USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 688 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 SER OG : rot -85:sc= 0.0257 USER MOD Set 1.2: A 77 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0.00569 USER MOD Set 2.2: A 47 ASN : amide:sc= -0.981! C(o=-1.1!,f=-7.5!) USER MOD Set 2.3: A 49 THR OG1 : rot 180:sc= -0.145 USER MOD Set 3.1: A 35 ASN : amide:sc= 0.89 K(o=2.6,f=-3!) USER MOD Set 3.2: A 42 GLN : amide:sc= 1.69 K(o=2.6,f=-0.14) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0258 (180deg=0) USER MOD Single : A 2 SER OG : rot -95:sc= 0.367 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 36:sc= 0.228 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0162 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -4.25! C(o=-4.9!,f=-4.2!) USER MOD Single : A 22 GLN : amide:sc= 0.0595 K(o=0.06,f=-0.98) USER MOD Single : A 32 GLN : amide:sc= -0.0096 K(o=-0.0096,f=-1.4) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -71:sc= 0.0631 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0411 USER MOD Single : A 66 SER OG : rot 140:sc= 0.839 USER MOD Single : A 69 TYR OH : rot -31:sc= 0.865 USER MOD Single : A 73 THR OG1 : rot 17:sc= 0.227! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0.047 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 82 THR OG1 : rot 89:sc= 1.36 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0695 X(o=-0.069,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc=-0.00262 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.525 15.963 -7.314 1.00 0.00 N ATOM 2 CA GLY A 1 9.599 16.504 -8.126 1.00 0.00 C ATOM 3 C GLY A 1 10.912 16.585 -7.372 1.00 0.00 C ATOM 4 O GLY A 1 10.926 16.738 -6.151 1.00 0.00 O ATOM 0 H1 GLY A 1 8.237 15.038 -7.691 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.854 15.850 -6.334 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.713 16.613 -7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.730 15.882 -9.011 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.321 17.499 -8.474 1.00 0.00 H new ATOM 8 N SER A 2 12.019 16.479 -8.101 1.00 0.00 N ATOM 9 CA SER A 2 13.343 16.536 -7.494 1.00 0.00 C ATOM 10 C SER A 2 14.170 17.668 -8.096 1.00 0.00 C ATOM 11 O SER A 2 14.855 17.483 -9.101 1.00 0.00 O ATOM 12 CB SER A 2 14.070 15.202 -7.680 1.00 0.00 C ATOM 13 OG SER A 2 13.690 14.270 -6.683 1.00 0.00 O ATOM 0 H SER A 2 12.024 16.353 -9.113 1.00 0.00 H new ATOM 0 HA SER A 2 13.219 16.729 -6.428 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.845 14.796 -8.666 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.147 15.363 -7.640 1.00 0.00 H new ATOM 0 HG SER A 2 14.335 14.298 -5.946 1.00 0.00 H new ATOM 19 N SER A 3 14.099 18.840 -7.473 1.00 0.00 N ATOM 20 CA SER A 3 14.837 20.004 -7.949 1.00 0.00 C ATOM 21 C SER A 3 16.313 19.899 -7.580 1.00 0.00 C ATOM 22 O SER A 3 17.185 19.923 -8.448 1.00 0.00 O ATOM 23 CB SER A 3 14.243 21.286 -7.361 1.00 0.00 C ATOM 24 OG SER A 3 12.842 21.339 -7.566 1.00 0.00 O ATOM 0 H SER A 3 13.538 19.009 -6.638 1.00 0.00 H new ATOM 0 HA SER A 3 14.753 20.038 -9.035 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.460 21.335 -6.294 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.714 22.154 -7.822 1.00 0.00 H new ATOM 0 HG SER A 3 12.486 22.166 -7.180 1.00 0.00 H new ATOM 30 N GLY A 4 16.587 19.781 -6.284 1.00 0.00 N ATOM 31 CA GLY A 4 17.958 19.674 -5.822 1.00 0.00 C ATOM 32 C GLY A 4 18.116 18.662 -4.704 1.00 0.00 C ATOM 33 O GLY A 4 18.791 18.925 -3.709 1.00 0.00 O ATOM 0 H GLY A 4 15.883 19.758 -5.546 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.599 19.391 -6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.299 20.650 -5.475 1.00 0.00 H new ATOM 37 N SER A 5 17.491 17.500 -4.868 1.00 0.00 N ATOM 38 CA SER A 5 17.560 16.447 -3.862 1.00 0.00 C ATOM 39 C SER A 5 17.134 15.105 -4.450 1.00 0.00 C ATOM 40 O SER A 5 16.011 14.954 -4.931 1.00 0.00 O ATOM 41 CB SER A 5 16.674 16.796 -2.664 1.00 0.00 C ATOM 42 OG SER A 5 15.354 17.100 -3.079 1.00 0.00 O ATOM 0 H SER A 5 16.932 17.264 -5.688 1.00 0.00 H new ATOM 0 HA SER A 5 18.594 16.366 -3.528 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.656 15.960 -1.965 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.096 17.648 -2.131 1.00 0.00 H new ATOM 0 HG SER A 5 15.108 16.526 -3.834 1.00 0.00 H new ATOM 48 N SER A 6 18.039 14.133 -4.408 1.00 0.00 N ATOM 49 CA SER A 6 17.760 12.804 -4.940 1.00 0.00 C ATOM 50 C SER A 6 17.830 11.752 -3.837 1.00 0.00 C ATOM 51 O SER A 6 18.877 11.545 -3.226 1.00 0.00 O ATOM 52 CB SER A 6 18.750 12.459 -6.054 1.00 0.00 C ATOM 53 OG SER A 6 18.341 11.299 -6.758 1.00 0.00 O ATOM 0 H SER A 6 18.972 14.241 -4.011 1.00 0.00 H new ATOM 0 HA SER A 6 16.750 12.808 -5.350 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.832 13.298 -6.745 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.741 12.299 -5.628 1.00 0.00 H new ATOM 0 HG SER A 6 18.989 11.100 -7.466 1.00 0.00 H new ATOM 59 N GLY A 7 16.704 11.089 -3.588 1.00 0.00 N ATOM 60 CA GLY A 7 16.658 10.066 -2.560 1.00 0.00 C ATOM 61 C GLY A 7 15.354 10.078 -1.788 1.00 0.00 C ATOM 62 O GLY A 7 14.894 11.133 -1.350 1.00 0.00 O ATOM 0 H GLY A 7 15.824 11.242 -4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.796 9.087 -3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.487 10.213 -1.868 1.00 0.00 H new ATOM 66 N VAL A 8 14.755 8.903 -1.621 1.00 0.00 N ATOM 67 CA VAL A 8 13.496 8.783 -0.897 1.00 0.00 C ATOM 68 C VAL A 8 13.604 7.762 0.229 1.00 0.00 C ATOM 69 O VAL A 8 14.542 6.965 0.269 1.00 0.00 O ATOM 70 CB VAL A 8 12.345 8.375 -1.836 1.00 0.00 C ATOM 71 CG1 VAL A 8 12.011 9.507 -2.795 1.00 0.00 C ATOM 72 CG2 VAL A 8 12.704 7.108 -2.598 1.00 0.00 C ATOM 0 H VAL A 8 15.122 8.021 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 8 13.280 9.764 -0.474 1.00 0.00 H new ATOM 0 HB VAL A 8 11.461 8.171 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.196 9.200 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.709 10.387 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.889 9.746 -3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.880 6.834 -3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.601 7.283 -3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.889 6.299 -1.892 1.00 0.00 H new ATOM 82 N GLU A 9 12.639 7.790 1.143 1.00 0.00 N ATOM 83 CA GLU A 9 12.627 6.866 2.270 1.00 0.00 C ATOM 84 C GLU A 9 11.690 5.692 2.002 1.00 0.00 C ATOM 85 O GLU A 9 10.500 5.879 1.748 1.00 0.00 O ATOM 86 CB GLU A 9 12.201 7.591 3.548 1.00 0.00 C ATOM 87 CG GLU A 9 10.815 8.209 3.465 1.00 0.00 C ATOM 88 CD GLU A 9 10.664 9.427 4.355 1.00 0.00 C ATOM 89 OE1 GLU A 9 11.694 10.045 4.695 1.00 0.00 O ATOM 90 OE2 GLU A 9 9.515 9.761 4.712 1.00 0.00 O ATOM 0 H GLU A 9 11.856 8.443 1.125 1.00 0.00 H new ATOM 0 HA GLU A 9 13.638 6.479 2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.227 6.888 4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.926 8.374 3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.608 8.491 2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.072 7.463 3.747 1.00 0.00 H new ATOM 97 N VAL A 10 12.235 4.481 2.060 1.00 0.00 N ATOM 98 CA VAL A 10 11.449 3.276 1.824 1.00 0.00 C ATOM 99 C VAL A 10 11.319 2.447 3.097 1.00 0.00 C ATOM 100 O VAL A 10 12.159 1.595 3.382 1.00 0.00 O ATOM 101 CB VAL A 10 12.075 2.405 0.719 1.00 0.00 C ATOM 102 CG1 VAL A 10 11.451 1.018 0.714 1.00 0.00 C ATOM 103 CG2 VAL A 10 11.918 3.074 -0.639 1.00 0.00 C ATOM 0 H VAL A 10 13.218 4.309 2.269 1.00 0.00 H new ATOM 0 HA VAL A 10 10.459 3.601 1.503 1.00 0.00 H new ATOM 0 HB VAL A 10 13.140 2.297 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.906 0.417 -0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.620 0.540 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.379 1.102 0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.366 2.445 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.859 3.214 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.417 4.043 -0.627 1.00 0.00 H new ATOM 113 N GLU A 11 10.259 2.703 3.857 1.00 0.00 N ATOM 114 CA GLU A 11 10.019 1.979 5.100 1.00 0.00 C ATOM 115 C GLU A 11 9.879 0.482 4.840 1.00 0.00 C ATOM 116 O GLU A 11 9.008 0.052 4.084 1.00 0.00 O ATOM 117 CB GLU A 11 8.760 2.509 5.790 1.00 0.00 C ATOM 118 CG GLU A 11 8.787 2.363 7.302 1.00 0.00 C ATOM 119 CD GLU A 11 7.754 3.235 7.990 1.00 0.00 C ATOM 120 OE1 GLU A 11 6.674 3.452 7.402 1.00 0.00 O ATOM 121 OE2 GLU A 11 8.027 3.699 9.117 1.00 0.00 O ATOM 0 H GLU A 11 9.554 3.405 3.634 1.00 0.00 H new ATOM 0 HA GLU A 11 10.877 2.137 5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.633 3.562 5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.891 1.980 5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.611 1.320 7.566 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.780 2.622 7.671 1.00 0.00 H new ATOM 128 N SER A 12 10.743 -0.305 5.472 1.00 0.00 N ATOM 129 CA SER A 12 10.720 -1.754 5.306 1.00 0.00 C ATOM 130 C SER A 12 9.757 -2.399 6.299 1.00 0.00 C ATOM 131 O SER A 12 9.509 -1.862 7.378 1.00 0.00 O ATOM 132 CB SER A 12 12.124 -2.333 5.490 1.00 0.00 C ATOM 133 OG SER A 12 12.072 -3.725 5.751 1.00 0.00 O ATOM 0 H SER A 12 11.468 0.036 6.104 1.00 0.00 H new ATOM 0 HA SER A 12 10.375 -1.974 4.296 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.717 -2.150 4.594 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.626 -1.824 6.313 1.00 0.00 H new ATOM 0 HG SER A 12 12.982 -4.071 5.863 1.00 0.00 H new ATOM 139 N PHE A 13 9.219 -3.555 5.925 1.00 0.00 N ATOM 140 CA PHE A 13 8.283 -4.274 6.781 1.00 0.00 C ATOM 141 C PHE A 13 8.418 -5.782 6.589 1.00 0.00 C ATOM 142 O PHE A 13 8.879 -6.247 5.546 1.00 0.00 O ATOM 143 CB PHE A 13 6.847 -3.837 6.483 1.00 0.00 C ATOM 144 CG PHE A 13 6.460 -2.551 7.156 1.00 0.00 C ATOM 145 CD1 PHE A 13 6.795 -1.331 6.592 1.00 0.00 C ATOM 146 CD2 PHE A 13 5.760 -2.563 8.351 1.00 0.00 C ATOM 147 CE1 PHE A 13 6.441 -0.146 7.209 1.00 0.00 C ATOM 148 CE2 PHE A 13 5.402 -1.381 8.973 1.00 0.00 C ATOM 149 CZ PHE A 13 5.742 -0.171 8.400 1.00 0.00 C ATOM 0 H PHE A 13 9.415 -4.014 5.035 1.00 0.00 H new ATOM 0 HA PHE A 13 8.520 -4.035 7.818 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.726 -3.725 5.406 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.163 -4.624 6.800 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.339 -1.305 5.659 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.491 -3.506 8.802 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.711 0.799 6.760 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.857 -1.404 9.905 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.462 0.754 8.882 1.00 0.00 H new ATOM 159 N LEU A 14 8.013 -6.540 7.602 1.00 0.00 N ATOM 160 CA LEU A 14 8.089 -7.995 7.547 1.00 0.00 C ATOM 161 C LEU A 14 6.910 -8.630 8.277 1.00 0.00 C ATOM 162 O LEU A 14 6.635 -8.307 9.432 1.00 0.00 O ATOM 163 CB LEU A 14 9.404 -8.481 8.158 1.00 0.00 C ATOM 164 CG LEU A 14 9.710 -9.970 7.996 1.00 0.00 C ATOM 165 CD1 LEU A 14 8.648 -10.812 8.686 1.00 0.00 C ATOM 166 CD2 LEU A 14 9.810 -10.337 6.522 1.00 0.00 C ATOM 0 H LEU A 14 7.629 -6.171 8.472 1.00 0.00 H new ATOM 0 HA LEU A 14 8.049 -8.296 6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.220 -7.912 7.713 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.395 -8.246 9.222 1.00 0.00 H new ATOM 0 HG LEU A 14 10.671 -10.177 8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.883 -11.869 8.560 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.625 -10.570 9.748 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.674 -10.602 8.245 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.028 -11.401 6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.865 -10.114 6.027 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.609 -9.759 6.057 1.00 0.00 H new ATOM 178 N VAL A 15 6.217 -9.538 7.596 1.00 0.00 N ATOM 179 CA VAL A 15 5.070 -10.221 8.180 1.00 0.00 C ATOM 180 C VAL A 15 4.936 -11.638 7.633 1.00 0.00 C ATOM 181 O VAL A 15 5.787 -12.105 6.875 1.00 0.00 O ATOM 182 CB VAL A 15 3.762 -9.453 7.912 1.00 0.00 C ATOM 183 CG1 VAL A 15 3.808 -8.078 8.560 1.00 0.00 C ATOM 184 CG2 VAL A 15 3.510 -9.339 6.416 1.00 0.00 C ATOM 0 H VAL A 15 6.431 -9.817 6.639 1.00 0.00 H new ATOM 0 HA VAL A 15 5.243 -10.265 9.255 1.00 0.00 H new ATOM 0 HB VAL A 15 2.936 -10.009 8.355 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.876 -7.550 8.360 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.939 -8.187 9.637 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.642 -7.510 8.149 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.582 -8.794 6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.337 -8.805 5.947 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.430 -10.336 5.983 1.00 0.00 H new ATOM 194 N HIS A 16 3.862 -12.318 8.021 1.00 0.00 N ATOM 195 CA HIS A 16 3.615 -13.682 7.568 1.00 0.00 C ATOM 196 C HIS A 16 2.172 -13.848 7.104 1.00 0.00 C ATOM 197 O HIS A 16 1.328 -12.971 7.294 1.00 0.00 O ATOM 198 CB HIS A 16 3.920 -14.677 8.688 1.00 0.00 C ATOM 199 CG HIS A 16 2.699 -15.330 9.259 1.00 0.00 C ATOM 200 ND1 HIS A 16 1.496 -14.812 9.600 1.00 0.00 N flip ATOM 201 CD2 HIS A 16 2.629 -16.677 9.541 1.00 0.00 C flip ATOM 202 CE1 HIS A 16 0.728 -15.846 10.077 1.00 0.00 C flip ATOM 203 NE2 HIS A 16 1.435 -16.961 10.031 1.00 0.00 N flip ATOM 0 H HIS A 16 3.149 -11.947 8.648 1.00 0.00 H new ATOM 0 HA HIS A 16 4.275 -13.883 6.724 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.589 -15.448 8.305 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.453 -14.160 9.486 1.00 0.00 H new ATOM 0 HD2 HIS A 16 3.426 -17.389 9.386 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.288 -15.761 10.432 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.114 -17.884 10.324 1.00 0.00 H new ATOM 212 N PRO A 17 1.879 -14.998 6.478 1.00 0.00 N ATOM 213 CA PRO A 17 0.537 -15.305 5.973 1.00 0.00 C ATOM 214 C PRO A 17 -0.464 -15.548 7.098 1.00 0.00 C ATOM 215 O PRO A 17 -0.573 -16.658 7.616 1.00 0.00 O ATOM 216 CB PRO A 17 0.749 -16.584 5.160 1.00 0.00 C ATOM 217 CG PRO A 17 1.957 -17.218 5.759 1.00 0.00 C ATOM 218 CD PRO A 17 2.835 -16.087 6.216 1.00 0.00 C ATOM 0 HA PRO A 17 0.120 -14.480 5.395 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.117 -17.243 5.225 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.901 -16.361 4.104 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.685 -17.863 6.595 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.473 -17.842 5.029 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.398 -16.352 7.111 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.562 -15.809 5.453 1.00 0.00 H new ATOM 226 N GLY A 18 -1.194 -14.501 7.470 1.00 0.00 N ATOM 227 CA GLY A 18 -2.177 -14.621 8.531 1.00 0.00 C ATOM 228 C GLY A 18 -2.114 -13.469 9.514 1.00 0.00 C ATOM 229 O GLY A 18 -3.012 -13.298 10.338 1.00 0.00 O ATOM 0 H GLY A 18 -1.122 -13.572 7.056 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.175 -14.667 8.094 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.019 -15.558 9.064 1.00 0.00 H new ATOM 233 N ASP A 19 -1.050 -12.678 9.428 1.00 0.00 N ATOM 234 CA ASP A 19 -0.873 -11.536 10.317 1.00 0.00 C ATOM 235 C ASP A 19 -1.651 -10.326 9.809 1.00 0.00 C ATOM 236 O ASP A 19 -2.408 -10.422 8.842 1.00 0.00 O ATOM 237 CB ASP A 19 0.611 -11.188 10.446 1.00 0.00 C ATOM 238 CG ASP A 19 1.286 -11.940 11.575 1.00 0.00 C ATOM 239 OD1 ASP A 19 0.726 -12.960 12.028 1.00 0.00 O ATOM 240 OD2 ASP A 19 2.377 -11.510 12.005 1.00 0.00 O ATOM 0 H ASP A 19 -0.297 -12.807 8.752 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.261 -11.808 11.299 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.117 -11.416 9.508 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.717 -10.116 10.613 1.00 0.00 H new ATOM 245 N LEU A 20 -1.459 -9.188 10.467 1.00 0.00 N ATOM 246 CA LEU A 20 -2.143 -7.958 10.083 1.00 0.00 C ATOM 247 C LEU A 20 -1.156 -6.937 9.525 1.00 0.00 C ATOM 248 O LEU A 20 -0.341 -6.379 10.261 1.00 0.00 O ATOM 249 CB LEU A 20 -2.882 -7.365 11.284 1.00 0.00 C ATOM 250 CG LEU A 20 -3.689 -6.094 11.016 1.00 0.00 C ATOM 251 CD1 LEU A 20 -4.876 -6.395 10.116 1.00 0.00 C ATOM 252 CD2 LEU A 20 -4.153 -5.471 12.324 1.00 0.00 C ATOM 0 H LEU A 20 -0.836 -9.091 11.269 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.865 -8.202 9.304 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.557 -8.123 11.680 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.152 -7.150 12.064 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.045 -5.379 10.505 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.438 -5.479 9.937 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.520 -6.794 9.166 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.522 -7.128 10.599 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.726 -4.568 12.114 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.780 -6.181 12.863 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.286 -5.217 12.934 1.00 0.00 H new ATOM 264 N LEU A 21 -1.237 -6.696 8.221 1.00 0.00 N ATOM 265 CA LEU A 21 -0.352 -5.740 7.564 1.00 0.00 C ATOM 266 C LEU A 21 -0.874 -4.316 7.724 1.00 0.00 C ATOM 267 O LEU A 21 -1.835 -3.920 7.065 1.00 0.00 O ATOM 268 CB LEU A 21 -0.213 -6.081 6.079 1.00 0.00 C ATOM 269 CG LEU A 21 0.665 -5.140 5.254 1.00 0.00 C ATOM 270 CD1 LEU A 21 2.111 -5.214 5.719 1.00 0.00 C ATOM 271 CD2 LEU A 21 0.561 -5.476 3.773 1.00 0.00 C ATOM 0 H LEU A 21 -1.906 -7.149 7.598 1.00 0.00 H new ATOM 0 HA LEU A 21 0.627 -5.803 8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.191 -7.090 5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.209 -6.098 5.636 1.00 0.00 H new ATOM 0 HG LEU A 21 0.310 -4.120 5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.721 -4.537 5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.171 -4.924 6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.479 -6.233 5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.192 -4.796 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.890 -6.502 3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.474 -5.370 3.448 1.00 0.00 H new ATOM 283 N GLN A 22 -0.232 -3.551 8.601 1.00 0.00 N ATOM 284 CA GLN A 22 -0.632 -2.170 8.846 1.00 0.00 C ATOM 285 C GLN A 22 0.419 -1.198 8.320 1.00 0.00 C ATOM 286 O GLN A 22 1.611 -1.349 8.592 1.00 0.00 O ATOM 287 CB GLN A 22 -0.855 -1.939 10.341 1.00 0.00 C ATOM 288 CG GLN A 22 -2.260 -2.284 10.807 1.00 0.00 C ATOM 289 CD GLN A 22 -2.436 -2.116 12.304 1.00 0.00 C ATOM 290 OE1 GLN A 22 -1.468 -1.902 13.034 1.00 0.00 O ATOM 291 NE2 GLN A 22 -3.676 -2.212 12.768 1.00 0.00 N ATOM 0 H GLN A 22 0.567 -3.864 9.153 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.566 -1.989 8.315 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.138 -2.537 10.903 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.651 -0.894 10.573 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.977 -1.649 10.287 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.488 -3.314 10.531 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.448 -2.390 12.126 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.856 -2.107 13.766 1.00 0.00 H new ATOM 300 N LEU A 23 -0.029 -0.201 7.565 1.00 0.00 N ATOM 301 CA LEU A 23 0.873 0.796 7.000 1.00 0.00 C ATOM 302 C LEU A 23 0.428 2.207 7.373 1.00 0.00 C ATOM 303 O LEU A 23 -0.675 2.405 7.883 1.00 0.00 O ATOM 304 CB LEU A 23 0.934 0.654 5.478 1.00 0.00 C ATOM 305 CG LEU A 23 1.507 -0.662 4.949 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.405 -0.717 3.433 1.00 0.00 C ATOM 307 CD2 LEU A 23 2.953 -0.831 5.395 1.00 0.00 C ATOM 0 H LEU A 23 -1.012 -0.062 7.330 1.00 0.00 H new ATOM 0 HA LEU A 23 1.867 0.627 7.415 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.074 0.774 5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.532 1.474 5.080 1.00 0.00 H new ATOM 0 HG LEU A 23 0.922 -1.484 5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.817 -1.660 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.359 -0.642 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.965 0.112 3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.345 -1.772 5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.551 -0.005 5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.000 -0.837 6.484 1.00 0.00 H new ATOM 319 N ARG A 24 1.291 3.183 7.112 1.00 0.00 N ATOM 320 CA ARG A 24 0.986 4.575 7.419 1.00 0.00 C ATOM 321 C ARG A 24 1.640 5.511 6.406 1.00 0.00 C ATOM 322 O ARG A 24 2.748 5.255 5.934 1.00 0.00 O ATOM 323 CB ARG A 24 1.459 4.923 8.831 1.00 0.00 C ATOM 324 CG ARG A 24 0.675 6.056 9.474 1.00 0.00 C ATOM 325 CD ARG A 24 1.330 6.524 10.764 1.00 0.00 C ATOM 326 NE ARG A 24 0.879 7.858 11.154 1.00 0.00 N ATOM 327 CZ ARG A 24 0.963 8.329 12.393 1.00 0.00 C ATOM 328 NH1 ARG A 24 1.478 7.579 13.357 1.00 0.00 N ATOM 329 NH2 ARG A 24 0.531 9.552 12.670 1.00 0.00 N ATOM 0 H ARG A 24 2.207 3.035 6.689 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.095 4.705 7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.381 4.036 9.460 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.513 5.197 8.795 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.603 6.891 8.777 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.343 5.724 9.681 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.104 5.817 11.562 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.413 6.529 10.640 1.00 0.00 H new ATOM 0 HE ARG A 24 0.478 8.460 10.435 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.811 6.638 13.148 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.541 7.943 14.308 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.134 10.132 11.931 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.596 9.912 13.622 1.00 0.00 H new ATOM 343 N CYS A 25 0.947 6.596 6.078 1.00 0.00 N ATOM 344 CA CYS A 25 1.458 7.570 5.121 1.00 0.00 C ATOM 345 C CYS A 25 1.681 8.923 5.790 1.00 0.00 C ATOM 346 O CYS A 25 0.735 9.563 6.249 1.00 0.00 O ATOM 347 CB CYS A 25 0.488 7.721 3.948 1.00 0.00 C ATOM 348 SG CYS A 25 0.953 9.024 2.763 1.00 0.00 S ATOM 0 H CYS A 25 0.029 6.823 6.461 1.00 0.00 H new ATOM 0 HA CYS A 25 2.415 7.208 4.747 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.423 6.770 3.419 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.507 7.937 4.338 1.00 0.00 H new ATOM 353 N ARG A 26 2.938 9.353 5.840 1.00 0.00 N ATOM 354 CA ARG A 26 3.285 10.629 6.452 1.00 0.00 C ATOM 355 C ARG A 26 2.572 11.781 5.750 1.00 0.00 C ATOM 356 O ARG A 26 2.873 12.102 4.599 1.00 0.00 O ATOM 357 CB ARG A 26 4.798 10.847 6.405 1.00 0.00 C ATOM 358 CG ARG A 26 5.547 10.174 7.543 1.00 0.00 C ATOM 359 CD ARG A 26 7.043 10.433 7.458 1.00 0.00 C ATOM 360 NE ARG A 26 7.416 11.695 8.090 1.00 0.00 N ATOM 361 CZ ARG A 26 7.473 11.870 9.406 1.00 0.00 C ATOM 362 NH1 ARG A 26 7.182 10.868 10.224 1.00 0.00 N ATOM 363 NH2 ARG A 26 7.821 13.049 9.906 1.00 0.00 N ATOM 0 H ARG A 26 3.733 8.836 5.464 1.00 0.00 H new ATOM 0 HA ARG A 26 2.961 10.604 7.492 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.181 10.471 5.457 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.003 11.917 6.429 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.167 10.541 8.497 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.361 9.100 7.517 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.580 9.615 7.937 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.350 10.447 6.412 1.00 0.00 H new ATOM 0 HE ARG A 26 7.645 12.486 7.488 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.914 9.960 9.843 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.226 11.005 11.234 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.045 13.822 9.280 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.864 13.182 10.916 1.00 0.00 H new ATOM 377 N LEU A 27 1.627 12.399 6.449 1.00 0.00 N ATOM 378 CA LEU A 27 0.870 13.516 5.893 1.00 0.00 C ATOM 379 C LEU A 27 1.425 14.848 6.385 1.00 0.00 C ATOM 380 O LEU A 27 2.338 14.885 7.211 1.00 0.00 O ATOM 381 CB LEU A 27 -0.607 13.395 6.270 1.00 0.00 C ATOM 382 CG LEU A 27 -1.348 12.182 5.705 1.00 0.00 C ATOM 383 CD1 LEU A 27 -2.845 12.318 5.932 1.00 0.00 C ATOM 384 CD2 LEU A 27 -1.044 12.015 4.223 1.00 0.00 C ATOM 0 H LEU A 27 1.366 12.146 7.402 1.00 0.00 H new ATOM 0 HA LEU A 27 0.965 13.483 4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.683 13.368 7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.121 14.297 5.937 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.002 11.291 6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.356 11.446 5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.046 12.389 7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.208 13.217 5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.579 11.147 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.362 12.907 3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.028 11.871 4.085 1.00 0.00 H new ATOM 396 N ARG A 28 0.867 15.941 5.874 1.00 0.00 N ATOM 397 CA ARG A 28 1.306 17.276 6.262 1.00 0.00 C ATOM 398 C ARG A 28 0.112 18.160 6.612 1.00 0.00 C ATOM 399 O ARG A 28 -1.040 17.743 6.487 1.00 0.00 O ATOM 400 CB ARG A 28 2.115 17.918 5.134 1.00 0.00 C ATOM 401 CG ARG A 28 2.856 16.913 4.267 1.00 0.00 C ATOM 402 CD ARG A 28 3.458 17.574 3.038 1.00 0.00 C ATOM 403 NE ARG A 28 4.403 18.630 3.392 1.00 0.00 N ATOM 404 CZ ARG A 28 5.640 18.397 3.817 1.00 0.00 C ATOM 405 NH1 ARG A 28 6.079 17.152 3.938 1.00 0.00 N ATOM 406 NH2 ARG A 28 6.441 19.411 4.120 1.00 0.00 N ATOM 0 H ARG A 28 0.110 15.928 5.190 1.00 0.00 H new ATOM 0 HA ARG A 28 1.938 17.181 7.145 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.444 18.503 4.505 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.835 18.614 5.565 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.646 16.440 4.851 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.171 16.123 3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.965 16.822 2.433 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.660 17.992 2.424 1.00 0.00 H new ATOM 0 HE ARG A 28 4.096 19.599 3.308 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.467 16.370 3.705 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.029 16.976 4.264 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.107 20.370 4.027 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.391 19.231 4.446 1.00 0.00 H new ATOM 420 N ASP A 29 0.396 19.381 7.053 1.00 0.00 N ATOM 421 CA ASP A 29 -0.654 20.324 7.421 1.00 0.00 C ATOM 422 C ASP A 29 -1.295 20.935 6.179 1.00 0.00 C ATOM 423 O ASP A 29 -2.332 21.594 6.264 1.00 0.00 O ATOM 424 CB ASP A 29 -0.086 21.428 8.314 1.00 0.00 C ATOM 425 CG ASP A 29 -1.096 21.928 9.329 1.00 0.00 C ATOM 426 OD1 ASP A 29 -2.010 21.156 9.686 1.00 0.00 O ATOM 427 OD2 ASP A 29 -0.970 23.090 9.767 1.00 0.00 O ATOM 0 H ASP A 29 1.344 19.741 7.164 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.421 19.780 7.973 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.794 21.052 8.836 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.243 22.261 7.693 1.00 0.00 H new ATOM 432 N ASP A 30 -0.671 20.714 5.028 1.00 0.00 N ATOM 433 CA ASP A 30 -1.180 21.244 3.768 1.00 0.00 C ATOM 434 C ASP A 30 -1.865 20.149 2.956 1.00 0.00 C ATOM 435 O ASP A 30 -2.807 20.413 2.208 1.00 0.00 O ATOM 436 CB ASP A 30 -0.043 21.864 2.954 1.00 0.00 C ATOM 437 CG ASP A 30 0.804 22.817 3.775 1.00 0.00 C ATOM 438 OD1 ASP A 30 0.231 23.740 4.389 1.00 0.00 O ATOM 439 OD2 ASP A 30 2.040 22.639 3.802 1.00 0.00 O ATOM 0 H ASP A 30 0.188 20.171 4.941 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.915 22.016 3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.590 21.071 2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.460 22.397 2.100 1.00 0.00 H new ATOM 444 N VAL A 31 -1.385 18.919 3.107 1.00 0.00 N ATOM 445 CA VAL A 31 -1.951 17.784 2.387 1.00 0.00 C ATOM 446 C VAL A 31 -3.453 17.951 2.192 1.00 0.00 C ATOM 447 O VAL A 31 -4.154 18.436 3.079 1.00 0.00 O ATOM 448 CB VAL A 31 -1.685 16.460 3.129 1.00 0.00 C ATOM 449 CG1 VAL A 31 -2.696 15.403 2.714 1.00 0.00 C ATOM 450 CG2 VAL A 31 -0.264 15.982 2.872 1.00 0.00 C ATOM 0 H VAL A 31 -0.606 18.683 3.721 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.463 17.751 1.413 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.797 16.634 4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.492 14.475 3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.702 15.747 2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.620 15.228 1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.093 15.046 3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.121 15.824 1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.442 16.734 3.225 1.00 0.00 H new ATOM 460 N GLN A 32 -3.941 17.545 1.024 1.00 0.00 N ATOM 461 CA GLN A 32 -5.361 17.651 0.712 1.00 0.00 C ATOM 462 C GLN A 32 -5.966 16.274 0.453 1.00 0.00 C ATOM 463 O GLN A 32 -7.124 16.022 0.785 1.00 0.00 O ATOM 464 CB GLN A 32 -5.572 18.550 -0.508 1.00 0.00 C ATOM 465 CG GLN A 32 -5.179 19.999 -0.269 1.00 0.00 C ATOM 466 CD GLN A 32 -6.173 20.737 0.606 1.00 0.00 C ATOM 467 OE1 GLN A 32 -7.256 20.230 0.898 1.00 0.00 O ATOM 468 NE2 GLN A 32 -5.809 21.941 1.030 1.00 0.00 N ATOM 0 H GLN A 32 -3.374 17.140 0.279 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.863 18.094 1.572 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.992 18.158 -1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.621 18.510 -0.802 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.195 20.032 0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.094 20.511 -1.227 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.901 22.323 0.764 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.437 22.484 1.622 1.00 0.00 H new ATOM 477 N SER A 33 -5.173 15.388 -0.141 1.00 0.00 N ATOM 478 CA SER A 33 -5.632 14.038 -0.448 1.00 0.00 C ATOM 479 C SER A 33 -4.476 13.044 -0.381 1.00 0.00 C ATOM 480 O SER A 33 -3.331 13.422 -0.133 1.00 0.00 O ATOM 481 CB SER A 33 -6.274 13.998 -1.836 1.00 0.00 C ATOM 482 OG SER A 33 -7.262 12.984 -1.912 1.00 0.00 O ATOM 0 H SER A 33 -4.211 15.580 -0.419 1.00 0.00 H new ATOM 0 HA SER A 33 -6.376 13.755 0.297 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.723 14.965 -2.060 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.507 13.820 -2.590 1.00 0.00 H new ATOM 0 HG SER A 33 -7.658 12.980 -2.808 1.00 0.00 H new ATOM 488 N ILE A 34 -4.786 11.771 -0.603 1.00 0.00 N ATOM 489 CA ILE A 34 -3.774 10.722 -0.569 1.00 0.00 C ATOM 490 C ILE A 34 -4.014 9.691 -1.666 1.00 0.00 C ATOM 491 O ILE A 34 -5.155 9.330 -1.954 1.00 0.00 O ATOM 492 CB ILE A 34 -3.750 10.007 0.795 1.00 0.00 C ATOM 493 CG1 ILE A 34 -3.787 11.030 1.932 1.00 0.00 C ATOM 494 CG2 ILE A 34 -2.517 9.124 0.909 1.00 0.00 C ATOM 495 CD1 ILE A 34 -4.073 10.419 3.286 1.00 0.00 C ATOM 0 H ILE A 34 -5.729 11.441 -0.808 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.812 11.207 -0.733 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.634 9.374 0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.830 11.551 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.548 11.778 1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.515 8.626 1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.531 8.376 0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.621 9.737 0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.084 11.202 4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.043 9.922 3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.298 9.691 3.528 1.00 0.00 H new ATOM 507 N ASN A 35 -2.931 9.219 -2.275 1.00 0.00 N ATOM 508 CA ASN A 35 -3.023 8.228 -3.340 1.00 0.00 C ATOM 509 C ASN A 35 -2.188 6.995 -3.010 1.00 0.00 C ATOM 510 O ASN A 35 -0.959 7.032 -3.066 1.00 0.00 O ATOM 511 CB ASN A 35 -2.559 8.831 -4.668 1.00 0.00 C ATOM 512 CG ASN A 35 -3.213 8.167 -5.864 1.00 0.00 C ATOM 513 OD1 ASN A 35 -4.305 7.607 -5.758 1.00 0.00 O ATOM 514 ND2 ASN A 35 -2.547 8.227 -7.012 1.00 0.00 N ATOM 0 H ASN A 35 -1.979 9.507 -2.049 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.066 7.925 -3.431 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.786 9.897 -4.679 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.476 8.734 -4.749 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.938 7.799 -7.851 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.645 8.701 -7.054 1.00 0.00 H new ATOM 521 N TRP A 36 -2.864 5.904 -2.667 1.00 0.00 N ATOM 522 CA TRP A 36 -2.185 4.659 -2.328 1.00 0.00 C ATOM 523 C TRP A 36 -1.829 3.873 -3.585 1.00 0.00 C ATOM 524 O TRP A 36 -2.646 3.740 -4.498 1.00 0.00 O ATOM 525 CB TRP A 36 -3.064 3.807 -1.411 1.00 0.00 C ATOM 526 CG TRP A 36 -2.958 4.188 0.035 1.00 0.00 C ATOM 527 CD1 TRP A 36 -3.888 4.861 0.776 1.00 0.00 C ATOM 528 CD2 TRP A 36 -1.860 3.920 0.914 1.00 0.00 C ATOM 529 NE1 TRP A 36 -3.434 5.027 2.062 1.00 0.00 N ATOM 530 CE2 TRP A 36 -2.193 4.458 2.172 1.00 0.00 C ATOM 531 CE3 TRP A 36 -0.629 3.276 0.760 1.00 0.00 C ATOM 532 CZ2 TRP A 36 -1.338 4.372 3.268 1.00 0.00 C ATOM 533 CZ3 TRP A 36 0.218 3.192 1.849 1.00 0.00 C ATOM 534 CH2 TRP A 36 -0.139 3.736 3.089 1.00 0.00 C ATOM 0 H TRP A 36 -3.882 5.857 -2.616 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.262 4.909 -1.805 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.103 3.898 -1.728 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.787 2.759 -1.525 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.840 5.211 0.405 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.939 5.498 2.813 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.345 2.852 -0.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.611 4.792 4.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.172 2.698 1.742 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.545 3.652 3.921 1.00 0.00 H new ATOM 545 N LEU A 37 -0.607 3.355 -3.627 1.00 0.00 N ATOM 546 CA LEU A 37 -0.143 2.581 -4.774 1.00 0.00 C ATOM 547 C LEU A 37 0.602 1.329 -4.321 1.00 0.00 C ATOM 548 O LEU A 37 1.052 1.242 -3.179 1.00 0.00 O ATOM 549 CB LEU A 37 0.765 3.437 -5.658 1.00 0.00 C ATOM 550 CG LEU A 37 0.095 4.612 -6.370 1.00 0.00 C ATOM 551 CD1 LEU A 37 1.094 5.735 -6.605 1.00 0.00 C ATOM 552 CD2 LEU A 37 -0.519 4.158 -7.687 1.00 0.00 C ATOM 0 H LEU A 37 0.081 3.456 -2.881 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.015 2.273 -5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.576 3.826 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.218 2.792 -6.411 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.703 4.991 -5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.598 6.562 -7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.486 6.079 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.914 5.369 -7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.992 5.007 -8.180 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.261 3.752 -8.331 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.267 3.389 -7.494 1.00 0.00 H new ATOM 564 N ARG A 38 0.729 0.363 -5.225 1.00 0.00 N ATOM 565 CA ARG A 38 1.420 -0.884 -4.918 1.00 0.00 C ATOM 566 C ARG A 38 2.087 -1.456 -6.166 1.00 0.00 C ATOM 567 O ARG A 38 1.411 -1.867 -7.110 1.00 0.00 O ATOM 568 CB ARG A 38 0.441 -1.905 -4.336 1.00 0.00 C ATOM 569 CG ARG A 38 1.098 -3.211 -3.923 1.00 0.00 C ATOM 570 CD ARG A 38 0.249 -3.967 -2.912 1.00 0.00 C ATOM 571 NE ARG A 38 -0.755 -4.806 -3.560 1.00 0.00 N ATOM 572 CZ ARG A 38 -1.805 -5.317 -2.926 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.987 -5.075 -1.636 1.00 0.00 N ATOM 574 NH2 ARG A 38 -2.676 -6.072 -3.584 1.00 0.00 N ATOM 0 H ARG A 38 0.363 0.420 -6.175 1.00 0.00 H new ATOM 0 HA ARG A 38 2.192 -0.670 -4.179 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.055 -1.467 -3.469 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.333 -2.115 -5.074 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.258 -3.833 -4.803 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.079 -3.006 -3.495 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.893 -4.588 -2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.245 -3.256 -2.250 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.644 -5.011 -4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.320 -4.495 -1.127 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.794 -5.469 -1.152 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.540 -6.260 -4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.482 -6.464 -3.097 1.00 0.00 H new ATOM 588 N ASP A 39 3.415 -1.480 -6.163 1.00 0.00 N ATOM 589 CA ASP A 39 4.173 -2.002 -7.293 1.00 0.00 C ATOM 590 C ASP A 39 3.931 -1.163 -8.544 1.00 0.00 C ATOM 591 O ASP A 39 4.066 -1.650 -9.666 1.00 0.00 O ATOM 592 CB ASP A 39 3.793 -3.459 -7.560 1.00 0.00 C ATOM 593 CG ASP A 39 4.902 -4.231 -8.248 1.00 0.00 C ATOM 594 OD1 ASP A 39 5.531 -3.669 -9.169 1.00 0.00 O ATOM 595 OD2 ASP A 39 5.139 -5.396 -7.867 1.00 0.00 O ATOM 0 H ASP A 39 3.989 -1.144 -5.390 1.00 0.00 H new ATOM 0 HA ASP A 39 5.233 -1.951 -7.042 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.547 -3.946 -6.616 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.896 -3.490 -8.178 1.00 0.00 H new ATOM 600 N GLY A 40 3.571 0.101 -8.343 1.00 0.00 N ATOM 601 CA GLY A 40 3.314 0.987 -9.463 1.00 0.00 C ATOM 602 C GLY A 40 1.900 0.857 -9.993 1.00 0.00 C ATOM 603 O GLY A 40 1.681 0.847 -11.204 1.00 0.00 O ATOM 0 H GLY A 40 3.453 0.527 -7.424 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.490 2.018 -9.155 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.020 0.769 -10.264 1.00 0.00 H new ATOM 607 N VAL A 41 0.936 0.756 -9.083 1.00 0.00 N ATOM 608 CA VAL A 41 -0.465 0.625 -9.465 1.00 0.00 C ATOM 609 C VAL A 41 -1.387 1.024 -8.318 1.00 0.00 C ATOM 610 O VAL A 41 -1.093 0.761 -7.153 1.00 0.00 O ATOM 611 CB VAL A 41 -0.797 -0.815 -9.899 1.00 0.00 C ATOM 612 CG1 VAL A 41 -1.099 -1.682 -8.686 1.00 0.00 C ATOM 613 CG2 VAL A 41 -1.965 -0.822 -10.873 1.00 0.00 C ATOM 0 H VAL A 41 1.100 0.762 -8.076 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.627 1.297 -10.308 1.00 0.00 H new ATOM 0 HB VAL A 41 0.072 -1.232 -10.407 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.331 -2.696 -9.012 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.230 -1.703 -8.028 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.952 -1.270 -8.147 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.186 -1.848 -11.169 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.841 -0.386 -10.393 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.706 -0.237 -11.756 1.00 0.00 H new ATOM 623 N GLN A 42 -2.503 1.661 -8.658 1.00 0.00 N ATOM 624 CA GLN A 42 -3.468 2.096 -7.655 1.00 0.00 C ATOM 625 C GLN A 42 -3.838 0.949 -6.721 1.00 0.00 C ATOM 626 O GLN A 42 -4.198 -0.140 -7.170 1.00 0.00 O ATOM 627 CB GLN A 42 -4.726 2.644 -8.332 1.00 0.00 C ATOM 628 CG GLN A 42 -5.784 3.125 -7.352 1.00 0.00 C ATOM 629 CD GLN A 42 -5.621 4.587 -6.988 1.00 0.00 C ATOM 630 OE1 GLN A 42 -6.403 5.436 -7.417 1.00 0.00 O ATOM 631 NE2 GLN A 42 -4.602 4.890 -6.192 1.00 0.00 N ATOM 0 H GLN A 42 -2.761 1.887 -9.619 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.007 2.887 -7.063 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.446 3.470 -8.986 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.155 1.868 -8.965 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.772 2.970 -7.785 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.735 2.521 -6.446 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.978 4.155 -5.860 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.443 5.858 -5.913 1.00 0.00 H new ATOM 640 N LEU A 43 -3.747 1.200 -5.419 1.00 0.00 N ATOM 641 CA LEU A 43 -4.071 0.187 -4.420 1.00 0.00 C ATOM 642 C LEU A 43 -5.580 0.077 -4.227 1.00 0.00 C ATOM 643 O LEU A 43 -6.305 1.064 -4.348 1.00 0.00 O ATOM 644 CB LEU A 43 -3.398 0.523 -3.088 1.00 0.00 C ATOM 645 CG LEU A 43 -3.486 -0.550 -2.003 1.00 0.00 C ATOM 646 CD1 LEU A 43 -3.036 -1.898 -2.546 1.00 0.00 C ATOM 647 CD2 LEU A 43 -2.651 -0.155 -0.793 1.00 0.00 C ATOM 0 H LEU A 43 -3.452 2.096 -5.031 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.698 -0.773 -4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.346 0.733 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.842 1.440 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.526 -0.637 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.106 -2.649 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.676 -2.186 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.004 -1.826 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.726 -0.930 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.609 -0.039 -1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.020 0.788 -0.389 1.00 0.00 H new ATOM 659 N ALA A 44 -6.046 -1.130 -3.925 1.00 0.00 N ATOM 660 CA ALA A 44 -7.468 -1.368 -3.711 1.00 0.00 C ATOM 661 C ALA A 44 -7.715 -2.043 -2.366 1.00 0.00 C ATOM 662 O ALA A 44 -6.841 -2.727 -1.835 1.00 0.00 O ATOM 663 CB ALA A 44 -8.038 -2.214 -4.840 1.00 0.00 C ATOM 0 H ALA A 44 -5.460 -1.958 -3.823 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.975 -0.403 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.101 -2.384 -4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.903 -1.694 -5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.519 -3.172 -4.875 1.00 0.00 H new ATOM 669 N GLU A 45 -8.911 -1.844 -1.820 1.00 0.00 N ATOM 670 CA GLU A 45 -9.271 -2.432 -0.535 1.00 0.00 C ATOM 671 C GLU A 45 -10.138 -3.673 -0.729 1.00 0.00 C ATOM 672 O GLU A 45 -10.814 -3.818 -1.747 1.00 0.00 O ATOM 673 CB GLU A 45 -10.010 -1.410 0.330 1.00 0.00 C ATOM 674 CG GLU A 45 -9.565 0.024 0.093 1.00 0.00 C ATOM 675 CD GLU A 45 -10.589 1.038 0.564 1.00 0.00 C ATOM 676 OE1 GLU A 45 -11.157 0.844 1.659 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.823 2.026 -0.163 1.00 0.00 O ATOM 0 H GLU A 45 -9.646 -1.281 -2.247 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.352 -2.727 -0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.080 -1.487 0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.860 -1.659 1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.622 0.198 0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.376 0.171 -0.970 1.00 0.00 H new ATOM 684 N SER A 46 -10.112 -4.565 0.256 1.00 0.00 N ATOM 685 CA SER A 46 -10.892 -5.796 0.193 1.00 0.00 C ATOM 686 C SER A 46 -11.274 -6.269 1.592 1.00 0.00 C ATOM 687 O SER A 46 -10.945 -5.626 2.588 1.00 0.00 O ATOM 688 CB SER A 46 -10.102 -6.889 -0.529 1.00 0.00 C ATOM 689 OG SER A 46 -8.978 -7.294 0.233 1.00 0.00 O ATOM 0 H SER A 46 -9.560 -4.459 1.107 1.00 0.00 H new ATOM 0 HA SER A 46 -11.806 -5.590 -0.364 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.748 -7.747 -0.714 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.773 -6.522 -1.501 1.00 0.00 H new ATOM 0 HG SER A 46 -8.491 -7.994 -0.249 1.00 0.00 H new ATOM 695 N ASN A 47 -11.972 -7.398 1.658 1.00 0.00 N ATOM 696 CA ASN A 47 -12.400 -7.959 2.934 1.00 0.00 C ATOM 697 C ASN A 47 -11.281 -7.876 3.968 1.00 0.00 C ATOM 698 O ASN A 47 -11.534 -7.683 5.157 1.00 0.00 O ATOM 699 CB ASN A 47 -12.838 -9.414 2.755 1.00 0.00 C ATOM 700 CG ASN A 47 -11.826 -10.230 1.974 1.00 0.00 C ATOM 701 OD1 ASN A 47 -10.939 -9.679 1.322 1.00 0.00 O ATOM 702 ND2 ASN A 47 -11.956 -11.550 2.036 1.00 0.00 N ATOM 0 H ASN A 47 -12.253 -7.942 0.843 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.247 -7.374 3.293 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.989 -9.868 3.734 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -13.798 -9.441 2.240 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.305 -12.151 1.530 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -12.707 -11.963 2.589 1.00 0.00 H new ATOM 709 N ARG A 48 -10.044 -8.023 3.505 1.00 0.00 N ATOM 710 CA ARG A 48 -8.886 -7.965 4.389 1.00 0.00 C ATOM 711 C ARG A 48 -8.241 -6.583 4.351 1.00 0.00 C ATOM 712 O ARG A 48 -8.074 -5.934 5.385 1.00 0.00 O ATOM 713 CB ARG A 48 -7.861 -9.029 3.992 1.00 0.00 C ATOM 714 CG ARG A 48 -8.341 -10.453 4.221 1.00 0.00 C ATOM 715 CD ARG A 48 -7.437 -11.464 3.533 1.00 0.00 C ATOM 716 NE ARG A 48 -7.448 -11.307 2.081 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.888 -12.174 1.244 1.00 0.00 C ATOM 718 NH1 ARG A 48 -6.277 -13.253 1.713 1.00 0.00 N ATOM 719 NH2 ARG A 48 -6.940 -11.963 -0.065 1.00 0.00 N ATOM 0 H ARG A 48 -9.818 -8.183 2.523 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.227 -8.160 5.406 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.610 -8.904 2.939 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.944 -8.868 4.559 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.372 -10.660 5.291 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.359 -10.560 3.846 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.418 -11.350 3.902 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.759 -12.473 3.791 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.911 -10.487 1.688 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.236 -13.419 2.719 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.848 -13.917 1.068 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.410 -11.135 -0.430 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.510 -12.629 -0.706 1.00 0.00 H new ATOM 733 N THR A 49 -7.879 -6.137 3.152 1.00 0.00 N ATOM 734 CA THR A 49 -7.251 -4.834 2.979 1.00 0.00 C ATOM 735 C THR A 49 -8.214 -3.707 3.337 1.00 0.00 C ATOM 736 O THR A 49 -9.397 -3.760 3.002 1.00 0.00 O ATOM 737 CB THR A 49 -6.761 -4.634 1.532 1.00 0.00 C ATOM 738 OG1 THR A 49 -5.943 -5.740 1.135 1.00 0.00 O ATOM 739 CG2 THR A 49 -5.971 -3.341 1.402 1.00 0.00 C ATOM 0 H THR A 49 -8.010 -6.660 2.286 1.00 0.00 H new ATOM 0 HA THR A 49 -6.395 -4.805 3.653 1.00 0.00 H new ATOM 0 HB THR A 49 -7.633 -4.575 0.881 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.637 -5.606 0.214 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.636 -3.222 0.372 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.605 -2.498 1.677 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.106 -3.375 2.064 1.00 0.00 H new ATOM 747 N ARG A 50 -7.699 -2.689 4.018 1.00 0.00 N ATOM 748 CA ARG A 50 -8.515 -1.550 4.422 1.00 0.00 C ATOM 749 C ARG A 50 -7.713 -0.254 4.348 1.00 0.00 C ATOM 750 O ARG A 50 -6.816 -0.020 5.159 1.00 0.00 O ATOM 751 CB ARG A 50 -9.045 -1.753 5.842 1.00 0.00 C ATOM 752 CG ARG A 50 -9.683 -0.509 6.438 1.00 0.00 C ATOM 753 CD ARG A 50 -11.034 -0.217 5.803 1.00 0.00 C ATOM 754 NE ARG A 50 -11.882 0.596 6.670 1.00 0.00 N ATOM 755 CZ ARG A 50 -12.383 0.164 7.822 1.00 0.00 C ATOM 756 NH1 ARG A 50 -12.120 -1.065 8.244 1.00 0.00 N ATOM 757 NH2 ARG A 50 -13.147 0.964 8.556 1.00 0.00 N ATOM 0 H ARG A 50 -6.721 -2.629 4.302 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.357 -1.476 3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.778 -2.559 5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.225 -2.074 6.484 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.806 -0.641 7.513 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.021 0.345 6.296 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.885 0.299 4.855 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.540 -1.156 5.579 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.102 1.547 6.375 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.532 -1.682 7.684 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.506 -1.394 9.129 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.350 1.911 8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.531 0.632 9.440 1.00 0.00 H new ATOM 771 N ILE A 51 -8.041 0.584 3.370 1.00 0.00 N ATOM 772 CA ILE A 51 -7.352 1.855 3.190 1.00 0.00 C ATOM 773 C ILE A 51 -8.140 3.001 3.817 1.00 0.00 C ATOM 774 O ILE A 51 -9.155 3.441 3.276 1.00 0.00 O ATOM 775 CB ILE A 51 -7.118 2.164 1.700 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.364 1.013 1.031 1.00 0.00 C ATOM 777 CG2 ILE A 51 -6.353 3.469 1.542 1.00 0.00 C ATOM 778 CD1 ILE A 51 -6.437 1.039 -0.480 1.00 0.00 C ATOM 0 H ILE A 51 -8.780 0.405 2.690 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.387 1.763 3.689 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.086 2.273 1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.318 1.048 1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.769 0.067 1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.196 3.673 0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.926 4.283 1.987 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.388 3.388 2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.880 0.194 -0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.478 0.973 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.005 1.969 -0.849 1.00 0.00 H new ATOM 790 N THR A 52 -7.665 3.482 4.962 1.00 0.00 N ATOM 791 CA THR A 52 -8.324 4.577 5.663 1.00 0.00 C ATOM 792 C THR A 52 -7.759 5.925 5.231 1.00 0.00 C ATOM 793 O THR A 52 -7.795 6.895 5.986 1.00 0.00 O ATOM 794 CB THR A 52 -8.175 4.436 7.190 1.00 0.00 C ATOM 795 OG1 THR A 52 -6.826 4.088 7.521 1.00 0.00 O ATOM 796 CG2 THR A 52 -9.125 3.378 7.731 1.00 0.00 C ATOM 0 H THR A 52 -6.826 3.130 5.423 1.00 0.00 H new ATOM 0 HA THR A 52 -9.381 4.529 5.402 1.00 0.00 H new ATOM 0 HB THR A 52 -8.425 5.393 7.647 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.648 3.166 7.242 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.002 3.296 8.811 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.153 3.661 7.504 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.902 2.417 7.267 1.00 0.00 H new ATOM 804 N GLY A 53 -7.237 5.979 4.009 1.00 0.00 N ATOM 805 CA GLY A 53 -6.673 7.214 3.497 1.00 0.00 C ATOM 806 C GLY A 53 -5.163 7.257 3.621 1.00 0.00 C ATOM 807 O GLY A 53 -4.451 7.225 2.618 1.00 0.00 O ATOM 0 H GLY A 53 -7.195 5.189 3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.952 7.330 2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.103 8.058 4.037 1.00 0.00 H new ATOM 811 N GLU A 54 -4.673 7.330 4.855 1.00 0.00 N ATOM 812 CA GLU A 54 -3.238 7.380 5.105 1.00 0.00 C ATOM 813 C GLU A 54 -2.788 6.180 5.933 1.00 0.00 C ATOM 814 O GLU A 54 -1.645 6.118 6.384 1.00 0.00 O ATOM 815 CB GLU A 54 -2.867 8.678 5.825 1.00 0.00 C ATOM 816 CG GLU A 54 -2.960 8.582 7.339 1.00 0.00 C ATOM 817 CD GLU A 54 -3.012 9.942 8.007 1.00 0.00 C ATOM 818 OE1 GLU A 54 -4.125 10.487 8.159 1.00 0.00 O ATOM 819 OE2 GLU A 54 -1.938 10.461 8.379 1.00 0.00 O ATOM 0 H GLU A 54 -5.249 7.356 5.696 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.727 7.348 4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.851 8.959 5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.524 9.476 5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.850 8.014 7.609 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.101 8.028 7.718 1.00 0.00 H new ATOM 826 N GLU A 55 -3.697 5.229 6.129 1.00 0.00 N ATOM 827 CA GLU A 55 -3.394 4.032 6.904 1.00 0.00 C ATOM 828 C GLU A 55 -4.045 2.801 6.281 1.00 0.00 C ATOM 829 O GLU A 55 -5.270 2.712 6.189 1.00 0.00 O ATOM 830 CB GLU A 55 -3.871 4.198 8.349 1.00 0.00 C ATOM 831 CG GLU A 55 -2.857 4.885 9.249 1.00 0.00 C ATOM 832 CD GLU A 55 -3.362 5.061 10.668 1.00 0.00 C ATOM 833 OE1 GLU A 55 -4.350 5.803 10.858 1.00 0.00 O ATOM 834 OE2 GLU A 55 -2.771 4.459 11.588 1.00 0.00 O ATOM 0 H GLU A 55 -4.648 5.265 5.762 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.313 3.892 6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.797 4.773 8.353 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.104 3.216 8.761 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.936 4.302 9.265 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.609 5.861 8.832 1.00 0.00 H new ATOM 841 N VAL A 56 -3.217 1.853 5.852 1.00 0.00 N ATOM 842 CA VAL A 56 -3.711 0.627 5.238 1.00 0.00 C ATOM 843 C VAL A 56 -3.641 -0.543 6.213 1.00 0.00 C ATOM 844 O VAL A 56 -2.681 -0.675 6.971 1.00 0.00 O ATOM 845 CB VAL A 56 -2.912 0.273 3.970 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.332 -1.088 3.436 1.00 0.00 C ATOM 847 CG2 VAL A 56 -3.091 1.350 2.910 1.00 0.00 C ATOM 0 H VAL A 56 -2.201 1.911 5.919 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.751 0.807 4.965 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.855 0.223 4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.757 -1.321 2.540 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.147 -1.849 4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.394 -1.071 3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.520 1.084 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.147 1.434 2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.735 2.305 3.298 1.00 0.00 H new ATOM 857 N GLU A 57 -4.665 -1.391 6.186 1.00 0.00 N ATOM 858 CA GLU A 57 -4.719 -2.550 7.069 1.00 0.00 C ATOM 859 C GLU A 57 -5.239 -3.777 6.324 1.00 0.00 C ATOM 860 O GLU A 57 -6.372 -3.790 5.843 1.00 0.00 O ATOM 861 CB GLU A 57 -5.610 -2.258 8.278 1.00 0.00 C ATOM 862 CG GLU A 57 -5.692 -3.409 9.266 1.00 0.00 C ATOM 863 CD GLU A 57 -6.471 -3.050 10.517 1.00 0.00 C ATOM 864 OE1 GLU A 57 -6.317 -1.912 11.007 1.00 0.00 O ATOM 865 OE2 GLU A 57 -7.237 -3.908 11.004 1.00 0.00 O ATOM 0 H GLU A 57 -5.467 -1.297 5.563 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.707 -2.758 7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.232 -1.375 8.793 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.614 -2.018 7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.163 -4.265 8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.684 -3.715 9.546 1.00 0.00 H new ATOM 872 N VAL A 58 -4.403 -4.805 6.234 1.00 0.00 N ATOM 873 CA VAL A 58 -4.777 -6.037 5.549 1.00 0.00 C ATOM 874 C VAL A 58 -4.767 -7.223 6.507 1.00 0.00 C ATOM 875 O VAL A 58 -3.707 -7.676 6.938 1.00 0.00 O ATOM 876 CB VAL A 58 -3.830 -6.334 4.371 1.00 0.00 C ATOM 877 CG1 VAL A 58 -4.410 -7.423 3.481 1.00 0.00 C ATOM 878 CG2 VAL A 58 -3.561 -5.068 3.572 1.00 0.00 C ATOM 0 H VAL A 58 -3.462 -4.810 6.627 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.787 -5.892 5.166 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.881 -6.692 4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.727 -7.619 2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.546 -8.334 4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.372 -7.097 3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.890 -5.296 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.501 -4.678 3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.099 -4.321 4.218 1.00 0.00 H new ATOM 888 N GLN A 59 -5.955 -7.722 6.834 1.00 0.00 N ATOM 889 CA GLN A 59 -6.082 -8.856 7.742 1.00 0.00 C ATOM 890 C GLN A 59 -5.673 -10.154 7.053 1.00 0.00 C ATOM 891 O GLN A 59 -5.933 -10.346 5.865 1.00 0.00 O ATOM 892 CB GLN A 59 -7.519 -8.968 8.253 1.00 0.00 C ATOM 893 CG GLN A 59 -7.957 -7.785 9.102 1.00 0.00 C ATOM 894 CD GLN A 59 -9.349 -7.962 9.676 1.00 0.00 C ATOM 895 OE1 GLN A 59 -9.650 -8.979 10.303 1.00 0.00 O ATOM 896 NE2 GLN A 59 -10.207 -6.971 9.464 1.00 0.00 N ATOM 0 H GLN A 59 -6.842 -7.359 6.484 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.415 -8.689 8.587 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.192 -9.062 7.401 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.617 -9.882 8.839 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.247 -7.645 9.917 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.930 -6.879 8.497 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.915 -6.147 8.939 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.158 -7.034 9.826 1.00 0.00 H new ATOM 905 N ASP A 60 -5.030 -11.040 7.805 1.00 0.00 N ATOM 906 CA ASP A 60 -4.585 -12.320 7.267 1.00 0.00 C ATOM 907 C ASP A 60 -3.718 -12.117 6.028 1.00 0.00 C ATOM 908 O ASP A 60 -3.857 -12.832 5.036 1.00 0.00 O ATOM 909 CB ASP A 60 -5.789 -13.200 6.923 1.00 0.00 C ATOM 910 CG ASP A 60 -5.473 -14.679 7.027 1.00 0.00 C ATOM 911 OD1 ASP A 60 -4.683 -15.176 6.198 1.00 0.00 O ATOM 912 OD2 ASP A 60 -6.018 -15.340 7.936 1.00 0.00 O ATOM 0 H ASP A 60 -4.805 -10.895 8.789 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.987 -12.818 8.030 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.614 -12.960 7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.124 -12.973 5.911 1.00 0.00 H new ATOM 917 N SER A 61 -2.823 -11.136 6.093 1.00 0.00 N ATOM 918 CA SER A 61 -1.937 -10.835 4.975 1.00 0.00 C ATOM 919 C SER A 61 -1.422 -12.118 4.330 1.00 0.00 C ATOM 920 O SER A 61 -1.504 -13.197 4.915 1.00 0.00 O ATOM 921 CB SER A 61 -0.759 -9.980 5.447 1.00 0.00 C ATOM 922 OG SER A 61 0.185 -10.761 6.160 1.00 0.00 O ATOM 0 H SER A 61 -2.693 -10.537 6.908 1.00 0.00 H new ATOM 0 HA SER A 61 -2.507 -10.278 4.231 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.276 -9.515 4.588 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.123 -9.173 6.083 1.00 0.00 H new ATOM 0 HG SER A 61 0.929 -10.192 6.449 1.00 0.00 H new ATOM 928 N VAL A 62 -0.890 -11.991 3.118 1.00 0.00 N ATOM 929 CA VAL A 62 -0.361 -13.138 2.391 1.00 0.00 C ATOM 930 C VAL A 62 0.869 -12.753 1.576 1.00 0.00 C ATOM 931 O VAL A 62 1.115 -11.580 1.295 1.00 0.00 O ATOM 932 CB VAL A 62 -1.419 -13.743 1.450 1.00 0.00 C ATOM 933 CG1 VAL A 62 -2.200 -14.839 2.158 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.353 -12.660 0.933 1.00 0.00 C ATOM 0 H VAL A 62 -0.814 -11.104 2.619 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.081 -13.883 3.136 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.908 -14.188 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.943 -15.254 1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.516 -15.627 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.701 -14.422 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.094 -13.105 0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.858 -12.183 1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.777 -11.914 0.385 1.00 0.00 H new ATOM 944 N PRO A 63 1.660 -13.763 1.185 1.00 0.00 N ATOM 945 CA PRO A 63 2.877 -13.555 0.395 1.00 0.00 C ATOM 946 C PRO A 63 2.573 -13.112 -1.032 1.00 0.00 C ATOM 947 O PRO A 63 3.480 -12.949 -1.848 1.00 0.00 O ATOM 948 CB PRO A 63 3.541 -14.934 0.397 1.00 0.00 C ATOM 949 CG PRO A 63 2.420 -15.894 0.605 1.00 0.00 C ATOM 950 CD PRO A 63 1.427 -15.186 1.484 1.00 0.00 C ATOM 0 HA PRO A 63 3.503 -12.765 0.810 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.057 -15.126 -0.544 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.284 -15.015 1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.968 -16.178 -0.345 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.774 -16.811 1.076 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.404 -15.483 1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.594 -15.408 2.538 1.00 0.00 H new ATOM 958 N ALA A 64 1.292 -12.917 -1.326 1.00 0.00 N ATOM 959 CA ALA A 64 0.869 -12.490 -2.654 1.00 0.00 C ATOM 960 C ALA A 64 0.504 -11.010 -2.664 1.00 0.00 C ATOM 961 O ALA A 64 0.461 -10.378 -3.720 1.00 0.00 O ATOM 962 CB ALA A 64 -0.308 -13.330 -3.129 1.00 0.00 C ATOM 0 H ALA A 64 0.529 -13.048 -0.662 1.00 0.00 H new ATOM 0 HA ALA A 64 1.704 -12.636 -3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.613 -13.000 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.014 -14.379 -3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.141 -13.214 -2.436 1.00 0.00 H new ATOM 968 N ASP A 65 0.240 -10.462 -1.483 1.00 0.00 N ATOM 969 CA ASP A 65 -0.122 -9.056 -1.356 1.00 0.00 C ATOM 970 C ASP A 65 1.122 -8.186 -1.205 1.00 0.00 C ATOM 971 O ASP A 65 1.102 -6.996 -1.521 1.00 0.00 O ATOM 972 CB ASP A 65 -1.050 -8.852 -0.157 1.00 0.00 C ATOM 973 CG ASP A 65 -2.366 -9.589 -0.312 1.00 0.00 C ATOM 974 OD1 ASP A 65 -2.772 -9.841 -1.465 1.00 0.00 O ATOM 975 OD2 ASP A 65 -2.989 -9.914 0.721 1.00 0.00 O ATOM 0 H ASP A 65 0.270 -10.971 -0.600 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.644 -8.758 -2.265 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.549 -9.195 0.749 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.246 -7.787 -0.030 1.00 0.00 H new ATOM 980 N SER A 66 2.203 -8.787 -0.719 1.00 0.00 N ATOM 981 CA SER A 66 3.455 -8.067 -0.521 1.00 0.00 C ATOM 982 C SER A 66 3.776 -7.194 -1.730 1.00 0.00 C ATOM 983 O SER A 66 3.128 -7.293 -2.771 1.00 0.00 O ATOM 984 CB SER A 66 4.600 -9.050 -0.269 1.00 0.00 C ATOM 985 OG SER A 66 4.221 -10.045 0.666 1.00 0.00 O ATOM 0 H SER A 66 2.237 -9.772 -0.455 1.00 0.00 H new ATOM 0 HA SER A 66 3.341 -7.423 0.351 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.892 -9.521 -1.208 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.471 -8.511 0.102 1.00 0.00 H new ATOM 0 HG SER A 66 4.576 -10.913 0.382 1.00 0.00 H new ATOM 991 N GLY A 67 4.783 -6.338 -1.584 1.00 0.00 N ATOM 992 CA GLY A 67 5.173 -5.459 -2.671 1.00 0.00 C ATOM 993 C GLY A 67 5.709 -4.129 -2.178 1.00 0.00 C ATOM 994 O GLY A 67 6.061 -3.989 -1.006 1.00 0.00 O ATOM 0 H GLY A 67 5.336 -6.238 -0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.933 -5.951 -3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.314 -5.283 -3.318 1.00 0.00 H new ATOM 998 N LEU A 68 5.773 -3.150 -3.074 1.00 0.00 N ATOM 999 CA LEU A 68 6.271 -1.825 -2.724 1.00 0.00 C ATOM 1000 C LEU A 68 5.142 -0.799 -2.732 1.00 0.00 C ATOM 1001 O LEU A 68 4.772 -0.276 -3.783 1.00 0.00 O ATOM 1002 CB LEU A 68 7.370 -1.398 -3.698 1.00 0.00 C ATOM 1003 CG LEU A 68 8.037 -0.052 -3.410 1.00 0.00 C ATOM 1004 CD1 LEU A 68 8.887 -0.136 -2.152 1.00 0.00 C ATOM 1005 CD2 LEU A 68 8.881 0.389 -4.597 1.00 0.00 C ATOM 0 H LEU A 68 5.486 -3.249 -4.048 1.00 0.00 H new ATOM 0 HA LEU A 68 6.685 -1.874 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.141 -2.169 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.945 -1.363 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 68 7.257 0.691 -3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.354 0.831 -1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.257 -0.407 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.660 -0.892 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.348 1.348 -4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.654 -0.355 -4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.246 0.490 -5.477 1.00 0.00 H new ATOM 1017 N TYR A 69 4.600 -0.514 -1.553 1.00 0.00 N ATOM 1018 CA TYR A 69 3.513 0.449 -1.424 1.00 0.00 C ATOM 1019 C TYR A 69 4.040 1.879 -1.500 1.00 0.00 C ATOM 1020 O TYR A 69 5.081 2.200 -0.927 1.00 0.00 O ATOM 1021 CB TYR A 69 2.770 0.237 -0.104 1.00 0.00 C ATOM 1022 CG TYR A 69 2.012 -1.069 -0.038 1.00 0.00 C ATOM 1023 CD1 TYR A 69 2.683 -2.285 -0.025 1.00 0.00 C ATOM 1024 CD2 TYR A 69 0.623 -1.087 0.011 1.00 0.00 C ATOM 1025 CE1 TYR A 69 1.994 -3.481 0.034 1.00 0.00 C ATOM 1026 CE2 TYR A 69 -0.074 -2.277 0.071 1.00 0.00 C ATOM 1027 CZ TYR A 69 0.615 -3.472 0.082 1.00 0.00 C ATOM 1028 OH TYR A 69 -0.075 -4.661 0.142 1.00 0.00 O ATOM 0 H TYR A 69 4.896 -0.936 -0.673 1.00 0.00 H new ATOM 0 HA TYR A 69 2.822 0.291 -2.252 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.487 0.273 0.716 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.072 1.060 0.046 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.762 -2.296 -0.062 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.080 -0.154 0.002 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.532 -4.418 0.043 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.153 -2.272 0.109 1.00 0.00 H new ATOM 0 HH TYR A 69 0.428 -5.356 -0.332 1.00 0.00 H new ATOM 1038 N ALA A 70 3.313 2.733 -2.213 1.00 0.00 N ATOM 1039 CA ALA A 70 3.705 4.129 -2.363 1.00 0.00 C ATOM 1040 C ALA A 70 2.507 5.057 -2.189 1.00 0.00 C ATOM 1041 O ALA A 70 1.553 5.007 -2.966 1.00 0.00 O ATOM 1042 CB ALA A 70 4.355 4.352 -3.720 1.00 0.00 C ATOM 0 H ALA A 70 2.450 2.483 -2.696 1.00 0.00 H new ATOM 0 HA ALA A 70 4.429 4.363 -1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.643 5.399 -3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.241 3.723 -3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.648 4.095 -4.509 1.00 0.00 H new ATOM 1048 N CYS A 71 2.563 5.902 -1.165 1.00 0.00 N ATOM 1049 CA CYS A 71 1.482 6.840 -0.888 1.00 0.00 C ATOM 1050 C CYS A 71 1.834 8.238 -1.389 1.00 0.00 C ATOM 1051 O CYS A 71 2.872 8.795 -1.031 1.00 0.00 O ATOM 1052 CB CYS A 71 1.188 6.884 0.613 1.00 0.00 C ATOM 1053 SG CYS A 71 2.301 7.973 1.557 1.00 0.00 S ATOM 0 H CYS A 71 3.346 5.956 -0.513 1.00 0.00 H new ATOM 0 HA CYS A 71 0.592 6.496 -1.416 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.160 7.216 0.761 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.258 5.874 1.016 1.00 0.00 H new ATOM 1058 N VAL A 72 0.962 8.800 -2.220 1.00 0.00 N ATOM 1059 CA VAL A 72 1.179 10.133 -2.770 1.00 0.00 C ATOM 1060 C VAL A 72 0.115 11.109 -2.280 1.00 0.00 C ATOM 1061 O VAL A 72 -1.070 10.953 -2.577 1.00 0.00 O ATOM 1062 CB VAL A 72 1.173 10.113 -4.310 1.00 0.00 C ATOM 1063 CG1 VAL A 72 1.699 11.429 -4.863 1.00 0.00 C ATOM 1064 CG2 VAL A 72 1.991 8.941 -4.830 1.00 0.00 C ATOM 0 H VAL A 72 0.098 8.353 -2.527 1.00 0.00 H new ATOM 0 HA VAL A 72 2.158 10.463 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 72 0.145 9.989 -4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.687 11.396 -5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.067 12.247 -4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.720 11.588 -4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.976 8.942 -5.920 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.020 9.032 -4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.564 8.008 -4.462 1.00 0.00 H new ATOM 1074 N THR A 73 0.545 12.118 -1.529 1.00 0.00 N ATOM 1075 CA THR A 73 -0.370 13.120 -0.998 1.00 0.00 C ATOM 1076 C THR A 73 -0.357 14.383 -1.850 1.00 0.00 C ATOM 1077 O THR A 73 0.702 14.945 -2.130 1.00 0.00 O ATOM 1078 CB THR A 73 -0.015 13.491 0.455 1.00 0.00 C ATOM 1079 OG1 THR A 73 1.190 14.263 0.482 1.00 0.00 O ATOM 1080 CG2 THR A 73 0.157 12.242 1.306 1.00 0.00 C ATOM 0 H THR A 73 1.522 12.263 -1.275 1.00 0.00 H new ATOM 0 HA THR A 73 -1.367 12.680 -1.020 1.00 0.00 H new ATOM 0 HB THR A 73 -0.834 14.081 0.867 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.379 14.606 -0.416 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.407 12.529 2.327 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.772 11.671 1.307 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.959 11.629 0.895 1.00 0.00 H new ATOM 1088 N SER A 74 -1.541 14.826 -2.261 1.00 0.00 N ATOM 1089 CA SER A 74 -1.666 16.023 -3.085 1.00 0.00 C ATOM 1090 C SER A 74 -1.777 17.272 -2.216 1.00 0.00 C ATOM 1091 O SER A 74 -2.751 17.449 -1.485 1.00 0.00 O ATOM 1092 CB SER A 74 -2.888 15.913 -3.999 1.00 0.00 C ATOM 1093 OG SER A 74 -2.692 14.927 -4.997 1.00 0.00 O ATOM 0 H SER A 74 -2.427 14.374 -2.037 1.00 0.00 H new ATOM 0 HA SER A 74 -0.769 16.107 -3.698 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.768 15.665 -3.406 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.082 16.877 -4.469 1.00 0.00 H new ATOM 0 HG SER A 74 -3.488 14.875 -5.567 1.00 0.00 H new ATOM 1099 N SER A 75 -0.770 18.136 -2.303 1.00 0.00 N ATOM 1100 CA SER A 75 -0.751 19.368 -1.522 1.00 0.00 C ATOM 1101 C SER A 75 -0.434 20.568 -2.408 1.00 0.00 C ATOM 1102 O SER A 75 0.228 20.452 -3.440 1.00 0.00 O ATOM 1103 CB SER A 75 0.278 19.266 -0.394 1.00 0.00 C ATOM 1104 OG SER A 75 1.595 19.184 -0.911 1.00 0.00 O ATOM 0 H SER A 75 0.042 18.006 -2.906 1.00 0.00 H new ATOM 0 HA SER A 75 -1.741 19.510 -1.089 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.194 20.135 0.259 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.068 18.387 0.216 1.00 0.00 H new ATOM 0 HG SER A 75 1.805 18.251 -1.125 1.00 0.00 H new ATOM 1110 N PRO A 76 -0.917 21.750 -1.998 1.00 0.00 N ATOM 1111 CA PRO A 76 -0.697 22.995 -2.739 1.00 0.00 C ATOM 1112 C PRO A 76 0.755 23.457 -2.680 1.00 0.00 C ATOM 1113 O PRO A 76 1.113 24.487 -3.252 1.00 0.00 O ATOM 1114 CB PRO A 76 -1.607 23.998 -2.025 1.00 0.00 C ATOM 1115 CG PRO A 76 -1.755 23.459 -0.644 1.00 0.00 C ATOM 1116 CD PRO A 76 -1.714 21.962 -0.778 1.00 0.00 C ATOM 0 HA PRO A 76 -0.915 22.881 -3.801 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.167 24.995 -2.016 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.573 24.081 -2.523 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.953 23.815 0.002 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -2.694 23.785 -0.196 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.251 21.493 0.091 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.714 21.540 -0.873 1.00 0.00 H new ATOM 1124 N SER A 77 1.587 22.689 -1.984 1.00 0.00 N ATOM 1125 CA SER A 77 3.000 23.022 -1.847 1.00 0.00 C ATOM 1126 C SER A 77 3.871 22.006 -2.580 1.00 0.00 C ATOM 1127 O SER A 77 5.068 22.219 -2.767 1.00 0.00 O ATOM 1128 CB SER A 77 3.393 23.075 -0.369 1.00 0.00 C ATOM 1129 OG SER A 77 3.227 21.810 0.248 1.00 0.00 O ATOM 0 H SER A 77 1.307 21.832 -1.506 1.00 0.00 H new ATOM 0 HA SER A 77 3.161 24.003 -2.294 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.431 23.395 -0.277 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.784 23.817 0.146 1.00 0.00 H new ATOM 0 HG SER A 77 3.486 21.870 1.191 1.00 0.00 H new ATOM 1135 N GLY A 78 3.259 20.900 -2.992 1.00 0.00 N ATOM 1136 CA GLY A 78 3.993 19.867 -3.700 1.00 0.00 C ATOM 1137 C GLY A 78 3.595 18.471 -3.263 1.00 0.00 C ATOM 1138 O GLY A 78 3.587 18.165 -2.071 1.00 0.00 O ATOM 0 H GLY A 78 2.269 20.701 -2.848 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.821 19.972 -4.771 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.061 20.006 -3.534 1.00 0.00 H new ATOM 1142 N SER A 79 3.263 17.622 -4.230 1.00 0.00 N ATOM 1143 CA SER A 79 2.857 16.252 -3.938 1.00 0.00 C ATOM 1144 C SER A 79 4.052 15.414 -3.496 1.00 0.00 C ATOM 1145 O SER A 79 5.046 15.303 -4.213 1.00 0.00 O ATOM 1146 CB SER A 79 2.202 15.619 -5.168 1.00 0.00 C ATOM 1147 OG SER A 79 2.855 16.025 -6.359 1.00 0.00 O ATOM 0 H SER A 79 3.267 17.858 -5.222 1.00 0.00 H new ATOM 0 HA SER A 79 2.133 16.279 -3.123 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.235 14.533 -5.083 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.151 15.903 -5.211 1.00 0.00 H new ATOM 0 HG SER A 79 2.419 15.606 -7.130 1.00 0.00 H new ATOM 1153 N ASP A 80 3.947 14.825 -2.310 1.00 0.00 N ATOM 1154 CA ASP A 80 5.017 13.995 -1.770 1.00 0.00 C ATOM 1155 C ASP A 80 4.784 12.524 -2.100 1.00 0.00 C ATOM 1156 O ASP A 80 3.813 12.174 -2.772 1.00 0.00 O ATOM 1157 CB ASP A 80 5.121 14.180 -0.256 1.00 0.00 C ATOM 1158 CG ASP A 80 6.536 13.992 0.255 1.00 0.00 C ATOM 1159 OD1 ASP A 80 7.442 14.699 -0.234 1.00 0.00 O ATOM 1160 OD2 ASP A 80 6.739 13.138 1.143 1.00 0.00 O ATOM 0 H ASP A 80 3.131 14.907 -1.704 1.00 0.00 H new ATOM 0 HA ASP A 80 5.953 14.308 -2.232 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.771 15.178 0.010 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.461 13.468 0.240 1.00 0.00 H new ATOM 1165 N THR A 81 5.681 11.666 -1.625 1.00 0.00 N ATOM 1166 CA THR A 81 5.575 10.234 -1.871 1.00 0.00 C ATOM 1167 C THR A 81 6.301 9.435 -0.795 1.00 0.00 C ATOM 1168 O THR A 81 7.435 9.751 -0.431 1.00 0.00 O ATOM 1169 CB THR A 81 6.148 9.857 -3.250 1.00 0.00 C ATOM 1170 OG1 THR A 81 5.701 10.791 -4.239 1.00 0.00 O ATOM 1171 CG2 THR A 81 5.725 8.450 -3.645 1.00 0.00 C ATOM 0 H THR A 81 6.490 11.939 -1.067 1.00 0.00 H new ATOM 0 HA THR A 81 4.514 9.987 -1.847 1.00 0.00 H new ATOM 0 HB THR A 81 7.236 9.888 -3.188 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.071 10.545 -5.112 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.141 8.206 -4.622 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.093 7.738 -2.906 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.637 8.396 -3.690 1.00 0.00 H new ATOM 1179 N THR A 82 5.643 8.398 -0.288 1.00 0.00 N ATOM 1180 CA THR A 82 6.226 7.554 0.748 1.00 0.00 C ATOM 1181 C THR A 82 6.170 6.082 0.354 1.00 0.00 C ATOM 1182 O THR A 82 5.092 5.525 0.149 1.00 0.00 O ATOM 1183 CB THR A 82 5.506 7.740 2.096 1.00 0.00 C ATOM 1184 OG1 THR A 82 5.027 9.085 2.215 1.00 0.00 O ATOM 1185 CG2 THR A 82 6.438 7.424 3.256 1.00 0.00 C ATOM 0 H THR A 82 4.705 8.122 -0.578 1.00 0.00 H new ATOM 0 HA THR A 82 7.267 7.860 0.855 1.00 0.00 H new ATOM 0 HB THR A 82 4.663 7.050 2.130 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.127 9.147 1.832 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.907 7.563 4.198 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.777 6.391 3.179 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.299 8.092 3.223 1.00 0.00 H new ATOM 1193 N TYR A 83 7.338 5.458 0.249 1.00 0.00 N ATOM 1194 CA TYR A 83 7.422 4.051 -0.123 1.00 0.00 C ATOM 1195 C TYR A 83 7.428 3.160 1.116 1.00 0.00 C ATOM 1196 O TYR A 83 7.811 3.591 2.204 1.00 0.00 O ATOM 1197 CB TYR A 83 8.680 3.795 -0.955 1.00 0.00 C ATOM 1198 CG TYR A 83 8.651 4.455 -2.315 1.00 0.00 C ATOM 1199 CD1 TYR A 83 8.938 5.807 -2.460 1.00 0.00 C ATOM 1200 CD2 TYR A 83 8.336 3.726 -3.455 1.00 0.00 C ATOM 1201 CE1 TYR A 83 8.912 6.413 -3.700 1.00 0.00 C ATOM 1202 CE2 TYR A 83 8.309 4.324 -4.700 1.00 0.00 C ATOM 1203 CZ TYR A 83 8.597 5.668 -4.818 1.00 0.00 C ATOM 1204 OH TYR A 83 8.571 6.268 -6.056 1.00 0.00 O ATOM 0 H TYR A 83 8.240 5.905 0.416 1.00 0.00 H new ATOM 0 HA TYR A 83 6.544 3.807 -0.721 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.549 4.155 -0.404 1.00 0.00 H new ATOM 0 HB3 TYR A 83 8.807 2.720 -1.085 1.00 0.00 H new ATOM 0 HD1 TYR A 83 9.186 6.394 -1.588 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.108 2.674 -3.366 1.00 0.00 H new ATOM 0 HE1 TYR A 83 9.137 7.465 -3.795 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.064 3.742 -5.576 1.00 0.00 H new ATOM 0 HH TYR A 83 8.333 5.604 -6.736 1.00 0.00 H new ATOM 1214 N PHE A 84 7.002 1.913 0.942 1.00 0.00 N ATOM 1215 CA PHE A 84 6.957 0.960 2.045 1.00 0.00 C ATOM 1216 C PHE A 84 7.222 -0.458 1.548 1.00 0.00 C ATOM 1217 O PHE A 84 6.366 -1.076 0.914 1.00 0.00 O ATOM 1218 CB PHE A 84 5.599 1.022 2.746 1.00 0.00 C ATOM 1219 CG PHE A 84 5.130 2.422 3.022 1.00 0.00 C ATOM 1220 CD1 PHE A 84 4.444 3.140 2.055 1.00 0.00 C ATOM 1221 CD2 PHE A 84 5.373 3.019 4.248 1.00 0.00 C ATOM 1222 CE1 PHE A 84 4.013 4.429 2.306 1.00 0.00 C ATOM 1223 CE2 PHE A 84 4.944 4.307 4.505 1.00 0.00 C ATOM 1224 CZ PHE A 84 4.261 5.013 3.533 1.00 0.00 C ATOM 0 H PHE A 84 6.683 1.539 0.048 1.00 0.00 H new ATOM 0 HA PHE A 84 7.737 1.229 2.757 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.857 0.514 2.130 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.660 0.476 3.687 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.244 2.687 1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.904 2.471 5.012 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.483 4.979 1.543 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.142 4.762 5.464 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.922 6.019 3.732 1.00 0.00 H new ATOM 1234 N SER A 85 8.414 -0.969 1.840 1.00 0.00 N ATOM 1235 CA SER A 85 8.794 -2.312 1.420 1.00 0.00 C ATOM 1236 C SER A 85 8.205 -3.362 2.358 1.00 0.00 C ATOM 1237 O SER A 85 8.669 -3.534 3.486 1.00 0.00 O ATOM 1238 CB SER A 85 10.318 -2.445 1.380 1.00 0.00 C ATOM 1239 OG SER A 85 10.706 -3.764 1.037 1.00 0.00 O ATOM 0 H SER A 85 9.133 -0.473 2.366 1.00 0.00 H new ATOM 0 HA SER A 85 8.395 -2.479 0.419 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.729 -1.742 0.655 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.735 -2.181 2.352 1.00 0.00 H new ATOM 0 HG SER A 85 11.684 -3.822 1.017 1.00 0.00 H new ATOM 1245 N VAL A 86 7.179 -4.061 1.884 1.00 0.00 N ATOM 1246 CA VAL A 86 6.527 -5.095 2.679 1.00 0.00 C ATOM 1247 C VAL A 86 6.954 -6.487 2.228 1.00 0.00 C ATOM 1248 O VAL A 86 7.316 -6.691 1.070 1.00 0.00 O ATOM 1249 CB VAL A 86 4.993 -4.987 2.589 1.00 0.00 C ATOM 1250 CG1 VAL A 86 4.334 -6.202 3.224 1.00 0.00 C ATOM 1251 CG2 VAL A 86 4.510 -3.703 3.247 1.00 0.00 C ATOM 0 H VAL A 86 6.781 -3.930 0.954 1.00 0.00 H new ATOM 0 HA VAL A 86 6.836 -4.941 3.713 1.00 0.00 H new ATOM 0 HB VAL A 86 4.709 -4.958 1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.251 -6.108 3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.656 -7.104 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.623 -6.266 4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.424 -3.643 3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.804 -3.699 4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.955 -2.846 2.742 1.00 0.00 H new ATOM 1261 N ASN A 87 6.910 -7.442 3.151 1.00 0.00 N ATOM 1262 CA ASN A 87 7.294 -8.816 2.848 1.00 0.00 C ATOM 1263 C ASN A 87 6.516 -9.801 3.716 1.00 0.00 C ATOM 1264 O ASN A 87 6.779 -9.936 4.911 1.00 0.00 O ATOM 1265 CB ASN A 87 8.796 -9.007 3.062 1.00 0.00 C ATOM 1266 CG ASN A 87 9.384 -10.052 2.133 1.00 0.00 C ATOM 1267 OD1 ASN A 87 10.150 -9.730 1.225 1.00 0.00 O ATOM 1268 ND2 ASN A 87 9.028 -11.311 2.358 1.00 0.00 N ATOM 0 H ASN A 87 6.612 -7.290 4.115 1.00 0.00 H new ATOM 0 HA ASN A 87 7.055 -9.012 1.803 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.306 -8.057 2.905 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.979 -9.300 4.096 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.392 -12.058 1.766 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.390 -11.532 3.123 1.00 0.00 H new ATOM 1275 N VAL A 88 5.556 -10.489 3.105 1.00 0.00 N ATOM 1276 CA VAL A 88 4.741 -11.464 3.820 1.00 0.00 C ATOM 1277 C VAL A 88 5.219 -12.886 3.549 1.00 0.00 C ATOM 1278 O VAL A 88 5.228 -13.340 2.405 1.00 0.00 O ATOM 1279 CB VAL A 88 3.256 -11.350 3.428 1.00 0.00 C ATOM 1280 CG1 VAL A 88 2.416 -12.340 4.220 1.00 0.00 C ATOM 1281 CG2 VAL A 88 2.758 -9.928 3.637 1.00 0.00 C ATOM 0 H VAL A 88 5.324 -10.389 2.117 1.00 0.00 H new ATOM 0 HA VAL A 88 4.847 -11.245 4.883 1.00 0.00 H new ATOM 0 HB VAL A 88 3.158 -11.593 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.370 -12.244 3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.758 -13.354 4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.517 -12.132 5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.707 -9.865 3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.869 -9.654 4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.341 -9.244 3.020 1.00 0.00 H new ATOM 1291 N SER A 89 5.615 -13.584 4.608 1.00 0.00 N ATOM 1292 CA SER A 89 6.098 -14.954 4.484 1.00 0.00 C ATOM 1293 C SER A 89 6.073 -15.663 5.834 1.00 0.00 C ATOM 1294 O SER A 89 6.334 -15.055 6.872 1.00 0.00 O ATOM 1295 CB SER A 89 7.518 -14.967 3.914 1.00 0.00 C ATOM 1296 OG SER A 89 7.852 -16.246 3.404 1.00 0.00 O ATOM 0 H SER A 89 5.611 -13.223 5.562 1.00 0.00 H new ATOM 0 HA SER A 89 5.435 -15.486 3.802 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.602 -14.223 3.122 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.228 -14.686 4.692 1.00 0.00 H new ATOM 0 HG SER A 89 8.763 -16.227 3.044 1.00 0.00 H new ATOM 1302 N ASP A 90 5.758 -16.953 5.812 1.00 0.00 N ATOM 1303 CA ASP A 90 5.699 -17.748 7.033 1.00 0.00 C ATOM 1304 C ASP A 90 7.068 -17.815 7.704 1.00 0.00 C ATOM 1305 O ASP A 90 7.183 -18.213 8.863 1.00 0.00 O ATOM 1306 CB ASP A 90 5.198 -19.160 6.725 1.00 0.00 C ATOM 1307 CG ASP A 90 6.154 -19.932 5.837 1.00 0.00 C ATOM 1308 OD1 ASP A 90 6.297 -19.560 4.654 1.00 0.00 O ATOM 1309 OD2 ASP A 90 6.760 -20.909 6.326 1.00 0.00 O ATOM 0 H ASP A 90 5.539 -17.471 4.961 1.00 0.00 H new ATOM 0 HA ASP A 90 5.002 -17.266 7.718 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.055 -19.703 7.659 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.224 -19.099 6.239 1.00 0.00 H new ATOM 1314 N ALA A 91 8.102 -17.424 6.967 1.00 0.00 N ATOM 1315 CA ALA A 91 9.462 -17.439 7.490 1.00 0.00 C ATOM 1316 C ALA A 91 9.750 -16.183 8.306 1.00 0.00 C ATOM 1317 O ALA A 91 9.656 -15.065 7.798 1.00 0.00 O ATOM 1318 CB ALA A 91 10.464 -17.573 6.353 1.00 0.00 C ATOM 0 H ALA A 91 8.024 -17.093 6.005 1.00 0.00 H new ATOM 0 HA ALA A 91 9.561 -18.301 8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 91 11.476 -17.583 6.759 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.280 -18.502 5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.355 -16.730 5.671 1.00 0.00 H new ATOM 1324 N LEU A 92 10.101 -16.374 9.573 1.00 0.00 N ATOM 1325 CA LEU A 92 10.402 -15.256 10.460 1.00 0.00 C ATOM 1326 C LEU A 92 11.624 -15.558 11.322 1.00 0.00 C ATOM 1327 O LEU A 92 11.921 -16.711 11.638 1.00 0.00 O ATOM 1328 CB LEU A 92 9.198 -14.947 11.352 1.00 0.00 C ATOM 1329 CG LEU A 92 7.850 -14.828 10.641 1.00 0.00 C ATOM 1330 CD1 LEU A 92 6.719 -15.243 11.569 1.00 0.00 C ATOM 1331 CD2 LEU A 92 7.636 -13.408 10.138 1.00 0.00 C ATOM 0 H LEU A 92 10.184 -17.292 10.009 1.00 0.00 H new ATOM 0 HA LEU A 92 10.622 -14.385 9.843 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.120 -15.729 12.107 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.392 -14.013 11.879 1.00 0.00 H new ATOM 0 HG LEU A 92 7.853 -15.500 9.782 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.767 -15.152 11.046 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.865 -16.278 11.880 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.714 -14.597 12.447 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.672 -13.342 9.635 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.654 -12.717 10.981 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.429 -13.147 9.438 1.00 0.00 H new ATOM 1343 N PRO A 93 12.348 -14.500 11.715 1.00 0.00 N ATOM 1344 CA PRO A 93 13.547 -14.627 12.549 1.00 0.00 C ATOM 1345 C PRO A 93 13.219 -15.056 13.975 1.00 0.00 C ATOM 1346 O PRO A 93 14.107 -15.162 14.821 1.00 0.00 O ATOM 1347 CB PRO A 93 14.139 -13.215 12.537 1.00 0.00 C ATOM 1348 CG PRO A 93 12.977 -12.321 12.271 1.00 0.00 C ATOM 1349 CD PRO A 93 12.052 -13.098 11.376 1.00 0.00 C ATOM 0 HA PRO A 93 14.226 -15.392 12.172 1.00 0.00 H new ATOM 0 HB2 PRO A 93 14.613 -12.976 13.489 1.00 0.00 H new ATOM 0 HB3 PRO A 93 14.903 -13.112 11.766 1.00 0.00 H new ATOM 0 HG2 PRO A 93 12.479 -12.042 13.199 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.298 -11.396 11.792 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.008 -12.851 11.566 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.243 -12.890 10.323 1.00 0.00 H new ATOM 1357 N SER A 94 11.939 -15.301 14.234 1.00 0.00 N ATOM 1358 CA SER A 94 11.493 -15.715 15.560 1.00 0.00 C ATOM 1359 C SER A 94 12.169 -17.018 15.978 1.00 0.00 C ATOM 1360 O SER A 94 12.945 -17.599 15.220 1.00 0.00 O ATOM 1361 CB SER A 94 9.973 -15.886 15.579 1.00 0.00 C ATOM 1362 OG SER A 94 9.488 -15.980 16.907 1.00 0.00 O ATOM 0 H SER A 94 11.192 -15.220 13.544 1.00 0.00 H new ATOM 0 HA SER A 94 11.773 -14.937 16.270 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.502 -15.042 15.075 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.698 -16.782 15.023 1.00 0.00 H new ATOM 0 HG SER A 94 8.514 -16.087 16.893 1.00 0.00 H new ATOM 1368 N GLY A 95 11.867 -17.471 17.191 1.00 0.00 N ATOM 1369 CA GLY A 95 12.453 -18.702 17.690 1.00 0.00 C ATOM 1370 C GLY A 95 11.758 -19.210 18.937 1.00 0.00 C ATOM 1371 O GLY A 95 12.198 -18.970 20.061 1.00 0.00 O ATOM 0 H GLY A 95 11.227 -17.008 17.837 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.403 -19.465 16.914 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.508 -18.537 17.908 1.00 0.00 H new ATOM 1375 N PRO A 96 10.642 -19.931 18.746 1.00 0.00 N ATOM 1376 CA PRO A 96 9.861 -20.489 19.853 1.00 0.00 C ATOM 1377 C PRO A 96 10.590 -21.624 20.563 1.00 0.00 C ATOM 1378 O PRO A 96 11.689 -22.012 20.167 1.00 0.00 O ATOM 1379 CB PRO A 96 8.596 -21.011 19.167 1.00 0.00 C ATOM 1380 CG PRO A 96 9.013 -21.285 17.763 1.00 0.00 C ATOM 1381 CD PRO A 96 10.059 -20.256 17.433 1.00 0.00 C ATOM 0 HA PRO A 96 9.667 -19.748 20.629 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.225 -21.913 19.653 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.793 -20.275 19.205 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.414 -22.294 17.665 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.165 -21.211 17.083 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.808 -20.650 16.747 1.00 0.00 H new ATOM 0 HD3 PRO A 96 9.623 -19.377 16.958 1.00 0.00 H new ATOM 1389 N SER A 97 9.971 -22.154 21.613 1.00 0.00 N ATOM 1390 CA SER A 97 10.563 -23.243 22.380 1.00 0.00 C ATOM 1391 C SER A 97 9.654 -24.469 22.375 1.00 0.00 C ATOM 1392 O SER A 97 9.984 -25.498 21.786 1.00 0.00 O ATOM 1393 CB SER A 97 10.827 -22.797 23.820 1.00 0.00 C ATOM 1394 OG SER A 97 11.688 -21.672 23.855 1.00 0.00 O ATOM 0 H SER A 97 9.059 -21.847 21.952 1.00 0.00 H new ATOM 0 HA SER A 97 11.509 -23.511 21.910 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.883 -22.552 24.307 1.00 0.00 H new ATOM 0 HB3 SER A 97 11.272 -23.618 24.382 1.00 0.00 H new ATOM 0 HG SER A 97 11.840 -21.405 24.786 1.00 0.00 H new ATOM 1400 N SER A 98 8.506 -24.349 23.035 1.00 0.00 N ATOM 1401 CA SER A 98 7.550 -25.447 23.110 1.00 0.00 C ATOM 1402 C SER A 98 7.491 -26.208 21.788 1.00 0.00 C ATOM 1403 O SER A 98 7.614 -27.431 21.757 1.00 0.00 O ATOM 1404 CB SER A 98 6.160 -24.918 23.469 1.00 0.00 C ATOM 1405 OG SER A 98 5.222 -25.975 23.573 1.00 0.00 O ATOM 0 H SER A 98 8.216 -23.503 23.525 1.00 0.00 H new ATOM 0 HA SER A 98 7.883 -26.132 23.889 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.207 -24.375 24.413 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.830 -24.209 22.710 1.00 0.00 H new ATOM 0 HG SER A 98 4.342 -25.610 23.805 1.00 0.00 H new ATOM 1411 N GLY A 99 7.301 -25.472 20.697 1.00 0.00 N ATOM 1412 CA GLY A 99 7.229 -26.092 19.387 1.00 0.00 C ATOM 1413 C GLY A 99 6.301 -27.291 19.364 1.00 0.00 C ATOM 1414 O GLY A 99 6.622 -28.321 18.771 1.00 0.00 O ATOM 0 H GLY A 99 7.196 -24.457 20.697 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.886 -25.357 18.659 1.00 0.00 H new ATOM 0 HA3 GLY A 99 8.228 -26.403 19.080 1.00 0.00 H new TER 1418 GLY A 99