USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 443 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 66 ASN : amide:sc= -0.316 K(o=-3.9,f=-3.3) USER MOD Set 1.2: A 67 ASN : amide:sc= -3.6 K(o=-3.9,f=-8.1!) USER MOD Set 2.1: A 2 GLN : amide:sc= -0.0667 K(o=-0.12,f=0.7) USER MOD Set 2.2: A 4 ASN : amide:sc= -0.0543 K(o=-0.12,f=-10!) USER MOD Single : A 9 SER OG : rot 47:sc= 1.26 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.64) USER MOD Single : A 16 GLN : amide:sc= -0.722 K(o=-0.72,f=-1.3) USER MOD Single : A 17 TYR OH : rot -122:sc= -3.47! USER MOD Single : A 20 HIS : no HD1:sc= -0.536 X(o=-0.54,f=-0.31) USER MOD Single : A 21 SER OG : rot -90:sc= -1.19 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 75:sc= 0.672 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.043) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.37) USER MOD Single : A 57 SER OG : rot -68:sc= 0.541 USER MOD Single : A 60 GLN : amide:sc= 0.137 X(o=0.14,f=-0.012) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0176 USER MOD Single : A 70 THR OG1 : rot 29:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 1.498 -1.605 -3.007 1.00 0.00 N ATOM 12 CA GLN A 2 1.576 -2.960 -3.540 1.00 0.00 C ATOM 13 C GLN A 2 3.003 -3.302 -3.954 1.00 0.00 C ATOM 14 O GLN A 2 3.593 -2.628 -4.799 1.00 0.00 O ATOM 15 CB GLN A 2 0.634 -3.114 -4.736 1.00 0.00 C ATOM 16 CG GLN A 2 0.251 -4.556 -5.027 1.00 0.00 C ATOM 17 CD GLN A 2 1.214 -5.234 -5.983 1.00 0.00 C ATOM 18 OE1 GLN A 2 1.696 -4.621 -6.935 1.00 0.00 O ATOM 19 NE2 GLN A 2 1.498 -6.507 -5.732 1.00 0.00 N ATOM 0 HA GLN A 2 1.271 -3.651 -2.754 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.272 -2.536 -4.551 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.109 -2.688 -5.619 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.219 -5.115 -4.092 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.754 -4.583 -5.449 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.075 -6.976 -4.931 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.139 -7.016 -6.340 1.00 0.00 H new ATOM 28 N VAL A 3 3.553 -4.352 -3.353 1.00 0.00 N ATOM 29 CA VAL A 3 4.912 -4.784 -3.660 1.00 0.00 C ATOM 30 C VAL A 3 4.964 -6.283 -3.932 1.00 0.00 C ATOM 31 O VAL A 3 4.621 -7.092 -3.072 1.00 0.00 O ATOM 32 CB VAL A 3 5.880 -4.448 -2.511 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.282 -4.942 -2.832 1.00 0.00 C ATOM 34 CG2 VAL A 3 5.883 -2.951 -2.237 1.00 0.00 C ATOM 0 H VAL A 3 3.079 -4.920 -2.651 1.00 0.00 H new ATOM 0 HA VAL A 3 5.221 -4.245 -4.555 1.00 0.00 H new ATOM 0 HB VAL A 3 5.538 -4.958 -1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.952 -4.695 -2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.263 -6.023 -2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.637 -4.462 -3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.573 -2.732 -1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.199 -2.418 -3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.879 -2.630 -1.959 1.00 0.00 H new ATOM 44 N ASN A 4 5.396 -6.645 -5.136 1.00 0.00 N ATOM 45 CA ASN A 4 5.493 -8.048 -5.522 1.00 0.00 C ATOM 46 C ASN A 4 6.937 -8.427 -5.837 1.00 0.00 C ATOM 47 O ASN A 4 7.537 -7.899 -6.774 1.00 0.00 O ATOM 48 CB ASN A 4 4.604 -8.327 -6.736 1.00 0.00 C ATOM 49 CG ASN A 4 4.565 -7.161 -7.704 1.00 0.00 C ATOM 50 OD1 ASN A 4 3.696 -6.294 -7.614 1.00 0.00 O ATOM 51 ND2 ASN A 4 5.510 -7.135 -8.637 1.00 0.00 N ATOM 0 H ASN A 4 5.684 -5.987 -5.860 1.00 0.00 H new ATOM 0 HA ASN A 4 5.152 -8.654 -4.683 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.969 -9.214 -7.254 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.592 -8.549 -6.398 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.535 -6.375 -9.316 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.211 -7.875 -8.674 1.00 0.00 H new ATOM 58 N ILE A 5 7.488 -9.344 -5.049 1.00 0.00 N ATOM 59 CA ILE A 5 8.860 -9.794 -5.245 1.00 0.00 C ATOM 60 C ILE A 5 8.927 -11.312 -5.378 1.00 0.00 C ATOM 61 O ILE A 5 8.250 -12.039 -4.652 1.00 0.00 O ATOM 62 CB ILE A 5 9.770 -9.351 -4.084 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.772 -7.825 -3.963 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.184 -9.873 -4.290 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.106 -7.330 -2.573 1.00 0.00 C ATOM 0 H ILE A 5 7.005 -9.790 -4.269 1.00 0.00 H new ATOM 0 HA ILE A 5 9.214 -9.335 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 5 9.381 -9.770 -3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.493 -7.413 -4.670 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.792 -7.444 -4.250 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.815 -9.552 -3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.167 -10.962 -4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.584 -9.480 -5.224 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.089 -6.240 -2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.371 -7.712 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.099 -7.681 -2.291 1.00 0.00 H new ATOM 77 N ALA A 6 9.751 -11.783 -6.308 1.00 0.00 N ATOM 78 CA ALA A 6 9.910 -13.215 -6.533 1.00 0.00 C ATOM 79 C ALA A 6 10.997 -13.794 -5.634 1.00 0.00 C ATOM 80 O ALA A 6 12.106 -13.269 -5.543 1.00 0.00 O ATOM 81 CB ALA A 6 10.231 -13.486 -7.995 1.00 0.00 C ATOM 0 H ALA A 6 10.319 -11.194 -6.918 1.00 0.00 H new ATOM 0 HA ALA A 6 8.969 -13.705 -6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.347 -14.559 -8.149 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.419 -13.115 -8.621 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.157 -12.978 -8.264 1.00 0.00 H new ATOM 87 N PRO A 7 10.673 -14.903 -4.953 1.00 0.00 N ATOM 88 CA PRO A 7 11.609 -15.578 -4.048 1.00 0.00 C ATOM 89 C PRO A 7 12.753 -16.254 -4.797 1.00 0.00 C ATOM 90 O PRO A 7 12.990 -15.974 -5.971 1.00 0.00 O ATOM 91 CB PRO A 7 10.735 -16.623 -3.350 1.00 0.00 C ATOM 92 CG PRO A 7 9.622 -16.886 -4.305 1.00 0.00 C ATOM 93 CD PRO A 7 9.369 -15.584 -5.013 1.00 0.00 C ATOM 0 HA PRO A 7 12.091 -14.880 -3.364 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.298 -17.532 -3.138 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.359 -16.252 -2.397 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.892 -17.669 -5.013 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.729 -17.225 -3.780 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.046 -15.742 -6.042 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.590 -15.003 -4.520 1.00 0.00 H new ATOM 101 N GLY A 8 13.459 -17.146 -4.108 1.00 0.00 N ATOM 102 CA GLY A 8 14.570 -17.847 -4.725 1.00 0.00 C ATOM 103 C GLY A 8 15.914 -17.292 -4.299 1.00 0.00 C ATOM 104 O GLY A 8 16.956 -17.716 -4.800 1.00 0.00 O ATOM 0 H GLY A 8 13.282 -17.395 -3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.518 -18.904 -4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.480 -17.781 -5.809 1.00 0.00 H new ATOM 108 N SER A 9 15.893 -16.340 -3.372 1.00 0.00 N ATOM 109 CA SER A 9 17.120 -15.721 -2.883 1.00 0.00 C ATOM 110 C SER A 9 16.827 -14.783 -1.716 1.00 0.00 C ATOM 111 O SER A 9 16.050 -13.836 -1.845 1.00 0.00 O ATOM 112 CB SER A 9 17.812 -14.952 -4.009 1.00 0.00 C ATOM 113 OG SER A 9 18.680 -15.797 -4.746 1.00 0.00 O ATOM 0 H SER A 9 15.040 -15.980 -2.944 1.00 0.00 H new ATOM 0 HA SER A 9 17.783 -16.512 -2.533 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.063 -14.525 -4.676 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.378 -14.120 -3.591 1.00 0.00 H new ATOM 0 HG SER A 9 18.215 -16.631 -4.967 1.00 0.00 H new ATOM 119 N LEU A 10 17.455 -15.052 -0.577 1.00 0.00 N ATOM 120 CA LEU A 10 17.264 -14.233 0.615 1.00 0.00 C ATOM 121 C LEU A 10 17.814 -12.826 0.402 1.00 0.00 C ATOM 122 O LEU A 10 17.077 -11.843 0.479 1.00 0.00 O ATOM 123 CB LEU A 10 17.946 -14.882 1.820 1.00 0.00 C ATOM 124 CG LEU A 10 17.381 -14.513 3.191 1.00 0.00 C ATOM 125 CD1 LEU A 10 18.040 -15.343 4.282 1.00 0.00 C ATOM 126 CD2 LEU A 10 17.569 -13.027 3.463 1.00 0.00 C ATOM 0 H LEU A 10 18.101 -15.831 -0.454 1.00 0.00 H new ATOM 0 HA LEU A 10 16.194 -14.160 0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.888 -15.964 1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.003 -14.615 1.801 1.00 0.00 H new ATOM 0 HG LEU A 10 16.313 -14.731 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.625 -15.066 5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 10 17.854 -16.401 4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 10 19.114 -15.158 4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.161 -12.782 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.632 -12.785 3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 10 17.049 -12.449 2.699 1.00 0.00 H new ATOM 138 N ASP A 11 19.112 -12.738 0.133 1.00 0.00 N ATOM 139 CA ASP A 11 19.760 -11.452 -0.095 1.00 0.00 C ATOM 140 C ASP A 11 19.058 -10.679 -1.207 1.00 0.00 C ATOM 141 O ASP A 11 18.951 -9.453 -1.155 1.00 0.00 O ATOM 142 CB ASP A 11 21.234 -11.655 -0.449 1.00 0.00 C ATOM 143 CG ASP A 11 21.812 -10.481 -1.215 1.00 0.00 C ATOM 144 OD1 ASP A 11 21.870 -9.371 -0.645 1.00 0.00 O ATOM 145 OD2 ASP A 11 22.209 -10.673 -2.383 1.00 0.00 O ATOM 0 H ASP A 11 19.736 -13.542 0.068 1.00 0.00 H new ATOM 0 HA ASP A 11 19.692 -10.871 0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 11 21.807 -11.806 0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.340 -12.562 -1.045 1.00 0.00 H new ATOM 150 N LYS A 12 18.582 -11.403 -2.214 1.00 0.00 N ATOM 151 CA LYS A 12 17.890 -10.787 -3.340 1.00 0.00 C ATOM 152 C LYS A 12 16.581 -10.146 -2.890 1.00 0.00 C ATOM 153 O LYS A 12 16.362 -8.952 -3.093 1.00 0.00 O ATOM 154 CB LYS A 12 17.613 -11.828 -4.427 1.00 0.00 C ATOM 155 CG LYS A 12 17.008 -11.242 -5.691 1.00 0.00 C ATOM 156 CD LYS A 12 18.051 -10.519 -6.526 1.00 0.00 C ATOM 157 CE LYS A 12 18.523 -11.374 -7.691 1.00 0.00 C ATOM 158 NZ LYS A 12 18.283 -10.708 -9.001 1.00 0.00 N ATOM 0 H LYS A 12 18.663 -12.418 -2.273 1.00 0.00 H new ATOM 0 HA LYS A 12 18.534 -10.008 -3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.545 -12.333 -4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.938 -12.586 -4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 12 16.556 -12.039 -6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 12 16.209 -10.549 -5.426 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.633 -9.586 -6.904 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.902 -10.256 -5.898 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.587 -11.584 -7.580 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.005 -12.333 -7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.618 -11.323 -9.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.265 -10.530 -9.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.798 -9.805 -9.031 1.00 0.00 H new ATOM 172 N ALA A 13 15.716 -10.947 -2.277 1.00 0.00 N ATOM 173 CA ALA A 13 14.430 -10.457 -1.795 1.00 0.00 C ATOM 174 C ALA A 13 14.607 -9.216 -0.926 1.00 0.00 C ATOM 175 O ALA A 13 13.709 -8.378 -0.833 1.00 0.00 O ATOM 176 CB ALA A 13 13.706 -11.548 -1.021 1.00 0.00 C ATOM 0 H ALA A 13 15.882 -11.938 -2.102 1.00 0.00 H new ATOM 0 HA ALA A 13 13.827 -10.180 -2.660 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.748 -11.168 -0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.538 -12.406 -1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.313 -11.853 -0.168 1.00 0.00 H new ATOM 182 N LEU A 14 15.768 -9.106 -0.290 1.00 0.00 N ATOM 183 CA LEU A 14 16.062 -7.967 0.573 1.00 0.00 C ATOM 184 C LEU A 14 16.240 -6.694 -0.248 1.00 0.00 C ATOM 185 O LEU A 14 15.594 -5.680 0.013 1.00 0.00 O ATOM 186 CB LEU A 14 17.323 -8.238 1.396 1.00 0.00 C ATOM 187 CG LEU A 14 18.176 -7.016 1.739 1.00 0.00 C ATOM 188 CD1 LEU A 14 17.392 -6.045 2.609 1.00 0.00 C ATOM 189 CD2 LEU A 14 19.460 -7.441 2.435 1.00 0.00 C ATOM 0 H LEU A 14 16.521 -9.791 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 14 15.218 -7.826 1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.028 -8.723 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.944 -8.948 0.849 1.00 0.00 H new ATOM 0 HG LEU A 14 18.440 -6.509 0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 14 18.015 -5.182 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.501 -5.715 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.097 -6.541 3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.055 -6.559 2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.216 -7.972 3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.030 -8.097 1.777 1.00 0.00 H new ATOM 201 N ASN A 15 17.120 -6.755 -1.242 1.00 0.00 N ATOM 202 CA ASN A 15 17.382 -5.607 -2.102 1.00 0.00 C ATOM 203 C ASN A 15 16.127 -5.205 -2.870 1.00 0.00 C ATOM 204 O ASN A 15 15.917 -4.028 -3.163 1.00 0.00 O ATOM 205 CB ASN A 15 18.513 -5.925 -3.082 1.00 0.00 C ATOM 206 CG ASN A 15 18.000 -6.246 -4.473 1.00 0.00 C ATOM 207 OD1 ASN A 15 17.778 -5.349 -5.287 1.00 0.00 O ATOM 208 ND2 ASN A 15 17.809 -7.530 -4.751 1.00 0.00 N ATOM 0 H ASN A 15 17.664 -7.587 -1.472 1.00 0.00 H new ATOM 0 HA ASN A 15 17.682 -4.772 -1.469 1.00 0.00 H new ATOM 0 HB2 ASN A 15 19.193 -5.075 -3.136 1.00 0.00 H new ATOM 0 HB3 ASN A 15 19.089 -6.771 -2.706 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.465 -7.807 -5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 15 18.006 -8.239 -4.045 1.00 0.00 H new ATOM 215 N GLN A 16 15.296 -6.191 -3.193 1.00 0.00 N ATOM 216 CA GLN A 16 14.061 -5.940 -3.927 1.00 0.00 C ATOM 217 C GLN A 16 13.149 -4.996 -3.151 1.00 0.00 C ATOM 218 O GLN A 16 12.762 -3.940 -3.651 1.00 0.00 O ATOM 219 CB GLN A 16 13.334 -7.256 -4.208 1.00 0.00 C ATOM 220 CG GLN A 16 14.179 -8.269 -4.963 1.00 0.00 C ATOM 221 CD GLN A 16 13.847 -8.320 -6.441 1.00 0.00 C ATOM 222 OE1 GLN A 16 13.212 -7.412 -6.978 1.00 0.00 O ATOM 223 NE2 GLN A 16 14.275 -9.386 -7.108 1.00 0.00 N ATOM 0 H GLN A 16 15.455 -7.171 -2.958 1.00 0.00 H new ATOM 0 HA GLN A 16 14.320 -5.467 -4.874 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.015 -7.694 -3.262 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.432 -7.047 -4.783 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.233 -8.021 -4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.031 -9.257 -4.527 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.798 -10.115 -6.623 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.081 -9.476 -8.105 1.00 0.00 H new ATOM 232 N TYR A 17 12.809 -5.384 -1.927 1.00 0.00 N ATOM 233 CA TYR A 17 11.939 -4.574 -1.082 1.00 0.00 C ATOM 234 C TYR A 17 12.678 -3.347 -0.558 1.00 0.00 C ATOM 235 O TYR A 17 12.096 -2.272 -0.413 1.00 0.00 O ATOM 236 CB TYR A 17 11.412 -5.405 0.089 1.00 0.00 C ATOM 237 CG TYR A 17 12.249 -5.283 1.343 1.00 0.00 C ATOM 238 CD1 TYR A 17 11.991 -4.291 2.281 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.298 -6.161 1.589 1.00 0.00 C ATOM 240 CE1 TYR A 17 12.753 -4.176 3.427 1.00 0.00 C ATOM 241 CE2 TYR A 17 14.065 -6.054 2.733 1.00 0.00 C ATOM 242 CZ TYR A 17 13.789 -5.060 3.649 1.00 0.00 C ATOM 243 OH TYR A 17 14.550 -4.949 4.790 1.00 0.00 O ATOM 0 H TYR A 17 13.123 -6.254 -1.498 1.00 0.00 H new ATOM 0 HA TYR A 17 11.097 -4.238 -1.687 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.391 -5.096 0.312 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.370 -6.453 -0.209 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.180 -3.598 2.111 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.517 -6.940 0.874 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.539 -3.398 4.145 1.00 0.00 H new ATOM 0 HE2 TYR A 17 14.876 -6.745 2.909 1.00 0.00 H new ATOM 0 HH TYR A 17 15.491 -4.826 4.545 1.00 0.00 H new ATOM 253 N ALA A 18 13.966 -3.515 -0.276 1.00 0.00 N ATOM 254 CA ALA A 18 14.787 -2.422 0.230 1.00 0.00 C ATOM 255 C ALA A 18 14.817 -1.257 -0.754 1.00 0.00 C ATOM 256 O ALA A 18 14.765 -0.094 -0.355 1.00 0.00 O ATOM 257 CB ALA A 18 16.199 -2.911 0.515 1.00 0.00 C ATOM 0 H ALA A 18 14.463 -4.398 -0.390 1.00 0.00 H new ATOM 0 HA ALA A 18 14.343 -2.067 1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.801 -2.084 0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.165 -3.705 1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.644 -3.294 -0.403 1.00 0.00 H new ATOM 263 N ALA A 19 14.902 -1.578 -2.041 1.00 0.00 N ATOM 264 CA ALA A 19 14.937 -0.558 -3.081 1.00 0.00 C ATOM 265 C ALA A 19 13.551 0.031 -3.320 1.00 0.00 C ATOM 266 O ALA A 19 13.419 1.161 -3.791 1.00 0.00 O ATOM 267 CB ALA A 19 15.495 -1.140 -4.372 1.00 0.00 C ATOM 0 H ALA A 19 14.948 -2.536 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 19 15.591 0.246 -2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 19 15.516 -0.367 -5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.507 -1.506 -4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.863 -1.964 -4.703 1.00 0.00 H new ATOM 273 N HIS A 20 12.520 -0.742 -2.993 1.00 0.00 N ATOM 274 CA HIS A 20 11.143 -0.296 -3.172 1.00 0.00 C ATOM 275 C HIS A 20 10.745 0.690 -2.078 1.00 0.00 C ATOM 276 O HIS A 20 9.871 1.534 -2.277 1.00 0.00 O ATOM 277 CB HIS A 20 10.192 -1.493 -3.168 1.00 0.00 C ATOM 278 CG HIS A 20 10.127 -2.211 -4.481 1.00 0.00 C ATOM 279 ND1 HIS A 20 10.065 -1.558 -5.694 1.00 0.00 N ATOM 280 CD2 HIS A 20 10.117 -3.534 -4.767 1.00 0.00 C ATOM 281 CE1 HIS A 20 10.018 -2.448 -6.669 1.00 0.00 C ATOM 282 NE2 HIS A 20 10.048 -3.655 -6.133 1.00 0.00 N ATOM 0 H HIS A 20 12.612 -1.680 -2.603 1.00 0.00 H new ATOM 0 HA HIS A 20 11.073 0.210 -4.135 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.507 -2.194 -2.395 1.00 0.00 H new ATOM 0 HB3 HIS A 20 9.192 -1.151 -2.900 1.00 0.00 H new ATOM 0 HD2 HIS A 20 10.156 -4.344 -4.053 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.964 -2.227 -7.725 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.024 -4.534 -6.650 1.00 0.00 H new ATOM 290 N SER A 21 11.390 0.575 -0.921 1.00 0.00 N ATOM 291 CA SER A 21 11.100 1.453 0.206 1.00 0.00 C ATOM 292 C SER A 21 11.941 2.724 0.137 1.00 0.00 C ATOM 293 O SER A 21 11.416 3.820 -0.052 1.00 0.00 O ATOM 294 CB SER A 21 11.362 0.726 1.526 1.00 0.00 C ATOM 295 OG SER A 21 11.183 1.594 2.632 1.00 0.00 O ATOM 0 H SER A 21 12.117 -0.118 -0.740 1.00 0.00 H new ATOM 0 HA SER A 21 10.048 1.732 0.155 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.688 -0.126 1.616 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.378 0.330 1.531 1.00 0.00 H new ATOM 0 HG SER A 21 12.033 2.034 2.844 1.00 0.00 H new ATOM 301 N GLY A 22 13.253 2.567 0.290 1.00 0.00 N ATOM 302 CA GLY A 22 14.147 3.709 0.242 1.00 0.00 C ATOM 303 C GLY A 22 14.971 3.854 1.506 1.00 0.00 C ATOM 304 O GLY A 22 15.462 4.940 1.815 1.00 0.00 O ATOM 0 H GLY A 22 13.712 1.670 0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.815 3.608 -0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.564 4.617 0.086 1.00 0.00 H new ATOM 308 N PHE A 23 15.123 2.757 2.240 1.00 0.00 N ATOM 309 CA PHE A 23 15.891 2.767 3.480 1.00 0.00 C ATOM 310 C PHE A 23 17.037 1.762 3.418 1.00 0.00 C ATOM 311 O PHE A 23 17.126 0.960 2.487 1.00 0.00 O ATOM 312 CB PHE A 23 14.983 2.449 4.670 1.00 0.00 C ATOM 313 CG PHE A 23 14.718 0.981 4.847 1.00 0.00 C ATOM 314 CD1 PHE A 23 13.980 0.279 3.908 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.208 0.304 5.951 1.00 0.00 C ATOM 316 CE1 PHE A 23 13.734 -1.071 4.069 1.00 0.00 C ATOM 317 CE2 PHE A 23 14.966 -1.047 6.117 1.00 0.00 C ATOM 318 CZ PHE A 23 14.229 -1.735 5.174 1.00 0.00 C ATOM 0 H PHE A 23 14.725 1.850 1.998 1.00 0.00 H new ATOM 0 HA PHE A 23 16.312 3.764 3.609 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.439 2.840 5.579 1.00 0.00 H new ATOM 0 HB3 PHE A 23 14.033 2.968 4.541 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.593 0.793 3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.786 0.838 6.691 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.155 -1.607 3.331 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.353 -1.563 6.983 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.040 -2.791 5.300 1.00 0.00 H new ATOM 328 N THR A 24 17.915 1.811 4.415 1.00 0.00 N ATOM 329 CA THR A 24 19.057 0.907 4.474 1.00 0.00 C ATOM 330 C THR A 24 18.851 -0.170 5.532 1.00 0.00 C ATOM 331 O THR A 24 18.142 0.040 6.518 1.00 0.00 O ATOM 332 CB THR A 24 20.360 1.669 4.780 1.00 0.00 C ATOM 333 OG1 THR A 24 20.509 2.769 3.876 1.00 0.00 O ATOM 334 CG2 THR A 24 21.565 0.746 4.667 1.00 0.00 C ATOM 0 H THR A 24 17.857 2.468 5.193 1.00 0.00 H new ATOM 0 HA THR A 24 19.140 0.438 3.494 1.00 0.00 H new ATOM 0 HB THR A 24 20.304 2.045 5.802 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.339 3.249 4.079 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.474 1.306 4.887 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.463 -0.074 5.377 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.622 0.345 3.655 1.00 0.00 H new ATOM 342 N LEU A 25 19.474 -1.325 5.323 1.00 0.00 N ATOM 343 CA LEU A 25 19.359 -2.437 6.260 1.00 0.00 C ATOM 344 C LEU A 25 20.706 -3.128 6.452 1.00 0.00 C ATOM 345 O LEU A 25 21.380 -3.475 5.483 1.00 0.00 O ATOM 346 CB LEU A 25 18.323 -3.445 5.762 1.00 0.00 C ATOM 347 CG LEU A 25 18.004 -4.604 6.707 1.00 0.00 C ATOM 348 CD1 LEU A 25 16.645 -4.403 7.359 1.00 0.00 C ATOM 349 CD2 LEU A 25 18.049 -5.929 5.961 1.00 0.00 C ATOM 0 H LEU A 25 20.064 -1.516 4.513 1.00 0.00 H new ATOM 0 HA LEU A 25 19.035 -2.038 7.221 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.397 -2.910 5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.674 -3.859 4.817 1.00 0.00 H new ATOM 0 HG LEU A 25 18.761 -4.626 7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.435 -5.238 8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.649 -3.474 7.928 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.876 -4.353 6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.819 -6.742 6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.315 -5.918 5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.045 -6.078 5.543 1.00 0.00 H new ATOM 361 N SER A 26 21.089 -3.325 7.709 1.00 0.00 N ATOM 362 CA SER A 26 22.356 -3.974 8.029 1.00 0.00 C ATOM 363 C SER A 26 22.121 -5.320 8.708 1.00 0.00 C ATOM 364 O SER A 26 21.796 -5.382 9.894 1.00 0.00 O ATOM 365 CB SER A 26 23.200 -3.074 8.934 1.00 0.00 C ATOM 366 OG SER A 26 24.549 -3.039 8.503 1.00 0.00 O ATOM 0 H SER A 26 20.541 -3.045 8.522 1.00 0.00 H new ATOM 0 HA SER A 26 22.893 -4.146 7.096 1.00 0.00 H new ATOM 0 HB2 SER A 26 22.789 -2.065 8.934 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.152 -3.438 9.960 1.00 0.00 H new ATOM 0 HG SER A 26 25.067 -2.456 9.096 1.00 0.00 H new ATOM 372 N VAL A 27 22.289 -6.397 7.947 1.00 0.00 N ATOM 373 CA VAL A 27 22.096 -7.742 8.474 1.00 0.00 C ATOM 374 C VAL A 27 23.257 -8.654 8.090 1.00 0.00 C ATOM 375 O VAL A 27 23.746 -8.610 6.961 1.00 0.00 O ATOM 376 CB VAL A 27 20.781 -8.362 7.964 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.667 -8.207 6.455 1.00 0.00 C ATOM 378 CG2 VAL A 27 20.692 -9.826 8.366 1.00 0.00 C ATOM 0 H VAL A 27 22.558 -6.364 6.964 1.00 0.00 H new ATOM 0 HA VAL A 27 22.050 -7.653 9.559 1.00 0.00 H new ATOM 0 HB VAL A 27 19.947 -7.831 8.423 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.732 -8.651 6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.682 -7.148 6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.505 -8.711 5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.757 -10.248 7.998 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.531 -10.373 7.936 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.724 -9.908 9.452 1.00 0.00 H new ATOM 388 N ASP A 28 23.691 -9.479 9.036 1.00 0.00 N ATOM 389 CA ASP A 28 24.794 -10.403 8.797 1.00 0.00 C ATOM 390 C ASP A 28 24.553 -11.221 7.532 1.00 0.00 C ATOM 391 O ASP A 28 23.776 -12.175 7.537 1.00 0.00 O ATOM 392 CB ASP A 28 24.975 -11.336 9.995 1.00 0.00 C ATOM 393 CG ASP A 28 25.294 -10.583 11.272 1.00 0.00 C ATOM 394 OD1 ASP A 28 24.389 -9.906 11.804 1.00 0.00 O ATOM 395 OD2 ASP A 28 26.449 -10.670 11.739 1.00 0.00 O ATOM 0 H ASP A 28 23.296 -9.527 9.975 1.00 0.00 H new ATOM 0 HA ASP A 28 25.703 -9.817 8.662 1.00 0.00 H new ATOM 0 HB2 ASP A 28 24.065 -11.919 10.138 1.00 0.00 H new ATOM 0 HB3 ASP A 28 25.777 -12.043 9.783 1.00 0.00 H new ATOM 524 N SER A 37 14.325 -16.764 0.953 1.00 0.00 N ATOM 525 CA SER A 37 13.253 -16.100 1.684 1.00 0.00 C ATOM 526 C SER A 37 12.002 -15.972 0.820 1.00 0.00 C ATOM 527 O SER A 37 12.083 -15.946 -0.408 1.00 0.00 O ATOM 528 CB SER A 37 13.707 -14.715 2.151 1.00 0.00 C ATOM 529 OG SER A 37 12.596 -13.881 2.430 1.00 0.00 O ATOM 0 HA SER A 37 13.011 -16.709 2.555 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.325 -14.813 3.043 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.328 -14.254 1.383 1.00 0.00 H new ATOM 0 HG SER A 37 12.189 -14.152 3.279 1.00 0.00 H new ATOM 535 N ASN A 38 10.846 -15.894 1.470 1.00 0.00 N ATOM 536 CA ASN A 38 9.577 -15.770 0.762 1.00 0.00 C ATOM 537 C ASN A 38 9.372 -14.344 0.259 1.00 0.00 C ATOM 538 O ASN A 38 9.437 -13.387 1.030 1.00 0.00 O ATOM 539 CB ASN A 38 8.418 -16.172 1.675 1.00 0.00 C ATOM 540 CG ASN A 38 8.197 -17.672 1.701 1.00 0.00 C ATOM 541 OD1 ASN A 38 8.755 -18.379 2.541 1.00 0.00 O ATOM 542 ND2 ASN A 38 7.379 -18.166 0.779 1.00 0.00 N ATOM 0 H ASN A 38 10.761 -15.914 2.486 1.00 0.00 H new ATOM 0 HA ASN A 38 9.602 -16.440 -0.098 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.617 -15.819 2.687 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.506 -15.679 1.339 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.192 -19.168 0.748 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.938 -17.543 0.102 1.00 0.00 H new ATOM 549 N GLY A 39 9.123 -14.210 -1.040 1.00 0.00 N ATOM 550 CA GLY A 39 8.911 -12.898 -1.623 1.00 0.00 C ATOM 551 C GLY A 39 7.706 -12.190 -1.036 1.00 0.00 C ATOM 552 O GLY A 39 7.067 -12.697 -0.113 1.00 0.00 O ATOM 0 H GLY A 39 9.064 -14.986 -1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.800 -12.286 -1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.780 -13.000 -2.700 1.00 0.00 H new ATOM 556 N LEU A 40 7.395 -11.014 -1.570 1.00 0.00 N ATOM 557 CA LEU A 40 6.258 -10.234 -1.093 1.00 0.00 C ATOM 558 C LEU A 40 5.131 -10.228 -2.120 1.00 0.00 C ATOM 559 O LEU A 40 5.359 -10.453 -3.309 1.00 0.00 O ATOM 560 CB LEU A 40 6.693 -8.799 -0.787 1.00 0.00 C ATOM 561 CG LEU A 40 5.693 -7.947 -0.005 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.310 -8.635 1.297 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.268 -6.566 0.269 1.00 0.00 C ATOM 0 H LEU A 40 7.914 -10.580 -2.333 1.00 0.00 H new ATOM 0 HA LEU A 40 5.888 -10.699 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.626 -8.836 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.908 -8.297 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 40 4.793 -7.830 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.598 -8.014 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.856 -9.601 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.202 -8.783 1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.542 -5.974 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.183 -6.662 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.491 -6.071 -0.676 1.00 0.00 H new ATOM 575 N HIS A 41 3.914 -9.968 -1.653 1.00 0.00 N ATOM 576 CA HIS A 41 2.750 -9.930 -2.532 1.00 0.00 C ATOM 577 C HIS A 41 1.594 -9.184 -1.872 1.00 0.00 C ATOM 578 O HIS A 41 0.895 -9.732 -1.021 1.00 0.00 O ATOM 579 CB HIS A 41 2.314 -11.350 -2.897 1.00 0.00 C ATOM 580 CG HIS A 41 2.017 -11.529 -4.354 1.00 0.00 C ATOM 581 ND1 HIS A 41 2.059 -12.754 -4.986 1.00 0.00 N ATOM 582 CD2 HIS A 41 1.669 -10.629 -5.304 1.00 0.00 C ATOM 583 CE1 HIS A 41 1.752 -12.600 -6.262 1.00 0.00 C ATOM 584 NE2 HIS A 41 1.510 -11.320 -6.480 1.00 0.00 N ATOM 0 H HIS A 41 3.708 -9.781 -0.672 1.00 0.00 H new ATOM 0 HA HIS A 41 3.030 -9.398 -3.442 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.099 -12.048 -2.606 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.427 -11.609 -2.319 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.540 -9.566 -5.163 1.00 0.00 H new ATOM 0 HE1 HIS A 41 1.707 -13.387 -7.001 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.247 -10.911 -7.377 1.00 0.00 H new ATOM 592 N GLY A 42 1.401 -7.931 -2.270 1.00 0.00 N ATOM 593 CA GLY A 42 0.330 -7.130 -1.706 1.00 0.00 C ATOM 594 C GLY A 42 0.811 -5.775 -1.225 1.00 0.00 C ATOM 595 O GLY A 42 1.990 -5.445 -1.354 1.00 0.00 O ATOM 0 H GLY A 42 1.967 -7.456 -2.973 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.449 -6.991 -2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.122 -7.668 -0.873 1.00 0.00 H new ATOM 599 N ASP A 43 -0.104 -4.987 -0.671 1.00 0.00 N ATOM 600 CA ASP A 43 0.232 -3.660 -0.171 1.00 0.00 C ATOM 601 C ASP A 43 0.802 -3.740 1.242 1.00 0.00 C ATOM 602 O ASP A 43 0.078 -4.014 2.200 1.00 0.00 O ATOM 603 CB ASP A 43 -1.003 -2.757 -0.185 1.00 0.00 C ATOM 604 CG ASP A 43 -2.152 -3.336 0.617 1.00 0.00 C ATOM 605 OD1 ASP A 43 -2.895 -4.176 0.069 1.00 0.00 O ATOM 606 OD2 ASP A 43 -2.308 -2.948 1.794 1.00 0.00 O ATOM 0 H ASP A 43 -1.084 -5.245 -0.557 1.00 0.00 H new ATOM 0 HA ASP A 43 0.991 -3.234 -0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.739 -1.779 0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.324 -2.602 -1.215 1.00 0.00 H new ATOM 611 N TYR A 44 2.103 -3.501 1.365 1.00 0.00 N ATOM 612 CA TYR A 44 2.770 -3.550 2.660 1.00 0.00 C ATOM 613 C TYR A 44 3.843 -2.470 2.761 1.00 0.00 C ATOM 614 O TYR A 44 4.722 -2.370 1.905 1.00 0.00 O ATOM 615 CB TYR A 44 3.396 -4.928 2.883 1.00 0.00 C ATOM 616 CG TYR A 44 2.392 -6.058 2.872 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.515 -6.244 3.934 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.319 -6.939 1.800 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.596 -7.276 3.929 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.402 -7.973 1.786 1.00 0.00 C ATOM 621 CZ TYR A 44 0.544 -8.138 2.853 1.00 0.00 C ATOM 622 OH TYR A 44 -0.371 -9.166 2.844 1.00 0.00 O ATOM 0 H TYR A 44 2.716 -3.271 0.583 1.00 0.00 H new ATOM 0 HA TYR A 44 2.023 -3.368 3.432 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.142 -5.108 2.109 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.921 -4.929 3.838 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.552 -5.571 4.777 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.990 -6.814 0.963 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.078 -7.407 4.763 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.358 -8.648 0.944 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.278 -9.680 2.015 1.00 0.00 H new ATOM 632 N ASP A 45 3.763 -1.664 3.814 1.00 0.00 N ATOM 633 CA ASP A 45 4.727 -0.591 4.031 1.00 0.00 C ATOM 634 C ASP A 45 6.143 -1.147 4.139 1.00 0.00 C ATOM 635 O ASP A 45 6.366 -2.346 3.969 1.00 0.00 O ATOM 636 CB ASP A 45 4.375 0.192 5.296 1.00 0.00 C ATOM 637 CG ASP A 45 2.986 0.798 5.235 1.00 0.00 C ATOM 638 OD1 ASP A 45 2.830 1.860 4.598 1.00 0.00 O ATOM 639 OD2 ASP A 45 2.056 0.209 5.824 1.00 0.00 O ATOM 0 H ASP A 45 3.041 -1.733 4.531 1.00 0.00 H new ATOM 0 HA ASP A 45 4.684 0.081 3.174 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.442 -0.470 6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.108 0.985 5.445 1.00 0.00 H new ATOM 644 N VAL A 46 7.099 -0.267 4.421 1.00 0.00 N ATOM 645 CA VAL A 46 8.494 -0.669 4.552 1.00 0.00 C ATOM 646 C VAL A 46 8.666 -1.707 5.655 1.00 0.00 C ATOM 647 O VAL A 46 9.333 -2.723 5.466 1.00 0.00 O ATOM 648 CB VAL A 46 9.401 0.539 4.852 1.00 0.00 C ATOM 649 CG1 VAL A 46 8.881 1.311 6.055 1.00 0.00 C ATOM 650 CG2 VAL A 46 10.835 0.085 5.079 1.00 0.00 C ATOM 0 H VAL A 46 6.932 0.729 4.563 1.00 0.00 H new ATOM 0 HA VAL A 46 8.788 -1.106 3.598 1.00 0.00 H new ATOM 0 HB VAL A 46 9.387 1.205 3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.534 2.161 6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.872 1.669 5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.863 0.657 6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.462 0.951 5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.870 -0.602 5.924 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.202 -0.420 4.186 1.00 0.00 H new ATOM 660 N GLU A 47 8.059 -1.443 6.808 1.00 0.00 N ATOM 661 CA GLU A 47 8.145 -2.354 7.943 1.00 0.00 C ATOM 662 C GLU A 47 7.284 -3.593 7.712 1.00 0.00 C ATOM 663 O GLU A 47 7.757 -4.723 7.835 1.00 0.00 O ATOM 664 CB GLU A 47 7.708 -1.648 9.228 1.00 0.00 C ATOM 665 CG GLU A 47 8.705 -0.614 9.723 1.00 0.00 C ATOM 666 CD GLU A 47 8.044 0.511 10.496 1.00 0.00 C ATOM 667 OE1 GLU A 47 7.506 1.436 9.853 1.00 0.00 O ATOM 668 OE2 GLU A 47 8.065 0.465 11.744 1.00 0.00 O ATOM 0 H GLU A 47 7.503 -0.606 6.980 1.00 0.00 H new ATOM 0 HA GLU A 47 9.184 -2.668 8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.748 -1.162 9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.553 -2.394 10.008 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.443 -1.102 10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.243 -0.197 8.872 1.00 0.00 H new ATOM 675 N SER A 48 6.017 -3.372 7.378 1.00 0.00 N ATOM 676 CA SER A 48 5.088 -4.469 7.134 1.00 0.00 C ATOM 677 C SER A 48 5.637 -5.421 6.077 1.00 0.00 C ATOM 678 O SER A 48 5.690 -6.633 6.283 1.00 0.00 O ATOM 679 CB SER A 48 3.728 -3.925 6.691 1.00 0.00 C ATOM 680 OG SER A 48 2.750 -4.114 7.699 1.00 0.00 O ATOM 0 H SER A 48 5.610 -2.443 7.270 1.00 0.00 H new ATOM 0 HA SER A 48 4.964 -5.021 8.065 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.815 -2.864 6.459 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.413 -4.426 5.776 1.00 0.00 H new ATOM 0 HG SER A 48 1.891 -3.757 7.392 1.00 0.00 H new ATOM 686 N GLY A 49 6.045 -4.862 4.941 1.00 0.00 N ATOM 687 CA GLY A 49 6.585 -5.675 3.866 1.00 0.00 C ATOM 688 C GLY A 49 7.891 -6.344 4.246 1.00 0.00 C ATOM 689 O GLY A 49 8.137 -7.494 3.879 1.00 0.00 O ATOM 0 H GLY A 49 6.011 -3.861 4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.857 -6.437 3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.742 -5.051 2.986 1.00 0.00 H new ATOM 693 N LEU A 50 8.731 -5.623 4.979 1.00 0.00 N ATOM 694 CA LEU A 50 10.021 -6.154 5.407 1.00 0.00 C ATOM 695 C LEU A 50 9.842 -7.426 6.229 1.00 0.00 C ATOM 696 O LEU A 50 10.441 -8.458 5.930 1.00 0.00 O ATOM 697 CB LEU A 50 10.779 -5.107 6.226 1.00 0.00 C ATOM 698 CG LEU A 50 11.770 -5.649 7.257 1.00 0.00 C ATOM 699 CD1 LEU A 50 12.790 -6.558 6.590 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.465 -4.505 7.981 1.00 0.00 C ATOM 0 H LEU A 50 8.543 -4.670 5.290 1.00 0.00 H new ATOM 0 HA LEU A 50 10.599 -6.398 4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.321 -4.459 5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.051 -4.484 6.745 1.00 0.00 H new ATOM 0 HG LEU A 50 11.217 -6.235 7.991 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.487 -6.934 7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.277 -7.396 6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.338 -5.996 5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.167 -4.909 8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.005 -3.892 7.259 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.722 -3.893 8.492 1.00 0.00 H new ATOM 712 N GLN A 51 9.012 -7.343 7.264 1.00 0.00 N ATOM 713 CA GLN A 51 8.753 -8.489 8.128 1.00 0.00 C ATOM 714 C GLN A 51 8.074 -9.613 7.352 1.00 0.00 C ATOM 715 O GLN A 51 8.194 -10.785 7.707 1.00 0.00 O ATOM 716 CB GLN A 51 7.881 -8.074 9.314 1.00 0.00 C ATOM 717 CG GLN A 51 8.463 -6.925 10.123 1.00 0.00 C ATOM 718 CD GLN A 51 9.193 -7.398 11.365 1.00 0.00 C ATOM 719 OE1 GLN A 51 8.653 -7.357 12.470 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.429 -7.850 11.188 1.00 0.00 N ATOM 0 H GLN A 51 8.508 -6.495 7.524 1.00 0.00 H new ATOM 0 HA GLN A 51 9.710 -8.855 8.500 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.896 -7.787 8.947 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.739 -8.934 9.969 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.150 -6.356 9.497 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.661 -6.247 10.414 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.837 -7.866 10.253 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.970 -8.181 11.987 1.00 0.00 H new ATOM 729 N GLN A 52 7.360 -9.247 6.292 1.00 0.00 N ATOM 730 CA GLN A 52 6.661 -10.225 5.467 1.00 0.00 C ATOM 731 C GLN A 52 7.648 -11.048 4.645 1.00 0.00 C ATOM 732 O GLN A 52 7.376 -12.200 4.301 1.00 0.00 O ATOM 733 CB GLN A 52 5.667 -9.524 4.539 1.00 0.00 C ATOM 734 CG GLN A 52 4.216 -9.871 4.829 1.00 0.00 C ATOM 735 CD GLN A 52 3.980 -11.366 4.917 1.00 0.00 C ATOM 736 OE1 GLN A 52 3.636 -11.891 5.977 1.00 0.00 O ATOM 737 NE2 GLN A 52 4.164 -12.062 3.801 1.00 0.00 N ATOM 0 H GLN A 52 7.251 -8.281 5.985 1.00 0.00 H new ATOM 0 HA GLN A 52 6.116 -10.898 6.129 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.799 -8.446 4.627 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.896 -9.790 3.507 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.915 -9.404 5.767 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.583 -9.452 4.047 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.449 -11.587 2.945 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.020 -13.072 3.800 1.00 0.00 H new ATOM 746 N LEU A 53 8.793 -10.452 4.334 1.00 0.00 N ATOM 747 CA LEU A 53 9.821 -11.130 3.552 1.00 0.00 C ATOM 748 C LEU A 53 10.564 -12.155 4.402 1.00 0.00 C ATOM 749 O LEU A 53 10.658 -13.328 4.039 1.00 0.00 O ATOM 750 CB LEU A 53 10.809 -10.112 2.980 1.00 0.00 C ATOM 751 CG LEU A 53 10.869 -10.018 1.455 1.00 0.00 C ATOM 752 CD1 LEU A 53 9.475 -10.140 0.858 1.00 0.00 C ATOM 753 CD2 LEU A 53 11.522 -8.712 1.026 1.00 0.00 C ATOM 0 H LEU A 53 9.033 -9.500 4.611 1.00 0.00 H new ATOM 0 HA LEU A 53 9.332 -11.653 2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.555 -9.128 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.805 -10.356 3.348 1.00 0.00 H new ATOM 0 HG LEU A 53 11.476 -10.844 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.537 -10.071 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.043 -11.101 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.845 -9.335 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.556 -8.663 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.942 -7.872 1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.536 -8.664 1.423 1.00 0.00 H new ATOM 765 N LEU A 54 11.090 -11.706 5.536 1.00 0.00 N ATOM 766 CA LEU A 54 11.823 -12.584 6.441 1.00 0.00 C ATOM 767 C LEU A 54 10.866 -13.442 7.262 1.00 0.00 C ATOM 768 O LEU A 54 11.291 -14.330 8.002 1.00 0.00 O ATOM 769 CB LEU A 54 12.715 -11.761 7.372 1.00 0.00 C ATOM 770 CG LEU A 54 12.221 -11.605 8.811 1.00 0.00 C ATOM 771 CD1 LEU A 54 13.137 -10.677 9.592 1.00 0.00 C ATOM 772 CD2 LEU A 54 10.790 -11.087 8.830 1.00 0.00 C ATOM 0 H LEU A 54 11.022 -10.738 5.851 1.00 0.00 H new ATOM 0 HA LEU A 54 12.448 -13.244 5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.703 -12.221 7.396 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.837 -10.767 6.941 1.00 0.00 H new ATOM 0 HG LEU A 54 12.238 -12.584 9.289 1.00 0.00 H new ATOM 0 HD11 LEU A 54 12.770 -10.578 10.613 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.146 -11.090 9.607 1.00 0.00 H new ATOM 0 HD13 LEU A 54 13.153 -9.697 9.116 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.455 -10.982 9.862 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.747 -10.117 8.334 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.142 -11.790 8.308 1.00 0.00 H new ATOM 784 N ASP A 55 9.573 -13.172 7.126 1.00 0.00 N ATOM 785 CA ASP A 55 8.554 -13.921 7.852 1.00 0.00 C ATOM 786 C ASP A 55 8.805 -15.422 7.747 1.00 0.00 C ATOM 787 O ASP A 55 8.749 -15.996 6.660 1.00 0.00 O ATOM 788 CB ASP A 55 7.162 -13.585 7.315 1.00 0.00 C ATOM 789 CG ASP A 55 6.132 -14.636 7.679 1.00 0.00 C ATOM 790 OD1 ASP A 55 5.871 -14.818 8.887 1.00 0.00 O ATOM 791 OD2 ASP A 55 5.586 -15.276 6.756 1.00 0.00 O ATOM 0 H ASP A 55 9.205 -12.439 6.519 1.00 0.00 H new ATOM 0 HA ASP A 55 8.608 -13.634 8.902 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.847 -12.619 7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.208 -13.486 6.230 1.00 0.00 H new ATOM 796 N GLY A 56 9.083 -16.053 8.884 1.00 0.00 N ATOM 797 CA GLY A 56 9.339 -17.481 8.898 1.00 0.00 C ATOM 798 C GLY A 56 10.559 -17.843 9.722 1.00 0.00 C ATOM 799 O GLY A 56 10.828 -19.021 9.959 1.00 0.00 O ATOM 0 H GLY A 56 9.135 -15.600 9.796 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.467 -17.999 9.298 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.478 -17.832 7.876 1.00 0.00 H new ATOM 803 N SER A 57 11.298 -16.829 10.159 1.00 0.00 N ATOM 804 CA SER A 57 12.499 -17.047 10.958 1.00 0.00 C ATOM 805 C SER A 57 12.287 -16.583 12.395 1.00 0.00 C ATOM 806 O SER A 57 12.673 -17.265 13.343 1.00 0.00 O ATOM 807 CB SER A 57 13.688 -16.308 10.341 1.00 0.00 C ATOM 808 OG SER A 57 13.316 -15.009 9.914 1.00 0.00 O ATOM 0 H SER A 57 11.087 -15.848 9.974 1.00 0.00 H new ATOM 0 HA SER A 57 12.710 -18.116 10.968 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.494 -16.237 11.071 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.073 -16.876 9.494 1.00 0.00 H new ATOM 0 HG SER A 57 12.702 -15.078 9.153 1.00 0.00 H new ATOM 814 N GLY A 58 11.670 -15.415 12.549 1.00 0.00 N ATOM 815 CA GLY A 58 11.417 -14.877 13.873 1.00 0.00 C ATOM 816 C GLY A 58 12.622 -14.158 14.447 1.00 0.00 C ATOM 817 O GLY A 58 13.465 -14.771 15.103 1.00 0.00 O ATOM 0 H GLY A 58 11.341 -14.832 11.780 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.574 -14.187 13.827 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.129 -15.688 14.542 1.00 0.00 H new ATOM 821 N LEU A 59 12.705 -12.856 14.198 1.00 0.00 N ATOM 822 CA LEU A 59 13.818 -12.053 14.693 1.00 0.00 C ATOM 823 C LEU A 59 13.355 -10.643 15.049 1.00 0.00 C ATOM 824 O LEU A 59 12.204 -10.279 14.810 1.00 0.00 O ATOM 825 CB LEU A 59 14.931 -11.987 13.647 1.00 0.00 C ATOM 826 CG LEU A 59 15.760 -13.259 13.468 1.00 0.00 C ATOM 827 CD1 LEU A 59 15.367 -13.978 12.187 1.00 0.00 C ATOM 828 CD2 LEU A 59 17.246 -12.931 13.463 1.00 0.00 C ATOM 0 H LEU A 59 12.016 -12.334 13.657 1.00 0.00 H new ATOM 0 HA LEU A 59 14.204 -12.528 15.595 1.00 0.00 H new ATOM 0 HB2 LEU A 59 14.485 -11.730 12.686 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.605 -11.173 13.913 1.00 0.00 H new ATOM 0 HG LEU A 59 15.557 -13.922 14.309 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.968 -14.881 12.077 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.312 -14.248 12.230 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.539 -13.322 11.334 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.821 -13.848 13.335 1.00 0.00 H new ATOM 0 HD22 LEU A 59 17.465 -12.248 12.642 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.518 -12.462 14.408 1.00 0.00 H new ATOM 840 N GLN A 60 14.260 -9.855 15.620 1.00 0.00 N ATOM 841 CA GLN A 60 13.945 -8.485 16.007 1.00 0.00 C ATOM 842 C GLN A 60 14.638 -7.486 15.086 1.00 0.00 C ATOM 843 O GLN A 60 15.756 -7.721 14.627 1.00 0.00 O ATOM 844 CB GLN A 60 14.361 -8.234 17.457 1.00 0.00 C ATOM 845 CG GLN A 60 15.855 -8.015 17.633 1.00 0.00 C ATOM 846 CD GLN A 60 16.419 -8.769 18.821 1.00 0.00 C ATOM 847 OE1 GLN A 60 16.489 -8.240 19.930 1.00 0.00 O ATOM 848 NE2 GLN A 60 16.826 -10.012 18.594 1.00 0.00 N ATOM 0 H GLN A 60 15.217 -10.142 15.825 1.00 0.00 H new ATOM 0 HA GLN A 60 12.868 -8.347 15.917 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.828 -7.361 17.833 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.053 -9.083 18.067 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.374 -8.330 16.728 1.00 0.00 H new ATOM 0 HG3 GLN A 60 16.050 -6.950 17.758 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.749 -10.411 17.658 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.215 -10.568 19.355 1.00 0.00 H new ATOM 857 N VAL A 61 13.967 -6.370 14.820 1.00 0.00 N ATOM 858 CA VAL A 61 14.518 -5.334 13.955 1.00 0.00 C ATOM 859 C VAL A 61 14.498 -3.975 14.643 1.00 0.00 C ATOM 860 O VAL A 61 13.437 -3.462 14.999 1.00 0.00 O ATOM 861 CB VAL A 61 13.741 -5.237 12.629 1.00 0.00 C ATOM 862 CG1 VAL A 61 14.542 -4.461 11.595 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.393 -6.626 12.113 1.00 0.00 C ATOM 0 H VAL A 61 13.040 -6.160 15.191 1.00 0.00 H new ATOM 0 HA VAL A 61 15.549 -5.615 13.743 1.00 0.00 H new ATOM 0 HB VAL A 61 12.811 -4.698 12.812 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.976 -4.403 10.665 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.735 -3.454 11.965 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.489 -4.969 11.413 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.844 -6.539 11.175 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.309 -7.192 11.946 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.776 -7.143 12.848 1.00 0.00 H new ATOM 873 N LYS A 62 15.679 -3.394 14.829 1.00 0.00 N ATOM 874 CA LYS A 62 15.799 -2.092 15.474 1.00 0.00 C ATOM 875 C LYS A 62 16.641 -1.141 14.628 1.00 0.00 C ATOM 876 O LYS A 62 17.673 -1.516 14.071 1.00 0.00 O ATOM 877 CB LYS A 62 16.422 -2.243 16.863 1.00 0.00 C ATOM 878 CG LYS A 62 17.635 -3.156 16.889 1.00 0.00 C ATOM 879 CD LYS A 62 17.262 -4.568 17.308 1.00 0.00 C ATOM 880 CE LYS A 62 17.322 -4.737 18.818 1.00 0.00 C ATOM 881 NZ LYS A 62 18.623 -5.310 19.261 1.00 0.00 N ATOM 0 H LYS A 62 16.567 -3.805 14.542 1.00 0.00 H new ATOM 0 HA LYS A 62 14.799 -1.671 15.575 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.711 -1.259 17.232 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.670 -2.632 17.549 1.00 0.00 H new ATOM 0 HG2 LYS A 62 18.096 -3.178 15.901 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.378 -2.755 17.578 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.257 -4.800 16.955 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.938 -5.280 16.834 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.169 -3.770 19.298 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.510 -5.387 19.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.624 -5.409 20.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.758 -6.244 18.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 19.397 -4.678 18.973 1.00 0.00 H new ATOM 895 N PRO A 63 16.193 0.119 14.530 1.00 0.00 N ATOM 896 CA PRO A 63 16.892 1.150 13.756 1.00 0.00 C ATOM 897 C PRO A 63 18.211 1.564 14.401 1.00 0.00 C ATOM 898 O PRO A 63 18.431 1.334 15.590 1.00 0.00 O ATOM 899 CB PRO A 63 15.907 2.321 13.754 1.00 0.00 C ATOM 900 CG PRO A 63 15.081 2.124 14.978 1.00 0.00 C ATOM 901 CD PRO A 63 14.971 0.636 15.168 1.00 0.00 C ATOM 0 HA PRO A 63 17.160 0.800 12.759 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.429 3.277 13.779 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.290 2.318 12.855 1.00 0.00 H new ATOM 0 HG2 PRO A 63 15.547 2.595 15.844 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.096 2.576 14.861 1.00 0.00 H new ATOM 0 HD2 PRO A 63 14.925 0.368 16.224 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.072 0.236 14.698 1.00 0.00 H new ATOM 909 N LEU A 64 19.084 2.177 13.609 1.00 0.00 N ATOM 910 CA LEU A 64 20.381 2.624 14.103 1.00 0.00 C ATOM 911 C LEU A 64 20.585 4.111 13.828 1.00 0.00 C ATOM 912 O LEU A 64 20.686 4.915 14.754 1.00 0.00 O ATOM 913 CB LEU A 64 21.504 1.815 13.451 1.00 0.00 C ATOM 914 CG LEU A 64 21.188 0.350 13.150 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.305 -0.281 12.333 1.00 0.00 C ATOM 916 CD2 LEU A 64 20.967 -0.424 14.441 1.00 0.00 C ATOM 0 H LEU A 64 18.917 2.376 12.623 1.00 0.00 H new ATOM 0 HA LEU A 64 20.406 2.465 15.181 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.783 2.305 12.518 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.377 1.851 14.103 1.00 0.00 H new ATOM 0 HG LEU A 64 20.270 0.310 12.564 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.062 -1.324 12.129 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.416 0.257 11.391 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.239 -0.229 12.893 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.743 -1.465 14.207 1.00 0.00 H new ATOM 0 HD22 LEU A 64 21.867 -0.375 15.053 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.132 0.013 14.989 1.00 0.00 H new ATOM 928 N GLY A 65 20.643 4.469 12.549 1.00 0.00 N ATOM 929 CA GLY A 65 20.832 5.858 12.175 1.00 0.00 C ATOM 930 C GLY A 65 19.848 6.313 11.117 1.00 0.00 C ATOM 931 O GLY A 65 18.644 6.370 11.363 1.00 0.00 O ATOM 0 H GLY A 65 20.562 3.821 11.765 1.00 0.00 H new ATOM 0 HA2 GLY A 65 20.726 6.487 13.059 1.00 0.00 H new ATOM 0 HA3 GLY A 65 21.848 5.996 11.805 1.00 0.00 H new ATOM 935 N ASN A 66 20.361 6.641 9.935 1.00 0.00 N ATOM 936 CA ASN A 66 19.518 7.095 8.835 1.00 0.00 C ATOM 937 C ASN A 66 18.644 5.959 8.314 1.00 0.00 C ATOM 938 O ASN A 66 19.048 5.209 7.426 1.00 0.00 O ATOM 939 CB ASN A 66 20.380 7.652 7.701 1.00 0.00 C ATOM 940 CG ASN A 66 19.908 9.014 7.230 1.00 0.00 C ATOM 941 OD1 ASN A 66 20.481 10.042 7.592 1.00 0.00 O ATOM 942 ND2 ASN A 66 18.856 9.028 6.419 1.00 0.00 N ATOM 0 H ASN A 66 21.356 6.601 9.715 1.00 0.00 H new ATOM 0 HA ASN A 66 18.868 7.886 9.211 1.00 0.00 H new ATOM 0 HB2 ASN A 66 21.414 7.725 8.037 1.00 0.00 H new ATOM 0 HB3 ASN A 66 20.366 6.956 6.862 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.492 9.915 6.071 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.412 8.152 6.145 1.00 0.00 H new ATOM 949 N ASN A 67 17.444 5.839 8.872 1.00 0.00 N ATOM 950 CA ASN A 67 16.512 4.794 8.463 1.00 0.00 C ATOM 951 C ASN A 67 17.237 3.466 8.263 1.00 0.00 C ATOM 952 O ASN A 67 16.872 2.673 7.396 1.00 0.00 O ATOM 953 CB ASN A 67 15.796 5.196 7.172 1.00 0.00 C ATOM 954 CG ASN A 67 16.751 5.346 6.004 1.00 0.00 C ATOM 955 OD1 ASN A 67 17.417 4.390 5.605 1.00 0.00 O ATOM 956 ND2 ASN A 67 16.824 6.550 5.449 1.00 0.00 N ATOM 0 H ASN A 67 17.094 6.452 9.608 1.00 0.00 H new ATOM 0 HA ASN A 67 15.774 4.670 9.256 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.043 4.446 6.928 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.269 6.137 7.330 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.450 6.711 4.660 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.254 7.314 5.812 1.00 0.00 H new ATOM 963 N SER A 68 18.265 3.232 9.072 1.00 0.00 N ATOM 964 CA SER A 68 19.044 2.002 8.983 1.00 0.00 C ATOM 965 C SER A 68 18.588 0.993 10.032 1.00 0.00 C ATOM 966 O SER A 68 18.765 1.205 11.231 1.00 0.00 O ATOM 967 CB SER A 68 20.533 2.303 9.161 1.00 0.00 C ATOM 968 OG SER A 68 20.817 3.661 8.876 1.00 0.00 O ATOM 0 H SER A 68 18.578 3.878 9.797 1.00 0.00 H new ATOM 0 HA SER A 68 18.884 1.570 7.995 1.00 0.00 H new ATOM 0 HB2 SER A 68 20.834 2.072 10.183 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.118 1.660 8.503 1.00 0.00 H new ATOM 0 HG SER A 68 21.775 3.828 8.999 1.00 0.00 H new ATOM 974 N TRP A 69 17.999 -0.105 9.571 1.00 0.00 N ATOM 975 CA TRP A 69 17.517 -1.148 10.469 1.00 0.00 C ATOM 976 C TRP A 69 18.439 -2.362 10.438 1.00 0.00 C ATOM 977 O TRP A 69 19.078 -2.644 9.423 1.00 0.00 O ATOM 978 CB TRP A 69 16.095 -1.562 10.086 1.00 0.00 C ATOM 979 CG TRP A 69 15.127 -0.418 10.071 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.214 0.720 9.321 1.00 0.00 C ATOM 981 CD2 TRP A 69 13.928 -0.300 10.844 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.141 1.538 9.580 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.337 0.935 10.511 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.295 -1.118 11.784 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.145 1.368 11.086 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.112 -0.686 12.354 1.00 0.00 C ATOM 987 CH2 TRP A 69 11.547 0.548 12.002 1.00 0.00 C ATOM 0 H TRP A 69 17.844 -0.296 8.581 1.00 0.00 H new ATOM 0 HA TRP A 69 17.511 -0.746 11.482 1.00 0.00 H new ATOM 0 HB2 TRP A 69 16.113 -2.027 9.100 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.743 -2.318 10.788 1.00 0.00 H new ATOM 0 HD1 TRP A 69 16.010 0.944 8.626 1.00 0.00 H new ATOM 0 HE1 TRP A 69 13.971 2.447 9.149 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.722 -2.071 12.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 11.708 2.319 10.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.615 -1.309 13.082 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.621 0.857 12.464 1.00 0.00 H new ATOM 998 N THR A 70 18.504 -3.080 11.555 1.00 0.00 N ATOM 999 CA THR A 70 19.348 -4.263 11.655 1.00 0.00 C ATOM 1000 C THR A 70 18.579 -5.440 12.244 1.00 0.00 C ATOM 1001 O THR A 70 17.701 -5.260 13.090 1.00 0.00 O ATOM 1002 CB THR A 70 20.593 -3.993 12.521 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.495 -5.103 12.443 1.00 0.00 O ATOM 1004 CG2 THR A 70 20.202 -3.753 13.972 1.00 0.00 C ATOM 0 H THR A 70 17.981 -2.862 12.403 1.00 0.00 H new ATOM 0 HA THR A 70 19.665 -4.511 10.642 1.00 0.00 H new ATOM 0 HB THR A 70 21.085 -3.098 12.141 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.394 -5.546 11.575 1.00 0.00 H new ATOM 0 HG21 THR A 70 21.098 -3.565 14.564 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.539 -2.890 14.032 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.689 -4.632 14.361 1.00 0.00 H new ATOM 1012 N LEU A 71 18.913 -6.644 11.795 1.00 0.00 N ATOM 1013 CA LEU A 71 18.253 -7.852 12.279 1.00 0.00 C ATOM 1014 C LEU A 71 19.124 -8.576 13.300 1.00 0.00 C ATOM 1015 O LEU A 71 20.351 -8.552 13.211 1.00 0.00 O ATOM 1016 CB LEU A 71 17.934 -8.786 11.110 1.00 0.00 C ATOM 1017 CG LEU A 71 16.500 -8.737 10.583 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.525 -9.222 11.645 1.00 0.00 C ATOM 1019 CD2 LEU A 71 16.144 -7.327 10.135 1.00 0.00 C ATOM 0 H LEU A 71 19.637 -6.811 11.096 1.00 0.00 H new ATOM 0 HA LEU A 71 17.323 -7.558 12.765 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.610 -8.550 10.288 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.152 -9.809 11.418 1.00 0.00 H new ATOM 0 HG LEU A 71 16.427 -9.400 9.721 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.509 -9.180 11.252 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.766 -10.249 11.919 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.600 -8.585 12.526 1.00 0.00 H new ATOM 0 HD21 LEU A 71 15.120 -7.311 9.763 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.234 -6.643 10.979 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.823 -7.015 9.342 1.00 0.00 H new ATOM 1031 N GLU A 72 18.480 -9.221 14.268 1.00 0.00 N ATOM 1032 CA GLU A 72 19.197 -9.953 15.306 1.00 0.00 C ATOM 1033 C GLU A 72 18.344 -11.092 15.856 1.00 0.00 C ATOM 1034 O GLU A 72 17.118 -11.095 15.741 1.00 0.00 O ATOM 1035 CB GLU A 72 19.601 -9.009 16.440 1.00 0.00 C ATOM 1036 CG GLU A 72 20.923 -8.299 16.200 1.00 0.00 C ATOM 1037 CD GLU A 72 21.473 -7.650 17.455 1.00 0.00 C ATOM 1038 OE1 GLU A 72 22.097 -8.363 18.268 1.00 0.00 O ATOM 1039 OE2 GLU A 72 21.279 -6.427 17.623 1.00 0.00 O ATOM 0 H GLU A 72 17.464 -9.252 14.355 1.00 0.00 H new ATOM 0 HA GLU A 72 20.096 -10.379 14.860 1.00 0.00 H new ATOM 0 HB2 GLU A 72 18.818 -8.264 16.577 1.00 0.00 H new ATOM 0 HB3 GLU A 72 19.667 -9.577 17.368 1.00 0.00 H new ATOM 0 HG2 GLU A 72 21.651 -9.014 15.817 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.788 -7.538 15.431 1.00 0.00 H new