3.403 10.544 1.356 1.00 0.00 C ATOM 309 OG1 THR A 18 -2.852 11.290 2.427 1.00 0.00 O ATOM 310 CG2 THR A 18 -4.910 10.572 1.505 1.00 0.00 C ATOM 0 H THR A 18 -1.082 10.000 0.538 1.00 0.00 H new ATOM 0 HA THR A 18 -2.973 8.659 2.298 1.00 0.00 H new ATOM 0 HB THR A 18 -3.144 10.982 0.392 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.236 12.192 2.429 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.255 11.606 1.519 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.368 10.048 0.667 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.193 10.083 2.437 1.00 0.00 H new ATOM 318 N LEU A 19 -4.227 7.258 0.709 1.00 0.00 N ATOM 319 CA LEU A 19 -4.944 6.376 -0.196 1.00 0.00 C ATOM 320 C LEU A 19 -6.291 5.972 0.396 1.00 0.00 C ATOM 321 O LEU A 19 -6.410 5.755 1.602 1.00 0.00 O ATOM 322 CB LEU A 19 -4.103 5.134 -0.486 1.00 0.00 C ATOM 323 CG LEU A 19 -4.640 4.241 -1.599 1.00 0.00 C ATOM 324 CD1 LEU A 19 -4.478 4.921 -2.950 1.00 0.00 C ATOM 325 CD2 LEU A 19 -3.936 2.892 -1.587 1.00 0.00 C ATOM 0 H LEU A 19 -4.312 7.010 1.695 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.127 6.910 -1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.093 5.450 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.025 4.544 0.427 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.703 4.072 -1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.866 4.270 -3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.030 5.861 -2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.422 5.119 -3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.332 2.268 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.866 3.039 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.105 2.402 -0.628 1.00 0.00 H new ATOM 337 N GLN A 20 -7.305 5.874 -0.459 1.00 0.00 N ATOM 338 CA GLN A 20 -8.642 5.498 -0.015 1.00 0.00 C ATOM 339 C GLN A 20 -9.071 4.167 -0.624 1.00 0.00 C ATOM 340 O GLN A 20 -8.462 3.681 -1.578 1.00 0.00 O ATOM 341 CB GLN A 20 -9.651 6.589 -0.376 1.00 0.00 C ATOM 342 CG GLN A 20 -10.659 6.870 0.726 1.00 0.00 C ATOM 343 CD GLN A 20 -11.925 7.525 0.208 1.00 0.00 C ATOM 344 OE1 GLN A 20 -12.478 7.112 -0.811 1.00 0.00 O ATOM 345 NE2 GLN A 20 -12.390 8.552 0.909 1.00 0.00 N ATOM 0 H GLN A 20 -7.226 6.049 -1.461 1.00 0.00 H new ATOM 0 HA GLN A 20 -8.614 5.384 1.069 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.113 7.508 -0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.185 6.295 -1.280 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.916 5.935 1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.201 7.516 1.476 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.899 8.861 1.748 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.238 9.032 0.609 1.00 0.00 H new ATOM 354 N LYS A 21 -10.124 3.582 -0.061 1.00 0.00 N ATOM 355 CA LYS A 21 -10.646 2.304 -0.534 1.00 0.00 C ATOM 356 C LYS A 21 -10.868 2.314 -2.045 1.00 0.00 C ATOM 357 O LYS A 21 -11.198 3.347 -2.628 1.00 0.00 O ATOM 358 CB LYS A 21 -11.961 1.980 0.181 1.00 0.00 C ATOM 359 CG LYS A 21 -11.847 0.832 1.168 1.00 0.00 C ATOM 360 CD LYS A 21 -12.752 -0.330 0.785 1.00 0.00 C ATOM 361 CE LYS A 21 -13.380 -0.977 2.009 1.00 0.00 C ATOM 362 NZ LYS A 21 -14.807 -0.586 2.174 1.00 0.00 N ATOM 0 H LYS A 21 -10.636 3.976 0.729 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.906 1.536 -0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.307 2.869 0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.719 1.735 -0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.813 0.490 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.108 1.183 2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.537 0.024 0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.176 -1.074 0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.308 -2.061 1.923 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.820 -0.690 2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.198 -1.048 3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.874 0.446 2.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.347 -0.883 1.336 1.00 0.00 H new ATOM 376 N GLY A 22 -10.694 1.153 -2.669 1.00 0.00 N ATOM 377 CA GLY A 22 -10.888 1.044 -4.103 1.00 0.00 C ATOM 378 C GLY A 22 -9.627 1.325 -4.902 1.00 0.00 C ATOM 379 O GLY A 22 -9.620 1.176 -6.123 1.00 0.00 O ATOM 0 H GLY A 22 -10.422 0.285 -2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.244 0.041 -4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.668 1.740 -4.411 1.00 0.00 H new ATOM 383 N ASP A 23 -8.560 1.736 -4.222 1.00 0.00 N ATOM 384 CA ASP A 23 -7.304 2.038 -4.899 1.00 0.00 C ATOM 385 C ASP A 23 -6.333 0.865 -4.817 1.00 0.00 C ATOM 386 O ASP A 23 -6.094 0.316 -3.741 1.00 0.00 O ATOM 387 CB ASP A 23 -6.665 3.289 -4.295 1.00 0.00 C ATOM 388 CG ASP A 23 -6.105 4.220 -5.352 1.00 0.00 C ATOM 389 OD1 ASP A 23 -5.377 3.735 -6.244 1.00 0.00 O ATOM 390 OD2 ASP A 23 -6.393 5.433 -5.288 1.00 0.00 O ATOM 0 H ASP A 23 -8.540 1.867 -3.211 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.527 2.220 -5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.408 3.822 -3.702 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.866 2.993 -3.615 1.00 0.00 H new ATOM 395 N ILE A 24 -5.769 0.494 -5.963 1.00 0.00 N ATOM 396 CA ILE A 24 -4.814 -0.606 -6.030 1.00 0.00 C ATOM 397 C ILE A 24 -3.435 -0.102 -6.447 1.00 0.00 C ATOM 398 O ILE A 24 -3.317 0.751 -7.326 1.00 0.00 O ATOM 399 CB ILE A 24 -5.281 -1.696 -7.017 1.00 0.00 C ATOM 400 CG1 ILE A 24 -4.318 -2.886 -6.996 1.00 0.00 C ATOM 401 CG2 ILE A 24 -5.398 -1.126 -8.423 1.00 0.00 C ATOM 402 CD1 ILE A 24 -5.017 -4.228 -7.011 1.00 0.00 C ATOM 0 H ILE A 24 -5.958 0.941 -6.860 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.752 -1.041 -5.032 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.265 -2.046 -6.705 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.654 -2.821 -7.858 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.692 -2.821 -6.106 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.728 -1.908 -9.106 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.122 -0.311 -8.426 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.427 -0.749 -8.745 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.274 -5.025 -6.995 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.660 -4.313 -6.135 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.621 -4.313 -7.914 1.00 0.00 H new ATOM 414 N VAL A 25 -2.394 -0.631 -5.811 1.00 0.00 N ATOM 415 CA VAL A 25 -1.028 -0.225 -6.122 1.00 0.00 C ATOM 416 C VAL A 25 -0.094 -1.428 -6.207 1.00 0.00 C ATOM 417 O VAL A 25 -0.288 -2.428 -5.516 1.00 0.00 O ATOM 418 CB VAL A 25 -0.480 0.756 -5.069 1.00 0.00 C ATOM 419 CG1 VAL A 25 -1.272 2.053 -5.085 1.00 0.00 C ATOM 420 CG2 VAL A 25 -0.506 0.124 -3.685 1.00 0.00 C ATOM 0 H VAL A 25 -2.470 -1.339 -5.080 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.064 0.271 -7.092 1.00 0.00 H new ATOM 0 HB VAL A 25 0.556 0.986 -5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.870 2.734 -4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.196 2.513 -6.070 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.318 1.843 -4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.115 0.832 -2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.531 -0.138 -3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.110 -0.775 -3.684 1.00 0.00 H new ATOM 430 N TYR A 26 0.924 -1.319 -7.056 1.00 0.00 N ATOM 431 CA TYR A 26 1.894 -2.394 -7.228 1.00 0.00 C ATOM 432 C TYR A 26 2.869 -2.425 -6.057 1.00 0.00 C ATOM 433 O TYR A 26 3.695 -1.525 -5.900 1.00 0.00 O ATOM 434 CB TYR A 26 2.659 -2.214 -8.539 1.00 0.00 C ATOM 435 CG TYR A 26 1.980 -2.853 -9.730 1.00 0.00 C ATOM 436 CD1 TYR A 26 1.501 -4.156 -9.664 1.00 0.00 C ATOM 437 CD2 TYR A 26 1.818 -2.154 -10.919 1.00 0.00 C ATOM 438 CE1 TYR A 26 0.881 -4.743 -10.750 1.00 0.00 C ATOM 439 CE2 TYR A 26 1.197 -2.734 -12.009 1.00 0.00 C ATOM 440 CZ TYR A 26 0.731 -4.029 -11.919 1.00 0.00 C ATOM 441 OH TYR A 26 0.113 -4.610 -13.003 1.00 0.00 O ATOM 0 H TYR A 26 1.098 -0.497 -7.635 1.00 0.00 H new ATOM 0 HA TYR A 26 1.355 -3.341 -7.260 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.786 -1.149 -8.732 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.657 -2.639 -8.429 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.615 -4.719 -8.749 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.183 -1.140 -10.993 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.515 -5.757 -10.683 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.077 -2.176 -12.926 1.00 0.00 H new ATOM 0 HH TYR A 26 0.087 -3.972 -13.746 1.00 0.00 H new ATOM 451 N ILE A 27 2.762 -3.459 -5.233 1.00 0.00 N ATOM 452 CA ILE A 27 3.627 -3.602 -4.070 1.00 0.00 C ATOM 453 C ILE A 27 4.981 -4.193 -4.447 1.00 0.00 C ATOM 454 O ILE A 27 5.057 -5.190 -5.165 1.00 0.00 O ATOM 455 CB ILE A 27 2.976 -4.491 -2.991 1.00 0.00 C ATOM 456 CG1 ILE A 27 1.488 -4.155 -2.840 1.00 0.00 C ATOM 457 CG2 ILE A 27 3.699 -4.327 -1.664 1.00 0.00 C ATOM 458 CD1 ILE A 27 1.202 -2.670 -2.755 1.00 0.00 C ATOM 0 H ILE A 27 2.084 -4.212 -5.349 1.00 0.00 H new ATOM 0 HA ILE A 27 3.775 -2.599 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 27 3.060 -5.532 -3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.943 -4.573 -3.687 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.105 -4.641 -1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.228 -4.961 -0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 27 4.743 -4.617 -1.780 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.645 -3.286 -1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.129 -2.512 -2.649 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.718 -2.249 -1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.554 -2.179 -3.663 1.00 0.00 H new ATOM 470 N HIS A 28 6.046 -3.575 -3.947 1.00 0.00 N ATOM 471 CA HIS A 28 7.400 -4.043 -4.220 1.00 0.00 C ATOM 472 C HIS A 28 7.874 -4.972 -3.108 1.00 0.00 C ATOM 473 O HIS A 28 8.527 -5.984 -3.362 1.00 0.00 O ATOM 474 CB HIS A 28 8.357 -2.858 -4.357 1.00 0.00 C ATOM 475 CG HIS A 28 9.479 -3.103 -5.318 1.00 0.00 C ATOM 476 ND1 HIS A 28 10.608 -3.824 -4.989 1.00 0.00 N ATOM 477 CD2 HIS A 28 9.643 -2.718 -6.606 1.00 0.00 C ATOM 478 CE1 HIS A 28 11.418 -3.871 -6.033 1.00 0.00 C ATOM 479 NE2 HIS A 28 10.855 -3.209 -7.026 1.00 0.00 N ATOM 0 H HIS A 28 5.998 -2.749 -3.351 1.00 0.00 H new ATOM 0 HA HIS A 28 7.391 -4.596 -5.160 1.00 0.00 H new ATOM 0 HB2 HIS A 28 7.795 -1.983 -4.683 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.773 -2.622 -3.378 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.950 -2.134 -7.193 1.00 0.00 H new ATOM 0 HE1 HIS A 28 12.377 -4.367 -6.067 1.00 0.00 H new ATOM 0 HE2 HIS A 28 11.255 -3.082 -7.956 1.00 0.00 H new ATOM 488 N LYS A 29 7.529 -4.620 -1.873 1.00 0.00 N ATOM 489 CA LYS A 29 7.904 -5.418 -0.712 1.00 0.00 C ATOM 490 C LYS A 29 6.821 -5.341 0.356 1.00 0.00 C ATOM 491 O LYS A 29 6.174 -4.308 0.524 1.00 0.00 O ATOM 492 CB LYS A 29 9.238 -4.941 -0.137 1.00 0.00 C ATOM 493 CG LYS A 29 9.196 -3.518 0.399 1.00 0.00 C ATOM 494 CD LYS A 29 9.268 -3.489 1.918 1.00 0.00 C ATOM 495 CE LYS A 29 9.028 -2.090 2.462 1.00 0.00 C ATOM 496 NZ LYS A 29 9.892 -1.795 3.638 1.00 0.00 N ATOM 0 H LYS A 29 6.988 -3.784 -1.651 1.00 0.00 H new ATOM 0 HA LYS A 29 8.013 -6.454 -1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.540 -5.614 0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.002 -5.006 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.027 -2.948 -0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.279 -3.031 0.068 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.527 -4.173 2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.246 -3.844 2.244 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.220 -1.358 1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.981 -1.986 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.349 -1.252 4.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.215 -2.687 4.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.716 -1.239 3.332 1.00 0.00 H new ATOM 510 N GLU A 30 6.627 -6.440 1.073 1.00 0.00 N ATOM 511 CA GLU A 30 5.617 -6.491 2.123 1.00 0.00 C ATOM 512 C GLU A 30 6.251 -6.671 3.492 1.00 0.00 C ATOM 513 O GLU A 30 6.792 -7.731 3.806 1.00 0.00 O ATOM 514 CB GLU A 30 4.622 -7.619 1.857 1.00 0.00 C ATOM 515 CG GLU A 30 4.160 -7.696 0.411 1.00 0.00 C ATOM 516 CD GLU A 30 3.179 -8.827 0.171 1.00 0.00 C ATOM 517 OE1 GLU A 30 3.413 -9.937 0.694 1.00 0.00 O ATOM 518 OE2 GLU A 30 2.176 -8.602 -0.539 1.00 0.00 O ATOM 0 H GLU A 30 7.153 -7.305 0.948 1.00 0.00 H new ATOM 0 HA GLU A 30 5.086 -5.539 2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.080 -8.569 2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.753 -7.484 2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.694 -6.751 0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.027 -7.828 -0.237 1.00 0.00 H new ATOM 525 N VAL A 31 6.167 -5.629 4.307 1.00 0.00 N ATOM 526 CA VAL A 31 6.717 -5.668 5.651 1.00 0.00 C ATOM 527 C VAL A 31 5.615 -5.932 6.661 1.00 0.00 C ATOM 528 O VAL A 31 4.960 -5.013 7.146 1.00 0.00 O ATOM 529 CB VAL A 31 7.421 -4.361 6.036 1.00 0.00 C ATOM 530 CG1 VAL A 31 8.512 -4.629 7.061 1.00 0.00 C ATOM 531 CG2 VAL A 31 7.992 -3.657 4.812 1.00 0.00 C ATOM 0 H VAL A 31 5.722 -4.745 4.059 1.00 0.00 H new ATOM 0 HA VAL A 31 7.453 -6.472 5.661 1.00 0.00 H new ATOM 0 HB VAL A 31 6.679 -3.698 6.482 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.002 -3.692 7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.071 -5.071 7.954 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.246 -5.317 6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.484 -2.734 5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.716 -4.308 4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.185 -3.424 4.117 1.00 0.00 H new ATOM 541 N ASP A 32 5.420 -7.195 6.960 1.00 0.00 N ATOM 542 CA ASP A 32 4.395 -7.618 7.906 1.00 0.00 C ATOM 543 C ASP A 32 4.672 -7.066 9.301 1.00 0.00 C ATOM 544 O ASP A 32 3.753 -6.885 10.101 1.00 0.00 O ATOM 545 CB ASP A 32 4.319 -9.145 7.956 1.00 0.00 C ATOM 546 CG ASP A 32 4.194 -9.763 6.577 1.00 0.00 C ATOM 547 OD1 ASP A 32 3.563 -9.134 5.701 1.00 0.00 O ATOM 548 OD2 ASP A 32 4.725 -10.874 6.373 1.00 0.00 O ATOM 0 H ASP A 32 5.961 -7.961 6.560 1.00 0.00 H new ATOM 0 HA ASP A 32 3.439 -7.222 7.565 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.211 -9.535 8.446 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.465 -9.444 8.564 1.00 0.00 H new ATOM 553 N LYS A 33 5.941 -6.797 9.588 1.00 0.00 N ATOM 554 CA LYS A 33 6.334 -6.264 10.887 1.00 0.00 C ATOM 555 C LYS A 33 5.942 -4.794 11.019 1.00 0.00 C ATOM 556 O LYS A 33 5.802 -4.278 12.128 1.00 0.00 O ATOM 557 CB LYS A 33 7.842 -6.422 11.090 1.00 0.00 C ATOM 558 CG LYS A 33 8.315 -6.029 12.481 1.00 0.00 C ATOM 559 CD LYS A 33 9.775 -5.605 12.475 1.00 0.00 C ATOM 560 CE LYS A 33 10.457 -5.933 13.793 1.00 0.00 C ATOM 561 NZ LYS A 33 11.863 -6.382 13.595 1.00 0.00 N ATOM 0 H LYS A 33 6.715 -6.939 8.939 1.00 0.00 H new ATOM 0 HA LYS A 33 5.808 -6.829 11.656 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.119 -7.459 10.901 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.365 -5.813 10.352 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.700 -5.212 12.858 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.182 -6.869 13.162 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.297 -6.106 11.660 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.843 -4.534 12.286 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.444 -5.054 14.437 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.896 -6.713 14.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.292 -6.596 14.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.874 -7.236 13.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.406 -5.628 13.127 1.00 0.00 H new ATOM 575 N ASN A 34 5.771 -4.121 9.884 1.00 0.00 N ATOM 576 CA ASN A 34 5.402 -2.712 9.881 1.00 0.00 C ATOM 577 C ASN A 34 4.740 -2.326 8.555 1.00 0.00 C ATOM 578 O ASN A 34 3.928 -3.077 8.017 1.00 0.00 O ATOM 579 CB ASN A 34 6.640 -1.851 10.162 1.00 0.00 C ATOM 580 CG ASN A 34 7.705 -1.989 9.090 1.00 0.00 C ATOM 581 OD1 ASN A 34 7.611 -1.386 8.021 1.00 0.00 O ATOM 582 ND2 ASN A 34 8.729 -2.786 9.374 1.00 0.00 N ATOM 0 H ASN A 34 5.882 -4.530 8.956 1.00 0.00 H new ATOM 0 HA ASN A 34 4.673 -2.533 10.671 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.341 -0.806 10.239 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.062 -2.133 11.126 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.477 -2.917 8.693 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.767 -3.267 10.273 1.00 0.00 H new ATOM 589 N TRP A 35 5.075 -1.151 8.042 1.00 0.00 N ATOM 590 CA TRP A 35 4.509 -0.662 6.795 1.00 0.00 C ATOM 591 C TRP A 35 5.155 -1.335 5.587 1.00 0.00 C ATOM 592 O TRP A 35 6.324 -1.714 5.628 1.00 0.00 O ATOM 593 CB TRP A 35 4.712 0.845 6.704 1.00 0.00 C ATOM 594 CG TRP A 35 4.113 1.601 7.851 1.00 0.00 C ATOM 595 CD1 TRP A 35 2.868 2.157 7.905 1.00 0.00 C ATOM 596 CD2 TRP A 35 4.736 1.888 9.109 1.00 0.00 C ATOM 597 NE1 TRP A 35 2.677 2.770 9.120 1.00 0.00 N ATOM 598 CE2 TRP A 35 3.810 2.619 9.876 1.00 0.00 C ATOM 599 CE3 TRP A 35 5.987 1.596 9.661 1.00 0.00 C ATOM 600 CZ2 TRP A 35 4.095 3.062 11.166 1.00 0.00 C ATOM 601 CZ3 TRP A 35 6.269 2.036 10.940 1.00 0.00 C ATOM 602 CH2 TRP A 35 5.327 2.762 11.680 1.00 0.00 C ATOM 0 H TRP A 35 5.743 -0.514 8.476 1.00 0.00 H new ATOM 0 HA TRP A 35 3.445 -0.900 6.788 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.780 1.057 6.658 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.275 1.207 5.773 1.00 0.00 H new ATOM 0 HD1 TRP A 35 2.139 2.121 7.109 1.00 0.00 H new ATOM 0 HE1 TRP A 35 1.830 3.258 9.412 1.00 0.00 H new ATOM 0 HE3 TRP A 35 6.719 1.037 9.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.370 3.621 11.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 7.232 1.816 11.377 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.578 3.092 12.677 1.00 0.00 H new ATOM 613 N LEU A 36 4.388 -1.464 4.507 1.00 0.00 N ATOM 614 CA LEU A 36 4.885 -2.077 3.278 1.00 0.00 C ATOM 615 C LEU A 36 5.211 -1.003 2.239 1.00 0.00 C ATOM 616 O LEU A 36 5.025 0.188 2.489 1.00 0.00 O ATOM 617 CB LEU A 36 3.848 -3.049 2.717 1.00 0.00 C ATOM 618 CG LEU A 36 2.593 -2.387 2.154 1.00 0.00 C ATOM 619 CD1 LEU A 36 2.082 -3.146 0.938 1.00 0.00 C ATOM 620 CD2 LEU A 36 1.514 -2.296 3.223 1.00 0.00 C ATOM 0 H LEU A 36 3.418 -1.152 4.458 1.00 0.00 H new ATOM 0 HA LEU A 36 5.797 -2.627 3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.314 -3.642 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.554 -3.741 3.506 1.00 0.00 H new ATOM 0 HG LEU A 36 2.851 -1.376 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.187 -2.657 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.851 -3.156 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.841 -4.170 1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.626 -1.822 2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.260 -3.298 3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.881 -1.704 4.061 1.00 0.00 H new ATOM 632 N GLU A 37 5.692 -1.429 1.074 1.00 0.00 N ATOM 633 CA GLU A 37 6.038 -0.494 0.005 1.00 0.00 C ATOM 634 C GLU A 37 4.996 -0.511 -1.109 1.00 0.00 C ATOM 635 O GLU A 37 4.454 -1.561 -1.452 1.00 0.00 O ATOM 636 CB GLU A 37 7.413 -0.829 -0.573 1.00 0.00 C ATOM 637 CG GLU A 37 7.939 0.220 -1.538 1.00 0.00 C ATOM 638 CD GLU A 37 9.410 0.032 -1.857 1.00 0.00 C ATOM 639 OE1 GLU A 37 10.108 -0.637 -1.067 1.00 0.00 O ATOM 640 OE2 GLU A 37 9.863 0.555 -2.897 1.00 0.00 O ATOM 0 H GLU A 37 5.851 -2.410 0.846 1.00 0.00 H new ATOM 0 HA GLU A 37 6.061 0.506 0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.123 -0.946 0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.358 -1.789 -1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.362 0.180 -2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.787 1.211 -1.110 1.00 0.00 H new ATOM 647 N GLY A 38 4.727 0.662 -1.674 1.00 0.00 N ATOM 648 CA GLY A 38 3.758 0.769 -2.750 1.00 0.00 C ATOM 649 C GLY A 38 3.978 2.007 -3.598 1.00 0.00 C ATOM 650 O GLY A 38 3.845 3.129 -3.114 1.00 0.00 O ATOM 0 H GLY A 38 5.164 1.543 -1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.819 -0.117 -3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.752 0.792 -2.330 1.00 0.00 H new ATOM 654 N GLU A 39 4.324 1.804 -4.865 1.00 0.00 N ATOM 655 CA GLU A 39 4.573 2.912 -5.776 1.00 0.00 C ATOM 656 C GLU A 39 3.606 2.880 -6.957 1.00 0.00 C ATOM 657 O GLU A 39 3.236 1.809 -7.439 1.00 0.00 O ATOM 658 CB GLU A 39 6.016 2.849 -6.276 1.00 0.00 C ATOM 659 CG GLU A 39 6.631 4.211 -6.533 1.00 0.00 C ATOM 660 CD GLU A 39 7.776 4.158 -7.525 1.00 0.00 C ATOM 661 OE1 GLU A 39 8.760 3.436 -7.259 1.00 0.00 O ATOM 662 OE2 GLU A 39 7.690 4.839 -8.569 1.00 0.00 O ATOM 0 H GLU A 39 4.438 0.881 -5.283 1.00 0.00 H new ATOM 0 HA GLU A 39 4.415 3.846 -5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.623 2.319 -5.542 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.047 2.266 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.862 4.887 -6.907 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.990 4.626 -5.591 1.00 0.00 H new ATOM 669 N HIS A 40 3.198 4.060 -7.416 1.00 0.00 N ATOM 670 CA HIS A 40 2.271 4.163 -8.539 1.00 0.00 C ATOM 671 C HIS A 40 2.494 5.453 -9.325 1.00 0.00 C ATOM 672 O HIS A 40 2.623 6.532 -8.747 1.00 0.00 O ATOM 673 CB HIS A 40 0.826 4.103 -8.040 1.00 0.00 C ATOM 674 CG HIS A 40 -0.175 3.879 -9.132 1.00 0.00 C ATOM 675 ND1 HIS A 40 -1.524 4.123 -8.980 1.00 0.00 N ATOM 676 CD2 HIS A 40 -0.016 3.430 -10.400 1.00 0.00 C ATOM 677 CE1 HIS A 40 -2.151 3.834 -10.106 1.00 0.00 C ATOM 678 NE2 HIS A 40 -1.259 3.412 -10.983 1.00 0.00 N ATOM 0 H HIS A 40 3.494 4.956 -7.029 1.00 0.00 H new ATOM 0 HA HIS A 40 2.458 3.320 -9.205 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.736 3.302 -7.306 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.589 5.034 -7.526 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.915 3.140 -10.865 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.213 3.927 -10.280 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.461 3.120 -11.939 1.00 0.00 H new ATOM 687 N HIS A 41 2.530 5.331 -10.650 1.00 0.00 N ATOM 688 CA HIS A 41 2.728 6.482 -11.527 1.00 0.00 C ATOM 689 C HIS A 41 3.969 7.279 -11.132 1.00 0.00 C ATOM 690 O HIS A 41 3.978 8.508 -11.203 1.00 0.00 O ATOM 691 CB HIS A 41 1.494 7.387 -11.495 1.00 0.00 C ATOM 692 CG HIS A 41 0.504 7.089 -12.578 1.00 0.00 C ATOM 693 ND1 HIS A 41 -0.099 8.070 -13.337 1.00 0.00 N ATOM 694 CD2 HIS A 41 0.012 5.911 -13.030 1.00 0.00 C ATOM 695 CE1 HIS A 41 -0.920 7.509 -14.207 1.00 0.00 C ATOM 696 NE2 HIS A 41 -0.870 6.201 -14.042 1.00 0.00 N ATOM 0 H HIS A 41 2.424 4.443 -11.141 1.00 0.00 H new ATOM 0 HA HIS A 41 2.876 6.108 -12.540 1.00 0.00 H new ATOM 0 HB2 HIS A 41 1.003 7.284 -10.527 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.813 8.426 -11.582 1.00 0.00 H new ATOM 0 HD2 HIS A 41 0.266 4.927 -12.663 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -1.528 8.032 -14.930 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -1.401 5.516 -14.579 1.00 0.00 H new ATOM 705 N GLY A 42 5.017 6.573 -10.722 1.00 0.00 N ATOM 706 CA GLY A 42 6.249 7.234 -10.329 1.00 0.00 C ATOM 707 C GLY A 42 6.218 7.762 -8.904 1.00 0.00 C ATOM 708 O GLY A 42 7.251 8.160 -8.366 1.00 0.00 O ATOM 0 H GLY A 42 5.036 5.555 -10.655 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.078 6.534 -10.432 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.444 8.061 -11.012 1.00 0.00 H new ATOM 712 N ARG A 43 5.038 7.766 -8.289 1.00 0.00 N ATOM 713 CA ARG A 43 4.896 8.249 -6.920 1.00 0.00 C ATOM 714 C ARG A 43 4.971 7.088 -5.935 1.00 0.00 C ATOM 715 O ARG A 43 4.260 6.094 -6.080 1.00 0.00 O ATOM 716 CB ARG A 43 3.570 8.996 -6.754 1.00 0.00 C ATOM 717 CG ARG A 43 3.720 10.364 -6.107 1.00 0.00 C ATOM 718 CD ARG A 43 3.820 10.259 -4.593 1.00 0.00 C ATOM 719 NE ARG A 43 5.163 10.575 -4.110 1.00 0.00 N ATOM 720 CZ ARG A 43 5.622 11.815 -3.952 1.00 0.00 C ATOM 721 NH1 ARG A 43 4.853 12.857 -4.238 1.00 0.00 N ATOM 722 NH2 ARG A 43 6.855 12.012 -3.506 1.00 0.00 N ATOM 0 H ARG A 43 4.170 7.441 -8.716 1.00 0.00 H new ATOM 0 HA ARG A 43 5.715 8.937 -6.711 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.104 9.115 -7.732 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.894 8.390 -6.151 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.610 10.856 -6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.867 10.989 -6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.101 10.937 -4.134 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.550 9.250 -4.281 1.00 0.00 H new ATOM 0 HE ARG A 43 5.785 9.800 -3.880 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.904 12.711 -4.581 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.211 13.804 -4.115 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.451 11.214 -3.284 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.208 12.961 -3.385 1.00 0.00 H new ATOM 736 N LEU A 44 5.837 7.216 -4.936 1.00 0.00 N ATOM 737 CA LEU A 44 6.001 6.167 -3.939 1.00 0.00 C ATOM 738 C LEU A 44 5.191 6.468 -2.683 1.00 0.00 C ATOM 739 O LEU A 44 5.289 7.551 -2.107 1.00 0.00 O ATOM 740 CB LEU A 44 7.485 5.982 -3.590 1.00 0.00 C ATOM 741 CG LEU A 44 8.061 6.980 -2.580 1.00 0.00 C ATOM 742 CD1 LEU A 44 9.428 6.519 -2.099 1.00 0.00 C ATOM 743 CD2 LEU A 44 8.152 8.369 -3.192 1.00 0.00 C ATOM 0 H LEU A 44 6.433 8.032 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 44 5.625 5.237 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.624 4.975 -3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.066 6.048 -4.510 1.00 0.00 H new ATOM 0 HG LEU A 44 7.390 7.027 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.823 7.239 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.336 5.544 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.106 6.443 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.563 9.063 -2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.801 8.339 -4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.157 8.702 -3.489 1.00 0.00 H new ATOM 755 N GLY A 45 4.395 5.492 -2.267 1.00 0.00 N ATOM 756 CA GLY A 45 3.576 5.647 -1.082 1.00 0.00 C ATOM 757 C GLY A 45 3.640 4.428 -0.189 1.00 0.00 C ATOM 758 O GLY A 45 3.623 3.296 -0.671 1.00 0.00 O ATOM 0 H GLY A 45 4.302 4.590 -2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.906 6.523 -0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.542 5.828 -1.376 1.00 0.00 H new ATOM 762 N ILE A 46 3.730 4.654 1.114 1.00 0.00 N ATOM 763 CA ILE A 46 3.814 3.559 2.066 1.00 0.00 C ATOM 764 C ILE A 46 2.597 3.524 2.986 1.00 0.00 C ATOM 765 O ILE A 46 2.021 4.562 3.318 1.00 0.00 O ATOM 766 CB ILE A 46 5.103 3.676 2.904 1.00 0.00 C ATOM 767 CG1 ILE A 46 6.324 3.613 1.984 1.00 0.00 C ATOM 768 CG2 ILE A 46 5.174 2.587 3.967 1.00 0.00 C ATOM 769 CD1 ILE A 46 7.638 3.723 2.721 1.00 0.00 C ATOM 0 H ILE A 46 3.747 5.583 1.534 1.00 0.00 H new ATOM 0 HA ILE A 46 3.836 2.628 1.499 1.00 0.00 H new ATOM 0 HB ILE A 46 5.093 4.636 3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.304 2.674 1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.259 4.417 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.094 2.698 4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.317 2.675 4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.161 1.609 3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.461 3.671 2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.678 4.674 3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.724 2.904 3.435 1.00 0.00 H new ATOM 781 N PHE A 47 2.216 2.316 3.394 1.00 0.00 N ATOM 782 CA PHE A 47 1.073 2.122 4.278 1.00 0.00 C ATOM 783 C PHE A 47 1.234 0.834 5.082 1.00 0.00 C ATOM 784 O PHE A 47 2.004 -0.048 4.703 1.00 0.00 O ATOM 785 CB PHE A 47 -0.230 2.080 3.474 1.00 0.00 C ATOM 786 CG PHE A 47 -0.124 1.311 2.186 1.00 0.00 C ATOM 787 CD1 PHE A 47 0.559 1.839 1.103 1.00 0.00 C ATOM 788 CD2 PHE A 47 -0.710 0.062 2.061 1.00 0.00 C ATOM 789 CE1 PHE A 47 0.657 1.135 -0.082 1.00 0.00 C ATOM 790 CE2 PHE A 47 -0.615 -0.647 0.878 1.00 0.00 C ATOM 791 CZ PHE A 47 0.069 -0.110 -0.195 1.00 0.00 C ATOM 0 H PHE A 47 2.687 1.452 3.124 1.00 0.00 H new ATOM 0 HA PHE A 47 1.029 2.964 4.968 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.011 1.634 4.089 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.542 3.101 3.252 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.020 2.812 1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.247 -0.362 2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.193 1.558 -0.919 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.075 -1.620 0.793 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.144 -0.662 -1.120 1.00 0.00 H new ATOM 801 N PRO A 48 0.517 0.709 6.212 1.00 0.00 N ATOM 802 CA PRO A 48 0.599 -0.479 7.068 1.00 0.00 C ATOM 803 C PRO A 48 0.088 -1.734 6.369 1.00 0.00 C ATOM 804 O PRO A 48 -0.978 -1.725 5.753 1.00 0.00 O ATOM 805 CB PRO A 48 -0.296 -0.135 8.266 1.00 0.00 C ATOM 806 CG PRO A 48 -0.505 1.341 8.200 1.00 0.00 C ATOM 807 CD PRO A 48 -0.417 1.709 6.747 1.00 0.00 C ATOM 0 HA PRO A 48 1.629 -0.702 7.344 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.245 -0.668 8.212 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.178 -0.422 9.205 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.475 1.616 8.614 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.251 1.868 8.782 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.389 1.657 6.257 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.045 2.724 6.609 1.00 0.00 H new ATOM 815 N ALA A 49 0.855 -2.815 6.474 1.00 0.00 N ATOM 816 CA ALA A 49 0.480 -4.082 5.859 1.00 0.00 C ATOM 817 C ALA A 49 -0.753 -4.674 6.532 1.00 0.00 C ATOM 818 O ALA A 49 -1.619 -5.247 5.872 1.00 0.00 O ATOM 819 CB ALA A 49 1.641 -5.063 5.923 1.00 0.00 C ATOM 0 H ALA A 49 1.740 -2.838 6.980 1.00 0.00 H new ATOM 0 HA ALA A 49 0.236 -3.893 4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.347 -6.005 5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.497 -4.649 5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.912 -5.239 6.964 1.00 0.00 H new ATOM 825 N ASN A 50 -0.822 -4.533 7.851 1.00 0.00 N ATOM 826 CA ASN A 50 -1.944 -5.055 8.623 1.00 0.00 C ATOM 827 C ASN A 50 -3.255 -4.396 8.205 1.00 0.00 C ATOM 828 O ASN A 50 -4.322 -5.003 8.294 1.00 0.00 O ATOM 829 CB ASN A 50 -1.705 -4.829 10.116 1.00 0.00 C ATOM 830 CG ASN A 50 -0.935 -5.967 10.759 1.00 0.00 C ATOM 831 OD1 ASN A 50 -0.329 -6.789 10.071 1.00 0.00 O ATOM 832 ND2 ASN A 50 -0.956 -6.020 12.085 1.00 0.00 N ATOM 0 H ASN A 50 -0.112 -4.060 8.410 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.020 -6.124 8.425 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.156 -3.898 10.256 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.664 -4.712 10.621 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.457 -6.763 12.574 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.471 -5.317 12.615 1.00 0.00 H new ATOM 839 N TYR A 51 -3.168 -3.149 7.758 1.00 0.00 N ATOM 840 CA TYR A 51 -4.348 -2.403 7.336 1.00 0.00 C ATOM 841 C TYR A 51 -4.781 -2.789 5.922 1.00 0.00 C ATOM 842 O TYR A 51 -5.908 -2.507 5.515 1.00 0.00 O ATOM 843 CB TYR A 51 -4.074 -0.900 7.405 1.00 0.00 C ATOM 844 CG TYR A 51 -4.499 -0.264 8.709 1.00 0.00 C ATOM 845 CD1 TYR A 51 -3.704 -0.360 9.843 1.00 0.00 C ATOM 846 CD2 TYR A 51 -5.697 0.433 8.805 1.00 0.00 C ATOM 847 CE1 TYR A 51 -4.090 0.220 11.037 1.00 0.00 C ATOM 848 CE2 TYR A 51 -6.090 1.017 9.994 1.00 0.00 C ATOM 849 CZ TYR A 51 -5.283 0.907 11.107 1.00 0.00 C ATOM 850 OH TYR A 51 -5.670 1.487 12.293 1.00 0.00 O ATOM 0 H TYR A 51 -2.292 -2.632 7.678 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.161 -2.655 8.017 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.008 -0.727 7.257 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.594 -0.407 6.584 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.768 -0.897 9.792 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.332 0.520 7.936 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.460 0.135 11.910 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.024 1.557 10.051 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.534 1.933 12.172 1.00 0.00 H new ATOM 860 N VAL A 52 -3.887 -3.429 5.173 1.00 0.00 N ATOM 861 CA VAL A 52 -4.194 -3.838 3.806 1.00 0.00 C ATOM 862 C VAL A 52 -4.109 -5.354 3.649 1.00 0.00 C ATOM 863 O VAL A 52 -3.469 -6.036 4.447 1.00 0.00 O ATOM 864 CB VAL A 52 -3.241 -3.169 2.795 1.00 0.00 C ATOM 865 CG1 VAL A 52 -1.798 -3.564 3.072 1.00 0.00 C ATOM 866 CG2 VAL A 52 -3.636 -3.523 1.368 1.00 0.00 C ATOM 0 H VAL A 52 -2.948 -3.675 5.488 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.215 -3.516 3.600 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.324 -2.088 2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.143 -3.081 2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.521 -3.249 4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.695 -4.646 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.951 -3.041 0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.588 -4.604 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.652 -3.178 1.176 1.00 0.00 H new ATOM 876 N GLU A 53 -4.761 -5.873 2.612 1.00 0.00 N ATOM 877 CA GLU A 53 -4.758 -7.308 2.350 1.00 0.00 C ATOM 878 C GLU A 53 -3.907 -7.633 1.129 1.00 0.00 C ATOM 879 O GLU A 53 -3.892 -6.883 0.152 1.00 0.00 O ATOM 880 CB GLU A 53 -6.187 -7.813 2.141 1.00 0.00 C ATOM 881 CG GLU A 53 -6.953 -7.047 1.074 1.00 0.00 C ATOM 882 CD GLU A 53 -7.938 -6.057 1.662 1.00 0.00 C ATOM 883 OE1 GLU A 53 -8.507 -6.350 2.734 1.00 0.00 O ATOM 884 OE2 GLU A 53 -8.141 -4.987 1.050 1.00 0.00 O ATOM 0 H GLU A 53 -5.297 -5.322 1.941 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.327 -7.811 3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.154 -8.867 1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.729 -7.746 3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.247 -6.516 0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.488 -7.753 0.439 1.00 0.00 H new ATOM 891 N VAL A 54 -3.197 -8.755 1.189 1.00 0.00 N ATOM 892 CA VAL A 54 -2.343 -9.176 0.086 1.00 0.00 C ATOM 893 C VAL A 54 -3.080 -10.128 -0.849 1.00 0.00 C ATOM 894 O VAL A 54 -3.436 -11.242 -0.463 1.00 0.00 O ATOM 895 CB VAL A 54 -1.065 -9.867 0.597 1.00 0.00 C ATOM 896 CG1 VAL A 54 -0.102 -10.129 -0.551 1.00 0.00 C ATOM 897 CG2 VAL A 54 -0.400 -9.028 1.678 1.00 0.00 C ATOM 0 H VAL A 54 -3.197 -9.388 1.989 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.067 -8.274 -0.461 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.344 -10.827 1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.795 -10.618 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.581 -10.774 -1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.172 -9.184 -1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.501 -9.532 2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.135 -8.052 1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.089 -8.897 2.513 1.00 0.00 H new ATOM 907 N LEU A 55 -3.304 -9.682 -2.080 1.00 0.00 N ATOM 908 CA LEU A 55 -3.997 -10.496 -3.073 1.00 0.00 C ATOM 909 C LEU A 55 -3.633 -10.056 -4.489 1.00 0.00 C ATOM 910 O LEU A 55 -4.426 -9.404 -5.169 1.00 0.00 O ATOM 911 CB LEU A 55 -5.511 -10.408 -2.870 1.00 0.00 C ATOM 912 CG LEU A 55 -6.081 -8.989 -2.845 1.00 0.00 C ATOM 913 CD1 LEU A 55 -7.511 -8.980 -3.363 1.00 0.00 C ATOM 914 CD2 LEU A 55 -6.019 -8.416 -1.437 1.00 0.00 C ATOM 0 H LEU A 55 -3.016 -8.762 -2.414 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.681 -11.531 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.002 -10.966 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.765 -10.902 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.475 -8.362 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.901 -7.962 -3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.529 -9.350 -4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.130 -9.621 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.428 -7.406 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.602 -9.044 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.982 -8.387 -1.101 1.00 0.00 H new ATOM 926 N PRO A 56 -2.422 -10.409 -4.954 1.00 0.00 N ATOM 927 CA PRO A 56 -1.955 -10.049 -6.297 1.00 0.00 C ATOM 928 C PRO A 56 -2.959 -10.424 -7.381 1.00 0.00 C ATOM 929 O PRO A 56 -3.415 -11.565 -7.451 1.00 0.00 O ATOM 930 CB PRO A 56 -0.669 -10.863 -6.455 1.00 0.00 C ATOM 931 CG PRO A 56 -0.184 -11.076 -5.063 1.00 0.00 C ATOM 932 CD PRO A 56 -1.415 -11.187 -4.208 1.00 0.00 C ATOM 0 HA PRO A 56 -1.811 -8.974 -6.403 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.860 -11.811 -6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 56 0.068 -10.327 -7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.421 -11.980 -4.995 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.444 -10.247 -4.737 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.723 -12.225 -4.080 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.250 -10.779 -3.211 1.00 0.00 H new ATOM 940 N LEU A 57 -3.298 -9.456 -8.227 1.00 0.00 N ATOM 941 CA LEU A 57 -4.248 -9.685 -9.309 1.00 0.00 C ATOM 942 C LEU A 57 -3.545 -9.663 -10.663 1.00 0.00 C ATOM 943 O LEU A 57 -3.953 -10.354 -11.596 1.00 0.00 O ATOM 944 CB LEU A 57 -5.354 -8.627 -9.279 1.00 0.00 C ATOM 945 CG LEU A 57 -6.270 -8.683 -8.053 1.00 0.00 C ATOM 946 CD1 LEU A 57 -6.010 -7.498 -7.135 1.00 0.00 C ATOM 947 CD2 LEU A 57 -7.731 -8.718 -8.477 1.00 0.00 C ATOM 0 H LEU A 57 -2.929 -8.506 -8.184 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.693 -10.670 -9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.893 -7.640 -9.325 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.965 -8.736 -10.175 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.049 -9.598 -7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.671 -7.556 -6.270 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.973 -7.517 -6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.200 -6.571 -7.675 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -8.366 -8.758 -7.592 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.965 -7.822 -9.051 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.910 -9.600 -9.092 1.00 0.00 H new