USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 150:sc= -1.78 (180deg=-4.05!) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.409 USER MOD Single : A 21 SER OG : rot -158:sc= -0.411 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.314 USER MOD Single : A 47 GLN : amide:sc= -0.0241 X(o=-0.024,f=-0.14) USER MOD Single : A 61 TYR OH : rot 85:sc= 0.69 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -110:sc= -4.03! (180deg=-9.21!) USER MOD Single : A 72 HIS : no HD1:sc= -4.75! C(o=-4.7!,f=-5.1!) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0162 USER MOD Single : A 74 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-4.4!) USER MOD Single : A 79 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.019) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 40:sc= 0.275 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 17:sc= 1.22 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.637 -17.566 2.254 1.00 0.00 N ATOM 2 CA GLY A 1 1.006 -16.355 2.966 1.00 0.00 C ATOM 3 C GLY A 1 2.399 -16.486 3.588 1.00 0.00 C ATOM 4 O GLY A 1 2.551 -17.066 4.662 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.311 -17.451 1.842 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.325 -17.746 1.495 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.632 -18.369 2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.988 -15.507 2.282 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.273 -16.150 3.747 1.00 0.00 H new ATOM 8 N SER A 2 3.380 -15.938 2.885 1.00 0.00 N ATOM 9 CA SER A 2 4.753 -15.988 3.354 1.00 0.00 C ATOM 10 C SER A 2 5.056 -14.760 4.216 1.00 0.00 C ATOM 11 O SER A 2 5.110 -13.640 3.711 1.00 0.00 O ATOM 12 CB SER A 2 5.734 -16.067 2.181 1.00 0.00 C ATOM 13 OG SER A 2 5.865 -17.396 1.685 1.00 0.00 O ATOM 0 H SER A 2 3.250 -15.458 1.995 1.00 0.00 H new ATOM 0 HA SER A 2 4.876 -16.888 3.957 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.394 -15.412 1.379 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.710 -15.701 2.499 1.00 0.00 H new ATOM 0 HG SER A 2 6.498 -17.405 0.937 1.00 0.00 H new ATOM 18 N SER A 3 5.246 -15.014 5.503 1.00 0.00 N ATOM 19 CA SER A 3 5.542 -13.944 6.440 1.00 0.00 C ATOM 20 C SER A 3 7.055 -13.825 6.639 1.00 0.00 C ATOM 21 O SER A 3 7.733 -14.823 6.879 1.00 0.00 O ATOM 22 CB SER A 3 4.847 -14.180 7.783 1.00 0.00 C ATOM 23 OG SER A 3 4.304 -12.977 8.321 1.00 0.00 O ATOM 0 H SER A 3 5.201 -15.945 5.918 1.00 0.00 H new ATOM 0 HA SER A 3 5.163 -13.011 6.024 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.050 -14.912 7.655 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.559 -14.605 8.490 1.00 0.00 H new ATOM 0 HG SER A 3 3.867 -13.169 9.177 1.00 0.00 H new ATOM 28 N GLY A 4 7.540 -12.597 6.532 1.00 0.00 N ATOM 29 CA GLY A 4 8.959 -12.334 6.696 1.00 0.00 C ATOM 30 C GLY A 4 9.323 -10.942 6.179 1.00 0.00 C ATOM 31 O GLY A 4 8.979 -10.583 5.055 1.00 0.00 O ATOM 0 H GLY A 4 6.974 -11.772 6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.228 -12.416 7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.536 -13.087 6.160 1.00 0.00 H new ATOM 35 N SER A 5 10.015 -10.194 7.027 1.00 0.00 N ATOM 36 CA SER A 5 10.430 -8.847 6.671 1.00 0.00 C ATOM 37 C SER A 5 11.934 -8.820 6.393 1.00 0.00 C ATOM 38 O SER A 5 12.729 -9.272 7.215 1.00 0.00 O ATOM 39 CB SER A 5 10.075 -7.851 7.776 1.00 0.00 C ATOM 40 OG SER A 5 8.667 -7.741 7.963 1.00 0.00 O ATOM 0 H SER A 5 10.299 -10.495 7.959 1.00 0.00 H new ATOM 0 HA SER A 5 9.895 -8.551 5.769 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.541 -8.164 8.710 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.485 -6.872 7.527 1.00 0.00 H new ATOM 0 HG SER A 5 8.481 -7.097 8.678 1.00 0.00 H new ATOM 45 N SER A 6 12.279 -8.284 5.231 1.00 0.00 N ATOM 46 CA SER A 6 13.674 -8.191 4.835 1.00 0.00 C ATOM 47 C SER A 6 13.815 -7.258 3.631 1.00 0.00 C ATOM 48 O SER A 6 13.415 -7.607 2.521 1.00 0.00 O ATOM 49 CB SER A 6 14.247 -9.571 4.507 1.00 0.00 C ATOM 50 OG SER A 6 15.451 -9.834 5.224 1.00 0.00 O ATOM 0 H SER A 6 11.617 -7.910 4.551 1.00 0.00 H new ATOM 0 HA SER A 6 14.240 -7.782 5.672 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.508 -10.336 4.746 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.441 -9.638 3.436 1.00 0.00 H new ATOM 0 HG SER A 6 15.784 -10.725 4.988 1.00 0.00 H new ATOM 55 N GLY A 7 14.385 -6.091 3.891 1.00 0.00 N ATOM 56 CA GLY A 7 14.584 -5.105 2.841 1.00 0.00 C ATOM 57 C GLY A 7 13.661 -3.900 3.038 1.00 0.00 C ATOM 58 O GLY A 7 12.819 -3.899 3.935 1.00 0.00 O ATOM 0 H GLY A 7 14.715 -5.805 4.813 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.623 -4.775 2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.392 -5.560 1.869 1.00 0.00 H new ATOM 62 N LEU A 8 13.851 -2.905 2.185 1.00 0.00 N ATOM 63 CA LEU A 8 13.046 -1.696 2.254 1.00 0.00 C ATOM 64 C LEU A 8 11.832 -1.844 1.335 1.00 0.00 C ATOM 65 O LEU A 8 10.693 -1.700 1.777 1.00 0.00 O ATOM 66 CB LEU A 8 13.901 -0.465 1.950 1.00 0.00 C ATOM 67 CG LEU A 8 14.482 0.264 3.164 1.00 0.00 C ATOM 68 CD1 LEU A 8 15.088 1.609 2.757 1.00 0.00 C ATOM 69 CD2 LEU A 8 13.431 0.420 4.265 1.00 0.00 C ATOM 0 H LEU A 8 14.550 -2.910 1.442 1.00 0.00 H new ATOM 0 HA LEU A 8 12.665 -1.549 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.725 -0.770 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.296 0.242 1.382 1.00 0.00 H new ATOM 0 HG LEU A 8 15.289 -0.344 3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.494 2.107 3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.886 1.444 2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.316 2.235 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.870 0.941 5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.587 0.995 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.086 -0.565 4.581 1.00 0.00 H new ATOM 80 N ARG A 9 12.117 -2.129 0.073 1.00 0.00 N ATOM 81 CA ARG A 9 11.062 -2.298 -0.912 1.00 0.00 C ATOM 82 C ARG A 9 10.203 -3.516 -0.567 1.00 0.00 C ATOM 83 O ARG A 9 9.014 -3.552 -0.884 1.00 0.00 O ATOM 84 CB ARG A 9 11.644 -2.475 -2.317 1.00 0.00 C ATOM 85 CG ARG A 9 10.543 -2.418 -3.377 1.00 0.00 C ATOM 86 CD ARG A 9 10.569 -3.666 -4.262 1.00 0.00 C ATOM 87 NE ARG A 9 9.446 -3.628 -5.225 1.00 0.00 N ATOM 88 CZ ARG A 9 9.157 -4.617 -6.082 1.00 0.00 C ATOM 89 NH1 ARG A 9 9.908 -5.726 -6.103 1.00 0.00 N ATOM 90 NH2 ARG A 9 8.118 -4.495 -6.920 1.00 0.00 N ATOM 0 H ARG A 9 13.063 -2.247 -0.290 1.00 0.00 H new ATOM 0 HA ARG A 9 10.446 -1.399 -0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.381 -1.695 -2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.166 -3.430 -2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.571 -2.332 -2.892 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.672 -1.528 -3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.516 -3.722 -4.798 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.499 -4.561 -3.644 1.00 0.00 H new ATOM 0 HE ARG A 9 8.855 -2.797 -5.237 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.700 -5.818 -5.467 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.688 -6.479 -6.755 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.548 -3.650 -6.905 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.898 -5.248 -7.572 1.00 0.00 H new ATOM 101 N LYS A 10 10.836 -4.484 0.078 1.00 0.00 N ATOM 102 CA LYS A 10 10.145 -5.700 0.470 1.00 0.00 C ATOM 103 C LYS A 10 9.184 -5.387 1.619 1.00 0.00 C ATOM 104 O LYS A 10 8.080 -5.927 1.675 1.00 0.00 O ATOM 105 CB LYS A 10 11.149 -6.807 0.793 1.00 0.00 C ATOM 106 CG LYS A 10 10.479 -7.949 1.562 1.00 0.00 C ATOM 107 CD LYS A 10 9.240 -8.455 0.822 1.00 0.00 C ATOM 108 CE LYS A 10 8.024 -8.495 1.751 1.00 0.00 C ATOM 109 NZ LYS A 10 7.618 -9.894 2.012 1.00 0.00 N ATOM 0 H LYS A 10 11.821 -4.451 0.339 1.00 0.00 H new ATOM 0 HA LYS A 10 9.543 -6.079 -0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.582 -7.191 -0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 10 11.969 -6.398 1.384 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.187 -8.767 1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.198 -7.606 2.558 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.031 -7.807 -0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.431 -9.452 0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.261 -7.997 2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.196 -7.948 1.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.792 -9.904 2.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.373 -10.358 1.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.404 -10.405 2.462 1.00 0.00 H new ATOM 119 N MET A 11 9.640 -4.517 2.509 1.00 0.00 N ATOM 120 CA MET A 11 8.834 -4.126 3.654 1.00 0.00 C ATOM 121 C MET A 11 7.554 -3.417 3.207 1.00 0.00 C ATOM 122 O MET A 11 6.452 -3.852 3.539 1.00 0.00 O ATOM 123 CB MET A 11 9.646 -3.193 4.554 1.00 0.00 C ATOM 124 CG MET A 11 10.294 -3.968 5.704 1.00 0.00 C ATOM 125 SD MET A 11 9.953 -3.155 7.256 1.00 0.00 S ATOM 126 CE MET A 11 11.213 -1.891 7.227 1.00 0.00 C ATOM 0 H MET A 11 10.557 -4.072 2.460 1.00 0.00 H new ATOM 0 HA MET A 11 8.556 -5.025 4.203 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.417 -2.695 3.966 1.00 0.00 H new ATOM 0 HB3 MET A 11 8.998 -2.414 4.955 1.00 0.00 H new ATOM 0 HG2 MET A 11 9.912 -4.988 5.727 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.371 -4.034 5.548 1.00 0.00 H new ATOM 0 HE1 MET A 11 10.861 -1.014 7.771 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.120 -2.271 7.698 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.428 -1.615 6.195 1.00 0.00 H new ATOM 134 N VAL A 12 7.742 -2.339 2.461 1.00 0.00 N ATOM 135 CA VAL A 12 6.616 -1.566 1.966 1.00 0.00 C ATOM 136 C VAL A 12 5.739 -2.458 1.084 1.00 0.00 C ATOM 137 O VAL A 12 4.514 -2.391 1.150 1.00 0.00 O ATOM 138 CB VAL A 12 7.117 -0.316 1.241 1.00 0.00 C ATOM 139 CG1 VAL A 12 8.376 -0.622 0.426 1.00 0.00 C ATOM 140 CG2 VAL A 12 6.022 0.281 0.354 1.00 0.00 C ATOM 0 H VAL A 12 8.658 -1.982 2.187 1.00 0.00 H new ATOM 0 HA VAL A 12 5.998 -1.219 2.794 1.00 0.00 H new ATOM 0 HB VAL A 12 7.378 0.426 1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.711 0.284 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.162 -0.979 1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.152 -1.389 -0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.405 1.168 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.715 -0.454 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.165 0.555 0.969 1.00 0.00 H new ATOM 150 N GLU A 13 6.404 -3.272 0.276 1.00 0.00 N ATOM 151 CA GLU A 13 5.701 -4.177 -0.619 1.00 0.00 C ATOM 152 C GLU A 13 4.446 -4.726 0.062 1.00 0.00 C ATOM 153 O GLU A 13 3.371 -4.753 -0.538 1.00 0.00 O ATOM 154 CB GLU A 13 6.616 -5.311 -1.081 1.00 0.00 C ATOM 155 CG GLU A 13 7.343 -4.937 -2.374 1.00 0.00 C ATOM 156 CD GLU A 13 6.560 -5.412 -3.601 1.00 0.00 C ATOM 157 OE1 GLU A 13 5.522 -6.075 -3.389 1.00 0.00 O ATOM 158 OE2 GLU A 13 7.017 -5.100 -4.721 1.00 0.00 O ATOM 0 H GLU A 13 7.421 -3.324 0.222 1.00 0.00 H new ATOM 0 HA GLU A 13 5.396 -3.619 -1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.345 -5.535 -0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.029 -6.216 -1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.478 -3.856 -2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.338 -5.383 -2.378 1.00 0.00 H new ATOM 163 N GLU A 14 4.623 -5.152 1.304 1.00 0.00 N ATOM 164 CA GLU A 14 3.518 -5.701 2.072 1.00 0.00 C ATOM 165 C GLU A 14 2.606 -4.576 2.567 1.00 0.00 C ATOM 166 O GLU A 14 1.384 -4.713 2.556 1.00 0.00 O ATOM 167 CB GLU A 14 4.029 -6.547 3.240 1.00 0.00 C ATOM 168 CG GLU A 14 4.150 -5.708 4.513 1.00 0.00 C ATOM 169 CD GLU A 14 4.946 -6.453 5.587 1.00 0.00 C ATOM 170 OE1 GLU A 14 6.169 -6.606 5.382 1.00 0.00 O ATOM 171 OE2 GLU A 14 4.313 -6.852 6.588 1.00 0.00 O ATOM 0 H GLU A 14 5.515 -5.128 1.798 1.00 0.00 H new ATOM 0 HA GLU A 14 2.937 -6.354 1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.350 -7.382 3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.000 -6.973 2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.639 -4.761 4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.156 -5.470 4.892 1.00 0.00 H new ATOM 176 N VAL A 15 3.236 -3.490 2.991 1.00 0.00 N ATOM 177 CA VAL A 15 2.496 -2.342 3.488 1.00 0.00 C ATOM 178 C VAL A 15 1.365 -2.008 2.514 1.00 0.00 C ATOM 179 O VAL A 15 0.342 -1.453 2.913 1.00 0.00 O ATOM 180 CB VAL A 15 3.449 -1.168 3.724 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.674 0.139 3.901 1.00 0.00 C ATOM 182 CG2 VAL A 15 4.359 -1.433 4.924 1.00 0.00 C ATOM 0 H VAL A 15 4.250 -3.381 3.001 1.00 0.00 H new ATOM 0 HA VAL A 15 2.038 -2.570 4.450 1.00 0.00 H new ATOM 0 HB VAL A 15 4.081 -1.066 2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.374 0.958 4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.088 0.339 3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.006 0.053 4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.026 -0.583 5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.751 -1.574 5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.950 -2.331 4.742 1.00 0.00 H new ATOM 192 N PHE A 16 1.587 -2.361 1.256 1.00 0.00 N ATOM 193 CA PHE A 16 0.598 -2.105 0.222 1.00 0.00 C ATOM 194 C PHE A 16 -0.272 -3.340 -0.021 1.00 0.00 C ATOM 195 O PHE A 16 -1.388 -3.227 -0.527 1.00 0.00 O ATOM 196 CB PHE A 16 1.366 -1.776 -1.059 1.00 0.00 C ATOM 197 CG PHE A 16 1.924 -0.352 -1.102 1.00 0.00 C ATOM 198 CD1 PHE A 16 1.199 0.678 -0.587 1.00 0.00 C ATOM 199 CD2 PHE A 16 3.144 -0.116 -1.655 1.00 0.00 C ATOM 200 CE1 PHE A 16 1.717 1.999 -0.628 1.00 0.00 C ATOM 201 CE2 PHE A 16 3.661 1.206 -1.695 1.00 0.00 C ATOM 202 CZ PHE A 16 2.937 2.235 -1.180 1.00 0.00 C ATOM 0 H PHE A 16 2.436 -2.822 0.930 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.056 -1.287 0.525 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.190 -2.481 -1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.706 -1.923 -1.914 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.230 0.491 -0.147 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.719 -0.934 -2.064 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.142 2.817 -0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.629 1.394 -2.135 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.331 3.240 -1.209 1.00 0.00 H new ATOM 211 N ASP A 17 0.270 -4.490 0.350 1.00 0.00 N ATOM 212 CA ASP A 17 -0.443 -5.744 0.178 1.00 0.00 C ATOM 213 C ASP A 17 -1.272 -6.030 1.432 1.00 0.00 C ATOM 214 O ASP A 17 -2.110 -6.930 1.434 1.00 0.00 O ATOM 215 CB ASP A 17 0.530 -6.908 -0.020 1.00 0.00 C ATOM 216 CG ASP A 17 0.961 -7.619 1.265 1.00 0.00 C ATOM 217 OD1 ASP A 17 0.879 -6.966 2.329 1.00 0.00 O ATOM 218 OD2 ASP A 17 1.361 -8.797 1.155 1.00 0.00 O ATOM 0 H ASP A 17 1.195 -4.580 0.769 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.080 -5.652 -0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.068 -7.639 -0.684 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.420 -6.535 -0.527 1.00 0.00 H new ATOM 222 N VAL A 18 -1.008 -5.248 2.468 1.00 0.00 N ATOM 223 CA VAL A 18 -1.720 -5.406 3.725 1.00 0.00 C ATOM 224 C VAL A 18 -2.917 -4.453 3.752 1.00 0.00 C ATOM 225 O VAL A 18 -4.060 -4.880 3.598 1.00 0.00 O ATOM 226 CB VAL A 18 -0.762 -5.196 4.899 1.00 0.00 C ATOM 227 CG1 VAL A 18 -1.532 -4.968 6.202 1.00 0.00 C ATOM 228 CG2 VAL A 18 0.206 -6.373 5.034 1.00 0.00 C ATOM 0 H VAL A 18 -0.311 -4.503 2.463 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.110 -6.420 3.818 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.175 -4.300 4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.827 -4.822 7.020 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.161 -4.084 6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.157 -5.836 6.412 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.876 -6.198 5.876 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.358 -7.290 5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.791 -6.470 4.119 1.00 0.00 H new ATOM 238 N LEU A 19 -2.613 -3.179 3.950 1.00 0.00 N ATOM 239 CA LEU A 19 -3.649 -2.161 3.999 1.00 0.00 C ATOM 240 C LEU A 19 -4.717 -2.476 2.950 1.00 0.00 C ATOM 241 O LEU A 19 -5.910 -2.318 3.208 1.00 0.00 O ATOM 242 CB LEU A 19 -3.038 -0.766 3.855 1.00 0.00 C ATOM 243 CG LEU A 19 -1.890 -0.434 4.810 1.00 0.00 C ATOM 244 CD1 LEU A 19 -1.459 1.026 4.663 1.00 0.00 C ATOM 245 CD2 LEU A 19 -2.262 -0.779 6.254 1.00 0.00 C ATOM 0 H LEU A 19 -1.664 -2.828 4.078 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.143 -2.168 4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.678 -0.653 2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.828 -0.029 3.998 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.033 -1.051 4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.642 1.235 5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.126 1.206 3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.302 1.679 4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.429 -0.534 6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.140 -0.206 6.550 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.482 -1.844 6.329 1.00 0.00 H new ATOM 256 N TYR A 20 -4.251 -2.916 1.790 1.00 0.00 N ATOM 257 CA TYR A 20 -5.152 -3.254 0.701 1.00 0.00 C ATOM 258 C TYR A 20 -6.163 -4.317 1.138 1.00 0.00 C ATOM 259 O TYR A 20 -7.364 -4.052 1.190 1.00 0.00 O ATOM 260 CB TYR A 20 -4.272 -3.830 -0.409 1.00 0.00 C ATOM 261 CG TYR A 20 -5.051 -4.302 -1.639 1.00 0.00 C ATOM 262 CD1 TYR A 20 -6.026 -3.495 -2.189 1.00 0.00 C ATOM 263 CD2 TYR A 20 -4.780 -5.535 -2.197 1.00 0.00 C ATOM 264 CE1 TYR A 20 -6.760 -3.938 -3.346 1.00 0.00 C ATOM 265 CE2 TYR A 20 -5.514 -5.978 -3.354 1.00 0.00 C ATOM 266 CZ TYR A 20 -6.467 -5.158 -3.871 1.00 0.00 C ATOM 267 OH TYR A 20 -7.160 -5.578 -4.964 1.00 0.00 O ATOM 0 H TYR A 20 -3.261 -3.046 1.581 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.712 -2.376 0.378 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.551 -3.073 -0.717 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.702 -4.669 -0.009 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.239 -2.531 -1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.018 -6.167 -1.766 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.525 -3.316 -3.787 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.312 -6.940 -3.801 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.844 -6.467 -5.230 1.00 0.00 H new ATOM 276 N SER A 21 -5.641 -5.497 1.438 1.00 0.00 N ATOM 277 CA SER A 21 -6.483 -6.601 1.867 1.00 0.00 C ATOM 278 C SER A 21 -7.373 -6.158 3.030 1.00 0.00 C ATOM 279 O SER A 21 -8.551 -6.507 3.083 1.00 0.00 O ATOM 280 CB SER A 21 -5.640 -7.811 2.275 1.00 0.00 C ATOM 281 OG SER A 21 -6.104 -9.013 1.667 1.00 0.00 O ATOM 0 H SER A 21 -4.645 -5.713 1.393 1.00 0.00 H new ATOM 0 HA SER A 21 -7.112 -6.897 1.028 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.601 -7.640 1.994 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.663 -7.920 3.359 1.00 0.00 H new ATOM 0 HG SER A 21 -5.797 -9.783 2.189 1.00 0.00 H new ATOM 286 N GLU A 22 -6.777 -5.394 3.934 1.00 0.00 N ATOM 287 CA GLU A 22 -7.501 -4.900 5.093 1.00 0.00 C ATOM 288 C GLU A 22 -8.749 -4.134 4.651 1.00 0.00 C ATOM 289 O GLU A 22 -9.827 -4.316 5.216 1.00 0.00 O ATOM 290 CB GLU A 22 -6.602 -4.026 5.969 1.00 0.00 C ATOM 291 CG GLU A 22 -5.486 -4.854 6.608 1.00 0.00 C ATOM 292 CD GLU A 22 -5.769 -5.104 8.091 1.00 0.00 C ATOM 293 OE1 GLU A 22 -5.489 -4.181 8.886 1.00 0.00 O ATOM 294 OE2 GLU A 22 -6.260 -6.213 8.396 1.00 0.00 O ATOM 0 H GLU A 22 -5.800 -5.105 3.887 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.816 -5.754 5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.168 -3.227 5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.198 -3.551 6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.391 -5.807 6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.534 -4.334 6.498 1.00 0.00 H new ATOM 299 N ALA A 23 -8.563 -3.292 3.645 1.00 0.00 N ATOM 300 CA ALA A 23 -9.661 -2.497 3.121 1.00 0.00 C ATOM 301 C ALA A 23 -10.564 -3.385 2.262 1.00 0.00 C ATOM 302 O ALA A 23 -11.768 -3.152 2.175 1.00 0.00 O ATOM 303 CB ALA A 23 -9.102 -1.306 2.340 1.00 0.00 C ATOM 0 H ALA A 23 -7.668 -3.143 3.179 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.268 -2.098 3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.926 -0.710 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.492 -0.691 3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.489 -1.668 1.514 1.00 0.00 H new ATOM 309 N LEU A 24 -9.947 -4.386 1.650 1.00 0.00 N ATOM 310 CA LEU A 24 -10.679 -5.310 0.801 1.00 0.00 C ATOM 311 C LEU A 24 -11.551 -6.215 1.675 1.00 0.00 C ATOM 312 O LEU A 24 -12.513 -6.809 1.190 1.00 0.00 O ATOM 313 CB LEU A 24 -9.719 -6.076 -0.111 1.00 0.00 C ATOM 314 CG LEU A 24 -9.793 -5.735 -1.600 1.00 0.00 C ATOM 315 CD1 LEU A 24 -8.721 -6.488 -2.389 1.00 0.00 C ATOM 316 CD2 LEU A 24 -11.198 -5.991 -2.152 1.00 0.00 C ATOM 0 H LEU A 24 -8.948 -4.577 1.726 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.349 -4.767 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.701 -5.895 0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.910 -7.143 0.007 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.590 -4.670 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.796 -6.227 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.734 -6.213 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.868 -7.561 -2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.223 -5.741 -3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.454 -7.042 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.918 -5.373 -1.616 1.00 0.00 H new ATOM 327 N GLY A 25 -11.184 -6.290 2.945 1.00 0.00 N ATOM 328 CA GLY A 25 -11.921 -7.113 3.890 1.00 0.00 C ATOM 329 C GLY A 25 -11.773 -8.598 3.555 1.00 0.00 C ATOM 330 O GLY A 25 -12.743 -9.353 3.622 1.00 0.00 O ATOM 0 H GLY A 25 -10.386 -5.795 3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.558 -6.927 4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.975 -6.836 3.874 1.00 0.00 H new ATOM 334 N ARG A 26 -10.553 -8.974 3.203 1.00 0.00 N ATOM 335 CA ARG A 26 -10.266 -10.356 2.858 1.00 0.00 C ATOM 336 C ARG A 26 -9.648 -11.085 4.053 1.00 0.00 C ATOM 337 O ARG A 26 -9.369 -10.471 5.081 1.00 0.00 O ATOM 338 CB ARG A 26 -9.307 -10.440 1.667 1.00 0.00 C ATOM 339 CG ARG A 26 -9.877 -9.705 0.452 1.00 0.00 C ATOM 340 CD ARG A 26 -10.358 -10.697 -0.610 1.00 0.00 C ATOM 341 NE ARG A 26 -11.712 -11.188 -0.269 1.00 0.00 N ATOM 342 CZ ARG A 26 -12.411 -12.047 -1.022 1.00 0.00 C ATOM 343 NH1 ARG A 26 -11.889 -12.516 -2.165 1.00 0.00 N ATOM 344 NH2 ARG A 26 -13.632 -12.439 -0.634 1.00 0.00 N ATOM 0 H ARG A 26 -9.751 -8.346 3.149 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.208 -10.831 2.586 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.344 -10.008 1.939 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.127 -11.485 1.413 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.706 -9.068 0.763 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.115 -9.052 0.027 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.372 -10.216 -1.588 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.665 -11.535 -0.677 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.140 -10.851 0.594 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.959 -12.218 -2.461 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.422 -13.170 -2.738 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.030 -12.083 0.235 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.164 -13.093 -1.208 1.00 0.00 H new ATOM 355 N ALA A 27 -9.453 -12.383 3.877 1.00 0.00 N ATOM 356 CA ALA A 27 -8.873 -13.202 4.928 1.00 0.00 C ATOM 357 C ALA A 27 -7.355 -13.259 4.747 1.00 0.00 C ATOM 358 O ALA A 27 -6.604 -13.048 5.698 1.00 0.00 O ATOM 359 CB ALA A 27 -9.516 -14.590 4.908 1.00 0.00 C ATOM 0 H ALA A 27 -9.686 -12.888 3.022 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.071 -12.766 5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.081 -15.204 5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.589 -14.496 5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.337 -15.060 3.941 1.00 0.00 H new ATOM 365 N SER A 28 -6.949 -13.544 3.518 1.00 0.00 N ATOM 366 CA SER A 28 -5.534 -13.632 3.199 1.00 0.00 C ATOM 367 C SER A 28 -5.048 -12.306 2.611 1.00 0.00 C ATOM 368 O SER A 28 -5.851 -11.430 2.297 1.00 0.00 O ATOM 369 CB SER A 28 -5.259 -14.777 2.223 1.00 0.00 C ATOM 370 OG SER A 28 -5.966 -15.963 2.579 1.00 0.00 O ATOM 0 H SER A 28 -7.575 -13.717 2.732 1.00 0.00 H new ATOM 0 HA SER A 28 -4.988 -13.837 4.120 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.546 -14.472 1.216 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.189 -14.985 2.201 1.00 0.00 H new ATOM 0 HG SER A 28 -5.766 -16.670 1.931 1.00 0.00 H new ATOM 375 N VAL A 29 -3.733 -12.200 2.479 1.00 0.00 N ATOM 376 CA VAL A 29 -3.130 -10.996 1.934 1.00 0.00 C ATOM 377 C VAL A 29 -2.998 -11.139 0.417 1.00 0.00 C ATOM 378 O VAL A 29 -2.358 -12.070 -0.070 1.00 0.00 O ATOM 379 CB VAL A 29 -1.794 -10.721 2.627 1.00 0.00 C ATOM 380 CG1 VAL A 29 -0.966 -9.705 1.837 1.00 0.00 C ATOM 381 CG2 VAL A 29 -2.010 -10.250 4.067 1.00 0.00 C ATOM 0 H VAL A 29 -3.069 -12.929 2.740 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.765 -10.131 2.125 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.235 -11.656 2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.021 -9.527 2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.768 -10.095 0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.518 -8.768 1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.045 -10.062 4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.598 -9.332 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.541 -11.020 4.626 1.00 0.00 H new ATOM 391 N VAL A 30 -3.614 -10.202 -0.289 1.00 0.00 N ATOM 392 CA VAL A 30 -3.573 -10.212 -1.742 1.00 0.00 C ATOM 393 C VAL A 30 -2.602 -9.135 -2.228 1.00 0.00 C ATOM 394 O VAL A 30 -2.325 -8.174 -1.511 1.00 0.00 O ATOM 395 CB VAL A 30 -4.985 -10.043 -2.306 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.704 -11.390 -2.398 1.00 0.00 C ATOM 397 CG2 VAL A 30 -5.792 -9.045 -1.473 1.00 0.00 C ATOM 0 H VAL A 30 -4.144 -9.431 0.118 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.204 -11.170 -2.107 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.897 -9.642 -3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.705 -11.241 -2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.144 -12.057 -3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.776 -11.833 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.792 -8.943 -1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.866 -9.404 -0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.293 -8.076 -1.483 1.00 0.00 H new ATOM 407 N PRO A 31 -2.098 -9.335 -3.475 1.00 0.00 N ATOM 408 CA PRO A 31 -1.163 -8.392 -4.065 1.00 0.00 C ATOM 409 C PRO A 31 -1.882 -7.121 -4.522 1.00 0.00 C ATOM 410 O PRO A 31 -3.108 -7.097 -4.620 1.00 0.00 O ATOM 411 CB PRO A 31 -0.511 -9.150 -5.210 1.00 0.00 C ATOM 412 CG PRO A 31 -1.429 -10.323 -5.511 1.00 0.00 C ATOM 413 CD PRO A 31 -2.403 -10.460 -4.354 1.00 0.00 C ATOM 0 HA PRO A 31 -0.412 -8.044 -3.356 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.395 -8.511 -6.085 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.485 -9.495 -4.933 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.966 -10.158 -6.445 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.851 -11.239 -5.634 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.436 -10.423 -4.700 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.273 -11.411 -3.838 1.00 0.00 H new ATOM 418 N LEU A 32 -1.088 -6.094 -4.791 1.00 0.00 N ATOM 419 CA LEU A 32 -1.634 -4.823 -5.236 1.00 0.00 C ATOM 420 C LEU A 32 -1.272 -4.604 -6.705 1.00 0.00 C ATOM 421 O LEU A 32 -0.144 -4.227 -7.021 1.00 0.00 O ATOM 422 CB LEU A 32 -1.174 -3.692 -4.314 1.00 0.00 C ATOM 423 CG LEU A 32 -1.427 -2.270 -4.820 1.00 0.00 C ATOM 424 CD1 LEU A 32 -2.801 -2.160 -5.484 1.00 0.00 C ATOM 425 CD2 LEU A 32 -1.250 -1.248 -3.695 1.00 0.00 C ATOM 0 H LEU A 32 -0.072 -6.117 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.722 -4.832 -5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.673 -3.808 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.105 -3.808 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.682 -2.041 -5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.955 -1.139 -5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.852 -2.846 -6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.576 -2.416 -4.761 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.435 -0.246 -4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.956 -1.464 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.233 -1.305 -3.308 1.00 0.00 H new ATOM 436 N PRO A 33 -2.276 -4.857 -7.588 1.00 0.00 N ATOM 437 CA PRO A 33 -2.073 -4.690 -9.018 1.00 0.00 C ATOM 438 C PRO A 33 -2.061 -3.209 -9.402 1.00 0.00 C ATOM 439 O PRO A 33 -3.075 -2.670 -9.844 1.00 0.00 O ATOM 440 CB PRO A 33 -3.210 -5.464 -9.668 1.00 0.00 C ATOM 441 CG PRO A 33 -4.264 -5.642 -8.587 1.00 0.00 C ATOM 442 CD PRO A 33 -3.623 -5.304 -7.251 1.00 0.00 C ATOM 0 HA PRO A 33 -1.107 -5.068 -9.353 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.614 -4.921 -10.522 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.864 -6.429 -10.039 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.118 -4.992 -8.776 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.638 -6.666 -8.583 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.180 -4.525 -6.731 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.599 -6.172 -6.593 1.00 0.00 H new ATOM 447 N TYR A 34 -0.903 -2.593 -9.219 1.00 0.00 N ATOM 448 CA TYR A 34 -0.745 -1.185 -9.540 1.00 0.00 C ATOM 449 C TYR A 34 -1.144 -0.906 -10.992 1.00 0.00 C ATOM 450 O TYR A 34 -1.994 -0.056 -11.253 1.00 0.00 O ATOM 451 CB TYR A 34 0.744 -0.876 -9.366 1.00 0.00 C ATOM 452 CG TYR A 34 1.325 -1.353 -8.033 1.00 0.00 C ATOM 453 CD1 TYR A 34 1.088 -0.633 -6.880 1.00 0.00 C ATOM 454 CD2 TYR A 34 2.087 -2.503 -7.984 1.00 0.00 C ATOM 455 CE1 TYR A 34 1.635 -1.080 -5.625 1.00 0.00 C ATOM 456 CE2 TYR A 34 2.634 -2.951 -6.729 1.00 0.00 C ATOM 457 CZ TYR A 34 2.380 -2.218 -5.612 1.00 0.00 C ATOM 458 OH TYR A 34 2.898 -2.640 -4.428 1.00 0.00 O ATOM 0 H TYR A 34 -0.065 -3.043 -8.852 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.377 -0.572 -8.897 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.299 -1.342 -10.180 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.894 0.200 -9.452 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.492 0.267 -6.919 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.273 -3.067 -8.886 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.458 -0.525 -4.716 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.232 -3.849 -6.676 1.00 0.00 H new ATOM 0 HH TYR A 34 3.407 -3.466 -4.569 1.00 0.00 H new ATOM 467 N GLU A 35 -0.511 -1.638 -11.897 1.00 0.00 N ATOM 468 CA GLU A 35 -0.790 -1.479 -13.314 1.00 0.00 C ATOM 469 C GLU A 35 -2.287 -1.259 -13.539 1.00 0.00 C ATOM 470 O GLU A 35 -2.683 -0.593 -14.495 1.00 0.00 O ATOM 471 CB GLU A 35 -0.287 -2.686 -14.109 1.00 0.00 C ATOM 472 CG GLU A 35 -1.111 -3.935 -13.790 1.00 0.00 C ATOM 473 CD GLU A 35 -0.576 -5.153 -14.545 1.00 0.00 C ATOM 474 OE1 GLU A 35 -0.184 -4.966 -15.717 1.00 0.00 O ATOM 475 OE2 GLU A 35 -0.572 -6.243 -13.934 1.00 0.00 O ATOM 0 H GLU A 35 0.193 -2.342 -11.677 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.256 -0.599 -13.674 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.343 -2.472 -15.176 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.762 -2.868 -13.875 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.085 -4.128 -12.717 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.154 -3.765 -14.059 1.00 0.00 H new ATOM 480 N ARG A 36 -3.078 -1.831 -12.644 1.00 0.00 N ATOM 481 CA ARG A 36 -4.523 -1.704 -12.733 1.00 0.00 C ATOM 482 C ARG A 36 -5.010 -0.549 -11.857 1.00 0.00 C ATOM 483 O ARG A 36 -5.486 0.465 -12.369 1.00 0.00 O ATOM 484 CB ARG A 36 -5.217 -2.995 -12.293 1.00 0.00 C ATOM 485 CG ARG A 36 -5.517 -3.893 -13.495 1.00 0.00 C ATOM 486 CD ARG A 36 -6.893 -3.576 -14.085 1.00 0.00 C ATOM 487 NE ARG A 36 -7.509 -4.808 -14.624 1.00 0.00 N ATOM 488 CZ ARG A 36 -7.139 -5.394 -15.772 1.00 0.00 C ATOM 489 NH1 ARG A 36 -6.153 -4.862 -16.508 1.00 0.00 N ATOM 490 NH2 ARG A 36 -7.754 -6.510 -16.185 1.00 0.00 N ATOM 0 H ARG A 36 -2.746 -2.384 -11.854 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.774 -1.505 -13.775 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.584 -3.529 -11.584 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.145 -2.755 -11.773 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.750 -3.755 -14.257 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.480 -4.939 -13.191 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.536 -3.144 -13.318 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.796 -2.832 -14.876 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.263 -5.239 -14.089 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.685 -4.012 -16.195 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.871 -5.307 -17.381 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.505 -6.915 -15.626 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.471 -6.955 -17.058 1.00 0.00 H new ATOM 501 N LEU A 37 -4.874 -0.737 -10.553 1.00 0.00 N ATOM 502 CA LEU A 37 -5.294 0.277 -9.602 1.00 0.00 C ATOM 503 C LEU A 37 -4.840 1.652 -10.095 1.00 0.00 C ATOM 504 O LEU A 37 -5.535 2.648 -9.896 1.00 0.00 O ATOM 505 CB LEU A 37 -4.798 -0.067 -8.197 1.00 0.00 C ATOM 506 CG LEU A 37 -5.207 -1.440 -7.658 1.00 0.00 C ATOM 507 CD1 LEU A 37 -5.413 -1.396 -6.143 1.00 0.00 C ATOM 508 CD2 LEU A 37 -6.442 -1.970 -8.389 1.00 0.00 C ATOM 0 H LEU A 37 -4.478 -1.578 -10.132 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.381 0.306 -9.532 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.710 -0.007 -8.193 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.162 0.695 -7.508 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.393 -2.139 -7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.703 -2.384 -5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.485 -1.093 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.198 -0.679 -5.903 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.712 -2.947 -7.987 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.273 -1.278 -8.249 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.223 -2.063 -9.453 1.00 0.00 H new ATOM 519 N LEU A 38 -3.676 1.663 -10.729 1.00 0.00 N ATOM 520 CA LEU A 38 -3.120 2.899 -11.252 1.00 0.00 C ATOM 521 C LEU A 38 -4.053 3.456 -12.329 1.00 0.00 C ATOM 522 O LEU A 38 -4.367 4.646 -12.329 1.00 0.00 O ATOM 523 CB LEU A 38 -1.685 2.679 -11.735 1.00 0.00 C ATOM 524 CG LEU A 38 -0.659 2.335 -10.654 1.00 0.00 C ATOM 525 CD1 LEU A 38 0.639 1.816 -11.275 1.00 0.00 C ATOM 526 CD2 LEU A 38 -0.415 3.529 -9.729 1.00 0.00 C ATOM 0 H LEU A 38 -3.103 0.835 -10.892 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.055 3.651 -10.465 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.690 1.876 -12.472 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.353 3.581 -12.249 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.066 1.531 -10.041 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.351 1.579 -10.485 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.430 0.918 -11.857 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.062 2.581 -11.927 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.318 3.257 -8.970 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.039 4.370 -10.312 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.350 3.812 -9.245 1.00 0.00 H new ATOM 537 N ARG A 39 -4.470 2.571 -13.222 1.00 0.00 N ATOM 538 CA ARG A 39 -5.362 2.960 -14.302 1.00 0.00 C ATOM 539 C ARG A 39 -6.582 3.695 -13.745 1.00 0.00 C ATOM 540 O ARG A 39 -6.962 4.749 -14.253 1.00 0.00 O ATOM 541 CB ARG A 39 -5.828 1.739 -15.097 1.00 0.00 C ATOM 542 CG ARG A 39 -6.745 2.153 -16.250 1.00 0.00 C ATOM 543 CD ARG A 39 -6.894 1.020 -17.267 1.00 0.00 C ATOM 544 NE ARG A 39 -7.745 1.460 -18.394 1.00 0.00 N ATOM 545 CZ ARG A 39 -7.320 2.239 -19.398 1.00 0.00 C ATOM 546 NH1 ARG A 39 -6.051 2.667 -19.422 1.00 0.00 N ATOM 547 NH2 ARG A 39 -8.163 2.589 -20.379 1.00 0.00 N ATOM 0 H ARG A 39 -4.207 1.586 -13.220 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.808 3.623 -14.967 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.963 1.204 -15.489 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.356 1.051 -14.437 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.725 2.427 -15.859 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.340 3.037 -16.742 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.913 0.721 -17.637 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.334 0.146 -16.788 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.717 1.151 -18.408 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.409 2.400 -18.676 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.727 3.260 -20.186 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.129 2.262 -20.362 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.839 3.182 -21.143 1.00 0.00 H new ATOM 558 N GLU A 40 -7.164 3.109 -12.709 1.00 0.00 N ATOM 559 CA GLU A 40 -8.334 3.695 -12.077 1.00 0.00 C ATOM 560 C GLU A 40 -8.006 4.123 -10.645 1.00 0.00 C ATOM 561 O GLU A 40 -7.932 3.288 -9.746 1.00 0.00 O ATOM 562 CB GLU A 40 -9.515 2.723 -12.102 1.00 0.00 C ATOM 563 CG GLU A 40 -9.030 1.272 -12.165 1.00 0.00 C ATOM 564 CD GLU A 40 -10.206 0.308 -12.332 1.00 0.00 C ATOM 565 OE1 GLU A 40 -11.324 0.703 -11.938 1.00 0.00 O ATOM 566 OE2 GLU A 40 -9.960 -0.804 -12.850 1.00 0.00 O ATOM 0 H GLU A 40 -6.847 2.234 -12.291 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.623 4.581 -12.643 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.128 2.867 -11.212 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.148 2.936 -12.963 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.336 1.152 -12.997 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.482 1.028 -11.255 1.00 0.00 H new ATOM 571 N PRO A 41 -7.813 5.458 -10.475 1.00 0.00 N ATOM 572 CA PRO A 41 -7.495 6.007 -9.168 1.00 0.00 C ATOM 573 C PRO A 41 -8.733 6.035 -8.269 1.00 0.00 C ATOM 574 O PRO A 41 -8.615 6.056 -7.044 1.00 0.00 O ATOM 575 CB PRO A 41 -6.932 7.391 -9.449 1.00 0.00 C ATOM 576 CG PRO A 41 -7.385 7.747 -10.855 1.00 0.00 C ATOM 577 CD PRO A 41 -7.892 6.476 -11.518 1.00 0.00 C ATOM 0 HA PRO A 41 -6.772 5.401 -8.622 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.300 8.117 -8.724 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.844 7.392 -9.377 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.172 8.501 -10.823 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.559 8.172 -11.426 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.914 6.597 -11.877 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.281 6.208 -12.380 1.00 0.00 H new ATOM 582 N GLY A 42 -9.891 6.037 -8.912 1.00 0.00 N ATOM 583 CA GLY A 42 -11.150 6.063 -8.186 1.00 0.00 C ATOM 584 C GLY A 42 -11.451 4.699 -7.562 1.00 0.00 C ATOM 585 O GLY A 42 -12.037 4.622 -6.482 1.00 0.00 O ATOM 0 H GLY A 42 -9.984 6.021 -9.928 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.108 6.823 -7.406 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.958 6.344 -8.862 1.00 0.00 H new ATOM 589 N LEU A 43 -11.038 3.657 -8.267 1.00 0.00 N ATOM 590 CA LEU A 43 -11.256 2.300 -7.795 1.00 0.00 C ATOM 591 C LEU A 43 -10.627 2.139 -6.410 1.00 0.00 C ATOM 592 O LEU A 43 -11.222 1.530 -5.522 1.00 0.00 O ATOM 593 CB LEU A 43 -10.747 1.287 -8.824 1.00 0.00 C ATOM 594 CG LEU A 43 -11.211 -0.158 -8.627 1.00 0.00 C ATOM 595 CD1 LEU A 43 -12.639 -0.351 -9.140 1.00 0.00 C ATOM 596 CD2 LEU A 43 -10.232 -1.141 -9.275 1.00 0.00 C ATOM 0 H LEU A 43 -10.553 3.725 -9.162 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.322 2.101 -7.686 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.060 1.617 -9.815 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.657 1.303 -8.812 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.222 -0.370 -7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.943 -1.386 -8.988 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.314 0.309 -8.595 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.679 -0.114 -10.203 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.585 -2.161 -9.121 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.166 -0.938 -10.344 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.247 -1.025 -8.822 1.00 0.00 H new ATOM 607 N LEU A 44 -9.433 2.694 -6.269 1.00 0.00 N ATOM 608 CA LEU A 44 -8.717 2.620 -5.008 1.00 0.00 C ATOM 609 C LEU A 44 -7.768 3.815 -4.893 1.00 0.00 C ATOM 610 O LEU A 44 -6.775 3.894 -5.614 1.00 0.00 O ATOM 611 CB LEU A 44 -8.019 1.265 -4.867 1.00 0.00 C ATOM 612 CG LEU A 44 -7.032 1.136 -3.704 1.00 0.00 C ATOM 613 CD1 LEU A 44 -7.571 1.827 -2.449 1.00 0.00 C ATOM 614 CD2 LEU A 44 -6.679 -0.329 -3.446 1.00 0.00 C ATOM 0 H LEU A 44 -8.943 3.197 -7.008 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.413 2.684 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.783 0.495 -4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.486 1.055 -5.794 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.109 1.645 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.851 1.721 -1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.731 2.885 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.516 1.368 -2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.976 -0.393 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.584 -0.883 -3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.224 -0.756 -4.340 1.00 0.00 H new ATOM 625 N ALA A 45 -8.107 4.714 -3.981 1.00 0.00 N ATOM 626 CA ALA A 45 -7.299 5.900 -3.762 1.00 0.00 C ATOM 627 C ALA A 45 -6.437 5.702 -2.514 1.00 0.00 C ATOM 628 O ALA A 45 -6.948 5.354 -1.451 1.00 0.00 O ATOM 629 CB ALA A 45 -8.209 7.125 -3.654 1.00 0.00 C ATOM 0 H ALA A 45 -8.932 4.644 -3.385 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.627 6.067 -4.603 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.602 8.016 -3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.777 7.239 -4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.897 6.995 -2.818 1.00 0.00 H new ATOM 635 N VAL A 46 -5.143 5.934 -2.684 1.00 0.00 N ATOM 636 CA VAL A 46 -4.205 5.785 -1.585 1.00 0.00 C ATOM 637 C VAL A 46 -4.022 7.136 -0.891 1.00 0.00 C ATOM 638 O VAL A 46 -3.590 8.105 -1.513 1.00 0.00 O ATOM 639 CB VAL A 46 -2.890 5.192 -2.095 1.00 0.00 C ATOM 640 CG1 VAL A 46 -1.908 4.964 -0.944 1.00 0.00 C ATOM 641 CG2 VAL A 46 -3.138 3.896 -2.869 1.00 0.00 C ATOM 0 H VAL A 46 -4.723 6.224 -3.567 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.594 5.088 -0.843 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.441 5.911 -2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.982 4.542 -1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.696 5.914 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.346 4.273 -0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.188 3.495 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.620 3.168 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.784 4.100 -3.723 1.00 0.00 H new ATOM 651 N GLN A 47 -4.358 7.156 0.391 1.00 0.00 N ATOM 652 CA GLN A 47 -4.235 8.372 1.178 1.00 0.00 C ATOM 653 C GLN A 47 -3.233 8.171 2.316 1.00 0.00 C ATOM 654 O GLN A 47 -2.859 7.040 2.624 1.00 0.00 O ATOM 655 CB GLN A 47 -5.597 8.815 1.718 1.00 0.00 C ATOM 656 CG GLN A 47 -6.409 9.533 0.638 1.00 0.00 C ATOM 657 CD GLN A 47 -6.230 11.049 0.735 1.00 0.00 C ATOM 658 OE1 GLN A 47 -6.411 11.656 1.777 1.00 0.00 O ATOM 659 NE2 GLN A 47 -5.865 11.625 -0.407 1.00 0.00 N ATOM 0 H GLN A 47 -4.715 6.350 0.904 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.862 9.165 0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.150 7.947 2.076 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.455 9.477 2.572 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.095 9.188 -0.347 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.464 9.280 0.743 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.730 11.058 -1.244 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.720 12.634 -0.446 1.00 0.00 H new ATOM 666 N GLY A 48 -2.826 9.283 2.908 1.00 0.00 N ATOM 667 CA GLY A 48 -1.874 9.243 4.004 1.00 0.00 C ATOM 668 C GLY A 48 -0.497 8.791 3.518 1.00 0.00 C ATOM 669 O GLY A 48 0.254 8.163 4.265 1.00 0.00 O ATOM 0 H GLY A 48 -3.139 10.219 2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.797 10.230 4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.232 8.563 4.777 1.00 0.00 H new ATOM 673 N LEU A 49 -0.205 9.127 2.271 1.00 0.00 N ATOM 674 CA LEU A 49 1.070 8.762 1.675 1.00 0.00 C ATOM 675 C LEU A 49 2.162 9.686 2.217 1.00 0.00 C ATOM 676 O LEU A 49 1.866 10.719 2.817 1.00 0.00 O ATOM 677 CB LEU A 49 0.967 8.758 0.149 1.00 0.00 C ATOM 678 CG LEU A 49 0.567 7.428 -0.493 1.00 0.00 C ATOM 679 CD1 LEU A 49 -0.080 7.652 -1.861 1.00 0.00 C ATOM 680 CD2 LEU A 49 1.764 6.477 -0.574 1.00 0.00 C ATOM 0 H LEU A 49 -0.829 9.649 1.656 1.00 0.00 H new ATOM 0 HA LEU A 49 1.345 7.745 1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.241 9.515 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.930 9.061 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.180 6.953 0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.355 6.691 -2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.973 8.266 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.626 8.159 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.453 5.539 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.551 6.933 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.142 6.281 0.430 1.00 0.00 H new ATOM 691 N PRO A 50 3.435 9.271 1.978 1.00 0.00 N ATOM 692 CA PRO A 50 4.574 10.051 2.434 1.00 0.00 C ATOM 693 C PRO A 50 4.777 11.290 1.560 1.00 0.00 C ATOM 694 O PRO A 50 5.288 11.189 0.444 1.00 0.00 O ATOM 695 CB PRO A 50 5.752 9.092 2.388 1.00 0.00 C ATOM 696 CG PRO A 50 5.327 7.954 1.472 1.00 0.00 C ATOM 697 CD PRO A 50 3.824 8.055 1.272 1.00 0.00 C ATOM 0 HA PRO A 50 4.437 10.445 3.441 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.645 9.588 2.007 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.994 8.722 3.384 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.845 8.020 0.515 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.590 6.992 1.911 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.569 8.113 0.214 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.312 7.182 1.676 1.00 0.00 H new ATOM 702 N GLU A 51 4.367 12.428 2.098 1.00 0.00 N ATOM 703 CA GLU A 51 4.497 13.685 1.380 1.00 0.00 C ATOM 704 C GLU A 51 5.748 13.666 0.497 1.00 0.00 C ATOM 705 O GLU A 51 6.756 13.061 0.858 1.00 0.00 O ATOM 706 CB GLU A 51 4.527 14.869 2.348 1.00 0.00 C ATOM 707 CG GLU A 51 5.802 14.852 3.195 1.00 0.00 C ATOM 708 CD GLU A 51 6.163 16.261 3.669 1.00 0.00 C ATOM 709 OE1 GLU A 51 6.529 17.077 2.796 1.00 0.00 O ATOM 710 OE2 GLU A 51 6.065 16.490 4.894 1.00 0.00 O ATOM 0 H GLU A 51 3.944 12.507 3.023 1.00 0.00 H new ATOM 0 HA GLU A 51 3.625 13.806 0.738 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.470 15.803 1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.653 14.834 2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.662 14.199 4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.625 14.438 2.612 1.00 0.00 H new ATOM 715 N GLY A 52 5.640 14.335 -0.641 1.00 0.00 N ATOM 716 CA GLY A 52 6.750 14.401 -1.577 1.00 0.00 C ATOM 717 C GLY A 52 6.951 13.060 -2.286 1.00 0.00 C ATOM 718 O GLY A 52 8.081 12.604 -2.449 1.00 0.00 O ATOM 0 H GLY A 52 4.802 14.836 -0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.562 15.182 -2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.662 14.676 -1.047 1.00 0.00 H new ATOM 722 N LEU A 53 5.837 12.467 -2.688 1.00 0.00 N ATOM 723 CA LEU A 53 5.876 11.188 -3.375 1.00 0.00 C ATOM 724 C LEU A 53 4.614 11.031 -4.226 1.00 0.00 C ATOM 725 O LEU A 53 3.844 11.977 -4.380 1.00 0.00 O ATOM 726 CB LEU A 53 6.089 10.048 -2.375 1.00 0.00 C ATOM 727 CG LEU A 53 7.543 9.707 -2.047 1.00 0.00 C ATOM 728 CD1 LEU A 53 7.623 8.612 -0.982 1.00 0.00 C ATOM 729 CD2 LEU A 53 8.319 9.334 -3.313 1.00 0.00 C ATOM 0 H LEU A 53 4.901 12.849 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 53 6.727 11.148 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.579 10.305 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.606 9.153 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 53 8.016 10.596 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.668 8.389 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.131 8.953 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.127 7.712 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.350 9.096 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.854 8.467 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.306 10.173 -4.008 1.00 0.00 H new ATOM 740 N ALA A 54 4.442 9.829 -4.756 1.00 0.00 N ATOM 741 CA ALA A 54 3.286 9.537 -5.588 1.00 0.00 C ATOM 742 C ALA A 54 2.984 8.038 -5.523 1.00 0.00 C ATOM 743 O ALA A 54 3.900 7.217 -5.512 1.00 0.00 O ATOM 744 CB ALA A 54 3.550 10.018 -7.016 1.00 0.00 C ATOM 0 H ALA A 54 5.083 9.046 -4.626 1.00 0.00 H new ATOM 0 HA ALA A 54 2.406 10.067 -5.224 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.683 9.799 -7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.731 11.093 -7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.424 9.505 -7.417 1.00 0.00 H new ATOM 750 N PHE A 55 1.696 7.727 -5.485 1.00 0.00 N ATOM 751 CA PHE A 55 1.262 6.343 -5.423 1.00 0.00 C ATOM 752 C PHE A 55 1.763 5.556 -6.636 1.00 0.00 C ATOM 753 O PHE A 55 1.303 5.774 -7.755 1.00 0.00 O ATOM 754 CB PHE A 55 -0.268 6.353 -5.434 1.00 0.00 C ATOM 755 CG PHE A 55 -0.897 4.980 -5.675 1.00 0.00 C ATOM 756 CD1 PHE A 55 -0.483 3.905 -4.953 1.00 0.00 C ATOM 757 CD2 PHE A 55 -1.872 4.834 -6.613 1.00 0.00 C ATOM 758 CE1 PHE A 55 -1.067 2.631 -5.177 1.00 0.00 C ATOM 759 CE2 PHE A 55 -2.457 3.559 -6.836 1.00 0.00 C ATOM 760 CZ PHE A 55 -2.042 2.485 -6.114 1.00 0.00 C ATOM 0 H PHE A 55 0.939 8.411 -5.496 1.00 0.00 H new ATOM 0 HA PHE A 55 1.660 5.869 -4.526 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.625 6.743 -4.481 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.611 7.039 -6.208 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.291 4.021 -4.208 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.201 5.687 -7.188 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.737 1.777 -4.603 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.232 3.443 -7.579 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.486 1.516 -6.284 1.00 0.00 H new ATOM 769 N ARG A 56 2.701 4.658 -6.372 1.00 0.00 N ATOM 770 CA ARG A 56 3.270 3.837 -7.428 1.00 0.00 C ATOM 771 C ARG A 56 4.005 2.637 -6.829 1.00 0.00 C ATOM 772 O ARG A 56 4.255 2.594 -5.625 1.00 0.00 O ATOM 773 CB ARG A 56 4.243 4.645 -8.289 1.00 0.00 C ATOM 774 CG ARG A 56 4.941 5.725 -7.461 1.00 0.00 C ATOM 775 CD ARG A 56 6.396 5.899 -7.900 1.00 0.00 C ATOM 776 NE ARG A 56 6.448 6.458 -9.269 1.00 0.00 N ATOM 777 CZ ARG A 56 7.580 6.639 -9.965 1.00 0.00 C ATOM 778 NH1 ARG A 56 8.759 6.307 -9.423 1.00 0.00 N ATOM 779 NH2 ARG A 56 7.531 7.153 -11.200 1.00 0.00 N ATOM 0 H ARG A 56 3.081 4.481 -5.442 1.00 0.00 H new ATOM 0 HA ARG A 56 2.450 3.488 -8.056 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.987 3.979 -8.726 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.704 5.107 -9.116 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.410 6.671 -7.569 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.906 5.458 -6.405 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.917 6.561 -7.208 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.911 4.939 -7.871 1.00 0.00 H new ATOM 0 HE ARG A 56 5.568 6.722 -9.711 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.796 5.917 -8.481 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.620 6.444 -9.952 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.633 7.407 -11.611 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.392 7.291 -11.730 1.00 0.00 H new ATOM 790 N ARG A 57 4.330 1.690 -7.697 1.00 0.00 N ATOM 791 CA ARG A 57 5.032 0.491 -7.269 1.00 0.00 C ATOM 792 C ARG A 57 6.069 0.838 -6.198 1.00 0.00 C ATOM 793 O ARG A 57 6.609 1.943 -6.186 1.00 0.00 O ATOM 794 CB ARG A 57 5.733 -0.187 -8.447 1.00 0.00 C ATOM 795 CG ARG A 57 5.029 -1.492 -8.827 1.00 0.00 C ATOM 796 CD ARG A 57 5.535 -2.017 -10.171 1.00 0.00 C ATOM 797 NE ARG A 57 4.859 -3.292 -10.504 1.00 0.00 N ATOM 798 CZ ARG A 57 3.661 -3.373 -11.099 1.00 0.00 C ATOM 799 NH1 ARG A 57 3.001 -2.256 -11.431 1.00 0.00 N ATOM 800 NH2 ARG A 57 3.125 -4.572 -11.362 1.00 0.00 N ATOM 0 H ARG A 57 4.120 1.728 -8.694 1.00 0.00 H new ATOM 0 HA ARG A 57 4.294 -0.197 -6.856 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.745 0.487 -9.304 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.772 -0.392 -8.188 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.200 -2.240 -8.053 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.953 -1.327 -8.879 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.346 -1.281 -10.953 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.614 -2.168 -10.129 1.00 0.00 H new ATOM 0 HE ARG A 57 5.335 -4.162 -10.266 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.410 -1.343 -11.231 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.089 -2.318 -11.884 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.629 -5.422 -11.109 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.213 -4.635 -11.815 1.00 0.00 H new ATOM 811 N PRO A 58 6.324 -0.154 -5.303 1.00 0.00 N ATOM 812 CA PRO A 58 7.286 0.034 -4.231 1.00 0.00 C ATOM 813 C PRO A 58 8.720 -0.032 -4.763 1.00 0.00 C ATOM 814 O PRO A 58 9.652 0.418 -4.101 1.00 0.00 O ATOM 815 CB PRO A 58 6.974 -1.062 -3.225 1.00 0.00 C ATOM 816 CG PRO A 58 6.162 -2.101 -3.980 1.00 0.00 C ATOM 817 CD PRO A 58 5.703 -1.475 -5.286 1.00 0.00 C ATOM 0 HA PRO A 58 7.210 1.016 -3.765 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.890 -1.497 -2.825 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.412 -0.667 -2.378 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.764 -2.989 -4.173 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.304 -2.420 -3.387 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.017 -2.071 -6.143 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.616 -1.402 -5.330 1.00 0.00 H new ATOM 822 N ALA A 59 8.848 -0.597 -5.955 1.00 0.00 N ATOM 823 CA ALA A 59 10.151 -0.729 -6.584 1.00 0.00 C ATOM 824 C ALA A 59 10.467 0.549 -7.364 1.00 0.00 C ATOM 825 O ALA A 59 11.631 0.925 -7.502 1.00 0.00 O ATOM 826 CB ALA A 59 10.167 -1.973 -7.472 1.00 0.00 C ATOM 0 H ALA A 59 8.071 -0.968 -6.501 1.00 0.00 H new ATOM 0 HA ALA A 59 10.929 -0.857 -5.831 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.145 -2.071 -7.943 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.967 -2.856 -6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.401 -1.880 -8.242 1.00 0.00 H new ATOM 832 N GLU A 60 9.411 1.181 -7.856 1.00 0.00 N ATOM 833 CA GLU A 60 9.562 2.408 -8.619 1.00 0.00 C ATOM 834 C GLU A 60 9.929 3.567 -7.692 1.00 0.00 C ATOM 835 O GLU A 60 10.434 4.594 -8.145 1.00 0.00 O ATOM 836 CB GLU A 60 8.290 2.720 -9.411 1.00 0.00 C ATOM 837 CG GLU A 60 8.126 1.757 -10.587 1.00 0.00 C ATOM 838 CD GLU A 60 8.170 2.508 -11.920 1.00 0.00 C ATOM 839 OE1 GLU A 60 7.759 3.688 -11.921 1.00 0.00 O ATOM 840 OE2 GLU A 60 8.615 1.883 -12.908 1.00 0.00 O ATOM 0 H GLU A 60 8.448 0.866 -7.741 1.00 0.00 H new ATOM 0 HA GLU A 60 10.372 2.271 -9.335 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.422 2.649 -8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.329 3.745 -9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.917 1.008 -10.561 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.179 1.224 -10.496 1.00 0.00 H new ATOM 845 N TYR A 61 9.663 3.366 -6.409 1.00 0.00 N ATOM 846 CA TYR A 61 9.959 4.383 -5.415 1.00 0.00 C ATOM 847 C TYR A 61 11.466 4.486 -5.168 1.00 0.00 C ATOM 848 O TYR A 61 12.228 3.617 -5.590 1.00 0.00 O ATOM 849 CB TYR A 61 9.274 3.924 -4.126 1.00 0.00 C ATOM 850 CG TYR A 61 7.906 4.567 -3.886 1.00 0.00 C ATOM 851 CD1 TYR A 61 7.709 5.901 -4.181 1.00 0.00 C ATOM 852 CD2 TYR A 61 6.869 3.813 -3.374 1.00 0.00 C ATOM 853 CE1 TYR A 61 6.422 6.506 -3.955 1.00 0.00 C ATOM 854 CE2 TYR A 61 5.583 4.418 -3.148 1.00 0.00 C ATOM 855 CZ TYR A 61 5.422 5.735 -3.449 1.00 0.00 C ATOM 856 OH TYR A 61 4.207 6.306 -3.236 1.00 0.00 O ATOM 0 H TYR A 61 9.246 2.513 -6.036 1.00 0.00 H new ATOM 0 HA TYR A 61 9.610 5.360 -5.750 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.155 2.841 -4.156 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.924 4.150 -3.281 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.520 6.491 -4.581 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.023 2.769 -3.143 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.254 7.548 -4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.764 3.839 -2.748 1.00 0.00 H new ATOM 0 HH TYR A 61 3.689 6.294 -4.068 1.00 0.00 H new ATOM 865 N ASP A 62 11.850 5.555 -4.486 1.00 0.00 N ATOM 866 CA ASP A 62 13.252 5.783 -4.178 1.00 0.00 C ATOM 867 C ASP A 62 13.619 5.023 -2.902 1.00 0.00 C ATOM 868 O ASP A 62 12.785 4.322 -2.331 1.00 0.00 O ATOM 869 CB ASP A 62 13.529 7.268 -3.942 1.00 0.00 C ATOM 870 CG ASP A 62 12.403 8.212 -4.368 1.00 0.00 C ATOM 871 OD1 ASP A 62 12.070 8.190 -5.573 1.00 0.00 O ATOM 872 OD2 ASP A 62 11.902 8.935 -3.480 1.00 0.00 O ATOM 0 H ASP A 62 11.215 6.273 -4.138 1.00 0.00 H new ATOM 0 HA ASP A 62 13.845 5.437 -5.025 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.729 7.421 -2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.436 7.543 -4.480 1.00 0.00 H new ATOM 876 N PRO A 63 14.901 5.193 -2.481 1.00 0.00 N ATOM 877 CA PRO A 63 15.389 4.532 -1.283 1.00 0.00 C ATOM 878 C PRO A 63 14.849 5.212 -0.024 1.00 0.00 C ATOM 879 O PRO A 63 14.305 4.550 0.859 1.00 0.00 O ATOM 880 CB PRO A 63 16.904 4.594 -1.389 1.00 0.00 C ATOM 881 CG PRO A 63 17.207 5.688 -2.399 1.00 0.00 C ATOM 882 CD PRO A 63 15.916 6.015 -3.133 1.00 0.00 C ATOM 0 HA PRO A 63 15.051 3.499 -1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.354 4.820 -0.422 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.312 3.637 -1.715 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.596 6.574 -1.897 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.972 5.358 -3.101 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.675 7.075 -3.058 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.994 5.780 -4.195 1.00 0.00 H new ATOM 887 N LYS A 64 15.018 6.526 0.020 1.00 0.00 N ATOM 888 CA LYS A 64 14.554 7.303 1.156 1.00 0.00 C ATOM 889 C LYS A 64 13.025 7.287 1.189 1.00 0.00 C ATOM 890 O LYS A 64 12.421 7.469 2.246 1.00 0.00 O ATOM 891 CB LYS A 64 15.156 8.709 1.126 1.00 0.00 C ATOM 892 CG LYS A 64 16.574 8.712 1.700 1.00 0.00 C ATOM 893 CD LYS A 64 17.617 8.592 0.587 1.00 0.00 C ATOM 894 CE LYS A 64 18.763 9.581 0.801 1.00 0.00 C ATOM 895 NZ LYS A 64 18.683 10.687 -0.181 1.00 0.00 N ATOM 0 H LYS A 64 15.470 7.072 -0.714 1.00 0.00 H new ATOM 0 HA LYS A 64 14.897 6.856 2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.174 9.079 0.101 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.527 9.390 1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.741 9.631 2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.688 7.885 2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 64 18.010 7.575 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.147 8.778 -0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.721 9.982 1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.719 9.067 0.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 19.468 11.350 -0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.745 10.301 -1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.779 11.188 -0.067 1.00 0.00 H new ATOM 905 N ALA A 65 12.442 7.071 0.020 1.00 0.00 N ATOM 906 CA ALA A 65 10.994 7.030 -0.098 1.00 0.00 C ATOM 907 C ALA A 65 10.453 5.848 0.707 1.00 0.00 C ATOM 908 O ALA A 65 9.681 6.034 1.647 1.00 0.00 O ATOM 909 CB ALA A 65 10.605 6.955 -1.577 1.00 0.00 C ATOM 0 H ALA A 65 12.946 6.922 -0.854 1.00 0.00 H new ATOM 0 HA ALA A 65 10.550 7.937 0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.519 6.924 -1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.987 7.832 -2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.031 6.055 -2.020 1.00 0.00 H new ATOM 915 N LEU A 66 10.881 4.658 0.312 1.00 0.00 N ATOM 916 CA LEU A 66 10.450 3.446 0.987 1.00 0.00 C ATOM 917 C LEU A 66 10.490 3.667 2.500 1.00 0.00 C ATOM 918 O LEU A 66 9.559 3.292 3.211 1.00 0.00 O ATOM 919 CB LEU A 66 11.278 2.248 0.518 1.00 0.00 C ATOM 920 CG LEU A 66 11.202 1.922 -0.975 1.00 0.00 C ATOM 921 CD1 LEU A 66 12.225 0.850 -1.356 1.00 0.00 C ATOM 922 CD2 LEU A 66 9.779 1.527 -1.377 1.00 0.00 C ATOM 0 H LEU A 66 11.522 4.507 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 66 9.418 3.212 0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.321 2.429 0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.958 1.369 1.078 1.00 0.00 H new ATOM 0 HG LEU A 66 11.457 2.822 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.149 0.637 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.229 1.208 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.027 -0.060 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.752 1.300 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.472 0.648 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.099 2.351 -1.164 1.00 0.00 H new ATOM 933 N MET A 67 11.579 4.275 2.949 1.00 0.00 N ATOM 934 CA MET A 67 11.754 4.550 4.364 1.00 0.00 C ATOM 935 C MET A 67 10.706 5.549 4.862 1.00 0.00 C ATOM 936 O MET A 67 10.234 5.447 5.993 1.00 0.00 O ATOM 937 CB MET A 67 13.153 5.117 4.605 1.00 0.00 C ATOM 938 CG MET A 67 14.147 4.001 4.935 1.00 0.00 C ATOM 939 SD MET A 67 15.812 4.646 4.932 1.00 0.00 S ATOM 940 CE MET A 67 16.186 4.529 3.190 1.00 0.00 C ATOM 0 H MET A 67 12.349 4.585 2.356 1.00 0.00 H new ATOM 0 HA MET A 67 11.631 3.617 4.914 1.00 0.00 H new ATOM 0 HB2 MET A 67 13.488 5.657 3.720 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.122 5.835 5.424 1.00 0.00 H new ATOM 0 HG2 MET A 67 13.916 3.573 5.911 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.059 3.196 4.205 1.00 0.00 H new ATOM 0 HE1 MET A 67 16.928 3.747 3.029 1.00 0.00 H new ATOM 0 HE2 MET A 67 15.278 4.287 2.638 1.00 0.00 H new ATOM 0 HE3 MET A 67 16.582 5.482 2.838 1.00 0.00 H new ATOM 948 N ALA A 68 10.373 6.491 3.992 1.00 0.00 N ATOM 949 CA ALA A 68 9.390 7.506 4.327 1.00 0.00 C ATOM 950 C ALA A 68 7.993 6.883 4.313 1.00 0.00 C ATOM 951 O ALA A 68 7.059 7.430 4.897 1.00 0.00 O ATOM 952 CB ALA A 68 9.514 8.680 3.353 1.00 0.00 C ATOM 0 H ALA A 68 10.767 6.572 3.055 1.00 0.00 H new ATOM 0 HA ALA A 68 9.568 7.894 5.330 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.776 9.441 3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.514 9.107 3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.340 8.329 2.336 1.00 0.00 H new ATOM 958 N ILE A 69 7.894 5.746 3.640 1.00 0.00 N ATOM 959 CA ILE A 69 6.626 5.042 3.542 1.00 0.00 C ATOM 960 C ILE A 69 6.402 4.225 4.816 1.00 0.00 C ATOM 961 O ILE A 69 5.284 4.152 5.322 1.00 0.00 O ATOM 962 CB ILE A 69 6.575 4.209 2.260 1.00 0.00 C ATOM 963 CG1 ILE A 69 6.726 5.096 1.023 1.00 0.00 C ATOM 964 CG2 ILE A 69 5.300 3.363 2.207 1.00 0.00 C ATOM 965 CD1 ILE A 69 7.443 4.348 -0.103 1.00 0.00 C ATOM 0 H ILE A 69 8.671 5.295 3.157 1.00 0.00 H new ATOM 0 HA ILE A 69 5.801 5.750 3.468 1.00 0.00 H new ATOM 0 HB ILE A 69 7.419 3.520 2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.743 5.420 0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.286 5.995 1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.288 2.780 1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.275 2.689 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.428 4.017 2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.538 5.001 -0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.435 4.047 0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.868 3.463 -0.376 1.00 0.00 H new ATOM 976 N LEU A 70 7.484 3.632 5.299 1.00 0.00 N ATOM 977 CA LEU A 70 7.419 2.823 6.504 1.00 0.00 C ATOM 978 C LEU A 70 7.155 3.730 7.708 1.00 0.00 C ATOM 979 O LEU A 70 6.575 3.295 8.701 1.00 0.00 O ATOM 980 CB LEU A 70 8.680 1.967 6.643 1.00 0.00 C ATOM 981 CG LEU A 70 9.079 1.154 5.410 1.00 0.00 C ATOM 982 CD1 LEU A 70 10.590 0.922 5.372 1.00 0.00 C ATOM 983 CD2 LEU A 70 8.295 -0.158 5.342 1.00 0.00 C ATOM 0 H LEU A 70 8.411 3.696 4.878 1.00 0.00 H new ATOM 0 HA LEU A 70 6.589 2.119 6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.511 2.621 6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.538 1.279 7.477 1.00 0.00 H new ATOM 0 HG LEU A 70 8.820 1.730 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.847 0.342 4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.105 1.882 5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.897 0.376 6.264 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.597 -0.717 4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.500 -0.751 6.233 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.228 0.058 5.288 1.00 0.00 H new ATOM 994 N GLU A 71 7.594 4.973 7.579 1.00 0.00 N ATOM 995 CA GLU A 71 7.413 5.946 8.644 1.00 0.00 C ATOM 996 C GLU A 71 6.057 6.640 8.503 1.00 0.00 C ATOM 997 O GLU A 71 5.369 6.874 9.496 1.00 0.00 O ATOM 998 CB GLU A 71 8.553 6.965 8.656 1.00 0.00 C ATOM 999 CG GLU A 71 9.809 6.377 9.304 1.00 0.00 C ATOM 1000 CD GLU A 71 10.860 7.462 9.545 1.00 0.00 C ATOM 1001 OE1 GLU A 71 11.076 8.261 8.608 1.00 0.00 O ATOM 1002 OE2 GLU A 71 11.425 7.467 10.661 1.00 0.00 O ATOM 0 H GLU A 71 8.075 5.329 6.753 1.00 0.00 H new ATOM 0 HA GLU A 71 7.432 5.419 9.598 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.778 7.276 7.636 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.242 7.857 9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.547 5.903 10.250 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.224 5.600 8.662 1.00 0.00 H new ATOM 1007 N HIS A 72 5.714 6.950 7.262 1.00 0.00 N ATOM 1008 CA HIS A 72 4.453 7.614 6.978 1.00 0.00 C ATOM 1009 C HIS A 72 3.332 6.575 6.899 1.00 0.00 C ATOM 1010 O HIS A 72 2.154 6.928 6.870 1.00 0.00 O ATOM 1011 CB HIS A 72 4.560 8.467 5.712 1.00 0.00 C ATOM 1012 CG HIS A 72 5.494 9.646 5.844 1.00 0.00 C ATOM 1013 ND1 HIS A 72 5.131 10.934 5.490 1.00 0.00 N ATOM 1014 CD2 HIS A 72 6.779 9.719 6.295 1.00 0.00 C ATOM 1015 CE1 HIS A 72 6.159 11.737 5.721 1.00 0.00 C ATOM 1016 NE2 HIS A 72 7.180 10.982 6.219 1.00 0.00 N ATOM 0 H HIS A 72 6.287 6.754 6.441 1.00 0.00 H new ATOM 0 HA HIS A 72 4.209 8.300 7.789 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.900 7.838 4.890 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.567 8.831 5.446 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.370 8.889 6.653 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.184 12.802 5.546 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.100 11.331 6.489 1.00 0.00 H new ATOM 1023 N SER A 73 3.739 5.315 6.866 1.00 0.00 N ATOM 1024 CA SER A 73 2.785 4.221 6.792 1.00 0.00 C ATOM 1025 C SER A 73 1.656 4.441 7.802 1.00 0.00 C ATOM 1026 O SER A 73 0.486 4.238 7.485 1.00 0.00 O ATOM 1027 CB SER A 73 3.467 2.876 7.043 1.00 0.00 C ATOM 1028 OG SER A 73 3.063 2.295 8.281 1.00 0.00 O ATOM 0 H SER A 73 4.717 5.027 6.889 1.00 0.00 H new ATOM 0 HA SER A 73 2.365 4.202 5.786 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.231 2.192 6.228 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.548 3.012 7.042 1.00 0.00 H new ATOM 0 HG SER A 73 3.519 1.436 8.404 1.00 0.00 H new ATOM 1033 N HIS A 74 2.049 4.856 8.998 1.00 0.00 N ATOM 1034 CA HIS A 74 1.085 5.105 10.056 1.00 0.00 C ATOM 1035 C HIS A 74 -0.050 5.980 9.521 1.00 0.00 C ATOM 1036 O HIS A 74 -1.152 5.975 10.066 1.00 0.00 O ATOM 1037 CB HIS A 74 1.770 5.710 11.284 1.00 0.00 C ATOM 1038 CG HIS A 74 1.670 7.215 11.364 1.00 0.00 C ATOM 1039 ND1 HIS A 74 0.533 7.866 11.813 1.00 0.00 N ATOM 1040 CD2 HIS A 74 2.572 8.188 11.050 1.00 0.00 C ATOM 1041 CE1 HIS A 74 0.755 9.172 11.767 1.00 0.00 C ATOM 1042 NE2 HIS A 74 2.018 9.368 11.293 1.00 0.00 N ATOM 0 H HIS A 74 3.021 5.026 9.257 1.00 0.00 H new ATOM 0 HA HIS A 74 0.648 4.162 10.383 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.329 5.279 12.183 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.822 5.426 11.277 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.569 8.025 10.668 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.058 9.945 12.055 1.00 0.00 H new ATOM 0 HE2 HIS A 74 2.464 10.274 11.149 1.00 0.00 H new ATOM 1049 N ARG A 75 0.258 6.709 8.459 1.00 0.00 N ATOM 1050 CA ARG A 75 -0.722 7.587 7.843 1.00 0.00 C ATOM 1051 C ARG A 75 -1.368 6.900 6.637 1.00 0.00 C ATOM 1052 O ARG A 75 -2.569 7.034 6.412 1.00 0.00 O ATOM 1053 CB ARG A 75 -0.080 8.899 7.389 1.00 0.00 C ATOM 1054 CG ARG A 75 0.940 9.395 8.416 1.00 0.00 C ATOM 1055 CD ARG A 75 0.955 10.923 8.481 1.00 0.00 C ATOM 1056 NE ARG A 75 -0.312 11.418 9.065 1.00 0.00 N ATOM 1057 CZ ARG A 75 -0.687 12.704 9.066 1.00 0.00 C ATOM 1058 NH1 ARG A 75 0.106 13.634 8.517 1.00 0.00 N ATOM 1059 NH2 ARG A 75 -1.854 13.061 9.618 1.00 0.00 N ATOM 0 H ARG A 75 1.173 6.710 8.009 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.483 7.808 8.591 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.409 8.754 6.426 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.852 9.655 7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.699 8.988 9.398 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.933 9.029 8.154 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.799 11.261 9.083 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.090 11.336 7.481 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.939 10.737 9.494 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.996 13.363 8.098 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.180 14.613 8.518 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.457 12.354 10.038 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.139 14.040 9.619 1.00 0.00 H new ATOM 1070 N ILE A 76 -0.541 6.179 5.895 1.00 0.00 N ATOM 1071 CA ILE A 76 -1.015 5.470 4.719 1.00 0.00 C ATOM 1072 C ILE A 76 -2.370 4.829 5.026 1.00 0.00 C ATOM 1073 O ILE A 76 -2.504 4.092 6.002 1.00 0.00 O ATOM 1074 CB ILE A 76 0.039 4.474 4.231 1.00 0.00 C ATOM 1075 CG1 ILE A 76 1.316 5.197 3.795 1.00 0.00 C ATOM 1076 CG2 ILE A 76 -0.521 3.582 3.123 1.00 0.00 C ATOM 1077 CD1 ILE A 76 2.355 4.205 3.268 1.00 0.00 C ATOM 0 H ILE A 76 0.455 6.070 6.086 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.170 6.165 3.894 1.00 0.00 H new ATOM 0 HB ILE A 76 0.306 3.823 5.064 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.079 5.926 3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.731 5.750 4.638 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.249 2.884 2.794 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.378 3.025 3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.833 4.200 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.252 4.745 2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.608 3.492 4.053 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.946 3.671 2.410 1.00 0.00 H new ATOM 1088 N ARG A 77 -3.339 5.135 4.177 1.00 0.00 N ATOM 1089 CA ARG A 77 -4.679 4.599 4.347 1.00 0.00 C ATOM 1090 C ARG A 77 -5.302 4.287 2.984 1.00 0.00 C ATOM 1091 O ARG A 77 -5.374 5.156 2.117 1.00 0.00 O ATOM 1092 CB ARG A 77 -5.577 5.584 5.097 1.00 0.00 C ATOM 1093 CG ARG A 77 -5.310 5.533 6.603 1.00 0.00 C ATOM 1094 CD ARG A 77 -6.043 6.663 7.329 1.00 0.00 C ATOM 1095 NE ARG A 77 -5.983 6.447 8.791 1.00 0.00 N ATOM 1096 CZ ARG A 77 -6.758 5.578 9.455 1.00 0.00 C ATOM 1097 NH1 ARG A 77 -7.657 4.839 8.791 1.00 0.00 N ATOM 1098 NH2 ARG A 77 -6.635 5.449 10.783 1.00 0.00 N ATOM 0 H ARG A 77 -3.223 5.747 3.369 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.597 3.683 4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.403 6.594 4.727 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.623 5.349 4.901 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.633 4.571 7.001 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.239 5.611 6.789 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.591 7.622 7.076 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.082 6.703 7.001 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.310 6.994 9.328 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.752 4.938 7.780 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.247 4.178 9.296 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.951 6.012 11.289 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.225 4.788 11.288 1.00 0.00 H new ATOM 1109 N PHE A 78 -5.738 3.044 2.839 1.00 0.00 N ATOM 1110 CA PHE A 78 -6.352 2.607 1.596 1.00 0.00 C ATOM 1111 C PHE A 78 -7.845 2.941 1.576 1.00 0.00 C ATOM 1112 O PHE A 78 -8.527 2.811 2.592 1.00 0.00 O ATOM 1113 CB PHE A 78 -6.179 1.089 1.522 1.00 0.00 C ATOM 1114 CG PHE A 78 -4.842 0.643 0.928 1.00 0.00 C ATOM 1115 CD1 PHE A 78 -3.676 1.088 1.468 1.00 0.00 C ATOM 1116 CD2 PHE A 78 -4.819 -0.198 -0.141 1.00 0.00 C ATOM 1117 CE1 PHE A 78 -2.435 0.674 0.916 1.00 0.00 C ATOM 1118 CE2 PHE A 78 -3.577 -0.612 -0.692 1.00 0.00 C ATOM 1119 CZ PHE A 78 -2.412 -0.167 -0.152 1.00 0.00 C ATOM 0 H PHE A 78 -5.678 2.326 3.561 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.883 3.111 0.751 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.276 0.673 2.525 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.988 0.670 0.924 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.694 1.756 2.316 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.745 -0.551 -0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.509 1.027 1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.558 -1.280 -1.540 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.468 -0.481 -0.571 1.00 0.00 H new ATOM 1128 N LYS A 79 -8.309 3.362 0.410 1.00 0.00 N ATOM 1129 CA LYS A 79 -9.709 3.716 0.244 1.00 0.00 C ATOM 1130 C LYS A 79 -10.269 3.001 -0.987 1.00 0.00 C ATOM 1131 O LYS A 79 -9.827 3.249 -2.108 1.00 0.00 O ATOM 1132 CB LYS A 79 -9.877 5.236 0.202 1.00 0.00 C ATOM 1133 CG LYS A 79 -10.159 5.795 1.598 1.00 0.00 C ATOM 1134 CD LYS A 79 -11.664 5.870 1.865 1.00 0.00 C ATOM 1135 CE LYS A 79 -12.240 7.204 1.388 1.00 0.00 C ATOM 1136 NZ LYS A 79 -11.938 8.276 2.362 1.00 0.00 N ATOM 0 H LYS A 79 -7.740 3.466 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.291 3.378 1.102 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.974 5.694 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.695 5.497 -0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.684 5.164 2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.719 6.788 1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.169 5.049 1.355 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.854 5.748 2.931 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.822 7.460 0.415 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.319 7.116 1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.448 9.142 2.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.238 7.977 3.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.915 8.464 2.365 1.00 0.00 H new ATOM 1146 N LEU A 80 -11.233 2.126 -0.738 1.00 0.00 N ATOM 1147 CA LEU A 80 -11.856 1.373 -1.812 1.00 0.00 C ATOM 1148 C LEU A 80 -13.068 2.148 -2.335 1.00 0.00 C ATOM 1149 O LEU A 80 -13.617 2.996 -1.633 1.00 0.00 O ATOM 1150 CB LEU A 80 -12.189 -0.047 -1.348 1.00 0.00 C ATOM 1151 CG LEU A 80 -11.030 -1.046 -1.364 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -11.501 -2.438 -0.940 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -10.343 -1.066 -2.732 1.00 0.00 C ATOM 0 H LEU A 80 -11.597 1.922 0.193 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.165 1.257 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.583 0.006 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.987 -0.437 -1.979 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.288 -0.721 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.658 -3.129 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.909 -2.392 0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.272 -2.786 -1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.523 -1.784 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.064 -1.355 -3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.952 -0.074 -2.958 1.00 0.00 H new ATOM 1164 N LYS A 81 -13.447 1.830 -3.563 1.00 0.00 N ATOM 1165 CA LYS A 81 -14.584 2.486 -4.189 1.00 0.00 C ATOM 1166 C LYS A 81 -15.878 1.848 -3.682 1.00 0.00 C ATOM 1167 O LYS A 81 -16.448 2.296 -2.689 1.00 0.00 O ATOM 1168 CB LYS A 81 -14.442 2.465 -5.713 1.00 0.00 C ATOM 1169 CG LYS A 81 -15.772 2.801 -6.391 1.00 0.00 C ATOM 1170 CD LYS A 81 -15.596 3.924 -7.415 1.00 0.00 C ATOM 1171 CE LYS A 81 -16.650 3.827 -8.521 1.00 0.00 C ATOM 1172 NZ LYS A 81 -17.514 5.028 -8.519 1.00 0.00 N ATOM 0 H LYS A 81 -12.988 1.127 -4.142 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.618 3.539 -3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.681 3.182 -6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.103 1.481 -6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.168 1.913 -6.884 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.502 3.100 -5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.674 4.891 -6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.599 3.870 -7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.161 3.725 -9.490 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.258 2.934 -8.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -18.224 4.946 -9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.995 5.108 -7.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.932 5.875 -8.680 1.00 0.00 H new ATOM 1182 N ARG A 82 -16.305 0.811 -4.388 1.00 0.00 N ATOM 1183 CA ARG A 82 -17.522 0.106 -4.022 1.00 0.00 C ATOM 1184 C ARG A 82 -17.572 -0.116 -2.509 1.00 0.00 C ATOM 1185 O ARG A 82 -16.571 0.070 -1.817 1.00 0.00 O ATOM 1186 CB ARG A 82 -17.611 -1.245 -4.733 1.00 0.00 C ATOM 1187 CG ARG A 82 -18.633 -1.200 -5.870 1.00 0.00 C ATOM 1188 CD ARG A 82 -18.298 -2.232 -6.950 1.00 0.00 C ATOM 1189 NE ARG A 82 -19.154 -3.429 -6.789 1.00 0.00 N ATOM 1190 CZ ARG A 82 -18.866 -4.454 -5.975 1.00 0.00 C ATOM 1191 NH1 ARG A 82 -17.744 -4.435 -5.243 1.00 0.00 N ATOM 1192 NH2 ARG A 82 -19.701 -5.499 -5.893 1.00 0.00 N ATOM 0 H ARG A 82 -15.830 0.442 -5.212 1.00 0.00 H new ATOM 0 HA ARG A 82 -18.367 0.721 -4.330 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.633 -1.516 -5.129 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -17.891 -2.019 -4.018 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -19.630 -1.392 -5.475 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.651 -0.202 -6.308 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.448 -1.798 -7.939 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.247 -2.514 -6.882 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.017 -3.477 -7.331 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.108 -3.640 -5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.526 -5.216 -4.624 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -20.555 -5.514 -6.450 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -19.482 -6.279 -5.274 1.00 0.00 H new ATOM 1203 N PRO A 83 -18.778 -0.521 -2.027 1.00 0.00 N ATOM 1204 CA PRO A 83 -18.971 -0.772 -0.609 1.00 0.00 C ATOM 1205 C PRO A 83 -18.320 -2.092 -0.192 1.00 0.00 C ATOM 1206 O PRO A 83 -18.713 -3.157 -0.665 1.00 0.00 O ATOM 1207 CB PRO A 83 -20.477 -0.761 -0.409 1.00 0.00 C ATOM 1208 CG PRO A 83 -21.082 -0.970 -1.789 1.00 0.00 C ATOM 1209 CD PRO A 83 -19.983 -0.752 -2.817 1.00 0.00 C ATOM 0 HA PRO A 83 -18.495 -0.020 0.020 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -20.786 -1.550 0.277 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -20.807 0.184 0.023 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -21.493 -1.976 -1.877 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -21.904 -0.274 -1.955 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -19.870 -1.620 -3.467 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -20.205 0.100 -3.459 1.00 0.00 H new ATOM 1214 N SER A 84 -17.339 -1.979 0.691 1.00 0.00 N ATOM 1215 CA SER A 84 -16.631 -3.151 1.177 1.00 0.00 C ATOM 1216 C SER A 84 -15.583 -2.736 2.212 1.00 0.00 C ATOM 1217 O SER A 84 -14.597 -2.083 1.875 1.00 0.00 O ATOM 1218 CB SER A 84 -15.970 -3.912 0.027 1.00 0.00 C ATOM 1219 OG SER A 84 -15.160 -3.061 -0.781 1.00 0.00 O ATOM 0 H SER A 84 -17.018 -1.094 1.083 1.00 0.00 H new ATOM 0 HA SER A 84 -17.354 -3.817 1.648 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.358 -4.719 0.431 1.00 0.00 H new ATOM 0 HB3 SER A 84 -16.739 -4.374 -0.591 1.00 0.00 H new ATOM 0 HG SER A 84 -14.679 -2.427 -0.209 1.00 0.00 H new ATOM 1224 N SER A 85 -15.832 -3.134 3.451 1.00 0.00 N ATOM 1225 CA SER A 85 -14.921 -2.813 4.537 1.00 0.00 C ATOM 1226 C SER A 85 -14.943 -3.927 5.585 1.00 0.00 C ATOM 1227 O SER A 85 -15.888 -4.714 5.640 1.00 0.00 O ATOM 1228 CB SER A 85 -15.283 -1.472 5.180 1.00 0.00 C ATOM 1229 OG SER A 85 -16.525 -1.530 5.874 1.00 0.00 O ATOM 0 H SER A 85 -16.651 -3.676 3.727 1.00 0.00 H new ATOM 0 HA SER A 85 -13.915 -2.729 4.127 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.494 -1.178 5.873 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.334 -0.703 4.409 1.00 0.00 H new ATOM 0 HG SER A 85 -16.719 -0.655 6.271 1.00 0.00 H new ATOM 1234 N GLY A 86 -13.893 -3.958 6.392 1.00 0.00 N ATOM 1235 CA GLY A 86 -13.779 -4.962 7.436 1.00 0.00 C ATOM 1236 C GLY A 86 -13.012 -4.416 8.642 1.00 0.00 C ATOM 1237 O GLY A 86 -12.980 -3.208 8.866 1.00 0.00 O ATOM 0 H GLY A 86 -13.113 -3.303 6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.773 -5.282 7.748 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.269 -5.842 7.045 1.00 0.00 H new ATOM 1241 N PRO A 87 -12.396 -5.358 9.405 1.00 0.00 N ATOM 1242 CA PRO A 87 -11.631 -4.985 10.582 1.00 0.00 C ATOM 1243 C PRO A 87 -10.284 -4.373 10.189 1.00 0.00 C ATOM 1244 O PRO A 87 -9.971 -4.262 9.004 1.00 0.00 O ATOM 1245 CB PRO A 87 -11.489 -6.268 11.383 1.00 0.00 C ATOM 1246 CG PRO A 87 -11.774 -7.401 10.411 1.00 0.00 C ATOM 1247 CD PRO A 87 -12.412 -6.800 9.170 1.00 0.00 C ATOM 0 HA PRO A 87 -12.122 -4.214 11.175 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.487 -6.357 11.803 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -12.188 -6.286 12.219 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -10.853 -7.923 10.152 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -12.439 -8.135 10.865 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -11.853 -7.061 8.272 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -13.429 -7.167 9.030 1.00 0.00 H new ATOM 1252 N SER A 88 -9.525 -3.992 11.206 1.00 0.00 N ATOM 1253 CA SER A 88 -8.219 -3.394 10.981 1.00 0.00 C ATOM 1254 C SER A 88 -7.426 -3.361 12.289 1.00 0.00 C ATOM 1255 O SER A 88 -8.006 -3.239 13.367 1.00 0.00 O ATOM 1256 CB SER A 88 -8.351 -1.983 10.404 1.00 0.00 C ATOM 1257 OG SER A 88 -8.565 -2.000 8.995 1.00 0.00 O ATOM 0 H SER A 88 -9.789 -4.085 12.187 1.00 0.00 H new ATOM 0 HA SER A 88 -7.684 -4.005 10.255 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.180 -1.469 10.890 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.448 -1.414 10.627 1.00 0.00 H new ATOM 0 HG SER A 88 -8.857 -2.894 8.719 1.00 0.00 H new ATOM 1262 N SER A 89 -6.113 -3.474 12.151 1.00 0.00 N ATOM 1263 CA SER A 89 -5.236 -3.458 13.310 1.00 0.00 C ATOM 1264 C SER A 89 -4.075 -2.491 13.072 1.00 0.00 C ATOM 1265 O SER A 89 -3.053 -2.869 12.501 1.00 0.00 O ATOM 1266 CB SER A 89 -4.704 -4.860 13.616 1.00 0.00 C ATOM 1267 OG SER A 89 -5.677 -5.667 14.274 1.00 0.00 O ATOM 0 H SER A 89 -5.636 -3.577 11.256 1.00 0.00 H new ATOM 0 HA SER A 89 -5.812 -3.121 14.172 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.400 -5.343 12.688 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.814 -4.782 14.241 1.00 0.00 H new ATOM 0 HG SER A 89 -5.301 -6.554 14.451 1.00 0.00 H new ATOM 1272 N GLY A 90 -4.270 -1.260 13.524 1.00 0.00 N ATOM 1273 CA GLY A 90 -3.252 -0.235 13.369 1.00 0.00 C ATOM 1274 C GLY A 90 -2.169 -0.371 14.441 1.00 0.00 C ATOM 1275 O GLY A 90 -1.323 0.509 14.588 1.00 0.00 O ATOM 0 H GLY A 90 -5.118 -0.950 13.998 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.801 -0.312 12.380 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.711 0.751 13.434 1.00 0.00 H new TER 1279 GLY A 90