USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 728 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 36 GLN : amide:sc= -1.31! C(o=-1.8!,f=-7.7!) USER MOD Set 1.2: A 48 ASN : amide:sc= -0.489 K(o=-1.8,f=-9.3!) USER MOD Set 2.1: A 30 THR OG1 : rot -78:sc= 2.17 USER MOD Set 2.2: A 32 TYR OH : rot 89:sc= 0.923 USER MOD Set 3.1: A 14 SER OG : rot 180:sc= 0.463 USER MOD Set 3.2: A 113 ASN : amide:sc= 1.36 K(o=1.8,f=0.74) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 48:sc= 0.688 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0134 USER MOD Single : A 10 SER OG : rot -170:sc= -0.462 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 104:sc= 1.32 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.68) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00963 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -25:sc= 0.434 USER MOD Single : A 56 THR OG1 : rot 32:sc= 0.045 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 62 SER OG : rot 59:sc= 0.0783 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.059 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -84:sc= 1.24 USER MOD Single : A 81 THR OG1 : rot 118:sc= 0.655 USER MOD Single : A 85 THR OG1 : rot -95:sc= 1.27 USER MOD Single : A 89 THR OG1 : rot 101:sc= 0.36 USER MOD Single : A 90 THR OG1 : rot -43:sc= 0.717 USER MOD Single : A 94 GLN : amide:sc= -0.214 K(o=-0.21,f=-1) USER MOD Single : A 98 SER OG : rot 10:sc= 0.843 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0873 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.684 4.961 16.357 1.00 0.00 N ATOM 2 CA ALA A 1 -16.266 3.984 15.409 1.00 0.00 C ATOM 3 C ALA A 1 -15.209 2.974 14.978 1.00 0.00 C ATOM 4 O ALA A 1 -14.160 3.352 14.459 1.00 0.00 O ATOM 5 CB ALA A 1 -16.838 4.703 14.198 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.414 5.644 16.643 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.329 4.461 17.197 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.899 5.465 15.897 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.074 3.449 15.908 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.263 3.973 13.509 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.617 5.395 14.520 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.045 5.258 13.696 1.00 0.00 H new ATOM 11 N ALA A 2 -15.482 1.694 15.202 1.00 0.00 N ATOM 12 CA ALA A 2 -14.549 0.636 14.839 1.00 0.00 C ATOM 13 C ALA A 2 -14.660 0.290 13.356 1.00 0.00 C ATOM 14 O ALA A 2 -15.694 -0.206 12.901 1.00 0.00 O ATOM 15 CB ALA A 2 -14.796 -0.603 15.690 1.00 0.00 C ATOM 0 H ALA A 2 -16.345 1.364 15.635 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.538 0.998 15.028 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.091 -1.385 15.407 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.659 -0.355 16.743 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.814 -0.957 15.530 1.00 0.00 H new ATOM 21 N PRO A 3 -13.594 0.548 12.579 1.00 0.00 N ATOM 22 CA PRO A 3 -13.575 0.260 11.150 1.00 0.00 C ATOM 23 C PRO A 3 -13.277 -1.211 10.871 1.00 0.00 C ATOM 24 O PRO A 3 -12.744 -1.916 11.729 1.00 0.00 O ATOM 25 CB PRO A 3 -12.446 1.147 10.636 1.00 0.00 C ATOM 26 CG PRO A 3 -11.495 1.252 11.780 1.00 0.00 C ATOM 27 CD PRO A 3 -12.319 1.133 13.040 1.00 0.00 C ATOM 0 HA PRO A 3 -14.535 0.452 10.671 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.966 0.709 9.761 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.817 2.128 10.339 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.744 0.464 11.733 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.962 2.202 11.754 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.831 0.496 13.777 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.472 2.104 13.510 1.00 0.00 H new ATOM 35 N THR A 4 -13.612 -1.668 9.676 1.00 0.00 N ATOM 36 CA THR A 4 -13.386 -3.056 9.298 1.00 0.00 C ATOM 37 C THR A 4 -12.254 -3.170 8.274 1.00 0.00 C ATOM 38 O THR A 4 -12.442 -2.898 7.088 1.00 0.00 O ATOM 39 CB THR A 4 -14.669 -3.686 8.717 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.809 -3.267 9.482 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.582 -5.208 8.719 1.00 0.00 C ATOM 0 H THR A 4 -14.043 -1.098 8.948 1.00 0.00 H new ATOM 0 HA THR A 4 -13.102 -3.596 10.201 1.00 0.00 H new ATOM 0 HB THR A 4 -14.776 -3.349 7.686 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.620 -3.669 9.107 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.500 -5.625 8.304 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.733 -5.525 8.113 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.451 -5.564 9.741 1.00 0.00 H new ATOM 49 N ALA A 5 -11.078 -3.557 8.746 1.00 0.00 N ATOM 50 CA ALA A 5 -9.923 -3.711 7.881 1.00 0.00 C ATOM 51 C ALA A 5 -9.718 -5.176 7.517 1.00 0.00 C ATOM 52 O ALA A 5 -9.173 -5.952 8.301 1.00 0.00 O ATOM 53 CB ALA A 5 -8.685 -3.145 8.560 1.00 0.00 C ATOM 0 H ALA A 5 -10.901 -3.770 9.728 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.098 -3.156 6.959 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.823 -3.265 7.904 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.837 -2.086 8.770 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.507 -3.678 9.494 1.00 0.00 H new ATOM 59 N THR A 6 -10.178 -5.551 6.337 1.00 0.00 N ATOM 60 CA THR A 6 -10.053 -6.919 5.869 1.00 0.00 C ATOM 61 C THR A 6 -9.051 -7.007 4.721 1.00 0.00 C ATOM 62 O THR A 6 -9.410 -6.847 3.553 1.00 0.00 O ATOM 63 CB THR A 6 -11.418 -7.461 5.410 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.230 -6.381 4.919 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.140 -8.161 6.550 1.00 0.00 C ATOM 0 H THR A 6 -10.644 -4.923 5.682 1.00 0.00 H new ATOM 0 HA THR A 6 -9.692 -7.526 6.699 1.00 0.00 H new ATOM 0 HB THR A 6 -11.246 -8.185 4.614 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.707 -5.835 4.295 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.102 -8.534 6.197 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.536 -8.995 6.906 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.301 -7.456 7.366 1.00 0.00 H new ATOM 73 N VAL A 7 -7.792 -7.244 5.053 1.00 0.00 N ATOM 74 CA VAL A 7 -6.748 -7.337 4.044 1.00 0.00 C ATOM 75 C VAL A 7 -6.082 -8.710 4.068 1.00 0.00 C ATOM 76 O VAL A 7 -5.988 -9.348 5.118 1.00 0.00 O ATOM 77 CB VAL A 7 -5.674 -6.243 4.237 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.282 -4.855 4.092 1.00 0.00 C ATOM 79 CG2 VAL A 7 -4.994 -6.383 5.592 1.00 0.00 C ATOM 0 H VAL A 7 -7.468 -7.375 6.011 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.228 -7.189 3.077 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.922 -6.373 3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.507 -4.102 4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.715 -4.750 3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.060 -4.718 4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.242 -5.602 5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.737 -6.288 6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.515 -7.360 5.660 1.00 0.00 H new ATOM 89 N THR A 8 -5.636 -9.162 2.907 1.00 0.00 N ATOM 90 CA THR A 8 -4.973 -10.450 2.787 1.00 0.00 C ATOM 91 C THR A 8 -3.482 -10.261 2.516 1.00 0.00 C ATOM 92 O THR A 8 -3.083 -9.918 1.402 1.00 0.00 O ATOM 93 CB THR A 8 -5.597 -11.287 1.658 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.006 -11.038 1.591 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.358 -12.767 1.884 1.00 0.00 C ATOM 0 H THR A 8 -5.722 -8.651 2.028 1.00 0.00 H new ATOM 0 HA THR A 8 -5.103 -10.980 3.731 1.00 0.00 H new ATOM 0 HB THR A 8 -5.125 -10.997 0.719 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.399 -11.572 0.869 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.809 -13.337 1.072 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.286 -12.962 1.912 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.807 -13.068 2.831 1.00 0.00 H new ATOM 103 N PRO A 9 -2.640 -10.473 3.541 1.00 0.00 N ATOM 104 CA PRO A 9 -1.194 -10.320 3.415 1.00 0.00 C ATOM 105 C PRO A 9 -0.531 -11.519 2.748 1.00 0.00 C ATOM 106 O PRO A 9 -1.029 -12.643 2.818 1.00 0.00 O ATOM 107 CB PRO A 9 -0.736 -10.190 4.865 1.00 0.00 C ATOM 108 CG PRO A 9 -1.728 -10.977 5.651 1.00 0.00 C ATOM 109 CD PRO A 9 -3.036 -10.880 4.906 1.00 0.00 C ATOM 0 HA PRO A 9 -0.925 -9.472 2.785 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.273 -10.581 4.997 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.718 -9.147 5.182 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.412 -12.016 5.746 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.826 -10.580 6.661 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.564 -11.833 4.901 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.703 -10.149 5.363 1.00 0.00 H new ATOM 117 N SER A 10 0.588 -11.268 2.084 1.00 0.00 N ATOM 118 CA SER A 10 1.332 -12.318 1.413 1.00 0.00 C ATOM 119 C SER A 10 2.448 -12.833 2.315 1.00 0.00 C ATOM 120 O SER A 10 3.567 -12.319 2.299 1.00 0.00 O ATOM 121 CB SER A 10 1.910 -11.788 0.099 1.00 0.00 C ATOM 122 OG SER A 10 0.940 -11.040 -0.616 1.00 0.00 O ATOM 0 H SER A 10 1.001 -10.339 1.997 1.00 0.00 H new ATOM 0 HA SER A 10 0.657 -13.145 1.192 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.778 -11.162 0.305 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.256 -12.621 -0.513 1.00 0.00 H new ATOM 0 HG SER A 10 1.275 -10.846 -1.516 1.00 0.00 H new ATOM 128 N SER A 11 2.128 -13.826 3.126 1.00 0.00 N ATOM 129 CA SER A 11 3.099 -14.414 4.029 1.00 0.00 C ATOM 130 C SER A 11 3.474 -15.816 3.563 1.00 0.00 C ATOM 131 O SER A 11 2.687 -16.753 3.675 1.00 0.00 O ATOM 132 CB SER A 11 2.535 -14.449 5.446 1.00 0.00 C ATOM 133 OG SER A 11 2.098 -13.159 5.842 1.00 0.00 O ATOM 0 H SER A 11 1.199 -14.243 3.177 1.00 0.00 H new ATOM 0 HA SER A 11 4.001 -13.803 4.028 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.703 -15.151 5.495 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.297 -14.809 6.138 1.00 0.00 H new ATOM 0 HG SER A 11 1.738 -13.201 6.752 1.00 0.00 H new ATOM 139 N GLY A 12 4.672 -15.940 3.011 1.00 0.00 N ATOM 140 CA GLY A 12 5.146 -17.221 2.525 1.00 0.00 C ATOM 141 C GLY A 12 5.045 -17.325 1.020 1.00 0.00 C ATOM 142 O GLY A 12 5.661 -18.192 0.401 1.00 0.00 O ATOM 0 H GLY A 12 5.330 -15.170 2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.183 -17.364 2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.565 -18.021 2.984 1.00 0.00 H new ATOM 146 N LEU A 13 4.275 -16.427 0.430 1.00 0.00 N ATOM 147 CA LEU A 13 4.077 -16.411 -1.010 1.00 0.00 C ATOM 148 C LEU A 13 5.206 -15.645 -1.683 1.00 0.00 C ATOM 149 O LEU A 13 5.847 -14.807 -1.056 1.00 0.00 O ATOM 150 CB LEU A 13 2.730 -15.768 -1.348 1.00 0.00 C ATOM 151 CG LEU A 13 1.565 -16.189 -0.443 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.318 -15.372 -0.750 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.282 -17.677 -0.600 1.00 0.00 C ATOM 0 H LEU A 13 3.773 -15.694 0.930 1.00 0.00 H new ATOM 0 HA LEU A 13 4.079 -17.437 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.838 -14.685 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.476 -16.013 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 13 1.849 -15.997 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.494 -15.688 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.526 -14.315 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.028 -15.527 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.453 -17.960 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.021 -17.890 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.169 -18.247 -0.324 1.00 0.00 H new ATOM 165 N SER A 14 5.454 -15.942 -2.949 1.00 0.00 N ATOM 166 CA SER A 14 6.507 -15.274 -3.696 1.00 0.00 C ATOM 167 C SER A 14 6.012 -13.931 -4.235 1.00 0.00 C ATOM 168 O SER A 14 4.869 -13.539 -3.997 1.00 0.00 O ATOM 169 CB SER A 14 6.988 -16.167 -4.847 1.00 0.00 C ATOM 170 OG SER A 14 7.363 -17.455 -4.376 1.00 0.00 O ATOM 0 H SER A 14 4.939 -16.643 -3.481 1.00 0.00 H new ATOM 0 HA SER A 14 7.345 -15.087 -3.024 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.197 -16.265 -5.590 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.836 -15.698 -5.345 1.00 0.00 H new ATOM 0 HG SER A 14 7.664 -18.004 -5.130 1.00 0.00 H new ATOM 176 N ASP A 15 6.873 -13.223 -4.948 1.00 0.00 N ATOM 177 CA ASP A 15 6.508 -11.938 -5.519 1.00 0.00 C ATOM 178 C ASP A 15 5.605 -12.147 -6.726 1.00 0.00 C ATOM 179 O ASP A 15 5.575 -13.232 -7.310 1.00 0.00 O ATOM 180 CB ASP A 15 7.755 -11.145 -5.917 1.00 0.00 C ATOM 181 CG ASP A 15 8.628 -11.889 -6.904 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.280 -12.877 -6.501 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.679 -11.485 -8.083 1.00 0.00 O ATOM 0 H ASP A 15 7.830 -13.517 -5.145 1.00 0.00 H new ATOM 0 HA ASP A 15 5.969 -11.363 -4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.452 -10.193 -6.352 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.336 -10.917 -5.024 1.00 0.00 H new ATOM 188 N GLY A 16 4.862 -11.114 -7.091 1.00 0.00 N ATOM 189 CA GLY A 16 3.947 -11.213 -8.211 1.00 0.00 C ATOM 190 C GLY A 16 2.560 -11.611 -7.756 1.00 0.00 C ATOM 191 O GLY A 16 1.610 -11.589 -8.536 1.00 0.00 O ATOM 0 H GLY A 16 4.876 -10.204 -6.630 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.901 -10.256 -8.731 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.322 -11.946 -8.925 1.00 0.00 H new ATOM 195 N THR A 17 2.455 -11.981 -6.489 1.00 0.00 N ATOM 196 CA THR A 17 1.190 -12.388 -5.902 1.00 0.00 C ATOM 197 C THR A 17 0.234 -11.202 -5.780 1.00 0.00 C ATOM 198 O THR A 17 0.659 -10.063 -5.560 1.00 0.00 O ATOM 199 CB THR A 17 1.427 -13.021 -4.516 1.00 0.00 C ATOM 200 OG1 THR A 17 2.402 -14.066 -4.624 1.00 0.00 O ATOM 201 CG2 THR A 17 0.140 -13.582 -3.926 1.00 0.00 C ATOM 0 H THR A 17 3.242 -12.007 -5.841 1.00 0.00 H new ATOM 0 HA THR A 17 0.733 -13.127 -6.560 1.00 0.00 H new ATOM 0 HB THR A 17 1.789 -12.239 -3.848 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.259 -13.751 -4.269 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.348 -14.019 -2.949 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.590 -12.780 -3.816 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.260 -14.349 -4.589 1.00 0.00 H new ATOM 209 N VAL A 18 -1.053 -11.478 -5.947 1.00 0.00 N ATOM 210 CA VAL A 18 -2.080 -10.453 -5.864 1.00 0.00 C ATOM 211 C VAL A 18 -2.490 -10.210 -4.415 1.00 0.00 C ATOM 212 O VAL A 18 -3.038 -11.095 -3.754 1.00 0.00 O ATOM 213 CB VAL A 18 -3.327 -10.839 -6.687 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.340 -9.706 -6.681 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.935 -11.209 -8.112 1.00 0.00 C ATOM 0 H VAL A 18 -1.411 -12.413 -6.142 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.655 -9.538 -6.277 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.789 -11.712 -6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.213 -9.995 -7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.644 -9.495 -5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.891 -8.814 -7.117 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.828 -11.478 -8.677 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.447 -10.358 -8.588 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.249 -12.056 -8.092 1.00 0.00 H new ATOM 225 N VAL A 19 -2.209 -9.013 -3.926 1.00 0.00 N ATOM 226 CA VAL A 19 -2.560 -8.640 -2.561 1.00 0.00 C ATOM 227 C VAL A 19 -3.946 -8.002 -2.542 1.00 0.00 C ATOM 228 O VAL A 19 -4.205 -7.054 -3.282 1.00 0.00 O ATOM 229 CB VAL A 19 -1.543 -7.649 -1.955 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.879 -7.362 -0.496 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.128 -8.192 -2.088 1.00 0.00 C ATOM 0 H VAL A 19 -1.737 -8.279 -4.454 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.550 -9.549 -1.960 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.602 -6.711 -2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.151 -6.662 -0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.877 -6.928 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.850 -8.291 0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.577 -7.481 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.052 -9.143 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.107 -8.341 -3.142 1.00 0.00 H new ATOM 241 N LYS A 20 -4.826 -8.519 -1.699 1.00 0.00 N ATOM 242 CA LYS A 20 -6.180 -8.002 -1.604 1.00 0.00 C ATOM 243 C LYS A 20 -6.322 -7.051 -0.422 1.00 0.00 C ATOM 244 O LYS A 20 -6.016 -7.408 0.717 1.00 0.00 O ATOM 245 CB LYS A 20 -7.175 -9.155 -1.476 1.00 0.00 C ATOM 246 CG LYS A 20 -8.624 -8.708 -1.418 1.00 0.00 C ATOM 247 CD LYS A 20 -9.570 -9.886 -1.251 1.00 0.00 C ATOM 248 CE LYS A 20 -9.559 -10.794 -2.469 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.583 -11.865 -2.367 1.00 0.00 N ATOM 0 H LYS A 20 -4.626 -9.297 -1.071 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.396 -7.444 -2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.046 -9.830 -2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.944 -9.724 -0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.758 -8.014 -0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.875 -8.167 -2.330 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.286 -10.458 -0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.582 -9.519 -1.080 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.741 -10.202 -3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.572 -11.244 -2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.545 -12.464 -3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.395 -12.446 -1.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.527 -11.436 -2.288 1.00 0.00 H new ATOM 263 N VAL A 21 -6.775 -5.839 -0.700 1.00 0.00 N ATOM 264 CA VAL A 21 -6.967 -4.835 0.332 1.00 0.00 C ATOM 265 C VAL A 21 -8.413 -4.348 0.324 1.00 0.00 C ATOM 266 O VAL A 21 -8.851 -3.689 -0.622 1.00 0.00 O ATOM 267 CB VAL A 21 -6.007 -3.636 0.137 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.276 -2.547 1.166 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.556 -4.097 0.205 1.00 0.00 C ATOM 0 H VAL A 21 -7.018 -5.526 -1.640 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.743 -5.295 1.294 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.188 -3.214 -0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.588 -1.717 1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.302 -2.193 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.132 -2.950 2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.895 -3.241 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.363 -4.550 1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.370 -4.830 -0.580 1.00 0.00 H new ATOM 279 N ALA A 22 -9.157 -4.692 1.371 1.00 0.00 N ATOM 280 CA ALA A 22 -10.554 -4.298 1.475 1.00 0.00 C ATOM 281 C ALA A 22 -10.823 -3.580 2.790 1.00 0.00 C ATOM 282 O ALA A 22 -10.779 -4.185 3.862 1.00 0.00 O ATOM 283 CB ALA A 22 -11.455 -5.518 1.344 1.00 0.00 C ATOM 0 H ALA A 22 -8.814 -5.243 2.158 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.774 -3.607 0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.498 -5.210 1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.289 -5.991 0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.224 -6.228 2.139 1.00 0.00 H new ATOM 289 N GLY A 23 -11.097 -2.290 2.702 1.00 0.00 N ATOM 290 CA GLY A 23 -11.381 -1.508 3.885 1.00 0.00 C ATOM 291 C GLY A 23 -12.821 -1.054 3.922 1.00 0.00 C ATOM 292 O GLY A 23 -13.284 -0.382 3.000 1.00 0.00 O ATOM 0 H GLY A 23 -11.128 -1.767 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.163 -2.100 4.774 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.724 -0.638 3.913 1.00 0.00 H new ATOM 296 N ALA A 24 -13.535 -1.437 4.967 1.00 0.00 N ATOM 297 CA ALA A 24 -14.931 -1.066 5.115 1.00 0.00 C ATOM 298 C ALA A 24 -15.135 -0.258 6.390 1.00 0.00 C ATOM 299 O ALA A 24 -14.317 -0.318 7.313 1.00 0.00 O ATOM 300 CB ALA A 24 -15.809 -2.307 5.116 1.00 0.00 C ATOM 0 H ALA A 24 -13.168 -2.008 5.729 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.219 -0.443 4.268 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.853 -2.014 5.228 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.681 -2.844 4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.523 -2.954 5.945 1.00 0.00 H new ATOM 306 N GLY A 25 -16.224 0.495 6.440 1.00 0.00 N ATOM 307 CA GLY A 25 -16.505 1.320 7.596 1.00 0.00 C ATOM 308 C GLY A 25 -15.701 2.601 7.571 1.00 0.00 C ATOM 309 O GLY A 25 -15.414 3.193 8.612 1.00 0.00 O ATOM 0 H GLY A 25 -16.921 0.549 5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.568 1.557 7.625 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.277 0.764 8.505 1.00 0.00 H new ATOM 313 N LEU A 26 -15.341 3.030 6.369 1.00 0.00 N ATOM 314 CA LEU A 26 -14.550 4.238 6.191 1.00 0.00 C ATOM 315 C LEU A 26 -15.434 5.389 5.711 1.00 0.00 C ATOM 316 O LEU A 26 -16.658 5.254 5.643 1.00 0.00 O ATOM 317 CB LEU A 26 -13.421 3.979 5.188 1.00 0.00 C ATOM 318 CG LEU A 26 -12.529 2.769 5.496 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.471 2.595 4.416 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.874 2.911 6.866 1.00 0.00 C ATOM 0 H LEU A 26 -15.586 2.556 5.500 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.114 4.517 7.150 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.861 3.842 4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.793 4.868 5.137 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.159 1.880 5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.848 1.732 4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.957 2.439 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.849 3.489 4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.247 2.041 7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.261 3.812 6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.646 2.981 7.633 1.00 0.00 H new ATOM 332 N GLN A 27 -14.813 6.517 5.385 1.00 0.00 N ATOM 333 CA GLN A 27 -15.546 7.684 4.915 1.00 0.00 C ATOM 334 C GLN A 27 -15.873 7.547 3.432 1.00 0.00 C ATOM 335 O GLN A 27 -14.976 7.459 2.598 1.00 0.00 O ATOM 336 CB GLN A 27 -14.729 8.958 5.156 1.00 0.00 C ATOM 337 CG GLN A 27 -15.566 10.227 5.175 1.00 0.00 C ATOM 338 CD GLN A 27 -16.585 10.234 6.300 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.358 9.665 7.367 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.720 10.869 6.068 1.00 0.00 N ATOM 0 H GLN A 27 -13.803 6.647 5.438 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.479 7.752 5.474 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.202 8.867 6.106 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.971 9.045 4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.909 11.090 5.279 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.082 10.332 4.221 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.873 11.329 5.171 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.444 10.899 6.786 1.00 0.00 H new ATOM 349 N ALA A 28 -17.157 7.528 3.110 1.00 0.00 N ATOM 350 CA ALA A 28 -17.595 7.393 1.728 1.00 0.00 C ATOM 351 C ALA A 28 -17.242 8.633 0.914 1.00 0.00 C ATOM 352 O ALA A 28 -17.454 9.764 1.356 1.00 0.00 O ATOM 353 CB ALA A 28 -19.093 7.130 1.672 1.00 0.00 C ATOM 0 H ALA A 28 -17.916 7.604 3.787 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.071 6.544 1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.406 7.031 0.633 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.321 6.209 2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.626 7.961 2.134 1.00 0.00 H new ATOM 359 N GLY A 29 -16.698 8.416 -0.271 1.00 0.00 N ATOM 360 CA GLY A 29 -16.340 9.525 -1.130 1.00 0.00 C ATOM 361 C GLY A 29 -14.892 9.948 -0.988 1.00 0.00 C ATOM 362 O GLY A 29 -14.566 11.124 -1.148 1.00 0.00 O ATOM 0 H GLY A 29 -16.497 7.492 -0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.531 9.249 -2.167 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.984 10.375 -0.903 1.00 0.00 H new ATOM 366 N THR A 30 -14.021 9.000 -0.680 1.00 0.00 N ATOM 367 CA THR A 30 -12.601 9.294 -0.529 1.00 0.00 C ATOM 368 C THR A 30 -11.761 8.283 -1.297 1.00 0.00 C ATOM 369 O THR A 30 -12.104 7.100 -1.354 1.00 0.00 O ATOM 370 CB THR A 30 -12.168 9.293 0.955 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.657 8.120 1.617 1.00 0.00 O ATOM 372 CG2 THR A 30 -12.680 10.532 1.677 1.00 0.00 C ATOM 0 H THR A 30 -14.270 8.022 -0.530 1.00 0.00 H new ATOM 0 HA THR A 30 -12.437 10.292 -0.935 1.00 0.00 H new ATOM 0 HB THR A 30 -11.078 9.298 0.982 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.606 8.237 1.831 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.360 10.504 2.719 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.278 11.425 1.198 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.769 10.555 1.632 1.00 0.00 H new ATOM 380 N ALA A 31 -10.680 8.755 -1.903 1.00 0.00 N ATOM 381 CA ALA A 31 -9.789 7.887 -2.659 1.00 0.00 C ATOM 382 C ALA A 31 -8.546 7.569 -1.839 1.00 0.00 C ATOM 383 O ALA A 31 -7.943 8.461 -1.237 1.00 0.00 O ATOM 384 CB ALA A 31 -9.415 8.528 -3.986 1.00 0.00 C ATOM 0 H ALA A 31 -10.399 9.735 -1.885 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.309 6.953 -2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.749 7.864 -4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.317 8.704 -4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.911 9.477 -3.802 1.00 0.00 H new ATOM 390 N TYR A 32 -8.169 6.301 -1.821 1.00 0.00 N ATOM 391 CA TYR A 32 -7.015 5.857 -1.056 1.00 0.00 C ATOM 392 C TYR A 32 -5.878 5.430 -1.967 1.00 0.00 C ATOM 393 O TYR A 32 -6.091 4.770 -2.986 1.00 0.00 O ATOM 394 CB TYR A 32 -7.409 4.700 -0.134 1.00 0.00 C ATOM 395 CG TYR A 32 -8.597 5.018 0.743 1.00 0.00 C ATOM 396 CD1 TYR A 32 -8.477 5.891 1.819 1.00 0.00 C ATOM 397 CD2 TYR A 32 -9.844 4.462 0.486 1.00 0.00 C ATOM 398 CE1 TYR A 32 -9.564 6.199 2.612 1.00 0.00 C ATOM 399 CE2 TYR A 32 -10.936 4.764 1.278 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.791 5.633 2.338 1.00 0.00 C ATOM 401 OH TYR A 32 -11.876 5.942 3.128 1.00 0.00 O ATOM 0 H TYR A 32 -8.648 5.558 -2.330 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.668 6.697 -0.454 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.637 3.823 -0.739 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.559 4.440 0.497 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.517 6.335 2.038 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -9.962 3.783 -0.346 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.454 6.880 3.443 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -11.898 4.321 1.067 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.323 6.738 2.773 1.00 0.00 H new ATOM 411 N ASP A 33 -4.669 5.806 -1.578 1.00 0.00 N ATOM 412 CA ASP A 33 -3.469 5.470 -2.328 1.00 0.00 C ATOM 413 C ASP A 33 -2.900 4.168 -1.784 1.00 0.00 C ATOM 414 O ASP A 33 -2.095 4.168 -0.852 1.00 0.00 O ATOM 415 CB ASP A 33 -2.438 6.594 -2.205 1.00 0.00 C ATOM 416 CG ASP A 33 -1.695 6.858 -3.498 1.00 0.00 C ATOM 417 OD1 ASP A 33 -2.213 7.624 -4.337 1.00 0.00 O ATOM 418 OD2 ASP A 33 -0.583 6.321 -3.673 1.00 0.00 O ATOM 0 H ASP A 33 -4.493 6.352 -0.735 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.715 5.349 -3.383 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.941 7.508 -1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.720 6.338 -1.426 1.00 0.00 H new ATOM 423 N VAL A 34 -3.346 3.055 -2.349 1.00 0.00 N ATOM 424 CA VAL A 34 -2.912 1.743 -1.890 1.00 0.00 C ATOM 425 C VAL A 34 -1.795 1.171 -2.753 1.00 0.00 C ATOM 426 O VAL A 34 -1.928 1.050 -3.974 1.00 0.00 O ATOM 427 CB VAL A 34 -4.087 0.742 -1.860 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.727 -0.481 -1.034 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.351 1.402 -1.324 1.00 0.00 C ATOM 0 H VAL A 34 -4.007 3.034 -3.125 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.530 1.887 -0.879 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.283 0.419 -2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.568 -1.174 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.857 -0.971 -1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.498 -0.176 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.164 0.676 -1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.172 1.762 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.623 2.241 -1.964 1.00 0.00 H new ATOM 439 N GLY A 35 -0.695 0.817 -2.099 1.00 0.00 N ATOM 440 CA GLY A 35 0.439 0.241 -2.786 1.00 0.00 C ATOM 441 C GLY A 35 1.321 -0.524 -1.825 1.00 0.00 C ATOM 442 O GLY A 35 1.075 -0.517 -0.618 1.00 0.00 O ATOM 0 H GLY A 35 -0.571 0.922 -1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.091 -0.425 -3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.017 1.030 -3.267 1.00 0.00 H new ATOM 446 N GLN A 36 2.345 -1.188 -2.333 1.00 0.00 N ATOM 447 CA GLN A 36 3.245 -1.940 -1.470 1.00 0.00 C ATOM 448 C GLN A 36 4.266 -1.003 -0.833 1.00 0.00 C ATOM 449 O GLN A 36 5.461 -1.076 -1.109 1.00 0.00 O ATOM 450 CB GLN A 36 3.946 -3.059 -2.241 1.00 0.00 C ATOM 451 CG GLN A 36 4.546 -2.615 -3.564 1.00 0.00 C ATOM 452 CD GLN A 36 5.467 -3.653 -4.173 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.549 -3.789 -5.391 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.175 -4.390 -3.329 1.00 0.00 N ATOM 0 H GLN A 36 2.574 -1.223 -3.326 1.00 0.00 H new ATOM 0 HA GLN A 36 2.653 -2.403 -0.681 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.736 -3.476 -1.617 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.231 -3.860 -2.428 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.742 -2.394 -4.266 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.101 -1.689 -3.413 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.080 -4.247 -2.324 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.815 -5.100 -3.685 1.00 0.00 H new ATOM 463 N CYS A 37 3.768 -0.102 0.000 1.00 0.00 N ATOM 464 CA CYS A 37 4.605 0.867 0.689 1.00 0.00 C ATOM 465 C CYS A 37 5.508 0.182 1.707 1.00 0.00 C ATOM 466 O CYS A 37 5.075 -0.145 2.811 1.00 0.00 O ATOM 467 CB CYS A 37 3.731 1.914 1.385 1.00 0.00 C ATOM 468 SG CYS A 37 2.264 2.408 0.422 1.00 0.00 S ATOM 0 H CYS A 37 2.774 -0.022 0.217 1.00 0.00 H new ATOM 0 HA CYS A 37 5.236 1.360 -0.051 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.406 1.520 2.348 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.334 2.799 1.590 1.00 0.00 H new ATOM 473 N ALA A 38 6.756 -0.036 1.322 1.00 0.00 N ATOM 474 CA ALA A 38 7.724 -0.679 2.195 1.00 0.00 C ATOM 475 C ALA A 38 8.740 0.333 2.696 1.00 0.00 C ATOM 476 O ALA A 38 8.717 1.495 2.286 1.00 0.00 O ATOM 477 CB ALA A 38 8.419 -1.824 1.475 1.00 0.00 C ATOM 0 H ALA A 38 7.123 0.224 0.407 1.00 0.00 H new ATOM 0 HA ALA A 38 7.193 -1.089 3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.139 -2.292 2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.679 -2.562 1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.938 -1.440 0.596 1.00 0.00 H new ATOM 483 N TRP A 39 9.622 -0.109 3.581 1.00 0.00 N ATOM 484 CA TRP A 39 10.648 0.758 4.148 1.00 0.00 C ATOM 485 C TRP A 39 11.618 1.253 3.079 1.00 0.00 C ATOM 486 O TRP A 39 12.418 0.487 2.546 1.00 0.00 O ATOM 487 CB TRP A 39 11.416 0.019 5.246 1.00 0.00 C ATOM 488 CG TRP A 39 10.844 0.221 6.616 1.00 0.00 C ATOM 489 CD1 TRP A 39 9.527 0.166 6.973 1.00 0.00 C ATOM 490 CD2 TRP A 39 11.572 0.510 7.815 1.00 0.00 C ATOM 491 NE1 TRP A 39 9.392 0.410 8.318 1.00 0.00 N ATOM 492 CE2 TRP A 39 10.634 0.621 8.857 1.00 0.00 C ATOM 493 CE3 TRP A 39 12.929 0.686 8.107 1.00 0.00 C ATOM 494 CZ2 TRP A 39 11.008 0.897 10.170 1.00 0.00 C ATOM 495 CZ3 TRP A 39 13.298 0.962 9.409 1.00 0.00 C ATOM 496 CH2 TRP A 39 12.342 1.066 10.425 1.00 0.00 C ATOM 0 H TRP A 39 9.648 -1.069 3.924 1.00 0.00 H new ATOM 0 HA TRP A 39 10.148 1.626 4.577 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.424 -1.047 5.018 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.453 0.354 5.241 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.711 -0.039 6.296 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.511 0.431 8.832 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.674 0.608 7.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.273 0.975 10.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 14.342 1.100 9.647 1.00 0.00 H new ATOM 0 HH2 TRP A 39 12.664 1.284 11.433 1.00 0.00 H new ATOM 507 N VAL A 40 11.537 2.541 2.771 1.00 0.00 N ATOM 508 CA VAL A 40 12.408 3.148 1.776 1.00 0.00 C ATOM 509 C VAL A 40 13.590 3.835 2.469 1.00 0.00 C ATOM 510 O VAL A 40 14.651 4.046 1.874 1.00 0.00 O ATOM 511 CB VAL A 40 11.635 4.161 0.888 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.278 5.425 1.661 1.00 0.00 C ATOM 513 CG2 VAL A 40 12.430 4.501 -0.365 1.00 0.00 C ATOM 0 H VAL A 40 10.874 3.187 3.199 1.00 0.00 H new ATOM 0 HA VAL A 40 12.783 2.359 1.124 1.00 0.00 H new ATOM 0 HB VAL A 40 10.702 3.686 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.738 6.111 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.650 5.165 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.190 5.905 2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.868 5.212 -0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.386 4.942 -0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.606 3.593 -0.942 1.00 0.00 H new ATOM 523 N ASP A 41 13.396 4.154 3.741 1.00 0.00 N ATOM 524 CA ASP A 41 14.416 4.805 4.553 1.00 0.00 C ATOM 525 C ASP A 41 14.228 4.387 6.009 1.00 0.00 C ATOM 526 O ASP A 41 13.402 3.520 6.300 1.00 0.00 O ATOM 527 CB ASP A 41 14.329 6.333 4.414 1.00 0.00 C ATOM 528 CG ASP A 41 15.671 7.019 4.590 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.158 7.098 5.734 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.244 7.490 3.581 1.00 0.00 O ATOM 0 H ASP A 41 12.526 3.969 4.240 1.00 0.00 H new ATOM 0 HA ASP A 41 15.404 4.498 4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.926 6.581 3.432 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.629 6.721 5.154 1.00 0.00 H new ATOM 535 N THR A 42 14.972 4.998 6.918 1.00 0.00 N ATOM 536 CA THR A 42 14.879 4.665 8.332 1.00 0.00 C ATOM 537 C THR A 42 13.576 5.179 8.944 1.00 0.00 C ATOM 538 O THR A 42 13.519 6.287 9.472 1.00 0.00 O ATOM 539 CB THR A 42 16.070 5.247 9.110 1.00 0.00 C ATOM 540 OG1 THR A 42 17.242 5.233 8.281 1.00 0.00 O ATOM 541 CG2 THR A 42 16.328 4.452 10.380 1.00 0.00 C ATOM 0 H THR A 42 15.649 5.729 6.701 1.00 0.00 H new ATOM 0 HA THR A 42 14.895 3.578 8.407 1.00 0.00 H new ATOM 0 HB THR A 42 15.832 6.273 9.390 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.999 5.606 8.779 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.175 4.883 10.913 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.444 4.486 11.016 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.550 3.417 10.122 1.00 0.00 H new ATOM 549 N GLY A 43 12.528 4.375 8.845 1.00 0.00 N ATOM 550 CA GLY A 43 11.243 4.755 9.397 1.00 0.00 C ATOM 551 C GLY A 43 10.325 5.335 8.348 1.00 0.00 C ATOM 552 O GLY A 43 9.131 5.514 8.584 1.00 0.00 O ATOM 0 H GLY A 43 12.544 3.462 8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.771 3.883 9.850 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.392 5.486 10.192 1.00 0.00 H new ATOM 556 N VAL A 44 10.885 5.621 7.183 1.00 0.00 N ATOM 557 CA VAL A 44 10.119 6.185 6.086 1.00 0.00 C ATOM 558 C VAL A 44 9.744 5.091 5.100 1.00 0.00 C ATOM 559 O VAL A 44 10.595 4.306 4.680 1.00 0.00 O ATOM 560 CB VAL A 44 10.907 7.286 5.342 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.013 8.012 4.346 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.522 8.268 6.328 1.00 0.00 C ATOM 0 H VAL A 44 11.872 5.470 6.974 1.00 0.00 H new ATOM 0 HA VAL A 44 9.221 6.634 6.511 1.00 0.00 H new ATOM 0 HB VAL A 44 11.715 6.808 4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.589 8.783 3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.630 7.300 3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.179 8.474 4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.072 9.035 5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.732 8.737 6.915 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.203 7.737 6.994 1.00 0.00 H new ATOM 572 N LEU A 45 8.471 5.028 4.749 1.00 0.00 N ATOM 573 CA LEU A 45 7.988 4.032 3.808 1.00 0.00 C ATOM 574 C LEU A 45 7.635 4.690 2.485 1.00 0.00 C ATOM 575 O LEU A 45 7.468 5.905 2.422 1.00 0.00 O ATOM 576 CB LEU A 45 6.768 3.305 4.375 1.00 0.00 C ATOM 577 CG LEU A 45 7.043 2.423 5.597 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.899 3.220 6.884 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.109 1.225 5.607 1.00 0.00 C ATOM 0 H LEU A 45 7.751 5.657 5.103 1.00 0.00 H new ATOM 0 HA LEU A 45 8.780 3.302 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.016 4.047 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.337 2.685 3.589 1.00 0.00 H new ATOM 0 HG LEU A 45 8.070 2.063 5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.099 2.572 7.737 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.609 4.047 6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.885 3.613 6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.317 0.609 6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.076 1.570 5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.263 0.636 4.703 1.00 0.00 H new ATOM 591 N ALA A 46 7.549 3.893 1.432 1.00 0.00 N ATOM 592 CA ALA A 46 7.211 4.401 0.111 1.00 0.00 C ATOM 593 C ALA A 46 6.656 3.289 -0.768 1.00 0.00 C ATOM 594 O ALA A 46 7.080 2.139 -0.665 1.00 0.00 O ATOM 595 CB ALA A 46 8.432 5.033 -0.536 1.00 0.00 C ATOM 0 H ALA A 46 7.709 2.886 1.467 1.00 0.00 H new ATOM 0 HA ALA A 46 6.440 5.163 0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.166 5.409 -1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.786 5.857 0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.220 4.286 -0.632 1.00 0.00 H new ATOM 601 N CYS A 47 5.700 3.637 -1.617 1.00 0.00 N ATOM 602 CA CYS A 47 5.073 2.670 -2.513 1.00 0.00 C ATOM 603 C CYS A 47 5.417 2.993 -3.961 1.00 0.00 C ATOM 604 O CYS A 47 5.843 4.104 -4.261 1.00 0.00 O ATOM 605 CB CYS A 47 3.556 2.682 -2.316 1.00 0.00 C ATOM 606 SG CYS A 47 2.996 3.732 -0.935 1.00 0.00 S ATOM 0 H CYS A 47 5.338 4.587 -1.706 1.00 0.00 H new ATOM 0 HA CYS A 47 5.452 1.675 -2.278 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.083 3.026 -3.236 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.214 1.661 -2.145 1.00 0.00 H new ATOM 611 N ASN A 48 5.240 2.028 -4.850 1.00 0.00 N ATOM 612 CA ASN A 48 5.545 2.226 -6.262 1.00 0.00 C ATOM 613 C ASN A 48 4.299 2.614 -7.043 1.00 0.00 C ATOM 614 O ASN A 48 3.313 1.875 -7.074 1.00 0.00 O ATOM 615 CB ASN A 48 6.175 0.965 -6.872 1.00 0.00 C ATOM 616 CG ASN A 48 5.359 -0.300 -6.652 1.00 0.00 C ATOM 617 OD1 ASN A 48 4.592 -0.413 -5.696 1.00 0.00 O ATOM 618 ND2 ASN A 48 5.537 -1.270 -7.530 1.00 0.00 N ATOM 0 H ASN A 48 4.887 1.099 -4.621 1.00 0.00 H new ATOM 0 HA ASN A 48 6.264 3.042 -6.329 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.307 1.119 -7.943 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.168 0.824 -6.445 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.030 -2.149 -7.428 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.181 -1.140 -8.310 1.00 0.00 H new ATOM 625 N PRO A 49 4.341 3.768 -7.724 1.00 0.00 N ATOM 626 CA PRO A 49 3.217 4.266 -8.511 1.00 0.00 C ATOM 627 C PRO A 49 3.094 3.539 -9.847 1.00 0.00 C ATOM 628 O PRO A 49 2.295 3.915 -10.703 1.00 0.00 O ATOM 629 CB PRO A 49 3.566 5.736 -8.725 1.00 0.00 C ATOM 630 CG PRO A 49 5.053 5.770 -8.729 1.00 0.00 C ATOM 631 CD PRO A 49 5.498 4.682 -7.782 1.00 0.00 C ATOM 0 HA PRO A 49 2.259 4.114 -8.014 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.158 6.108 -9.665 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.157 6.361 -7.931 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.444 5.598 -9.732 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.422 6.743 -8.405 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.390 4.174 -8.148 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.740 5.083 -6.798 1.00 0.00 H new ATOM 639 N ALA A 50 3.892 2.493 -10.005 1.00 0.00 N ATOM 640 CA ALA A 50 3.894 1.704 -11.225 1.00 0.00 C ATOM 641 C ALA A 50 3.057 0.437 -11.068 1.00 0.00 C ATOM 642 O ALA A 50 2.721 -0.221 -12.053 1.00 0.00 O ATOM 643 CB ALA A 50 5.323 1.349 -11.604 1.00 0.00 C ATOM 0 H ALA A 50 4.551 2.170 -9.296 1.00 0.00 H new ATOM 0 HA ALA A 50 3.447 2.301 -12.020 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.320 0.757 -12.519 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.895 2.263 -11.764 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.780 0.772 -10.800 1.00 0.00 H new ATOM 649 N ASP A 51 2.716 0.093 -9.830 1.00 0.00 N ATOM 650 CA ASP A 51 1.923 -1.106 -9.575 1.00 0.00 C ATOM 651 C ASP A 51 0.866 -0.872 -8.500 1.00 0.00 C ATOM 652 O ASP A 51 0.212 -1.815 -8.048 1.00 0.00 O ATOM 653 CB ASP A 51 2.829 -2.267 -9.163 1.00 0.00 C ATOM 654 CG ASP A 51 2.773 -3.416 -10.147 1.00 0.00 C ATOM 655 OD1 ASP A 51 1.659 -3.894 -10.449 1.00 0.00 O ATOM 656 OD2 ASP A 51 3.843 -3.835 -10.641 1.00 0.00 O ATOM 0 H ASP A 51 2.973 0.620 -8.996 1.00 0.00 H new ATOM 0 HA ASP A 51 1.409 -1.356 -10.503 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.856 -1.912 -9.080 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.534 -2.622 -8.176 1.00 0.00 H new ATOM 661 N PHE A 52 0.690 0.381 -8.100 1.00 0.00 N ATOM 662 CA PHE A 52 -0.293 0.724 -7.079 1.00 0.00 C ATOM 663 C PHE A 52 -1.658 0.980 -7.720 1.00 0.00 C ATOM 664 O PHE A 52 -1.779 1.017 -8.948 1.00 0.00 O ATOM 665 CB PHE A 52 0.173 1.952 -6.279 1.00 0.00 C ATOM 666 CG PHE A 52 -0.325 3.268 -6.810 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.068 3.723 -8.056 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.184 4.048 -6.057 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.390 4.929 -8.545 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.646 5.256 -6.541 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.247 5.696 -7.784 1.00 0.00 C ATOM 0 H PHE A 52 1.214 1.176 -8.466 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.390 -0.116 -6.391 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.157 1.843 -5.246 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.263 1.969 -6.266 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.742 3.127 -8.653 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.497 3.709 -5.080 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.078 5.271 -9.521 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.319 5.855 -5.946 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.605 6.642 -8.163 1.00 0.00 H new ATOM 681 N SER A 53 -2.681 1.140 -6.895 1.00 0.00 N ATOM 682 CA SER A 53 -4.021 1.400 -7.390 1.00 0.00 C ATOM 683 C SER A 53 -4.782 2.315 -6.440 1.00 0.00 C ATOM 684 O SER A 53 -4.823 2.082 -5.230 1.00 0.00 O ATOM 685 CB SER A 53 -4.774 0.086 -7.584 1.00 0.00 C ATOM 686 OG SER A 53 -4.175 -0.695 -8.607 1.00 0.00 O ATOM 0 H SER A 53 -2.607 1.094 -5.879 1.00 0.00 H new ATOM 0 HA SER A 53 -3.940 1.904 -8.353 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.781 -0.475 -6.650 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.813 0.292 -7.840 1.00 0.00 H new ATOM 0 HG SER A 53 -4.673 -1.533 -8.713 1.00 0.00 H new ATOM 692 N SER A 54 -5.364 3.365 -6.995 1.00 0.00 N ATOM 693 CA SER A 54 -6.136 4.316 -6.213 1.00 0.00 C ATOM 694 C SER A 54 -7.609 3.913 -6.196 1.00 0.00 C ATOM 695 O SER A 54 -8.330 4.113 -7.173 1.00 0.00 O ATOM 696 CB SER A 54 -5.980 5.721 -6.797 1.00 0.00 C ATOM 697 OG SER A 54 -4.631 5.978 -7.156 1.00 0.00 O ATOM 0 H SER A 54 -5.316 3.581 -7.991 1.00 0.00 H new ATOM 0 HA SER A 54 -5.763 4.316 -5.189 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.619 5.827 -7.673 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.313 6.460 -6.068 1.00 0.00 H new ATOM 0 HG SER A 54 -4.036 5.413 -6.619 1.00 0.00 H new ATOM 703 N VAL A 55 -8.047 3.339 -5.089 1.00 0.00 N ATOM 704 CA VAL A 55 -9.429 2.906 -4.953 1.00 0.00 C ATOM 705 C VAL A 55 -10.231 3.939 -4.159 1.00 0.00 C ATOM 706 O VAL A 55 -9.709 4.556 -3.231 1.00 0.00 O ATOM 707 CB VAL A 55 -9.508 1.521 -4.270 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.038 1.588 -2.823 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.912 0.945 -4.358 1.00 0.00 C ATOM 0 H VAL A 55 -7.466 3.161 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.860 2.817 -5.950 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.836 0.852 -4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.106 0.598 -2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.004 1.930 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.667 2.284 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.937 -0.029 -3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.613 1.617 -3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.194 0.833 -5.405 1.00 0.00 H new ATOM 719 N THR A 56 -11.485 4.143 -4.534 1.00 0.00 N ATOM 720 CA THR A 56 -12.330 5.100 -3.842 1.00 0.00 C ATOM 721 C THR A 56 -13.417 4.387 -3.044 1.00 0.00 C ATOM 722 O THR A 56 -13.932 3.347 -3.463 1.00 0.00 O ATOM 723 CB THR A 56 -12.976 6.109 -4.825 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.797 7.047 -4.113 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.815 5.396 -5.873 1.00 0.00 C ATOM 0 H THR A 56 -11.937 3.660 -5.311 1.00 0.00 H new ATOM 0 HA THR A 56 -11.691 5.655 -3.156 1.00 0.00 H new ATOM 0 HB THR A 56 -12.169 6.642 -5.328 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.417 7.205 -3.224 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.255 6.130 -6.548 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.184 4.713 -6.441 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.609 4.833 -5.382 1.00 0.00 H new ATOM 733 N ALA A 57 -13.733 4.936 -1.878 1.00 0.00 N ATOM 734 CA ALA A 57 -14.771 4.376 -1.029 1.00 0.00 C ATOM 735 C ALA A 57 -16.125 4.533 -1.701 1.00 0.00 C ATOM 736 O ALA A 57 -16.535 5.651 -2.030 1.00 0.00 O ATOM 737 CB ALA A 57 -14.769 5.054 0.331 1.00 0.00 C ATOM 0 H ALA A 57 -13.283 5.770 -1.500 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.572 3.315 -0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.552 4.622 0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.801 4.905 0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.952 6.121 0.206 1.00 0.00 H new ATOM 743 N ASP A 58 -16.813 3.419 -1.899 1.00 0.00 N ATOM 744 CA ASP A 58 -18.117 3.421 -2.551 1.00 0.00 C ATOM 745 C ASP A 58 -19.190 4.049 -1.662 1.00 0.00 C ATOM 746 O ASP A 58 -18.893 4.579 -0.588 1.00 0.00 O ATOM 747 CB ASP A 58 -18.521 1.992 -2.966 1.00 0.00 C ATOM 748 CG ASP A 58 -18.685 1.023 -1.804 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.581 1.442 -0.635 1.00 0.00 O ATOM 750 OD2 ASP A 58 -18.924 -0.176 -2.068 1.00 0.00 O ATOM 0 H ASP A 58 -16.488 2.495 -1.616 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.035 4.033 -3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.459 2.039 -3.519 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.768 1.598 -3.648 1.00 0.00 H new ATOM 755 N ALA A 59 -20.435 3.982 -2.116 1.00 0.00 N ATOM 756 CA ALA A 59 -21.563 4.544 -1.376 1.00 0.00 C ATOM 757 C ALA A 59 -21.805 3.790 -0.072 1.00 0.00 C ATOM 758 O ALA A 59 -22.537 4.254 0.804 1.00 0.00 O ATOM 759 CB ALA A 59 -22.815 4.535 -2.240 1.00 0.00 C ATOM 0 H ALA A 59 -20.692 3.541 -2.999 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.318 5.575 -1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.648 4.956 -1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.643 5.132 -3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.052 3.510 -2.527 1.00 0.00 H new ATOM 765 N ASN A 60 -21.184 2.630 0.054 1.00 0.00 N ATOM 766 CA ASN A 60 -21.325 1.816 1.253 1.00 0.00 C ATOM 767 C ASN A 60 -20.243 2.179 2.254 1.00 0.00 C ATOM 768 O ASN A 60 -20.294 1.776 3.416 1.00 0.00 O ATOM 769 CB ASN A 60 -21.238 0.324 0.915 1.00 0.00 C ATOM 770 CG ASN A 60 -22.274 -0.116 -0.099 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.412 0.361 -0.102 1.00 0.00 O ATOM 772 ND2 ASN A 60 -21.886 -1.029 -0.970 1.00 0.00 N ATOM 0 H ASN A 60 -20.576 2.228 -0.660 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.305 2.014 1.688 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.243 0.102 0.529 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.362 -0.257 1.829 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.537 -1.366 -1.680 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.936 -1.398 -0.933 1.00 0.00 H new ATOM 779 N GLY A 61 -19.271 2.958 1.799 1.00 0.00 N ATOM 780 CA GLY A 61 -18.179 3.363 2.654 1.00 0.00 C ATOM 781 C GLY A 61 -17.098 2.312 2.702 1.00 0.00 C ATOM 782 O GLY A 61 -16.403 2.166 3.709 1.00 0.00 O ATOM 0 H GLY A 61 -19.222 3.318 0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.760 4.302 2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.553 3.549 3.661 1.00 0.00 H new ATOM 786 N SER A 62 -16.960 1.568 1.615 1.00 0.00 N ATOM 787 CA SER A 62 -15.968 0.515 1.541 1.00 0.00 C ATOM 788 C SER A 62 -15.141 0.617 0.262 1.00 0.00 C ATOM 789 O SER A 62 -15.630 1.080 -0.771 1.00 0.00 O ATOM 790 CB SER A 62 -16.666 -0.840 1.615 1.00 0.00 C ATOM 791 OG SER A 62 -17.998 -0.750 1.129 1.00 0.00 O ATOM 0 H SER A 62 -17.525 1.677 0.773 1.00 0.00 H new ATOM 0 HA SER A 62 -15.284 0.622 2.383 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.110 -1.573 1.030 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.674 -1.194 2.646 1.00 0.00 H new ATOM 0 HG SER A 62 -17.987 -0.435 0.201 1.00 0.00 H new ATOM 797 N ALA A 63 -13.887 0.199 0.346 1.00 0.00 N ATOM 798 CA ALA A 63 -12.993 0.229 -0.797 1.00 0.00 C ATOM 799 C ALA A 63 -12.172 -1.056 -0.863 1.00 0.00 C ATOM 800 O ALA A 63 -11.369 -1.332 0.027 1.00 0.00 O ATOM 801 CB ALA A 63 -12.078 1.441 -0.717 1.00 0.00 C ATOM 0 H ALA A 63 -13.466 -0.167 1.200 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.590 0.304 -1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.412 1.452 -1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.679 2.351 -0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.486 1.390 0.197 1.00 0.00 H new ATOM 807 N SER A 64 -12.390 -1.838 -1.906 1.00 0.00 N ATOM 808 CA SER A 64 -11.676 -3.094 -2.091 1.00 0.00 C ATOM 809 C SER A 64 -10.884 -3.074 -3.397 1.00 0.00 C ATOM 810 O SER A 64 -11.451 -2.862 -4.470 1.00 0.00 O ATOM 811 CB SER A 64 -12.667 -4.262 -2.098 1.00 0.00 C ATOM 812 OG SER A 64 -13.597 -4.157 -1.028 1.00 0.00 O ATOM 0 H SER A 64 -13.061 -1.625 -2.644 1.00 0.00 H new ATOM 0 HA SER A 64 -10.978 -3.221 -1.264 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.202 -4.282 -3.047 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.123 -5.203 -2.019 1.00 0.00 H new ATOM 0 HG SER A 64 -14.218 -4.915 -1.059 1.00 0.00 H new ATOM 818 N THR A 65 -9.578 -3.290 -3.301 1.00 0.00 N ATOM 819 CA THR A 65 -8.712 -3.287 -4.469 1.00 0.00 C ATOM 820 C THR A 65 -7.639 -4.373 -4.345 1.00 0.00 C ATOM 821 O THR A 65 -7.520 -5.021 -3.302 1.00 0.00 O ATOM 822 CB THR A 65 -8.053 -1.900 -4.669 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.423 -1.826 -5.953 1.00 0.00 O ATOM 824 CG2 THR A 65 -7.029 -1.610 -3.581 1.00 0.00 C ATOM 0 H THR A 65 -9.095 -3.470 -2.421 1.00 0.00 H new ATOM 0 HA THR A 65 -9.326 -3.501 -5.344 1.00 0.00 H new ATOM 0 HB THR A 65 -8.842 -1.150 -4.609 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.013 -0.943 -6.066 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.585 -0.629 -3.751 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.519 -1.623 -2.607 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.248 -2.370 -3.604 1.00 0.00 H new ATOM 832 N SER A 66 -6.878 -4.577 -5.408 1.00 0.00 N ATOM 833 CA SER A 66 -5.830 -5.583 -5.424 1.00 0.00 C ATOM 834 C SER A 66 -4.532 -4.995 -5.967 1.00 0.00 C ATOM 835 O SER A 66 -4.544 -4.229 -6.933 1.00 0.00 O ATOM 836 CB SER A 66 -6.271 -6.773 -6.270 1.00 0.00 C ATOM 837 OG SER A 66 -7.537 -7.249 -5.842 1.00 0.00 O ATOM 0 H SER A 66 -6.969 -4.053 -6.279 1.00 0.00 H new ATOM 0 HA SER A 66 -5.649 -5.921 -4.404 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.322 -6.481 -7.319 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.533 -7.571 -6.197 1.00 0.00 H new ATOM 0 HG SER A 66 -7.805 -8.011 -6.397 1.00 0.00 H new ATOM 843 N LEU A 67 -3.419 -5.355 -5.344 1.00 0.00 N ATOM 844 CA LEU A 67 -2.112 -4.847 -5.745 1.00 0.00 C ATOM 845 C LEU A 67 -1.174 -5.984 -6.110 1.00 0.00 C ATOM 846 O LEU A 67 -1.361 -7.117 -5.671 1.00 0.00 O ATOM 847 CB LEU A 67 -1.476 -4.030 -4.610 1.00 0.00 C ATOM 848 CG LEU A 67 -2.113 -2.669 -4.321 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.378 -1.915 -5.613 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.392 -2.833 -3.517 1.00 0.00 C ATOM 0 H LEU A 67 -3.394 -6.000 -4.555 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.265 -4.210 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.511 -4.626 -3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.424 -3.873 -4.848 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.412 -2.084 -3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.831 -0.950 -5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.438 -1.758 -6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.055 -2.495 -6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.828 -1.853 -3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.101 -3.440 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.166 -3.324 -2.570 1.00 0.00 H new ATOM 862 N THR A 68 -0.171 -5.674 -6.914 1.00 0.00 N ATOM 863 CA THR A 68 0.819 -6.655 -7.319 1.00 0.00 C ATOM 864 C THR A 68 2.147 -6.359 -6.627 1.00 0.00 C ATOM 865 O THR A 68 2.799 -5.357 -6.920 1.00 0.00 O ATOM 866 CB THR A 68 1.016 -6.648 -8.846 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.249 -6.818 -9.503 1.00 0.00 O ATOM 868 CG2 THR A 68 1.966 -7.753 -9.277 1.00 0.00 C ATOM 0 H THR A 68 -0.021 -4.742 -7.301 1.00 0.00 H new ATOM 0 HA THR A 68 0.462 -7.642 -7.026 1.00 0.00 H new ATOM 0 HB THR A 68 1.449 -5.689 -9.129 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.117 -6.811 -10.474 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.088 -7.726 -10.360 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.935 -7.607 -8.799 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.558 -8.720 -8.982 1.00 0.00 H new ATOM 876 N VAL A 69 2.533 -7.218 -5.697 1.00 0.00 N ATOM 877 CA VAL A 69 3.770 -7.028 -4.953 1.00 0.00 C ATOM 878 C VAL A 69 4.994 -7.411 -5.786 1.00 0.00 C ATOM 879 O VAL A 69 5.097 -8.527 -6.294 1.00 0.00 O ATOM 880 CB VAL A 69 3.763 -7.818 -3.621 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.497 -9.301 -3.849 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.067 -7.613 -2.873 1.00 0.00 C ATOM 0 H VAL A 69 2.008 -8.054 -5.439 1.00 0.00 H new ATOM 0 HA VAL A 69 3.834 -5.965 -4.720 1.00 0.00 H new ATOM 0 HB VAL A 69 2.948 -7.430 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.500 -9.822 -2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.526 -9.427 -4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.275 -9.716 -4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.043 -8.176 -1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.897 -7.963 -3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.198 -6.553 -2.654 1.00 0.00 H new ATOM 892 N ARG A 70 5.905 -6.466 -5.947 1.00 0.00 N ATOM 893 CA ARG A 70 7.124 -6.700 -6.703 1.00 0.00 C ATOM 894 C ARG A 70 8.294 -6.968 -5.761 1.00 0.00 C ATOM 895 O ARG A 70 8.188 -6.766 -4.552 1.00 0.00 O ATOM 896 CB ARG A 70 7.437 -5.494 -7.591 1.00 0.00 C ATOM 897 CG ARG A 70 6.376 -5.222 -8.646 1.00 0.00 C ATOM 898 CD ARG A 70 6.110 -6.454 -9.495 1.00 0.00 C ATOM 899 NE ARG A 70 5.189 -6.182 -10.596 1.00 0.00 N ATOM 900 CZ ARG A 70 4.968 -7.027 -11.600 1.00 0.00 C ATOM 901 NH1 ARG A 70 5.568 -8.213 -11.622 1.00 0.00 N ATOM 902 NH2 ARG A 70 4.146 -6.686 -12.579 1.00 0.00 N ATOM 0 H ARG A 70 5.823 -5.525 -5.562 1.00 0.00 H new ATOM 0 HA ARG A 70 6.974 -7.576 -7.334 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.548 -4.610 -6.963 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.395 -5.656 -8.085 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.452 -4.905 -8.162 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.699 -4.400 -9.285 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.053 -6.826 -9.897 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.698 -7.243 -8.866 1.00 0.00 H new ATOM 0 HE ARG A 70 4.687 -5.294 -10.595 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.201 -8.479 -10.867 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.396 -8.858 -12.394 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.683 -5.777 -12.563 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.975 -7.332 -13.350 1.00 0.00 H new ATOM 916 N ARG A 71 9.409 -7.415 -6.327 1.00 0.00 N ATOM 917 CA ARG A 71 10.604 -7.715 -5.548 1.00 0.00 C ATOM 918 C ARG A 71 11.448 -6.459 -5.353 1.00 0.00 C ATOM 919 O ARG A 71 11.900 -6.166 -4.246 1.00 0.00 O ATOM 920 CB ARG A 71 11.423 -8.794 -6.255 1.00 0.00 C ATOM 921 CG ARG A 71 12.610 -9.295 -5.448 1.00 0.00 C ATOM 922 CD ARG A 71 12.163 -10.092 -4.232 1.00 0.00 C ATOM 923 NE ARG A 71 11.439 -11.308 -4.603 1.00 0.00 N ATOM 924 CZ ARG A 71 11.238 -12.337 -3.778 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.674 -12.283 -2.527 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.567 -13.403 -4.205 1.00 0.00 N ATOM 0 H ARG A 71 9.510 -7.578 -7.329 1.00 0.00 H new ATOM 0 HA ARG A 71 10.300 -8.079 -4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.772 -9.637 -6.487 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.783 -8.399 -7.205 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.243 -9.918 -6.080 1.00 0.00 H new ATOM 0 HG3 ARG A 71 13.216 -8.448 -5.126 1.00 0.00 H new ATOM 0 HD2 ARG A 71 13.035 -10.358 -3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.525 -9.468 -3.606 1.00 0.00 H new ATOM 0 HE ARG A 71 11.065 -11.373 -5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.164 -11.453 -2.193 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.519 -13.071 -1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.209 -13.431 -5.160 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.411 -14.192 -3.578 1.00 0.00 H new ATOM 940 N SER A 72 11.663 -5.733 -6.440 1.00 0.00 N ATOM 941 CA SER A 72 12.438 -4.503 -6.404 1.00 0.00 C ATOM 942 C SER A 72 11.655 -3.396 -7.098 1.00 0.00 C ATOM 943 O SER A 72 11.581 -3.354 -8.326 1.00 0.00 O ATOM 944 CB SER A 72 13.789 -4.716 -7.089 1.00 0.00 C ATOM 945 OG SER A 72 14.211 -6.061 -6.958 1.00 0.00 O ATOM 0 H SER A 72 11.308 -5.978 -7.364 1.00 0.00 H new ATOM 0 HA SER A 72 12.621 -4.215 -5.369 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.712 -4.455 -8.145 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.533 -4.052 -6.650 1.00 0.00 H new ATOM 0 HG SER A 72 14.654 -6.182 -6.092 1.00 0.00 H new ATOM 951 N PHE A 73 11.068 -2.508 -6.315 1.00 0.00 N ATOM 952 CA PHE A 73 10.251 -1.431 -6.860 1.00 0.00 C ATOM 953 C PHE A 73 10.774 -0.063 -6.451 1.00 0.00 C ATOM 954 O PHE A 73 11.587 0.054 -5.536 1.00 0.00 O ATOM 955 CB PHE A 73 8.811 -1.590 -6.375 1.00 0.00 C ATOM 956 CG PHE A 73 8.672 -1.538 -4.876 1.00 0.00 C ATOM 957 CD1 PHE A 73 8.908 -2.667 -4.104 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.311 -0.359 -4.237 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.785 -2.621 -2.729 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.188 -0.309 -2.865 1.00 0.00 C ATOM 961 CZ PHE A 73 8.423 -1.442 -2.110 1.00 0.00 C ATOM 0 H PHE A 73 11.140 -2.509 -5.298 1.00 0.00 H new ATOM 0 HA PHE A 73 10.294 -1.495 -7.947 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.199 -0.804 -6.816 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.418 -2.540 -6.736 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.191 -3.592 -4.584 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.124 0.529 -4.822 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.972 -3.506 -2.139 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.908 0.615 -2.381 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.323 -1.405 -1.035 1.00 0.00 H new ATOM 971 N GLU A 74 10.301 0.968 -7.134 1.00 0.00 N ATOM 972 CA GLU A 74 10.706 2.330 -6.828 1.00 0.00 C ATOM 973 C GLU A 74 9.724 2.963 -5.855 1.00 0.00 C ATOM 974 O GLU A 74 8.557 3.170 -6.184 1.00 0.00 O ATOM 975 CB GLU A 74 10.790 3.179 -8.094 1.00 0.00 C ATOM 976 CG GLU A 74 12.213 3.475 -8.527 1.00 0.00 C ATOM 977 CD GLU A 74 12.783 2.392 -9.411 1.00 0.00 C ATOM 978 OE1 GLU A 74 12.565 2.451 -10.637 1.00 0.00 O ATOM 979 OE2 GLU A 74 13.456 1.479 -8.891 1.00 0.00 O ATOM 0 H GLU A 74 9.636 0.887 -7.904 1.00 0.00 H new ATOM 0 HA GLU A 74 11.696 2.290 -6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.272 2.664 -8.903 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.266 4.120 -7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.237 4.425 -9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.842 3.588 -7.644 1.00 0.00 H new ATOM 986 N GLY A 75 10.205 3.280 -4.664 1.00 0.00 N ATOM 987 CA GLY A 75 9.359 3.879 -3.657 1.00 0.00 C ATOM 988 C GLY A 75 9.154 5.361 -3.886 1.00 0.00 C ATOM 989 O GLY A 75 10.116 6.109 -4.095 1.00 0.00 O ATOM 0 H GLY A 75 11.172 3.132 -4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.391 3.377 -3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.803 3.724 -2.674 1.00 0.00 H new ATOM 993 N PHE A 76 7.903 5.790 -3.841 1.00 0.00 N ATOM 994 CA PHE A 76 7.567 7.182 -4.045 1.00 0.00 C ATOM 995 C PHE A 76 6.902 7.736 -2.803 1.00 0.00 C ATOM 996 O PHE A 76 6.226 7.007 -2.075 1.00 0.00 O ATOM 997 CB PHE A 76 6.629 7.348 -5.241 1.00 0.00 C ATOM 998 CG PHE A 76 7.325 7.561 -6.557 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.175 6.601 -7.079 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.112 8.726 -7.280 1.00 0.00 C ATOM 1001 CE1 PHE A 76 8.802 6.797 -8.295 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.736 8.927 -8.496 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.582 7.961 -9.003 1.00 0.00 C ATOM 0 H PHE A 76 7.101 5.186 -3.663 1.00 0.00 H new ATOM 0 HA PHE A 76 8.488 7.730 -4.246 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.999 6.462 -5.317 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.968 8.194 -5.053 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.350 5.688 -6.529 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.451 9.484 -6.888 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.463 6.040 -8.691 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.562 9.838 -9.049 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.071 8.116 -9.953 1.00 0.00 H new ATOM 1013 N LEU A 77 7.098 9.020 -2.562 1.00 0.00 N ATOM 1014 CA LEU A 77 6.511 9.675 -1.412 1.00 0.00 C ATOM 1015 C LEU A 77 5.107 10.151 -1.753 1.00 0.00 C ATOM 1016 O LEU A 77 4.687 10.081 -2.910 1.00 0.00 O ATOM 1017 CB LEU A 77 7.382 10.851 -0.974 1.00 0.00 C ATOM 1018 CG LEU A 77 8.877 10.535 -0.847 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.677 11.810 -0.651 1.00 0.00 C ATOM 1020 CD2 LEU A 77 9.125 9.566 0.300 1.00 0.00 C ATOM 0 H LEU A 77 7.663 9.631 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 77 6.452 8.965 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.257 11.663 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.019 11.215 -0.013 1.00 0.00 H new ATOM 0 HG LEU A 77 9.207 10.062 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.736 11.565 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.527 12.469 -1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.344 12.313 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.192 9.354 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.778 10.010 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.583 8.638 0.116 1.00 0.00 H new ATOM 1032 N PHE A 78 4.396 10.662 -0.760 1.00 0.00 N ATOM 1033 CA PHE A 78 3.031 11.132 -0.965 1.00 0.00 C ATOM 1034 C PHE A 78 3.004 12.445 -1.741 1.00 0.00 C ATOM 1035 O PHE A 78 1.957 12.859 -2.237 1.00 0.00 O ATOM 1036 CB PHE A 78 2.307 11.291 0.372 1.00 0.00 C ATOM 1037 CG PHE A 78 1.459 10.105 0.734 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.397 9.728 -0.071 1.00 0.00 C ATOM 1039 CD2 PHE A 78 1.727 9.366 1.872 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -0.383 8.634 0.255 1.00 0.00 C ATOM 1041 CE2 PHE A 78 0.950 8.273 2.203 1.00 0.00 C ATOM 1042 CZ PHE A 78 -0.106 7.906 1.392 1.00 0.00 C ATOM 0 H PHE A 78 4.739 10.763 0.195 1.00 0.00 H new ATOM 0 HA PHE A 78 2.510 10.380 -1.558 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.043 11.456 1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.678 12.180 0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.176 10.295 -0.963 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.553 9.647 2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.209 8.350 -0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.168 7.706 3.096 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.713 7.050 1.648 1.00 0.00 H new ATOM 1052 N ASP A 79 4.156 13.090 -1.851 1.00 0.00 N ATOM 1053 CA ASP A 79 4.252 14.349 -2.577 1.00 0.00 C ATOM 1054 C ASP A 79 4.402 14.090 -4.075 1.00 0.00 C ATOM 1055 O ASP A 79 4.108 14.962 -4.895 1.00 0.00 O ATOM 1056 CB ASP A 79 5.420 15.188 -2.051 1.00 0.00 C ATOM 1057 CG ASP A 79 6.724 14.915 -2.771 1.00 0.00 C ATOM 1058 OD1 ASP A 79 7.158 13.746 -2.809 1.00 0.00 O ATOM 1059 OD2 ASP A 79 7.330 15.873 -3.297 1.00 0.00 O ATOM 0 H ASP A 79 5.035 12.764 -1.449 1.00 0.00 H new ATOM 0 HA ASP A 79 3.332 14.911 -2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.173 16.245 -2.150 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.551 14.989 -0.987 1.00 0.00 H new ATOM 1064 N GLY A 80 4.851 12.886 -4.427 1.00 0.00 N ATOM 1065 CA GLY A 80 5.015 12.537 -5.826 1.00 0.00 C ATOM 1066 C GLY A 80 6.462 12.348 -6.238 1.00 0.00 C ATOM 1067 O GLY A 80 6.743 12.088 -7.406 1.00 0.00 O ATOM 0 H GLY A 80 5.103 12.149 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.465 11.618 -6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.570 13.319 -6.442 1.00 0.00 H new ATOM 1071 N THR A 81 7.386 12.491 -5.298 1.00 0.00 N ATOM 1072 CA THR A 81 8.799 12.326 -5.603 1.00 0.00 C ATOM 1073 C THR A 81 9.309 10.953 -5.168 1.00 0.00 C ATOM 1074 O THR A 81 8.848 10.397 -4.169 1.00 0.00 O ATOM 1075 CB THR A 81 9.638 13.418 -4.920 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.963 14.675 -5.038 1.00 0.00 O ATOM 1077 CG2 THR A 81 11.020 13.527 -5.550 1.00 0.00 C ATOM 0 H THR A 81 7.184 12.719 -4.325 1.00 0.00 H new ATOM 0 HA THR A 81 8.905 12.412 -6.684 1.00 0.00 H new ATOM 0 HB THR A 81 9.760 13.151 -3.870 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.745 15.015 -4.145 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.589 14.308 -5.045 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.542 12.575 -5.450 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.920 13.776 -6.606 1.00 0.00 H new ATOM 1085 N ARG A 82 10.246 10.405 -5.929 1.00 0.00 N ATOM 1086 CA ARG A 82 10.824 9.106 -5.611 1.00 0.00 C ATOM 1087 C ARG A 82 11.917 9.253 -4.561 1.00 0.00 C ATOM 1088 O ARG A 82 12.664 10.233 -4.563 1.00 0.00 O ATOM 1089 CB ARG A 82 11.400 8.444 -6.870 1.00 0.00 C ATOM 1090 CG ARG A 82 12.454 9.275 -7.587 1.00 0.00 C ATOM 1091 CD ARG A 82 13.105 8.498 -8.724 1.00 0.00 C ATOM 1092 NE ARG A 82 12.133 8.064 -9.730 1.00 0.00 N ATOM 1093 CZ ARG A 82 12.249 6.944 -10.450 1.00 0.00 C ATOM 1094 NH1 ARG A 82 13.318 6.167 -10.314 1.00 0.00 N ATOM 1095 NH2 ARG A 82 11.301 6.613 -11.318 1.00 0.00 N ATOM 0 H ARG A 82 10.623 10.840 -6.771 1.00 0.00 H new ATOM 0 HA ARG A 82 10.031 8.472 -5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.836 7.484 -6.594 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.585 8.236 -7.563 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.996 10.182 -7.981 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.218 9.587 -6.875 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.863 9.121 -9.199 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.618 7.626 -8.318 1.00 0.00 H new ATOM 0 HE ARG A 82 11.316 8.653 -9.891 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.055 6.424 -9.658 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.402 5.313 -10.866 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.485 7.213 -11.435 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.389 5.758 -11.868 1.00 0.00 H new ATOM 1109 N TRP A 83 12.005 8.291 -3.656 1.00 0.00 N ATOM 1110 CA TRP A 83 13.022 8.334 -2.619 1.00 0.00 C ATOM 1111 C TRP A 83 14.106 7.292 -2.891 1.00 0.00 C ATOM 1112 O TRP A 83 15.224 7.402 -2.390 1.00 0.00 O ATOM 1113 CB TRP A 83 12.403 8.122 -1.234 1.00 0.00 C ATOM 1114 CG TRP A 83 13.276 8.607 -0.116 1.00 0.00 C ATOM 1115 CD1 TRP A 83 13.858 7.850 0.860 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.681 9.962 0.133 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.595 8.648 1.700 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.501 9.948 1.276 1.00 0.00 C ATOM 1119 CE3 TRP A 83 13.429 11.183 -0.497 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 15.074 11.103 1.798 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.996 12.331 0.025 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.809 12.283 1.162 1.00 0.00 C ATOM 0 H TRP A 83 11.390 7.478 -3.619 1.00 0.00 H new ATOM 0 HA TRP A 83 13.481 9.323 -2.634 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.445 8.639 -1.189 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.199 7.061 -1.093 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.754 6.779 0.957 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.126 8.325 2.509 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.803 11.229 -1.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.705 11.068 2.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 13.808 13.281 -0.453 1.00 0.00 H new ATOM 0 HH2 TRP A 83 15.236 13.198 1.545 1.00 0.00 H new ATOM 1133 N GLY A 84 13.777 6.281 -3.687 1.00 0.00 N ATOM 1134 CA GLY A 84 14.752 5.259 -4.010 1.00 0.00 C ATOM 1135 C GLY A 84 14.116 3.916 -4.286 1.00 0.00 C ATOM 1136 O GLY A 84 12.903 3.755 -4.144 1.00 0.00 O ATOM 0 H GLY A 84 12.859 6.152 -4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.325 5.572 -4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.457 5.160 -3.184 1.00 0.00 H new ATOM 1140 N THR A 85 14.932 2.954 -4.686 1.00 0.00 N ATOM 1141 CA THR A 85 14.448 1.615 -4.976 1.00 0.00 C ATOM 1142 C THR A 85 14.422 0.762 -3.709 1.00 0.00 C ATOM 1143 O THR A 85 15.387 0.731 -2.945 1.00 0.00 O ATOM 1144 CB THR A 85 15.326 0.931 -6.044 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.430 1.781 -7.195 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.747 -0.419 -6.454 1.00 0.00 C ATOM 0 H THR A 85 15.936 3.077 -4.817 1.00 0.00 H new ATOM 0 HA THR A 85 13.433 1.707 -5.362 1.00 0.00 H new ATOM 0 HB THR A 85 16.314 0.761 -5.617 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.752 1.524 -7.854 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.388 -0.876 -7.208 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.691 -1.071 -5.582 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.748 -0.276 -6.866 1.00 0.00 H new ATOM 1154 N VAL A 86 13.306 0.090 -3.484 1.00 0.00 N ATOM 1155 CA VAL A 86 13.148 -0.768 -2.324 1.00 0.00 C ATOM 1156 C VAL A 86 13.152 -2.222 -2.764 1.00 0.00 C ATOM 1157 O VAL A 86 12.397 -2.612 -3.656 1.00 0.00 O ATOM 1158 CB VAL A 86 11.840 -0.474 -1.562 1.00 0.00 C ATOM 1159 CG1 VAL A 86 11.822 -1.198 -0.228 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.656 1.019 -1.360 1.00 0.00 C ATOM 0 H VAL A 86 12.490 0.123 -4.095 1.00 0.00 H new ATOM 0 HA VAL A 86 13.982 -0.570 -1.651 1.00 0.00 H new ATOM 0 HB VAL A 86 11.009 -0.841 -2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.891 -0.977 0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.898 -2.272 -0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.665 -0.865 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.727 1.201 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.493 1.414 -0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.616 1.515 -2.330 1.00 0.00 H new ATOM 1170 N ASP A 87 14.018 -3.010 -2.154 1.00 0.00 N ATOM 1171 CA ASP A 87 14.123 -4.421 -2.483 1.00 0.00 C ATOM 1172 C ASP A 87 13.768 -5.269 -1.274 1.00 0.00 C ATOM 1173 O ASP A 87 14.129 -4.937 -0.143 1.00 0.00 O ATOM 1174 CB ASP A 87 15.534 -4.758 -2.965 1.00 0.00 C ATOM 1175 CG ASP A 87 15.664 -6.198 -3.413 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.436 -6.476 -4.605 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.006 -7.060 -2.571 1.00 0.00 O ATOM 0 H ASP A 87 14.661 -2.697 -1.426 1.00 0.00 H new ATOM 0 HA ASP A 87 13.421 -4.640 -3.288 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.800 -4.098 -3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.245 -4.565 -2.162 1.00 0.00 H new ATOM 1182 N CYS A 88 13.053 -6.354 -1.512 1.00 0.00 N ATOM 1183 CA CYS A 88 12.643 -7.239 -0.438 1.00 0.00 C ATOM 1184 C CYS A 88 13.017 -8.690 -0.740 1.00 0.00 C ATOM 1185 O CYS A 88 12.223 -9.607 -0.532 1.00 0.00 O ATOM 1186 CB CYS A 88 11.137 -7.102 -0.198 1.00 0.00 C ATOM 1187 SG CYS A 88 10.629 -5.427 0.322 1.00 0.00 S ATOM 0 H CYS A 88 12.744 -6.643 -2.440 1.00 0.00 H new ATOM 0 HA CYS A 88 13.173 -6.949 0.469 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.606 -7.366 -1.113 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.833 -7.818 0.565 1.00 0.00 H new ATOM 1192 N THR A 89 14.226 -8.895 -1.246 1.00 0.00 N ATOM 1193 CA THR A 89 14.707 -10.236 -1.544 1.00 0.00 C ATOM 1194 C THR A 89 15.294 -10.863 -0.284 1.00 0.00 C ATOM 1195 O THR A 89 15.037 -12.025 0.027 1.00 0.00 O ATOM 1196 CB THR A 89 15.771 -10.223 -2.661 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.363 -9.336 -3.712 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.979 -11.619 -3.229 1.00 0.00 C ATOM 0 H THR A 89 14.890 -8.150 -1.458 1.00 0.00 H new ATOM 0 HA THR A 89 13.860 -10.826 -1.893 1.00 0.00 H new ATOM 0 HB THR A 89 16.712 -9.877 -2.232 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.845 -8.487 -3.629 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.734 -11.583 -4.015 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.312 -12.289 -2.436 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.040 -11.987 -3.644 1.00 0.00 H new ATOM 1206 N THR A 90 16.053 -10.065 0.456 1.00 0.00 N ATOM 1207 CA THR A 90 16.677 -10.522 1.686 1.00 0.00 C ATOM 1208 C THR A 90 16.170 -9.700 2.873 1.00 0.00 C ATOM 1209 O THR A 90 16.679 -9.811 3.990 1.00 0.00 O ATOM 1210 CB THR A 90 18.223 -10.436 1.595 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.828 -11.002 2.764 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.689 -8.997 1.425 1.00 0.00 C ATOM 0 H THR A 90 16.251 -9.092 0.222 1.00 0.00 H new ATOM 0 HA THR A 90 16.405 -11.567 1.835 1.00 0.00 H new ATOM 0 HB THR A 90 18.531 -11.005 0.718 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.337 -10.710 3.560 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.777 -8.972 1.365 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.265 -8.583 0.510 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.359 -8.405 2.278 1.00 0.00 H new ATOM 1220 N ALA A 91 15.152 -8.885 2.620 1.00 0.00 N ATOM 1221 CA ALA A 91 14.568 -8.036 3.649 1.00 0.00 C ATOM 1222 C ALA A 91 13.056 -8.197 3.679 1.00 0.00 C ATOM 1223 O ALA A 91 12.468 -8.786 2.769 1.00 0.00 O ATOM 1224 CB ALA A 91 14.943 -6.580 3.415 1.00 0.00 C ATOM 0 H ALA A 91 14.712 -8.795 1.704 1.00 0.00 H new ATOM 0 HA ALA A 91 14.967 -8.344 4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.498 -5.960 4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 91 16.028 -6.475 3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.572 -6.261 2.441 1.00 0.00 H new ATOM 1230 N ALA A 92 12.432 -7.674 4.723 1.00 0.00 N ATOM 1231 CA ALA A 92 10.989 -7.763 4.872 1.00 0.00 C ATOM 1232 C ALA A 92 10.290 -6.665 4.083 1.00 0.00 C ATOM 1233 O ALA A 92 10.840 -5.580 3.886 1.00 0.00 O ATOM 1234 CB ALA A 92 10.600 -7.687 6.337 1.00 0.00 C ATOM 0 H ALA A 92 12.905 -7.182 5.481 1.00 0.00 H new ATOM 0 HA ALA A 92 10.668 -8.726 4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.516 -7.755 6.430 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.063 -8.511 6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.941 -6.740 6.755 1.00 0.00 H new ATOM 1240 N CYS A 93 9.070 -6.952 3.656 1.00 0.00 N ATOM 1241 CA CYS A 93 8.276 -6.009 2.884 1.00 0.00 C ATOM 1242 C CYS A 93 6.935 -5.797 3.577 1.00 0.00 C ATOM 1243 O CYS A 93 6.624 -6.496 4.541 1.00 0.00 O ATOM 1244 CB CYS A 93 8.052 -6.548 1.468 1.00 0.00 C ATOM 1245 SG CYS A 93 8.609 -5.433 0.141 1.00 0.00 S ATOM 0 H CYS A 93 8.604 -7.842 3.834 1.00 0.00 H new ATOM 0 HA CYS A 93 8.806 -5.059 2.817 1.00 0.00 H new ATOM 0 HB2 CYS A 93 8.573 -7.500 1.368 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.989 -6.751 1.333 1.00 0.00 H new ATOM 1250 N GLN A 94 6.144 -4.843 3.101 1.00 0.00 N ATOM 1251 CA GLN A 94 4.837 -4.581 3.691 1.00 0.00 C ATOM 1252 C GLN A 94 3.936 -3.851 2.704 1.00 0.00 C ATOM 1253 O GLN A 94 4.398 -3.359 1.674 1.00 0.00 O ATOM 1254 CB GLN A 94 4.963 -3.775 4.991 1.00 0.00 C ATOM 1255 CG GLN A 94 5.723 -2.466 4.853 1.00 0.00 C ATOM 1256 CD GLN A 94 7.149 -2.560 5.359 1.00 0.00 C ATOM 1257 OE1 GLN A 94 8.078 -2.833 4.602 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.330 -2.333 6.650 1.00 0.00 N ATOM 0 H GLN A 94 6.383 -4.241 2.313 1.00 0.00 H new ATOM 0 HA GLN A 94 4.385 -5.544 3.931 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.963 -3.561 5.369 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.461 -4.392 5.739 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.733 -2.165 3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.197 -1.686 5.404 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.532 -2.109 7.245 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.267 -2.382 7.050 1.00 0.00 H new ATOM 1267 N VAL A 95 2.650 -3.808 3.016 1.00 0.00 N ATOM 1268 CA VAL A 95 1.675 -3.139 2.169 1.00 0.00 C ATOM 1269 C VAL A 95 1.044 -1.979 2.929 1.00 0.00 C ATOM 1270 O VAL A 95 0.657 -2.135 4.091 1.00 0.00 O ATOM 1271 CB VAL A 95 0.569 -4.109 1.702 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.330 -3.452 0.664 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.181 -5.392 1.156 1.00 0.00 C ATOM 0 H VAL A 95 2.255 -4.232 3.856 1.00 0.00 H new ATOM 0 HA VAL A 95 2.197 -2.768 1.287 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.048 -4.363 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.101 -4.157 0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.800 -2.569 1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.266 -3.159 -0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.387 -6.064 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.826 -5.156 0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.769 -5.875 1.936 1.00 0.00 H new ATOM 1283 N GLY A 96 0.941 -0.825 2.281 1.00 0.00 N ATOM 1284 CA GLY A 96 0.370 0.331 2.935 1.00 0.00 C ATOM 1285 C GLY A 96 -0.848 0.878 2.226 1.00 0.00 C ATOM 1286 O GLY A 96 -0.960 0.799 1.003 1.00 0.00 O ATOM 0 H GLY A 96 1.242 -0.672 1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.098 0.065 3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.126 1.113 3.000 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.762 1.436 3.003 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.983 2.014 2.469 1.00 0.00 C ATOM 1292 C LEU A 97 -3.380 3.236 3.296 1.00 0.00 C ATOM 1293 O LEU A 97 -3.492 3.159 4.521 1.00 0.00 O ATOM 1294 CB LEU A 97 -4.122 0.980 2.455 1.00 0.00 C ATOM 1295 CG LEU A 97 -4.492 0.378 3.815 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -5.994 0.171 3.912 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.761 -0.940 4.044 1.00 0.00 C ATOM 0 H LEU A 97 -1.679 1.501 4.018 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.800 2.323 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.010 1.451 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.842 0.168 1.783 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.184 1.079 4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.240 -0.257 4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.501 1.129 3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.319 -0.508 3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.040 -1.347 5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.034 -1.648 3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.685 -0.768 4.018 1.00 0.00 H new ATOM 1309 N SER A 98 -3.558 4.368 2.634 1.00 0.00 N ATOM 1310 CA SER A 98 -3.940 5.600 3.311 1.00 0.00 C ATOM 1311 C SER A 98 -4.642 6.542 2.342 1.00 0.00 C ATOM 1312 O SER A 98 -4.597 6.339 1.127 1.00 0.00 O ATOM 1313 CB SER A 98 -2.712 6.288 3.920 1.00 0.00 C ATOM 1314 OG SER A 98 -2.211 5.550 5.022 1.00 0.00 O ATOM 0 H SER A 98 -3.444 4.461 1.625 1.00 0.00 H new ATOM 0 HA SER A 98 -4.629 5.347 4.117 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.935 6.390 3.163 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.977 7.295 4.242 1.00 0.00 H new ATOM 0 HG SER A 98 -2.662 4.681 5.066 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.299 7.559 2.879 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.008 8.532 2.058 1.00 0.00 C ATOM 1322 C ASP A 99 -5.044 9.590 1.520 1.00 0.00 C ATOM 1323 O ASP A 99 -3.826 9.408 1.561 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.130 9.195 2.868 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.625 10.282 3.796 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.765 9.995 4.651 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.087 11.435 3.669 1.00 0.00 O ATOM 0 H ASP A 99 -5.357 7.733 3.882 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.450 8.009 1.210 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.863 9.621 2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.646 8.435 3.454 1.00 0.00 H new ATOM 1332 N ALA A 100 -5.594 10.693 1.025 1.00 0.00 N ATOM 1333 CA ALA A 100 -4.791 11.776 0.473 1.00 0.00 C ATOM 1334 C ALA A 100 -3.950 12.454 1.552 1.00 0.00 C ATOM 1335 O ALA A 100 -2.840 12.922 1.280 1.00 0.00 O ATOM 1336 CB ALA A 100 -5.689 12.797 -0.209 1.00 0.00 C ATOM 0 H ALA A 100 -6.600 10.860 0.995 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.110 11.347 -0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.079 13.602 -0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.241 12.315 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.391 13.207 0.517 1.00 0.00 H new ATOM 1342 N ALA A 101 -4.482 12.506 2.765 1.00 0.00 N ATOM 1343 CA ALA A 101 -3.779 13.123 3.882 1.00 0.00 C ATOM 1344 C ALA A 101 -2.757 12.163 4.482 1.00 0.00 C ATOM 1345 O ALA A 101 -1.570 12.480 4.557 1.00 0.00 O ATOM 1346 CB ALA A 101 -4.758 13.585 4.951 1.00 0.00 C ATOM 0 H ALA A 101 -5.399 12.128 3.001 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.249 13.995 3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.209 14.042 5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.445 14.315 4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.322 12.729 5.322 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.214 10.991 4.900 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.313 10.014 5.475 1.00 0.00 C ATOM 1354 C GLY A 102 -2.932 9.265 6.636 1.00 0.00 C ATOM 1355 O GLY A 102 -2.277 9.044 7.656 1.00 0.00 O ATOM 0 H GLY A 102 -4.190 10.700 4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.015 9.302 4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.406 10.516 5.813 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.198 8.901 6.493 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.906 8.158 7.529 1.00 0.00 C ATOM 1361 C ASN A 103 -5.509 6.890 6.947 1.00 0.00 C ATOM 1362 O ASN A 103 -5.775 6.819 5.746 1.00 0.00 O ATOM 1363 CB ASN A 103 -6.014 9.003 8.159 1.00 0.00 C ATOM 1364 CG ASN A 103 -5.479 10.102 9.049 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -5.096 9.855 10.192 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -5.460 11.323 8.542 1.00 0.00 N ATOM 0 H ASN A 103 -4.759 9.108 5.667 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.184 7.899 8.303 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.621 9.445 7.369 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.670 8.357 8.742 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.119 12.103 9.104 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.787 11.485 7.589 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.723 5.899 7.797 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.294 4.648 7.349 1.00 0.00 C ATOM 1375 C GLY A 104 -5.853 3.488 8.216 1.00 0.00 C ATOM 1376 O GLY A 104 -5.054 3.681 9.134 1.00 0.00 O ATOM 0 H GLY A 104 -5.510 5.939 8.794 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.382 4.719 7.362 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.999 4.463 6.316 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.362 2.270 7.949 1.00 0.00 N ATOM 1381 CA PRO A 105 -6.008 1.067 8.716 1.00 0.00 C ATOM 1382 C PRO A 105 -4.505 0.806 8.715 1.00 0.00 C ATOM 1383 O PRO A 105 -3.829 1.059 7.719 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.751 -0.060 7.988 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.862 0.623 7.271 1.00 0.00 C ATOM 1386 CD PRO A 105 -7.326 1.970 6.879 1.00 0.00 C ATOM 0 HA PRO A 105 -6.282 1.159 9.767 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.094 -0.584 7.294 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.130 -0.803 8.690 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.170 0.054 6.394 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.739 0.722 7.911 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.847 1.944 5.900 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -8.116 2.719 6.827 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.993 0.314 9.835 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.569 0.024 9.972 1.00 0.00 C ATOM 1396 C GLU A 106 -2.080 -0.949 8.902 1.00 0.00 C ATOM 1397 O GLU A 106 -2.738 -1.952 8.607 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.275 -0.540 11.357 1.00 0.00 C ATOM 1399 CG GLU A 106 -2.253 0.516 12.446 1.00 0.00 C ATOM 1400 CD GLU A 106 -2.004 -0.070 13.814 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.878 -0.549 14.065 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -2.935 -0.061 14.648 1.00 0.00 O ATOM 0 H GLU A 106 -4.545 0.106 10.667 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.032 0.963 9.840 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.027 -1.289 11.603 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.312 -1.050 11.336 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.478 1.249 12.222 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.204 1.049 12.450 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.917 -0.642 8.336 1.00 0.00 N ATOM 1410 CA GLY A 107 -0.336 -1.474 7.301 1.00 0.00 C ATOM 1411 C GLY A 107 0.036 -2.859 7.795 1.00 0.00 C ATOM 1412 O GLY A 107 0.242 -3.069 8.995 1.00 0.00 O ATOM 0 H GLY A 107 -0.362 0.178 8.580 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.043 -1.566 6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.554 -0.984 6.905 1.00 0.00 H new ATOM 1416 N VAL A 108 0.131 -3.801 6.872 1.00 0.00 N ATOM 1417 CA VAL A 108 0.468 -5.173 7.213 1.00 0.00 C ATOM 1418 C VAL A 108 1.766 -5.593 6.537 1.00 0.00 C ATOM 1419 O VAL A 108 1.961 -5.352 5.342 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.656 -6.151 6.805 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.370 -7.549 7.328 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -2.003 -5.658 7.308 1.00 0.00 C ATOM 0 H VAL A 108 -0.021 -3.640 5.876 1.00 0.00 H new ATOM 0 HA VAL A 108 0.591 -5.213 8.295 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.690 -6.195 5.716 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.174 -8.221 7.029 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.573 -7.906 6.915 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.304 -7.524 8.416 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.782 -6.360 7.011 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.980 -5.581 8.395 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.215 -4.678 6.880 1.00 0.00 H new ATOM 1432 N ALA A 109 2.649 -6.213 7.305 1.00 0.00 N ATOM 1433 CA ALA A 109 3.924 -6.676 6.786 1.00 0.00 C ATOM 1434 C ALA A 109 3.743 -7.985 6.032 1.00 0.00 C ATOM 1435 O ALA A 109 2.862 -8.782 6.358 1.00 0.00 O ATOM 1436 CB ALA A 109 4.932 -6.843 7.916 1.00 0.00 C ATOM 0 H ALA A 109 2.503 -6.407 8.296 1.00 0.00 H new ATOM 0 HA ALA A 109 4.309 -5.928 6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.881 -7.190 7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.080 -5.886 8.416 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.557 -7.572 8.634 1.00 0.00 H new ATOM 1442 N ILE A 110 4.559 -8.193 5.015 1.00 0.00 N ATOM 1443 CA ILE A 110 4.496 -9.407 4.221 1.00 0.00 C ATOM 1444 C ILE A 110 5.879 -10.038 4.144 1.00 0.00 C ATOM 1445 O ILE A 110 6.889 -9.384 4.424 1.00 0.00 O ATOM 1446 CB ILE A 110 3.957 -9.146 2.795 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.904 -8.235 2.012 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.562 -8.539 2.861 1.00 0.00 C ATOM 1449 CD1 ILE A 110 4.450 -7.952 0.598 1.00 0.00 C ATOM 0 H ILE A 110 5.277 -7.533 4.718 1.00 0.00 H new ATOM 0 HA ILE A 110 3.800 -10.088 4.712 1.00 0.00 H new ATOM 0 HB ILE A 110 3.897 -10.100 2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 110 5.008 -7.290 2.546 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.892 -8.694 1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.195 -8.360 1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.890 -9.226 3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.601 -7.595 3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.173 -7.300 0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.373 -8.889 0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.476 -7.463 0.620 1.00 0.00 H new ATOM 1461 N SER A 111 5.934 -11.305 3.785 1.00 0.00 N ATOM 1462 CA SER A 111 7.202 -12.006 3.691 1.00 0.00 C ATOM 1463 C SER A 111 7.133 -13.084 2.624 1.00 0.00 C ATOM 1464 O SER A 111 6.133 -13.792 2.513 1.00 0.00 O ATOM 1465 CB SER A 111 7.562 -12.621 5.041 1.00 0.00 C ATOM 1466 OG SER A 111 7.555 -11.636 6.065 1.00 0.00 O ATOM 0 H SER A 111 5.118 -11.871 3.554 1.00 0.00 H new ATOM 0 HA SER A 111 7.976 -11.292 3.412 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.852 -13.411 5.286 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.547 -13.084 4.983 1.00 0.00 H new ATOM 0 HG SER A 111 7.787 -12.053 6.921 1.00 0.00 H new ATOM 1472 N PHE A 112 8.193 -13.204 1.845 1.00 0.00 N ATOM 1473 CA PHE A 112 8.250 -14.193 0.782 1.00 0.00 C ATOM 1474 C PHE A 112 9.005 -15.427 1.255 1.00 0.00 C ATOM 1475 O PHE A 112 9.578 -15.433 2.348 1.00 0.00 O ATOM 1476 CB PHE A 112 8.930 -13.601 -0.453 1.00 0.00 C ATOM 1477 CG PHE A 112 8.436 -12.228 -0.817 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.270 -12.064 -1.544 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.146 -11.100 -0.435 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.820 -10.804 -1.885 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.701 -9.838 -0.770 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.536 -9.689 -1.495 1.00 0.00 C ATOM 0 H PHE A 112 9.030 -12.627 1.929 1.00 0.00 H new ATOM 0 HA PHE A 112 7.233 -14.483 0.517 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.005 -13.556 -0.278 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.773 -14.270 -1.299 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.705 -12.933 -1.848 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.059 -11.211 0.132 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.910 -10.690 -2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.263 -8.968 -0.465 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.185 -8.702 -1.757 1.00 0.00 H new ATOM 1492 N ASN A 113 9.008 -16.466 0.436 1.00 0.00 N ATOM 1493 CA ASN A 113 9.699 -17.697 0.781 1.00 0.00 C ATOM 1494 C ASN A 113 11.095 -17.681 0.189 1.00 0.00 C ATOM 1495 O ASN A 113 11.982 -18.377 0.725 1.00 0.00 O ATOM 1496 CB ASN A 113 8.929 -18.930 0.291 1.00 0.00 C ATOM 1497 CG ASN A 113 8.739 -18.958 -1.212 1.00 0.00 C ATOM 1498 OD1 ASN A 113 9.611 -19.405 -1.957 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.584 -18.499 -1.665 1.00 0.00 N ATOM 1500 OXT ASN A 113 11.309 -16.953 -0.802 1.00 0.00 O ATOM 0 H ASN A 113 8.541 -16.482 -0.471 1.00 0.00 H new ATOM 0 HA ASN A 113 9.764 -17.759 1.867 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.462 -19.829 0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.952 -18.956 0.775 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.389 -18.507 -2.666 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.888 -18.137 -1.013 1.00 0.00 H new