USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -102:sc= 0.0589 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.158 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.664 K(o=-0.66,f=-2.6!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0195 X(o=-0.02,f=-0.31) USER MOD Single : A 37 SER OG : rot -160:sc= 0.379 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.808 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= -7.55! C(o=-7.6!,f=-10!) USER MOD Single : A 57 THR OG1 : rot 100:sc= -0.5 USER MOD Single : A 58 HIS :FLIP no HE2:sc= -4.46 F(o=-5.3!,f=-4.5) USER MOD Single : A 62 SER OG : rot -139:sc= -0.707 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.257 K(o=-0.26,f=-1.9!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 34:sc= 0.619 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -49.832 -6.880 22.847 1.00 0.00 N ATOM 2 CA GLY A 1 -48.576 -6.267 22.457 1.00 0.00 C ATOM 3 C GLY A 1 -47.721 -7.186 21.607 1.00 0.00 C ATOM 4 O GLY A 1 -47.931 -8.398 21.588 1.00 0.00 O ATOM 0 H1 GLY A 1 -50.599 -6.511 22.249 1.00 0.00 H new ATOM 0 H2 GLY A 1 -49.767 -7.911 22.729 1.00 0.00 H new ATOM 0 H3 GLY A 1 -50.032 -6.658 23.843 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -48.779 -5.350 21.904 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -48.021 -5.983 23.351 1.00 0.00 H new ATOM 8 N SER A 2 -46.755 -6.607 20.901 1.00 0.00 N ATOM 9 CA SER A 2 -45.869 -7.382 20.040 1.00 0.00 C ATOM 10 C SER A 2 -44.525 -6.680 19.872 1.00 0.00 C ATOM 11 O SER A 2 -44.325 -5.570 20.366 1.00 0.00 O ATOM 12 CB SER A 2 -46.516 -7.602 18.672 1.00 0.00 C ATOM 13 OG SER A 2 -47.800 -8.187 18.803 1.00 0.00 O ATOM 0 H SER A 2 -46.566 -5.605 20.908 1.00 0.00 H new ATOM 0 HA SER A 2 -45.698 -8.349 20.513 1.00 0.00 H new ATOM 0 HB2 SER A 2 -46.599 -6.650 18.148 1.00 0.00 H new ATOM 0 HB3 SER A 2 -45.880 -8.246 18.065 1.00 0.00 H new ATOM 0 HG SER A 2 -48.193 -8.316 17.915 1.00 0.00 H new ATOM 19 N SER A 3 -43.605 -7.336 19.172 1.00 0.00 N ATOM 20 CA SER A 3 -42.278 -6.778 18.941 1.00 0.00 C ATOM 21 C SER A 3 -41.789 -7.102 17.532 1.00 0.00 C ATOM 22 O SER A 3 -42.428 -7.857 16.800 1.00 0.00 O ATOM 23 CB SER A 3 -41.287 -7.319 19.974 1.00 0.00 C ATOM 24 OG SER A 3 -41.089 -8.712 19.809 1.00 0.00 O ATOM 0 H SER A 3 -43.754 -8.255 18.755 1.00 0.00 H new ATOM 0 HA SER A 3 -42.344 -5.695 19.043 1.00 0.00 H new ATOM 0 HB2 SER A 3 -40.334 -6.799 19.876 1.00 0.00 H new ATOM 0 HB3 SER A 3 -41.658 -7.118 20.979 1.00 0.00 H new ATOM 0 HG SER A 3 -40.451 -9.033 20.480 1.00 0.00 H new ATOM 30 N GLY A 4 -40.651 -6.525 17.160 1.00 0.00 N ATOM 31 CA GLY A 4 -40.095 -6.764 15.841 1.00 0.00 C ATOM 32 C GLY A 4 -38.605 -7.041 15.881 1.00 0.00 C ATOM 33 O GLY A 4 -38.075 -7.475 16.904 1.00 0.00 O ATOM 0 H GLY A 4 -40.104 -5.896 17.748 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -40.607 -7.610 15.382 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -40.283 -5.897 15.208 1.00 0.00 H new ATOM 37 N SER A 5 -37.928 -6.792 14.765 1.00 0.00 N ATOM 38 CA SER A 5 -36.491 -7.023 14.675 1.00 0.00 C ATOM 39 C SER A 5 -35.779 -5.799 14.108 1.00 0.00 C ATOM 40 O SER A 5 -36.364 -5.018 13.358 1.00 0.00 O ATOM 41 CB SER A 5 -36.203 -8.245 13.800 1.00 0.00 C ATOM 42 OG SER A 5 -36.741 -8.079 12.499 1.00 0.00 O ATOM 0 H SER A 5 -38.351 -6.430 13.910 1.00 0.00 H new ATOM 0 HA SER A 5 -36.114 -7.208 15.681 1.00 0.00 H new ATOM 0 HB2 SER A 5 -35.127 -8.404 13.734 1.00 0.00 H new ATOM 0 HB3 SER A 5 -36.629 -9.136 14.262 1.00 0.00 H new ATOM 0 HG SER A 5 -36.542 -8.872 11.959 1.00 0.00 H new ATOM 48 N SER A 6 -34.511 -5.638 14.474 1.00 0.00 N ATOM 49 CA SER A 6 -33.718 -4.507 14.006 1.00 0.00 C ATOM 50 C SER A 6 -33.091 -4.807 12.648 1.00 0.00 C ATOM 51 O SER A 6 -33.100 -5.948 12.186 1.00 0.00 O ATOM 52 CB SER A 6 -32.625 -4.168 15.021 1.00 0.00 C ATOM 53 OG SER A 6 -33.087 -3.224 15.972 1.00 0.00 O ATOM 0 H SER A 6 -34.011 -6.276 15.093 1.00 0.00 H new ATOM 0 HA SER A 6 -34.383 -3.650 13.898 1.00 0.00 H new ATOM 0 HB2 SER A 6 -32.304 -5.076 15.532 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.753 -3.769 14.502 1.00 0.00 H new ATOM 0 HG SER A 6 -32.371 -3.025 16.610 1.00 0.00 H new ATOM 59 N GLY A 7 -32.546 -3.774 12.013 1.00 0.00 N ATOM 60 CA GLY A 7 -31.922 -3.947 10.714 1.00 0.00 C ATOM 61 C GLY A 7 -30.408 -3.942 10.793 1.00 0.00 C ATOM 62 O GLY A 7 -29.830 -4.423 11.767 1.00 0.00 O ATOM 0 H GLY A 7 -32.525 -2.821 12.375 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -32.257 -4.887 10.276 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -32.251 -3.150 10.047 1.00 0.00 H new ATOM 66 N GLU A 8 -29.765 -3.398 9.764 1.00 0.00 N ATOM 67 CA GLU A 8 -28.309 -3.335 9.721 1.00 0.00 C ATOM 68 C GLU A 8 -27.840 -2.132 8.909 1.00 0.00 C ATOM 69 O GLU A 8 -28.477 -1.744 7.928 1.00 0.00 O ATOM 70 CB GLU A 8 -27.739 -4.622 9.121 1.00 0.00 C ATOM 71 CG GLU A 8 -26.272 -4.848 9.449 1.00 0.00 C ATOM 72 CD GLU A 8 -25.722 -6.113 8.818 1.00 0.00 C ATOM 73 OE1 GLU A 8 -25.691 -6.188 7.572 1.00 0.00 O ATOM 74 OE2 GLU A 8 -25.322 -7.026 9.570 1.00 0.00 O ATOM 0 H GLU A 8 -30.229 -2.995 8.950 1.00 0.00 H new ATOM 0 HA GLU A 8 -27.945 -3.226 10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -28.319 -5.470 9.484 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -27.860 -4.593 8.038 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -25.691 -3.992 9.105 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -26.150 -4.903 10.531 1.00 0.00 H new ATOM 81 N LEU A 9 -26.724 -1.544 9.325 1.00 0.00 N ATOM 82 CA LEU A 9 -26.169 -0.383 8.637 1.00 0.00 C ATOM 83 C LEU A 9 -25.797 -0.729 7.199 1.00 0.00 C ATOM 84 O LEU A 9 -25.836 -1.892 6.800 1.00 0.00 O ATOM 85 CB LEU A 9 -24.938 0.136 9.383 1.00 0.00 C ATOM 86 CG LEU A 9 -23.762 -0.835 9.495 1.00 0.00 C ATOM 87 CD1 LEU A 9 -22.913 -0.792 8.234 1.00 0.00 C ATOM 88 CD2 LEU A 9 -22.918 -0.511 10.719 1.00 0.00 C ATOM 0 H LEU A 9 -26.186 -1.852 10.135 1.00 0.00 H new ATOM 0 HA LEU A 9 -26.931 0.396 8.619 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -24.590 1.040 8.884 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -25.242 0.424 10.389 1.00 0.00 H new ATOM 0 HG LEU A 9 -24.158 -1.844 9.608 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -22.081 -1.489 8.332 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -23.523 -1.073 7.375 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -22.526 0.217 8.090 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -22.086 -1.212 10.783 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -22.531 0.505 10.636 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -23.531 -0.593 11.616 1.00 0.00 H new ATOM 100 N GLU A 10 -25.434 0.290 6.425 1.00 0.00 N ATOM 101 CA GLU A 10 -25.054 0.093 5.031 1.00 0.00 C ATOM 102 C GLU A 10 -23.581 0.428 4.817 1.00 0.00 C ATOM 103 O GLU A 10 -23.100 1.496 5.197 1.00 0.00 O ATOM 104 CB GLU A 10 -25.924 0.956 4.115 1.00 0.00 C ATOM 105 CG GLU A 10 -27.287 0.351 3.823 1.00 0.00 C ATOM 106 CD GLU A 10 -28.022 -0.065 5.083 1.00 0.00 C ATOM 107 OE1 GLU A 10 -27.980 0.696 6.072 1.00 0.00 O ATOM 108 OE2 GLU A 10 -28.639 -1.151 5.079 1.00 0.00 O ATOM 0 H GLU A 10 -25.395 1.259 6.740 1.00 0.00 H new ATOM 0 HA GLU A 10 -25.210 -0.957 4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -26.061 1.935 4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -25.398 1.117 3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -27.892 1.074 3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -27.164 -0.517 3.175 1.00 0.00 H new ATOM 115 N PRO A 11 -22.847 -0.504 4.192 1.00 0.00 N ATOM 116 CA PRO A 11 -21.419 -0.331 3.912 1.00 0.00 C ATOM 117 C PRO A 11 -21.161 0.726 2.844 1.00 0.00 C ATOM 118 O PRO A 11 -22.076 1.142 2.135 1.00 0.00 O ATOM 119 CB PRO A 11 -20.985 -1.712 3.413 1.00 0.00 C ATOM 120 CG PRO A 11 -22.228 -2.324 2.865 1.00 0.00 C ATOM 121 CD PRO A 11 -23.355 -1.800 3.711 1.00 0.00 C ATOM 0 HA PRO A 11 -20.871 0.012 4.789 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -20.213 -1.632 2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -20.571 -2.313 4.222 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -22.367 -2.054 1.818 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -22.180 -3.412 2.910 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -24.271 -1.683 3.132 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -23.584 -2.473 4.537 1.00 0.00 H new ATOM 129 N GLY A 12 -19.908 1.158 2.735 1.00 0.00 N ATOM 130 CA GLY A 12 -19.553 2.163 1.750 1.00 0.00 C ATOM 131 C GLY A 12 -20.613 3.238 1.611 1.00 0.00 C ATOM 132 O GLY A 12 -21.242 3.367 0.562 1.00 0.00 O ATOM 0 H GLY A 12 -19.133 0.830 3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -18.606 2.625 2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -19.399 1.682 0.784 1.00 0.00 H new ATOM 136 N ALA A 13 -20.812 4.011 2.674 1.00 0.00 N ATOM 137 CA ALA A 13 -21.803 5.081 2.666 1.00 0.00 C ATOM 138 C ALA A 13 -21.136 6.447 2.785 1.00 0.00 C ATOM 139 O ALA A 13 -21.673 7.357 3.417 1.00 0.00 O ATOM 140 CB ALA A 13 -22.805 4.880 3.792 1.00 0.00 C ATOM 0 H ALA A 13 -20.300 3.916 3.551 1.00 0.00 H new ATOM 0 HA ALA A 13 -22.332 5.046 1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -23.539 5.686 3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -23.312 3.924 3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -22.283 4.886 4.749 1.00 0.00 H new ATOM 146 N PHE A 14 -19.964 6.584 2.175 1.00 0.00 N ATOM 147 CA PHE A 14 -19.223 7.839 2.215 1.00 0.00 C ATOM 148 C PHE A 14 -19.224 8.515 0.847 1.00 0.00 C ATOM 149 O PHE A 14 -19.459 7.871 -0.176 1.00 0.00 O ATOM 150 CB PHE A 14 -17.784 7.593 2.673 1.00 0.00 C ATOM 151 CG PHE A 14 -17.660 7.345 4.149 1.00 0.00 C ATOM 152 CD1 PHE A 14 -18.114 6.161 4.707 1.00 0.00 C ATOM 153 CD2 PHE A 14 -17.089 8.297 4.979 1.00 0.00 C ATOM 154 CE1 PHE A 14 -18.001 5.929 6.065 1.00 0.00 C ATOM 155 CE2 PHE A 14 -16.972 8.071 6.338 1.00 0.00 C ATOM 156 CZ PHE A 14 -17.430 6.886 6.882 1.00 0.00 C ATOM 0 H PHE A 14 -19.507 5.841 1.647 1.00 0.00 H new ATOM 0 HA PHE A 14 -19.716 8.500 2.928 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -17.381 6.736 2.133 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -17.173 8.455 2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -18.562 5.410 4.073 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -16.731 9.226 4.559 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -18.358 5.001 6.487 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -16.523 8.820 6.974 1.00 0.00 H new ATOM 0 HZ PHE A 14 -17.342 6.708 7.944 1.00 0.00 H new ATOM 166 N SER A 15 -18.961 9.818 0.836 1.00 0.00 N ATOM 167 CA SER A 15 -18.936 10.583 -0.405 1.00 0.00 C ATOM 168 C SER A 15 -17.506 10.758 -0.906 1.00 0.00 C ATOM 169 O SER A 15 -16.552 10.675 -0.133 1.00 0.00 O ATOM 170 CB SER A 15 -19.588 11.952 -0.198 1.00 0.00 C ATOM 171 OG SER A 15 -20.974 11.822 0.065 1.00 0.00 O ATOM 0 H SER A 15 -18.762 10.366 1.673 1.00 0.00 H new ATOM 0 HA SER A 15 -19.500 10.030 -1.156 1.00 0.00 H new ATOM 0 HB2 SER A 15 -19.104 12.467 0.632 1.00 0.00 H new ATOM 0 HB3 SER A 15 -19.439 12.567 -1.085 1.00 0.00 H new ATOM 0 HG SER A 15 -21.367 12.710 0.195 1.00 0.00 H new ATOM 177 N GLU A 16 -17.366 11.001 -2.206 1.00 0.00 N ATOM 178 CA GLU A 16 -16.053 11.187 -2.810 1.00 0.00 C ATOM 179 C GLU A 16 -15.336 12.386 -2.197 1.00 0.00 C ATOM 180 O GLU A 16 -15.935 13.172 -1.460 1.00 0.00 O ATOM 181 CB GLU A 16 -16.185 11.377 -4.323 1.00 0.00 C ATOM 182 CG GLU A 16 -16.724 12.742 -4.720 1.00 0.00 C ATOM 183 CD GLU A 16 -16.543 13.033 -6.197 1.00 0.00 C ATOM 184 OE1 GLU A 16 -16.956 12.193 -7.023 1.00 0.00 O ATOM 185 OE2 GLU A 16 -15.989 14.103 -6.526 1.00 0.00 O ATOM 0 H GLU A 16 -18.146 11.073 -2.860 1.00 0.00 H new ATOM 0 HA GLU A 16 -15.462 10.293 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -15.209 11.233 -4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -16.844 10.605 -4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.783 12.797 -4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.218 13.512 -4.137 1.00 0.00 H new ATOM 192 N LEU A 17 -14.051 12.521 -2.504 1.00 0.00 N ATOM 193 CA LEU A 17 -13.251 13.624 -1.983 1.00 0.00 C ATOM 194 C LEU A 17 -12.531 14.355 -3.112 1.00 0.00 C ATOM 195 O LEU A 17 -12.138 13.747 -4.108 1.00 0.00 O ATOM 196 CB LEU A 17 -12.233 13.106 -0.965 1.00 0.00 C ATOM 197 CG LEU A 17 -12.803 12.293 0.198 1.00 0.00 C ATOM 198 CD1 LEU A 17 -11.754 11.337 0.745 1.00 0.00 C ATOM 199 CD2 LEU A 17 -13.309 13.216 1.296 1.00 0.00 C ATOM 0 H LEU A 17 -13.540 11.880 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.923 14.326 -1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.504 12.489 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.692 13.959 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.644 11.706 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.177 10.767 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.438 10.653 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.893 11.905 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.711 12.620 2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.486 13.830 1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -14.093 13.860 0.897 1.00 0.00 H new ATOM 211 N TYR A 18 -12.359 15.662 -2.948 1.00 0.00 N ATOM 212 CA TYR A 18 -11.686 16.476 -3.953 1.00 0.00 C ATOM 213 C TYR A 18 -10.170 16.358 -3.824 1.00 0.00 C ATOM 214 O TYR A 18 -9.484 15.982 -4.773 1.00 0.00 O ATOM 215 CB TYR A 18 -12.108 17.940 -3.820 1.00 0.00 C ATOM 216 CG TYR A 18 -11.272 18.889 -4.648 1.00 0.00 C ATOM 217 CD1 TYR A 18 -10.048 19.355 -4.184 1.00 0.00 C ATOM 218 CD2 TYR A 18 -11.705 19.320 -5.896 1.00 0.00 C ATOM 219 CE1 TYR A 18 -9.281 20.222 -4.937 1.00 0.00 C ATOM 220 CE2 TYR A 18 -10.945 20.187 -6.657 1.00 0.00 C ATOM 221 CZ TYR A 18 -9.733 20.635 -6.173 1.00 0.00 C ATOM 222 OH TYR A 18 -8.972 21.499 -6.927 1.00 0.00 O ATOM 0 H TYR A 18 -12.676 16.180 -2.129 1.00 0.00 H new ATOM 0 HA TYR A 18 -11.978 16.109 -4.937 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -13.153 18.037 -4.116 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.045 18.234 -2.772 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -9.690 19.033 -3.217 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -12.653 18.971 -6.278 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -8.332 20.575 -4.560 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.297 20.512 -7.625 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.433 21.690 -7.771 1.00 0.00 H new ATOM 232 N GLN A 19 -9.657 16.683 -2.642 1.00 0.00 N ATOM 233 CA GLN A 19 -8.223 16.614 -2.388 1.00 0.00 C ATOM 234 C GLN A 19 -7.645 15.292 -2.882 1.00 0.00 C ATOM 235 O GLN A 19 -8.372 14.316 -3.066 1.00 0.00 O ATOM 236 CB GLN A 19 -7.940 16.781 -0.894 1.00 0.00 C ATOM 237 CG GLN A 19 -8.093 18.210 -0.401 1.00 0.00 C ATOM 238 CD GLN A 19 -6.996 19.124 -0.911 1.00 0.00 C ATOM 239 OE1 GLN A 19 -6.915 19.409 -2.106 1.00 0.00 O ATOM 240 NE2 GLN A 19 -6.144 19.589 -0.004 1.00 0.00 N ATOM 0 H GLN A 19 -10.212 16.996 -1.846 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.743 17.426 -2.935 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.616 16.137 -0.331 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.926 16.440 -0.685 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.061 18.598 -0.718 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.089 18.217 0.689 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.249 19.327 0.976 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.385 20.208 -0.288 1.00 0.00 H new ATOM 249 N ARG A 20 -6.334 15.268 -3.097 1.00 0.00 N ATOM 250 CA ARG A 20 -5.659 14.067 -3.572 1.00 0.00 C ATOM 251 C ARG A 20 -5.400 13.098 -2.422 1.00 0.00 C ATOM 252 O ARG A 20 -5.220 13.512 -1.277 1.00 0.00 O ATOM 253 CB ARG A 20 -4.338 14.433 -4.251 1.00 0.00 C ATOM 254 CG ARG A 20 -4.462 14.642 -5.752 1.00 0.00 C ATOM 255 CD ARG A 20 -3.464 15.672 -6.255 1.00 0.00 C ATOM 256 NE ARG A 20 -2.155 15.081 -6.522 1.00 0.00 N ATOM 257 CZ ARG A 20 -1.268 15.608 -7.359 1.00 0.00 C ATOM 258 NH1 ARG A 20 -1.547 16.732 -8.005 1.00 0.00 N ATOM 259 NH2 ARG A 20 -0.098 15.012 -7.549 1.00 0.00 N ATOM 0 H ARG A 20 -5.718 16.067 -2.950 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.309 13.578 -4.297 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.946 15.343 -3.797 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.611 13.643 -4.061 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.300 13.695 -6.267 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.474 14.967 -5.993 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.846 16.133 -7.166 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.359 16.466 -5.516 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.909 14.217 -6.040 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.445 17.194 -7.860 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.864 17.134 -8.647 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.121 14.148 -7.052 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.582 15.417 -8.192 1.00 0.00 H new ATOM 273 N TYR A 21 -5.384 11.807 -2.735 1.00 0.00 N ATOM 274 CA TYR A 21 -5.151 10.779 -1.728 1.00 0.00 C ATOM 275 C TYR A 21 -3.657 10.558 -1.511 1.00 0.00 C ATOM 276 O TYR A 21 -2.961 10.041 -2.385 1.00 0.00 O ATOM 277 CB TYR A 21 -5.816 9.466 -2.145 1.00 0.00 C ATOM 278 CG TYR A 21 -5.716 8.378 -1.101 1.00 0.00 C ATOM 279 CD1 TYR A 21 -4.488 7.826 -0.759 1.00 0.00 C ATOM 280 CD2 TYR A 21 -6.850 7.901 -0.455 1.00 0.00 C ATOM 281 CE1 TYR A 21 -4.392 6.831 0.195 1.00 0.00 C ATOM 282 CE2 TYR A 21 -6.764 6.907 0.501 1.00 0.00 C ATOM 283 CZ TYR A 21 -5.532 6.375 0.822 1.00 0.00 C ATOM 284 OH TYR A 21 -5.441 5.385 1.773 1.00 0.00 O ATOM 0 H TYR A 21 -5.530 11.448 -3.678 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.590 11.119 -0.790 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.868 9.654 -2.362 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.358 9.114 -3.069 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.592 8.181 -1.247 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.816 8.315 -0.705 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.429 6.413 0.448 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.656 6.549 0.994 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.335 5.180 2.118 1.00 0.00 H new ATOM 294 N ARG A 22 -3.171 10.953 -0.339 1.00 0.00 N ATOM 295 CA ARG A 22 -1.761 10.800 -0.005 1.00 0.00 C ATOM 296 C ARG A 22 -1.593 10.197 1.387 1.00 0.00 C ATOM 297 O ARG A 22 -1.400 10.917 2.367 1.00 0.00 O ATOM 298 CB ARG A 22 -1.048 12.151 -0.077 1.00 0.00 C ATOM 299 CG ARG A 22 -1.255 12.880 -1.394 1.00 0.00 C ATOM 300 CD ARG A 22 -0.877 14.349 -1.284 1.00 0.00 C ATOM 301 NE ARG A 22 0.570 14.540 -1.227 1.00 0.00 N ATOM 302 CZ ARG A 22 1.151 15.730 -1.125 1.00 0.00 C ATOM 303 NH1 ARG A 22 0.412 16.830 -1.069 1.00 0.00 N ATOM 304 NH2 ARG A 22 2.473 15.822 -1.078 1.00 0.00 N ATOM 0 H ARG A 22 -3.734 11.382 0.396 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.314 10.122 -0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.402 12.783 0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.020 11.997 0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.655 12.406 -2.171 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.298 12.794 -1.699 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.281 14.892 -2.139 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.334 14.775 -0.391 1.00 0.00 H new ATOM 0 HE ARG A 22 1.167 13.714 -1.268 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.605 16.763 -1.104 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.861 17.743 -0.991 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.045 14.978 -1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.918 16.736 -1.000 1.00 0.00 H new ATOM 318 N HIS A 23 -1.670 8.873 1.466 1.00 0.00 N ATOM 319 CA HIS A 23 -1.527 8.173 2.738 1.00 0.00 C ATOM 320 C HIS A 23 -0.933 6.783 2.530 1.00 0.00 C ATOM 321 O HIS A 23 -1.545 5.924 1.894 1.00 0.00 O ATOM 322 CB HIS A 23 -2.881 8.062 3.438 1.00 0.00 C ATOM 323 CG HIS A 23 -2.806 7.421 4.789 1.00 0.00 C ATOM 324 ND1 HIS A 23 -2.403 8.096 5.922 1.00 0.00 N ATOM 325 CD2 HIS A 23 -3.088 6.158 5.187 1.00 0.00 C ATOM 326 CE1 HIS A 23 -2.438 7.276 6.957 1.00 0.00 C ATOM 327 NE2 HIS A 23 -2.851 6.094 6.538 1.00 0.00 N ATOM 0 H HIS A 23 -1.831 8.263 0.665 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.848 8.749 3.367 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.310 9.059 3.541 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.560 7.486 2.809 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.435 5.351 4.559 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -2.174 7.529 7.973 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.974 5.267 7.123 1.00 0.00 H new ATOM 336 N CYS A 24 0.263 6.569 3.069 1.00 0.00 N ATOM 337 CA CYS A 24 0.941 5.285 2.942 1.00 0.00 C ATOM 338 C CYS A 24 0.102 4.164 3.550 1.00 0.00 C ATOM 339 O CYS A 24 -0.251 4.209 4.729 1.00 0.00 O ATOM 340 CB CYS A 24 2.310 5.338 3.621 1.00 0.00 C ATOM 341 SG CYS A 24 3.042 3.702 3.947 1.00 0.00 S ATOM 0 H CYS A 24 0.783 7.269 3.598 1.00 0.00 H new ATOM 0 HA CYS A 24 1.077 5.078 1.881 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.993 5.911 2.994 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.215 5.876 4.564 1.00 0.00 H new ATOM 346 N ASP A 25 -0.213 3.161 2.738 1.00 0.00 N ATOM 347 CA ASP A 25 -1.009 2.028 3.196 1.00 0.00 C ATOM 348 C ASP A 25 -0.360 0.709 2.791 1.00 0.00 C ATOM 349 O ASP A 25 -1.035 -0.310 2.652 1.00 0.00 O ATOM 350 CB ASP A 25 -2.426 2.110 2.625 1.00 0.00 C ATOM 351 CG ASP A 25 -3.396 1.200 3.353 1.00 0.00 C ATOM 352 OD1 ASP A 25 -3.654 1.444 4.551 1.00 0.00 O ATOM 353 OD2 ASP A 25 -3.898 0.244 2.725 1.00 0.00 O ATOM 0 H ASP A 25 0.071 3.109 1.760 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.061 2.067 4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.781 3.139 2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.405 1.843 1.568 1.00 0.00 H new ATOM 358 N ALA A 26 0.956 0.736 2.602 1.00 0.00 N ATOM 359 CA ALA A 26 1.697 -0.457 2.214 1.00 0.00 C ATOM 360 C ALA A 26 1.852 -1.414 3.392 1.00 0.00 C ATOM 361 O ALA A 26 1.568 -1.074 4.540 1.00 0.00 O ATOM 362 CB ALA A 26 3.061 -0.075 1.659 1.00 0.00 C ATOM 0 H ALA A 26 1.530 1.572 2.712 1.00 0.00 H new ATOM 0 HA ALA A 26 1.131 -0.969 1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.603 -0.976 1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.932 0.563 0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.626 0.462 2.421 1.00 0.00 H new ATOM 368 N PRO A 27 2.313 -2.640 3.102 1.00 0.00 N ATOM 369 CA PRO A 27 2.517 -3.671 4.124 1.00 0.00 C ATOM 370 C PRO A 27 3.682 -3.345 5.053 1.00 0.00 C ATOM 371 O PRO A 27 3.543 -3.386 6.276 1.00 0.00 O ATOM 372 CB PRO A 27 2.821 -4.927 3.305 1.00 0.00 C ATOM 373 CG PRO A 27 3.375 -4.417 2.020 1.00 0.00 C ATOM 374 CD PRO A 27 2.672 -3.114 1.755 1.00 0.00 C ATOM 0 HA PRO A 27 1.652 -3.772 4.779 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.537 -5.570 3.817 1.00 0.00 H new ATOM 0 HB3 PRO A 27 1.921 -5.520 3.141 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.453 -4.272 2.090 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.201 -5.126 1.211 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.320 -2.405 1.239 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.790 -3.253 1.130 1.00 0.00 H new ATOM 382 N ILE A 28 4.828 -3.020 4.464 1.00 0.00 N ATOM 383 CA ILE A 28 6.016 -2.686 5.240 1.00 0.00 C ATOM 384 C ILE A 28 6.647 -1.388 4.747 1.00 0.00 C ATOM 385 O ILE A 28 6.821 -1.187 3.544 1.00 0.00 O ATOM 386 CB ILE A 28 7.066 -3.811 5.175 1.00 0.00 C ATOM 387 CG1 ILE A 28 6.478 -5.118 5.710 1.00 0.00 C ATOM 388 CG2 ILE A 28 8.308 -3.422 5.962 1.00 0.00 C ATOM 389 CD1 ILE A 28 6.132 -5.068 7.182 1.00 0.00 C ATOM 0 H ILE A 28 4.959 -2.981 3.453 1.00 0.00 H new ATOM 0 HA ILE A 28 5.693 -2.561 6.274 1.00 0.00 H new ATOM 0 HB ILE A 28 7.352 -3.962 4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.580 -5.362 5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.192 -5.924 5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.041 -4.227 5.907 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.736 -2.512 5.540 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.039 -3.247 7.004 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.720 -6.029 7.492 1.00 0.00 H new ATOM 0 HD12 ILE A 28 7.031 -4.855 7.760 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.395 -4.284 7.356 1.00 0.00 H new ATOM 401 N CYS A 29 6.990 -0.510 5.683 1.00 0.00 N ATOM 402 CA CYS A 29 7.603 0.768 5.345 1.00 0.00 C ATOM 403 C CYS A 29 9.026 0.851 5.892 1.00 0.00 C ATOM 404 O CYS A 29 9.279 0.510 7.048 1.00 0.00 O ATOM 405 CB CYS A 29 6.765 1.922 5.899 1.00 0.00 C ATOM 406 SG CYS A 29 6.861 3.451 4.913 1.00 0.00 S ATOM 0 H CYS A 29 6.854 -0.661 6.683 1.00 0.00 H new ATOM 0 HA CYS A 29 7.644 0.846 4.259 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.724 1.605 5.958 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.091 2.138 6.917 1.00 0.00 H new ATOM 411 N LEU A 30 9.950 1.305 5.053 1.00 0.00 N ATOM 412 CA LEU A 30 11.348 1.432 5.452 1.00 0.00 C ATOM 413 C LEU A 30 11.712 2.893 5.700 1.00 0.00 C ATOM 414 O LEU A 30 12.591 3.195 6.508 1.00 0.00 O ATOM 415 CB LEU A 30 12.261 0.843 4.376 1.00 0.00 C ATOM 416 CG LEU A 30 11.824 -0.499 3.786 1.00 0.00 C ATOM 417 CD1 LEU A 30 12.279 -0.620 2.340 1.00 0.00 C ATOM 418 CD2 LEU A 30 12.371 -1.650 4.617 1.00 0.00 C ATOM 0 H LEU A 30 9.757 1.591 4.093 1.00 0.00 H new ATOM 0 HA LEU A 30 11.487 0.879 6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.344 1.565 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.258 0.724 4.799 1.00 0.00 H new ATOM 0 HG LEU A 30 10.735 -0.546 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.959 -1.581 1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.839 0.185 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.366 -0.551 2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.050 -2.597 4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.460 -1.606 4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.995 -1.573 5.637 1.00 0.00 H new ATOM 430 N TYR A 31 11.031 3.794 5.001 1.00 0.00 N ATOM 431 CA TYR A 31 11.283 5.223 5.145 1.00 0.00 C ATOM 432 C TYR A 31 11.043 5.676 6.582 1.00 0.00 C ATOM 433 O TYR A 31 9.914 5.656 7.070 1.00 0.00 O ATOM 434 CB TYR A 31 10.389 6.018 4.192 1.00 0.00 C ATOM 435 CG TYR A 31 10.983 7.342 3.768 1.00 0.00 C ATOM 436 CD1 TYR A 31 12.124 7.393 2.977 1.00 0.00 C ATOM 437 CD2 TYR A 31 10.402 8.543 4.158 1.00 0.00 C ATOM 438 CE1 TYR A 31 12.670 8.601 2.588 1.00 0.00 C ATOM 439 CE2 TYR A 31 10.941 9.755 3.772 1.00 0.00 C ATOM 440 CZ TYR A 31 12.075 9.779 2.988 1.00 0.00 C ATOM 441 OH TYR A 31 12.615 10.984 2.602 1.00 0.00 O ATOM 0 H TYR A 31 10.300 3.560 4.329 1.00 0.00 H new ATOM 0 HA TYR A 31 12.327 5.409 4.894 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.193 5.416 3.304 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.428 6.198 4.674 1.00 0.00 H new ATOM 0 HD1 TYR A 31 12.592 6.473 2.661 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.514 8.528 4.773 1.00 0.00 H new ATOM 0 HE1 TYR A 31 13.558 8.623 1.974 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.476 10.679 4.083 1.00 0.00 H new ATOM 0 HH TYR A 31 12.075 11.716 2.967 1.00 0.00 H new ATOM 451 N GLU A 32 12.116 6.084 7.253 1.00 0.00 N ATOM 452 CA GLU A 32 12.023 6.543 8.634 1.00 0.00 C ATOM 453 C GLU A 32 10.732 7.325 8.862 1.00 0.00 C ATOM 454 O GLU A 32 9.940 6.991 9.743 1.00 0.00 O ATOM 455 CB GLU A 32 13.229 7.415 8.988 1.00 0.00 C ATOM 456 CG GLU A 32 14.564 6.715 8.792 1.00 0.00 C ATOM 457 CD GLU A 32 15.671 7.325 9.630 1.00 0.00 C ATOM 458 OE1 GLU A 32 15.396 7.715 10.784 1.00 0.00 O ATOM 459 OE2 GLU A 32 16.812 7.413 9.130 1.00 0.00 O ATOM 0 H GLU A 32 13.058 6.106 6.863 1.00 0.00 H new ATOM 0 HA GLU A 32 12.016 5.666 9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.207 8.316 8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 32 13.144 7.733 10.027 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.458 5.661 9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.843 6.761 7.739 1.00 0.00 H new ATOM 466 N GLN A 33 10.529 8.367 8.063 1.00 0.00 N ATOM 467 CA GLN A 33 9.336 9.197 8.178 1.00 0.00 C ATOM 468 C GLN A 33 8.072 8.351 8.064 1.00 0.00 C ATOM 469 O GLN A 33 7.085 8.596 8.756 1.00 0.00 O ATOM 470 CB GLN A 33 9.338 10.282 7.100 1.00 0.00 C ATOM 471 CG GLN A 33 9.956 11.593 7.558 1.00 0.00 C ATOM 472 CD GLN A 33 10.613 12.356 6.424 1.00 0.00 C ATOM 473 OE1 GLN A 33 10.002 12.587 5.380 1.00 0.00 O ATOM 474 NE2 GLN A 33 11.864 12.752 6.624 1.00 0.00 N ATOM 0 H GLN A 33 11.175 8.657 7.329 1.00 0.00 H new ATOM 0 HA GLN A 33 9.346 9.671 9.159 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.884 9.917 6.230 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.313 10.466 6.779 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.184 12.216 8.011 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.697 11.391 8.332 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.332 12.539 7.505 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.357 13.270 5.897 1.00 0.00 H new ATOM 483 N GLY A 34 8.109 7.356 7.183 1.00 0.00 N ATOM 484 CA GLY A 34 6.960 6.490 6.994 1.00 0.00 C ATOM 485 C GLY A 34 5.657 7.261 6.930 1.00 0.00 C ATOM 486 O GLY A 34 4.612 6.765 7.351 1.00 0.00 O ATOM 0 H GLY A 34 8.914 7.134 6.597 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.086 5.919 6.074 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.913 5.770 7.811 1.00 0.00 H new ATOM 490 N ARG A 35 5.718 8.480 6.403 1.00 0.00 N ATOM 491 CA ARG A 35 4.534 9.323 6.288 1.00 0.00 C ATOM 492 C ARG A 35 4.135 9.504 4.826 1.00 0.00 C ATOM 493 O ARG A 35 4.709 8.880 3.934 1.00 0.00 O ATOM 494 CB ARG A 35 4.788 10.687 6.931 1.00 0.00 C ATOM 495 CG ARG A 35 5.688 11.592 6.105 1.00 0.00 C ATOM 496 CD ARG A 35 6.499 12.527 6.987 1.00 0.00 C ATOM 497 NE ARG A 35 5.656 13.502 7.673 1.00 0.00 N ATOM 498 CZ ARG A 35 5.250 14.640 7.121 1.00 0.00 C ATOM 499 NH1 ARG A 35 5.608 14.944 5.882 1.00 0.00 N ATOM 500 NH2 ARG A 35 4.483 15.476 7.810 1.00 0.00 N ATOM 0 H ARG A 35 6.575 8.906 6.049 1.00 0.00 H new ATOM 0 HA ARG A 35 3.715 8.829 6.812 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.833 11.187 7.091 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.239 10.538 7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.362 10.984 5.502 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.081 12.177 5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.050 11.943 7.724 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.237 13.050 6.378 1.00 0.00 H new ATOM 0 HE ARG A 35 5.363 13.298 8.628 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.197 14.303 5.350 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.295 15.819 5.461 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.205 15.245 8.764 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.172 16.350 7.386 1.00 0.00 H new ATOM 514 N ASP A 36 3.149 10.362 4.590 1.00 0.00 N ATOM 515 CA ASP A 36 2.673 10.626 3.237 1.00 0.00 C ATOM 516 C ASP A 36 3.649 11.525 2.484 1.00 0.00 C ATOM 517 O ASP A 36 3.245 12.490 1.835 1.00 0.00 O ATOM 518 CB ASP A 36 1.289 11.275 3.277 1.00 0.00 C ATOM 519 CG ASP A 36 1.259 12.521 4.141 1.00 0.00 C ATOM 520 OD1 ASP A 36 1.635 13.601 3.638 1.00 0.00 O ATOM 521 OD2 ASP A 36 0.859 12.416 5.319 1.00 0.00 O ATOM 0 H ASP A 36 2.664 10.887 5.318 1.00 0.00 H new ATOM 0 HA ASP A 36 2.603 9.674 2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.982 11.532 2.263 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.564 10.555 3.657 1.00 0.00 H new ATOM 526 N SER A 37 4.935 11.202 2.576 1.00 0.00 N ATOM 527 CA SER A 37 5.969 11.984 1.907 1.00 0.00 C ATOM 528 C SER A 37 6.578 11.200 0.749 1.00 0.00 C ATOM 529 O SER A 37 6.900 10.020 0.884 1.00 0.00 O ATOM 530 CB SER A 37 7.062 12.378 2.902 1.00 0.00 C ATOM 531 OG SER A 37 6.774 13.626 3.508 1.00 0.00 O ATOM 0 H SER A 37 5.286 10.405 3.107 1.00 0.00 H new ATOM 0 HA SER A 37 5.507 12.887 1.508 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.153 11.610 3.670 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.022 12.432 2.389 1.00 0.00 H new ATOM 0 HG SER A 37 7.597 14.006 3.881 1.00 0.00 H new ATOM 537 N PHE A 38 6.732 11.866 -0.391 1.00 0.00 N ATOM 538 CA PHE A 38 7.302 11.234 -1.575 1.00 0.00 C ATOM 539 C PHE A 38 8.042 12.254 -2.434 1.00 0.00 C ATOM 540 O PHE A 38 7.805 13.457 -2.330 1.00 0.00 O ATOM 541 CB PHE A 38 6.202 10.559 -2.398 1.00 0.00 C ATOM 542 CG PHE A 38 5.233 9.767 -1.568 1.00 0.00 C ATOM 543 CD1 PHE A 38 4.252 10.404 -0.827 1.00 0.00 C ATOM 544 CD2 PHE A 38 5.304 8.383 -1.529 1.00 0.00 C ATOM 545 CE1 PHE A 38 3.358 9.678 -0.062 1.00 0.00 C ATOM 546 CE2 PHE A 38 4.414 7.651 -0.766 1.00 0.00 C ATOM 547 CZ PHE A 38 3.440 8.299 -0.031 1.00 0.00 C ATOM 0 H PHE A 38 6.470 12.843 -0.520 1.00 0.00 H new ATOM 0 HA PHE A 38 8.015 10.479 -1.245 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.655 11.321 -2.953 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.663 9.899 -3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 38 4.184 11.482 -0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.063 7.871 -2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.597 10.188 0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.480 6.573 -0.744 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.744 7.729 0.567 1.00 0.00 H new ATOM 557 N GLU A 39 8.941 11.764 -3.283 1.00 0.00 N ATOM 558 CA GLU A 39 9.717 12.634 -4.159 1.00 0.00 C ATOM 559 C GLU A 39 9.157 12.616 -5.578 1.00 0.00 C ATOM 560 O GLU A 39 8.359 11.747 -5.931 1.00 0.00 O ATOM 561 CB GLU A 39 11.185 12.202 -4.172 1.00 0.00 C ATOM 562 CG GLU A 39 12.048 13.010 -5.127 1.00 0.00 C ATOM 563 CD GLU A 39 13.512 12.620 -5.062 1.00 0.00 C ATOM 564 OE1 GLU A 39 13.906 11.680 -5.785 1.00 0.00 O ATOM 565 OE2 GLU A 39 14.262 13.252 -4.290 1.00 0.00 O ATOM 0 H GLU A 39 9.149 10.770 -3.382 1.00 0.00 H new ATOM 0 HA GLU A 39 9.648 13.651 -3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.591 12.292 -3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.243 11.149 -4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.684 12.872 -6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.947 14.070 -4.893 1.00 0.00 H new ATOM 572 N ASP A 40 9.581 13.580 -6.388 1.00 0.00 N ATOM 573 CA ASP A 40 9.123 13.676 -7.769 1.00 0.00 C ATOM 574 C ASP A 40 9.053 12.295 -8.415 1.00 0.00 C ATOM 575 O ASP A 40 8.125 11.998 -9.166 1.00 0.00 O ATOM 576 CB ASP A 40 10.053 14.584 -8.575 1.00 0.00 C ATOM 577 CG ASP A 40 9.331 15.300 -9.699 1.00 0.00 C ATOM 578 OD1 ASP A 40 9.057 14.656 -10.733 1.00 0.00 O ATOM 579 OD2 ASP A 40 9.041 16.505 -9.546 1.00 0.00 O ATOM 0 H ASP A 40 10.242 14.306 -6.112 1.00 0.00 H new ATOM 0 HA ASP A 40 8.122 14.107 -7.765 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.504 15.320 -7.910 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.867 13.989 -8.990 1.00 0.00 H new ATOM 584 N GLU A 41 10.042 11.458 -8.118 1.00 0.00 N ATOM 585 CA GLU A 41 10.092 10.110 -8.672 1.00 0.00 C ATOM 586 C GLU A 41 11.230 9.307 -8.047 1.00 0.00 C ATOM 587 O GLU A 41 12.088 9.858 -7.358 1.00 0.00 O ATOM 588 CB GLU A 41 10.267 10.165 -10.191 1.00 0.00 C ATOM 589 CG GLU A 41 11.475 10.972 -10.636 1.00 0.00 C ATOM 590 CD GLU A 41 11.536 11.149 -12.141 1.00 0.00 C ATOM 591 OE1 GLU A 41 10.739 11.948 -12.676 1.00 0.00 O ATOM 592 OE2 GLU A 41 12.380 10.490 -12.783 1.00 0.00 O ATOM 0 H GLU A 41 10.818 11.689 -7.498 1.00 0.00 H new ATOM 0 HA GLU A 41 9.150 9.614 -8.440 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.358 9.149 -10.575 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.370 10.595 -10.636 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.448 11.952 -10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.384 10.476 -10.295 1.00 0.00 H new ATOM 599 N GLY A 42 11.230 8.001 -8.293 1.00 0.00 N ATOM 600 CA GLY A 42 12.265 7.143 -7.748 1.00 0.00 C ATOM 601 C GLY A 42 11.698 5.940 -7.021 1.00 0.00 C ATOM 602 O GLY A 42 10.877 5.205 -7.569 1.00 0.00 O ATOM 0 H GLY A 42 10.531 7.522 -8.860 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.913 6.803 -8.556 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.886 7.719 -7.062 1.00 0.00 H new ATOM 606 N ARG A 43 12.138 5.737 -5.783 1.00 0.00 N ATOM 607 CA ARG A 43 11.671 4.613 -4.981 1.00 0.00 C ATOM 608 C ARG A 43 10.631 5.068 -3.961 1.00 0.00 C ATOM 609 O ARG A 43 9.695 4.334 -3.644 1.00 0.00 O ATOM 610 CB ARG A 43 12.846 3.947 -4.264 1.00 0.00 C ATOM 611 CG ARG A 43 13.536 4.851 -3.255 1.00 0.00 C ATOM 612 CD ARG A 43 14.666 4.127 -2.540 1.00 0.00 C ATOM 613 NE ARG A 43 15.921 4.202 -3.282 1.00 0.00 N ATOM 614 CZ ARG A 43 16.986 3.458 -3.003 1.00 0.00 C ATOM 615 NH1 ARG A 43 16.947 2.588 -2.003 1.00 0.00 N ATOM 616 NH2 ARG A 43 18.092 3.583 -3.725 1.00 0.00 N ATOM 0 H ARG A 43 12.817 6.336 -5.314 1.00 0.00 H new ATOM 0 HA ARG A 43 11.206 3.890 -5.651 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.489 3.053 -3.753 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.575 3.621 -5.005 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.930 5.731 -3.763 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.809 5.204 -2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.804 4.560 -1.549 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.392 3.082 -2.395 1.00 0.00 H new ATOM 0 HE ARG A 43 15.984 4.862 -4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.098 2.489 -1.446 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.766 2.018 -1.791 1.00 0.00 H new ATOM 0 HH21 ARG A 43 18.125 4.251 -4.495 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.909 3.011 -3.510 1.00 0.00 H new ATOM 630 N TRP A 44 10.802 6.282 -3.451 1.00 0.00 N ATOM 631 CA TRP A 44 9.879 6.835 -2.466 1.00 0.00 C ATOM 632 C TRP A 44 8.848 7.738 -3.133 1.00 0.00 C ATOM 633 O TRP A 44 8.482 8.782 -2.594 1.00 0.00 O ATOM 634 CB TRP A 44 10.647 7.618 -1.400 1.00 0.00 C ATOM 635 CG TRP A 44 11.773 6.841 -0.788 1.00 0.00 C ATOM 636 CD1 TRP A 44 13.087 7.210 -0.731 1.00 0.00 C ATOM 637 CD2 TRP A 44 11.685 5.563 -0.149 1.00 0.00 C ATOM 638 NE1 TRP A 44 13.821 6.237 -0.095 1.00 0.00 N ATOM 639 CE2 TRP A 44 12.984 5.217 0.272 1.00 0.00 C ATOM 640 CE3 TRP A 44 10.635 4.677 0.109 1.00 0.00 C ATOM 641 CZ2 TRP A 44 13.258 4.024 0.936 1.00 0.00 C ATOM 642 CZ3 TRP A 44 10.909 3.494 0.768 1.00 0.00 C ATOM 643 CH2 TRP A 44 12.211 3.176 1.176 1.00 0.00 C ATOM 0 H TRP A 44 11.571 6.903 -3.703 1.00 0.00 H new ATOM 0 HA TRP A 44 9.355 6.006 -1.991 1.00 0.00 H new ATOM 0 HB2 TRP A 44 11.044 8.530 -1.845 1.00 0.00 H new ATOM 0 HB3 TRP A 44 9.956 7.922 -0.614 1.00 0.00 H new ATOM 0 HD1 TRP A 44 13.490 8.130 -1.127 1.00 0.00 H new ATOM 0 HE1 TRP A 44 14.826 6.269 0.076 1.00 0.00 H new ATOM 0 HE3 TRP A 44 9.628 4.913 -0.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 14.261 3.777 1.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 10.105 2.802 0.972 1.00 0.00 H new ATOM 0 HH2 TRP A 44 12.392 2.244 1.690 1.00 0.00 H new ATOM 654 N ARG A 45 8.382 7.329 -4.309 1.00 0.00 N ATOM 655 CA ARG A 45 7.393 8.102 -5.050 1.00 0.00 C ATOM 656 C ARG A 45 5.977 7.690 -4.659 1.00 0.00 C ATOM 657 O ARG A 45 5.747 6.566 -4.212 1.00 0.00 O ATOM 658 CB ARG A 45 7.593 7.917 -6.555 1.00 0.00 C ATOM 659 CG ARG A 45 7.263 6.517 -7.046 1.00 0.00 C ATOM 660 CD ARG A 45 6.753 6.534 -8.478 1.00 0.00 C ATOM 661 NE ARG A 45 7.002 5.268 -9.163 1.00 0.00 N ATOM 662 CZ ARG A 45 8.143 4.978 -9.778 1.00 0.00 C ATOM 663 NH1 ARG A 45 9.135 5.858 -9.793 1.00 0.00 N ATOM 664 NH2 ARG A 45 8.294 3.805 -10.379 1.00 0.00 N ATOM 0 H ARG A 45 8.674 6.467 -4.769 1.00 0.00 H new ATOM 0 HA ARG A 45 7.529 9.154 -4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.969 8.636 -7.087 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.629 8.146 -6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.152 5.889 -6.983 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.511 6.070 -6.396 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.683 6.743 -8.479 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.236 7.343 -9.025 1.00 0.00 H new ATOM 0 HE ARG A 45 6.259 4.569 -9.169 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.023 6.761 -9.331 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.010 5.632 -10.266 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.534 3.125 -10.369 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.170 3.583 -10.851 1.00 0.00 H new ATOM 678 N LEU A 46 5.031 8.607 -4.831 1.00 0.00 N ATOM 679 CA LEU A 46 3.636 8.340 -4.496 1.00 0.00 C ATOM 680 C LEU A 46 2.937 7.597 -5.630 1.00 0.00 C ATOM 681 O LEU A 46 2.517 8.203 -6.616 1.00 0.00 O ATOM 682 CB LEU A 46 2.902 9.649 -4.200 1.00 0.00 C ATOM 683 CG LEU A 46 1.614 9.527 -3.386 1.00 0.00 C ATOM 684 CD1 LEU A 46 1.371 10.792 -2.578 1.00 0.00 C ATOM 685 CD2 LEU A 46 0.431 9.240 -4.300 1.00 0.00 C ATOM 0 H LEU A 46 5.204 9.542 -5.200 1.00 0.00 H new ATOM 0 HA LEU A 46 3.616 7.710 -3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.584 10.312 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.665 10.131 -5.148 1.00 0.00 H new ATOM 0 HG LEU A 46 1.723 8.693 -2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.450 10.686 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.206 10.954 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.283 11.643 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.478 9.156 -3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.320 10.053 -5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.602 8.305 -4.834 1.00 0.00 H new ATOM 697 N ILE A 47 2.813 6.282 -5.481 1.00 0.00 N ATOM 698 CA ILE A 47 2.162 5.457 -6.491 1.00 0.00 C ATOM 699 C ILE A 47 0.688 5.248 -6.162 1.00 0.00 C ATOM 700 O ILE A 47 0.346 4.667 -5.131 1.00 0.00 O ATOM 701 CB ILE A 47 2.847 4.084 -6.624 1.00 0.00 C ATOM 702 CG1 ILE A 47 4.323 4.259 -6.984 1.00 0.00 C ATOM 703 CG2 ILE A 47 2.138 3.238 -7.671 1.00 0.00 C ATOM 704 CD1 ILE A 47 5.011 2.966 -7.361 1.00 0.00 C ATOM 0 H ILE A 47 3.155 5.765 -4.671 1.00 0.00 H new ATOM 0 HA ILE A 47 2.249 5.990 -7.438 1.00 0.00 H new ATOM 0 HB ILE A 47 2.785 3.569 -5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.405 4.960 -7.814 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.845 4.705 -6.137 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.634 2.271 -7.754 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.099 3.090 -7.376 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.173 3.747 -8.634 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.055 3.166 -7.604 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.961 2.270 -6.524 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.514 2.529 -8.227 1.00 0.00 H new ATOM 716 N LEU A 48 -0.183 5.724 -7.045 1.00 0.00 N ATOM 717 CA LEU A 48 -1.622 5.588 -6.851 1.00 0.00 C ATOM 718 C LEU A 48 -2.156 4.356 -7.577 1.00 0.00 C ATOM 719 O LEU A 48 -1.707 4.027 -8.675 1.00 0.00 O ATOM 720 CB LEU A 48 -2.345 6.840 -7.349 1.00 0.00 C ATOM 721 CG LEU A 48 -2.193 8.092 -6.483 1.00 0.00 C ATOM 722 CD1 LEU A 48 -2.697 9.319 -7.226 1.00 0.00 C ATOM 723 CD2 LEU A 48 -2.935 7.922 -5.165 1.00 0.00 C ATOM 0 H LEU A 48 0.083 6.208 -7.903 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.809 5.468 -5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.983 7.070 -8.351 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.407 6.611 -7.438 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.134 8.234 -6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.581 10.200 -6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.122 9.451 -8.142 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.750 9.187 -7.474 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.816 8.822 -4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.994 7.755 -5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.527 7.067 -4.626 1.00 0.00 H new ATOM 735 N CYS A 49 -3.118 3.681 -6.957 1.00 0.00 N ATOM 736 CA CYS A 49 -3.715 2.488 -7.544 1.00 0.00 C ATOM 737 C CYS A 49 -4.099 2.731 -9.001 1.00 0.00 C ATOM 738 O CYS A 49 -4.270 3.873 -9.425 1.00 0.00 O ATOM 739 CB CYS A 49 -4.949 2.063 -6.744 1.00 0.00 C ATOM 740 SG CYS A 49 -5.743 0.542 -7.355 1.00 0.00 S ATOM 0 H CYS A 49 -3.501 3.940 -6.048 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.975 1.688 -7.511 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.661 1.917 -5.703 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.678 2.873 -6.763 1.00 0.00 H new ATOM 745 N ALA A 50 -4.232 1.649 -9.760 1.00 0.00 N ATOM 746 CA ALA A 50 -4.598 1.744 -11.168 1.00 0.00 C ATOM 747 C ALA A 50 -6.007 1.213 -11.407 1.00 0.00 C ATOM 748 O ALA A 50 -6.747 1.736 -12.241 1.00 0.00 O ATOM 749 CB ALA A 50 -3.594 0.988 -12.026 1.00 0.00 C ATOM 0 H ALA A 50 -4.092 0.696 -9.424 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.583 2.796 -11.451 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.879 1.067 -13.075 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.601 1.416 -11.887 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.581 -0.061 -11.732 1.00 0.00 H new ATOM 755 N THR A 51 -6.374 0.170 -10.669 1.00 0.00 N ATOM 756 CA THR A 51 -7.694 -0.434 -10.802 1.00 0.00 C ATOM 757 C THR A 51 -8.791 0.553 -10.419 1.00 0.00 C ATOM 758 O THR A 51 -9.725 0.788 -11.186 1.00 0.00 O ATOM 759 CB THR A 51 -7.826 -1.695 -9.927 1.00 0.00 C ATOM 760 OG1 THR A 51 -6.875 -2.681 -10.343 1.00 0.00 O ATOM 761 CG2 THR A 51 -9.232 -2.269 -10.014 1.00 0.00 C ATOM 0 H THR A 51 -5.775 -0.274 -9.973 1.00 0.00 H new ATOM 0 HA THR A 51 -7.809 -0.714 -11.849 1.00 0.00 H new ATOM 0 HB THR A 51 -7.629 -1.415 -8.892 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.964 -3.479 -9.781 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.301 -3.159 -9.388 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.950 -1.526 -9.669 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.453 -2.535 -11.048 1.00 0.00 H new ATOM 769 N CYS A 52 -8.672 1.130 -9.228 1.00 0.00 N ATOM 770 CA CYS A 52 -9.653 2.093 -8.742 1.00 0.00 C ATOM 771 C CYS A 52 -9.023 3.473 -8.573 1.00 0.00 C ATOM 772 O CYS A 52 -9.652 4.492 -8.857 1.00 0.00 O ATOM 773 CB CYS A 52 -10.243 1.624 -7.411 1.00 0.00 C ATOM 774 SG CYS A 52 -9.078 1.698 -6.013 1.00 0.00 S ATOM 0 H CYS A 52 -7.905 0.947 -8.581 1.00 0.00 H new ATOM 0 HA CYS A 52 -10.451 2.165 -9.481 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.114 2.236 -7.177 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -10.594 0.598 -7.523 1.00 0.00 H new ATOM 779 N GLY A 53 -7.777 3.497 -8.110 1.00 0.00 N ATOM 780 CA GLY A 53 -7.084 4.756 -7.912 1.00 0.00 C ATOM 781 C GLY A 53 -7.556 5.489 -6.672 1.00 0.00 C ATOM 782 O GLY A 53 -7.681 6.714 -6.676 1.00 0.00 O ATOM 0 H GLY A 53 -7.235 2.667 -7.869 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.013 4.569 -7.834 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.234 5.391 -8.785 1.00 0.00 H new ATOM 786 N SER A 54 -7.820 4.738 -5.607 1.00 0.00 N ATOM 787 CA SER A 54 -8.287 5.324 -4.356 1.00 0.00 C ATOM 788 C SER A 54 -7.292 5.062 -3.229 1.00 0.00 C ATOM 789 O SER A 54 -7.654 5.070 -2.052 1.00 0.00 O ATOM 790 CB SER A 54 -9.658 4.757 -3.983 1.00 0.00 C ATOM 791 OG SER A 54 -10.701 5.541 -4.537 1.00 0.00 O ATOM 0 H SER A 54 -7.718 3.723 -5.586 1.00 0.00 H new ATOM 0 HA SER A 54 -8.374 6.401 -4.498 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.740 3.731 -4.341 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.759 4.725 -2.898 1.00 0.00 H new ATOM 0 HG SER A 54 -11.567 5.157 -4.286 1.00 0.00 H new ATOM 797 N HIS A 55 -6.037 4.829 -3.599 1.00 0.00 N ATOM 798 CA HIS A 55 -4.988 4.564 -2.620 1.00 0.00 C ATOM 799 C HIS A 55 -3.651 5.128 -3.091 1.00 0.00 C ATOM 800 O HIS A 55 -3.393 5.222 -4.290 1.00 0.00 O ATOM 801 CB HIS A 55 -4.862 3.061 -2.370 1.00 0.00 C ATOM 802 CG HIS A 55 -6.103 2.442 -1.805 1.00 0.00 C ATOM 803 ND1 HIS A 55 -7.109 1.921 -2.590 1.00 0.00 N ATOM 804 CD2 HIS A 55 -6.497 2.260 -0.522 1.00 0.00 C ATOM 805 CE1 HIS A 55 -8.069 1.447 -1.816 1.00 0.00 C ATOM 806 NE2 HIS A 55 -7.722 1.640 -0.557 1.00 0.00 N ATOM 0 H HIS A 55 -5.721 4.818 -4.569 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.262 5.057 -1.687 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -4.613 2.565 -3.308 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -4.033 2.883 -1.685 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -7.112 1.904 -3.610 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.950 2.549 0.363 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.982 0.981 -2.155 1.00 0.00 H new ATOM 815 N GLY A 56 -2.802 5.501 -2.137 1.00 0.00 N ATOM 816 CA GLY A 56 -1.503 6.051 -2.475 1.00 0.00 C ATOM 817 C GLY A 56 -0.424 5.634 -1.494 1.00 0.00 C ATOM 818 O GLY A 56 -0.549 5.858 -0.290 1.00 0.00 O ATOM 0 H GLY A 56 -2.991 5.432 -1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.224 5.726 -3.477 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.567 7.139 -2.499 1.00 0.00 H new ATOM 822 N THR A 57 0.638 5.024 -2.010 1.00 0.00 N ATOM 823 CA THR A 57 1.741 4.572 -1.172 1.00 0.00 C ATOM 824 C THR A 57 3.059 4.595 -1.938 1.00 0.00 C ATOM 825 O THR A 57 3.079 4.786 -3.154 1.00 0.00 O ATOM 826 CB THR A 57 1.495 3.148 -0.639 1.00 0.00 C ATOM 827 OG1 THR A 57 2.435 2.843 0.397 1.00 0.00 O ATOM 828 CG2 THR A 57 1.616 2.123 -1.757 1.00 0.00 C ATOM 0 H THR A 57 0.757 4.832 -3.005 1.00 0.00 H new ATOM 0 HA THR A 57 1.801 5.262 -0.330 1.00 0.00 H new ATOM 0 HB THR A 57 0.483 3.105 -0.236 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.008 2.961 1.271 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.438 1.125 -1.356 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.880 2.340 -2.531 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.617 2.169 -2.186 1.00 0.00 H new ATOM 836 N HIS A 58 4.160 4.398 -1.219 1.00 0.00 N ATOM 837 CA HIS A 58 5.483 4.395 -1.832 1.00 0.00 C ATOM 838 C HIS A 58 5.646 3.202 -2.768 1.00 0.00 C ATOM 839 O HIS A 58 4.761 2.351 -2.864 1.00 0.00 O ATOM 840 CB HIS A 58 6.568 4.364 -0.754 1.00 0.00 C ATOM 841 CG HIS A 58 6.318 5.317 0.374 1.00 0.00 C ATOM 842 ND1 HIS A 58 6.750 6.584 0.576 1.00 0.00 N flip ATOM 843 CD2 HIS A 58 5.541 5.000 1.468 1.00 0.00 C flip ATOM 844 CE1 HIS A 58 6.229 7.005 1.774 1.00 0.00 C flip ATOM 845 NE2 HIS A 58 5.503 6.031 2.293 1.00 0.00 N flip ATOM 0 H HIS A 58 4.162 4.238 -0.212 1.00 0.00 H new ATOM 0 HA HIS A 58 5.587 5.309 -2.416 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.643 3.353 -0.355 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.529 4.599 -1.211 1.00 0.00 H new ATOM 0 HD1 HIS A 58 7.351 7.125 -0.046 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.041 4.056 1.626 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.387 7.976 2.220 1.00 0.00 H new ATOM 853 N ARG A 59 6.781 3.146 -3.457 1.00 0.00 N ATOM 854 CA ARG A 59 7.058 2.058 -4.387 1.00 0.00 C ATOM 855 C ARG A 59 7.709 0.880 -3.668 1.00 0.00 C ATOM 856 O ARG A 59 7.151 -0.216 -3.621 1.00 0.00 O ATOM 857 CB ARG A 59 7.966 2.544 -5.518 1.00 0.00 C ATOM 858 CG ARG A 59 8.040 1.585 -6.695 1.00 0.00 C ATOM 859 CD ARG A 59 9.187 0.599 -6.538 1.00 0.00 C ATOM 860 NE ARG A 59 10.487 1.263 -6.562 1.00 0.00 N ATOM 861 CZ ARG A 59 11.091 1.655 -7.678 1.00 0.00 C ATOM 862 NH1 ARG A 59 10.516 1.451 -8.855 1.00 0.00 N ATOM 863 NH2 ARG A 59 12.274 2.253 -7.618 1.00 0.00 N ATOM 0 H ARG A 59 7.524 3.842 -3.389 1.00 0.00 H new ATOM 0 HA ARG A 59 6.110 1.725 -4.809 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.607 3.511 -5.870 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.970 2.701 -5.124 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.100 1.040 -6.782 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.168 2.150 -7.619 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.074 0.058 -5.599 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.142 -0.139 -7.339 1.00 0.00 H new ATOM 0 HE ARG A 59 10.957 1.435 -5.673 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.607 0.992 -8.906 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.983 1.753 -9.710 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.720 2.412 -6.714 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.737 2.554 -8.475 1.00 0.00 H new ATOM 877 N ASP A 60 8.891 1.115 -3.109 1.00 0.00 N ATOM 878 CA ASP A 60 9.618 0.075 -2.392 1.00 0.00 C ATOM 879 C ASP A 60 8.833 -0.393 -1.170 1.00 0.00 C ATOM 880 O ASP A 60 8.971 -1.535 -0.730 1.00 0.00 O ATOM 881 CB ASP A 60 10.994 0.587 -1.963 1.00 0.00 C ATOM 882 CG ASP A 60 12.044 0.393 -3.039 1.00 0.00 C ATOM 883 OD1 ASP A 60 11.754 -0.305 -4.034 1.00 0.00 O ATOM 884 OD2 ASP A 60 13.157 0.939 -2.887 1.00 0.00 O ATOM 0 H ASP A 60 9.366 2.017 -3.139 1.00 0.00 H new ATOM 0 HA ASP A 60 9.748 -0.772 -3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.923 1.646 -1.715 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.306 0.067 -1.057 1.00 0.00 H new ATOM 889 N CYS A 61 8.009 0.497 -0.626 1.00 0.00 N ATOM 890 CA CYS A 61 7.202 0.177 0.545 1.00 0.00 C ATOM 891 C CYS A 61 6.185 -0.915 0.224 1.00 0.00 C ATOM 892 O CYS A 61 5.880 -1.760 1.065 1.00 0.00 O ATOM 893 CB CYS A 61 6.481 1.428 1.051 1.00 0.00 C ATOM 894 SG CYS A 61 5.643 1.206 2.653 1.00 0.00 S ATOM 0 H CYS A 61 7.883 1.446 -0.978 1.00 0.00 H new ATOM 0 HA CYS A 61 7.869 -0.190 1.325 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.203 2.240 1.140 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.745 1.736 0.308 1.00 0.00 H new ATOM 899 N SER A 62 5.665 -0.889 -0.999 1.00 0.00 N ATOM 900 CA SER A 62 4.680 -1.874 -1.431 1.00 0.00 C ATOM 901 C SER A 62 5.361 -3.161 -1.887 1.00 0.00 C ATOM 902 O SER A 62 4.780 -3.956 -2.625 1.00 0.00 O ATOM 903 CB SER A 62 3.824 -1.307 -2.565 1.00 0.00 C ATOM 904 OG SER A 62 2.656 -0.684 -2.061 1.00 0.00 O ATOM 0 H SER A 62 5.909 -0.197 -1.708 1.00 0.00 H new ATOM 0 HA SER A 62 4.038 -2.105 -0.581 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.406 -0.585 -3.138 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.546 -2.108 -3.250 1.00 0.00 H new ATOM 0 HG SER A 62 1.893 -0.906 -2.635 1.00 0.00 H new ATOM 910 N SER A 63 6.598 -3.358 -1.441 1.00 0.00 N ATOM 911 CA SER A 63 7.362 -4.545 -1.806 1.00 0.00 C ATOM 912 C SER A 63 7.266 -4.813 -3.304 1.00 0.00 C ATOM 913 O SER A 63 7.177 -5.963 -3.737 1.00 0.00 O ATOM 914 CB SER A 63 6.857 -5.761 -1.026 1.00 0.00 C ATOM 915 OG SER A 63 7.900 -6.695 -0.808 1.00 0.00 O ATOM 0 H SER A 63 7.092 -2.711 -0.827 1.00 0.00 H new ATOM 0 HA SER A 63 8.407 -4.367 -1.553 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.447 -5.439 -0.069 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.046 -6.238 -1.576 1.00 0.00 H new ATOM 0 HG SER A 63 7.553 -7.462 -0.307 1.00 0.00 H new ATOM 921 N LEU A 64 7.286 -3.744 -4.093 1.00 0.00 N ATOM 922 CA LEU A 64 7.202 -3.862 -5.544 1.00 0.00 C ATOM 923 C LEU A 64 8.588 -4.040 -6.157 1.00 0.00 C ATOM 924 O LEU A 64 9.603 -3.843 -5.489 1.00 0.00 O ATOM 925 CB LEU A 64 6.524 -2.626 -6.138 1.00 0.00 C ATOM 926 CG LEU A 64 5.176 -2.241 -5.527 1.00 0.00 C ATOM 927 CD1 LEU A 64 4.761 -0.851 -5.983 1.00 0.00 C ATOM 928 CD2 LEU A 64 4.113 -3.265 -5.895 1.00 0.00 C ATOM 0 H LEU A 64 7.360 -2.786 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 64 6.605 -4.744 -5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.202 -1.779 -6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.382 -2.792 -7.206 1.00 0.00 H new ATOM 0 HG LEU A 64 5.280 -2.229 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.800 -0.594 -5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.512 -0.126 -5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.674 -0.835 -7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.160 -2.976 -5.452 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.010 -3.309 -6.979 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.406 -4.245 -5.518 1.00 0.00 H new ATOM 940 N ARG A 65 8.621 -4.411 -7.433 1.00 0.00 N ATOM 941 CA ARG A 65 9.882 -4.615 -8.136 1.00 0.00 C ATOM 942 C ARG A 65 10.295 -3.352 -8.887 1.00 0.00 C ATOM 943 O ARG A 65 9.484 -2.464 -9.152 1.00 0.00 O ATOM 944 CB ARG A 65 9.763 -5.786 -9.112 1.00 0.00 C ATOM 945 CG ARG A 65 10.161 -7.124 -8.510 1.00 0.00 C ATOM 946 CD ARG A 65 9.348 -7.438 -7.264 1.00 0.00 C ATOM 947 NE ARG A 65 8.128 -8.177 -7.579 1.00 0.00 N ATOM 948 CZ ARG A 65 8.083 -9.498 -7.715 1.00 0.00 C ATOM 949 NH1 ARG A 65 9.184 -10.220 -7.564 1.00 0.00 N ATOM 950 NH2 ARG A 65 6.935 -10.098 -8.002 1.00 0.00 N ATOM 0 H ARG A 65 7.790 -4.576 -8.001 1.00 0.00 H new ATOM 0 HA ARG A 65 10.649 -4.845 -7.396 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.734 -5.849 -9.467 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.389 -5.588 -9.982 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.017 -7.913 -9.248 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.222 -7.111 -8.260 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.956 -8.020 -6.571 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.088 -6.509 -6.757 1.00 0.00 H new ATOM 0 HE ARG A 65 7.263 -7.650 -7.701 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.068 -9.762 -7.343 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.147 -11.234 -7.669 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.086 -9.545 -8.118 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.902 -11.112 -8.106 1.00 0.00 H new ATOM 964 N PRO A 66 11.587 -3.269 -9.240 1.00 0.00 N ATOM 965 CA PRO A 66 12.137 -2.120 -9.965 1.00 0.00 C ATOM 966 C PRO A 66 11.638 -2.051 -11.405 1.00 0.00 C ATOM 967 O PRO A 66 12.012 -1.153 -12.158 1.00 0.00 O ATOM 968 CB PRO A 66 13.646 -2.371 -9.934 1.00 0.00 C ATOM 969 CG PRO A 66 13.783 -3.847 -9.787 1.00 0.00 C ATOM 970 CD PRO A 66 12.609 -4.290 -8.958 1.00 0.00 C ATOM 0 HA PRO A 66 11.839 -1.173 -9.515 1.00 0.00 H new ATOM 0 HB2 PRO A 66 14.125 -2.018 -10.848 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.118 -1.845 -9.104 1.00 0.00 H new ATOM 0 HG2 PRO A 66 13.781 -4.338 -10.760 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.724 -4.105 -9.301 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.270 -5.286 -9.241 1.00 0.00 H new ATOM 0 HD3 PRO A 66 12.857 -4.328 -7.897 1.00 0.00 H new ATOM 978 N ASN A 67 10.791 -3.004 -11.779 1.00 0.00 N ATOM 979 CA ASN A 67 10.241 -3.051 -13.129 1.00 0.00 C ATOM 980 C ASN A 67 8.768 -2.656 -13.130 1.00 0.00 C ATOM 981 O ASN A 67 8.314 -1.913 -14.001 1.00 0.00 O ATOM 982 CB ASN A 67 10.406 -4.452 -13.722 1.00 0.00 C ATOM 983 CG ASN A 67 11.812 -4.703 -14.231 1.00 0.00 C ATOM 984 OD1 ASN A 67 12.701 -5.086 -13.469 1.00 0.00 O ATOM 985 ND2 ASN A 67 12.020 -4.487 -15.524 1.00 0.00 N ATOM 0 H ASN A 67 10.470 -3.754 -11.167 1.00 0.00 H new ATOM 0 HA ASN A 67 10.791 -2.338 -13.743 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.159 -5.196 -12.964 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.698 -4.583 -14.540 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.946 -4.638 -15.924 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.254 -4.170 -16.118 1.00 0.00 H new ATOM 992 N SER A 68 8.026 -3.158 -12.148 1.00 0.00 N ATOM 993 CA SER A 68 6.602 -2.861 -12.037 1.00 0.00 C ATOM 994 C SER A 68 6.310 -1.431 -12.482 1.00 0.00 C ATOM 995 O SER A 68 7.113 -0.524 -12.264 1.00 0.00 O ATOM 996 CB SER A 68 6.128 -3.067 -10.597 1.00 0.00 C ATOM 997 OG SER A 68 4.715 -3.162 -10.535 1.00 0.00 O ATOM 0 H SER A 68 8.387 -3.772 -11.418 1.00 0.00 H new ATOM 0 HA SER A 68 6.060 -3.544 -12.691 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.575 -3.974 -10.190 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.468 -2.238 -9.977 1.00 0.00 H new ATOM 0 HG SER A 68 4.437 -3.295 -9.605 1.00 0.00 H new ATOM 1003 N LYS A 69 5.153 -1.238 -13.106 1.00 0.00 N ATOM 1004 CA LYS A 69 4.750 0.081 -13.581 1.00 0.00 C ATOM 1005 C LYS A 69 3.534 0.588 -12.813 1.00 0.00 C ATOM 1006 O LYS A 69 3.512 1.729 -12.349 1.00 0.00 O ATOM 1007 CB LYS A 69 4.437 0.032 -15.078 1.00 0.00 C ATOM 1008 CG LYS A 69 5.600 -0.452 -15.927 1.00 0.00 C ATOM 1009 CD LYS A 69 5.134 -0.915 -17.298 1.00 0.00 C ATOM 1010 CE LYS A 69 6.284 -0.957 -18.292 1.00 0.00 C ATOM 1011 NZ LYS A 69 6.596 0.393 -18.837 1.00 0.00 N ATOM 0 H LYS A 69 4.477 -1.978 -13.295 1.00 0.00 H new ATOM 0 HA LYS A 69 5.578 0.770 -13.411 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.582 -0.624 -15.241 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.144 1.027 -15.412 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.328 0.351 -16.041 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.107 -1.272 -15.418 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.686 -1.905 -17.216 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.358 -0.244 -17.666 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.170 -1.366 -17.806 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.031 -1.630 -19.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.385 0.322 -19.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.759 0.773 -19.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.862 1.029 -18.058 1.00 0.00 H new ATOM 1025 N LYS A 70 2.525 -0.265 -12.681 1.00 0.00 N ATOM 1026 CA LYS A 70 1.306 0.095 -11.967 1.00 0.00 C ATOM 1027 C LYS A 70 1.106 -0.799 -10.747 1.00 0.00 C ATOM 1028 O LYS A 70 1.452 -1.980 -10.768 1.00 0.00 O ATOM 1029 CB LYS A 70 0.095 -0.013 -12.896 1.00 0.00 C ATOM 1030 CG LYS A 70 -0.282 -1.444 -13.239 1.00 0.00 C ATOM 1031 CD LYS A 70 -1.678 -1.525 -13.834 1.00 0.00 C ATOM 1032 CE LYS A 70 -2.144 -2.967 -13.969 1.00 0.00 C ATOM 1033 NZ LYS A 70 -1.740 -3.562 -15.273 1.00 0.00 N ATOM 0 H LYS A 70 2.527 -1.212 -13.060 1.00 0.00 H new ATOM 0 HA LYS A 70 1.405 1.126 -11.628 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.758 0.476 -12.426 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.305 0.530 -13.818 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.440 -1.852 -13.946 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.232 -2.060 -12.341 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.376 -0.974 -13.204 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.686 -1.046 -14.813 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.728 -3.561 -13.155 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.229 -3.008 -13.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.077 -4.545 -15.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.158 -3.011 -16.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.703 -3.546 -15.355 1.00 0.00 H new ATOM 1047 N TRP A 71 0.545 -0.229 -9.687 1.00 0.00 N ATOM 1048 CA TRP A 71 0.297 -0.976 -8.459 1.00 0.00 C ATOM 1049 C TRP A 71 -1.179 -0.929 -8.082 1.00 0.00 C ATOM 1050 O TRP A 71 -1.885 0.020 -8.421 1.00 0.00 O ATOM 1051 CB TRP A 71 1.146 -0.415 -7.317 1.00 0.00 C ATOM 1052 CG TRP A 71 0.514 -0.583 -5.969 1.00 0.00 C ATOM 1053 CD1 TRP A 71 0.575 -1.688 -5.167 1.00 0.00 C ATOM 1054 CD2 TRP A 71 -0.276 0.382 -5.266 1.00 0.00 C ATOM 1055 NE1 TRP A 71 -0.130 -1.467 -4.008 1.00 0.00 N ATOM 1056 CE2 TRP A 71 -0.661 -0.205 -4.044 1.00 0.00 C ATOM 1057 CE3 TRP A 71 -0.695 1.685 -5.548 1.00 0.00 C ATOM 1058 CZ2 TRP A 71 -1.444 0.468 -3.110 1.00 0.00 C ATOM 1059 CZ3 TRP A 71 -1.472 2.351 -4.620 1.00 0.00 C ATOM 1060 CH2 TRP A 71 -1.840 1.742 -3.412 1.00 0.00 C ATOM 0 H TRP A 71 0.253 0.748 -9.653 1.00 0.00 H new ATOM 0 HA TRP A 71 0.575 -2.016 -8.633 1.00 0.00 H new ATOM 0 HB2 TRP A 71 2.117 -0.910 -7.319 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.328 0.645 -7.496 1.00 0.00 H new ATOM 0 HD1 TRP A 71 1.100 -2.600 -5.408 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.240 -2.135 -3.245 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.416 2.163 -6.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -1.729 0.000 -2.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.802 3.358 -4.829 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -2.448 2.289 -2.706 1.00 0.00 H new ATOM 1071 N GLU A 72 -1.639 -1.960 -7.379 1.00 0.00 N ATOM 1072 CA GLU A 72 -3.033 -2.035 -6.957 1.00 0.00 C ATOM 1073 C GLU A 72 -3.143 -1.994 -5.435 1.00 0.00 C ATOM 1074 O GLU A 72 -2.271 -2.493 -4.724 1.00 0.00 O ATOM 1075 CB GLU A 72 -3.683 -3.312 -7.492 1.00 0.00 C ATOM 1076 CG GLU A 72 -4.038 -3.242 -8.968 1.00 0.00 C ATOM 1077 CD GLU A 72 -4.139 -4.612 -9.610 1.00 0.00 C ATOM 1078 OE1 GLU A 72 -4.850 -5.476 -9.056 1.00 0.00 O ATOM 1079 OE2 GLU A 72 -3.507 -4.819 -10.667 1.00 0.00 O ATOM 0 H GLU A 72 -1.067 -2.754 -7.090 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.557 -1.171 -7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.005 -4.150 -7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.587 -3.517 -6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.987 -2.719 -9.085 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.284 -2.654 -9.492 1.00 0.00 H new ATOM 1086 N CYS A 73 -4.222 -1.395 -4.942 1.00 0.00 N ATOM 1087 CA CYS A 73 -4.449 -1.287 -3.506 1.00 0.00 C ATOM 1088 C CYS A 73 -4.855 -2.635 -2.917 1.00 0.00 C ATOM 1089 O CYS A 73 -5.249 -3.547 -3.641 1.00 0.00 O ATOM 1090 CB CYS A 73 -5.530 -0.245 -3.216 1.00 0.00 C ATOM 1091 SG CYS A 73 -7.182 -0.694 -3.839 1.00 0.00 S ATOM 0 H CYS A 73 -4.953 -0.977 -5.517 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.516 -0.972 -3.039 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.590 -0.089 -2.139 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.232 0.705 -3.659 1.00 0.00 H new ATOM 1096 N ASN A 74 -4.755 -2.751 -1.596 1.00 0.00 N ATOM 1097 CA ASN A 74 -5.112 -3.986 -0.909 1.00 0.00 C ATOM 1098 C ASN A 74 -6.513 -4.444 -1.303 1.00 0.00 C ATOM 1099 O ASN A 74 -6.707 -5.582 -1.728 1.00 0.00 O ATOM 1100 CB ASN A 74 -5.035 -3.792 0.607 1.00 0.00 C ATOM 1101 CG ASN A 74 -5.846 -4.825 1.365 1.00 0.00 C ATOM 1102 OD1 ASN A 74 -7.067 -4.714 1.474 1.00 0.00 O ATOM 1103 ND2 ASN A 74 -5.168 -5.838 1.892 1.00 0.00 N ATOM 0 H ASN A 74 -4.430 -2.005 -0.981 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.400 -4.756 -1.207 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.994 -3.847 0.925 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.394 -2.795 0.861 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.659 -6.565 2.412 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.156 -5.889 1.776 1.00 0.00 H new ATOM 1110 N GLU A 75 -7.484 -3.548 -1.160 1.00 0.00 N ATOM 1111 CA GLU A 75 -8.867 -3.861 -1.502 1.00 0.00 C ATOM 1112 C GLU A 75 -8.950 -4.544 -2.863 1.00 0.00 C ATOM 1113 O GLU A 75 -9.707 -5.498 -3.047 1.00 0.00 O ATOM 1114 CB GLU A 75 -9.715 -2.587 -1.506 1.00 0.00 C ATOM 1115 CG GLU A 75 -11.105 -2.783 -2.087 1.00 0.00 C ATOM 1116 CD GLU A 75 -12.085 -1.722 -1.626 1.00 0.00 C ATOM 1117 OE1 GLU A 75 -11.639 -0.597 -1.318 1.00 0.00 O ATOM 1118 OE2 GLU A 75 -13.298 -2.016 -1.573 1.00 0.00 O ATOM 0 H GLU A 75 -7.339 -2.601 -0.810 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.255 -4.545 -0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.806 -2.218 -0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.197 -1.817 -2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.045 -2.769 -3.175 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.479 -3.766 -1.801 1.00 0.00 H new ATOM 1125 N CYS A 76 -8.166 -4.050 -3.816 1.00 0.00 N ATOM 1126 CA CYS A 76 -8.150 -4.610 -5.161 1.00 0.00 C ATOM 1127 C CYS A 76 -7.414 -5.947 -5.185 1.00 0.00 C ATOM 1128 O CYS A 76 -7.964 -6.963 -5.612 1.00 0.00 O ATOM 1129 CB CYS A 76 -7.488 -3.634 -6.136 1.00 0.00 C ATOM 1130 SG CYS A 76 -8.522 -2.196 -6.564 1.00 0.00 S ATOM 0 H CYS A 76 -7.533 -3.262 -3.680 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.182 -4.777 -5.470 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.554 -3.280 -5.701 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.231 -4.169 -7.050 1.00 0.00 H new ATOM 1135 N LEU A 77 -6.169 -5.938 -4.723 1.00 0.00 N ATOM 1136 CA LEU A 77 -5.356 -7.149 -4.691 1.00 0.00 C ATOM 1137 C LEU A 77 -6.171 -8.338 -4.190 1.00 0.00 C ATOM 1138 O LEU A 77 -7.133 -8.189 -3.437 1.00 0.00 O ATOM 1139 CB LEU A 77 -4.133 -6.942 -3.796 1.00 0.00 C ATOM 1140 CG LEU A 77 -3.130 -5.887 -4.265 1.00 0.00 C ATOM 1141 CD1 LEU A 77 -2.197 -5.495 -3.129 1.00 0.00 C ATOM 1142 CD2 LEU A 77 -2.335 -6.400 -5.457 1.00 0.00 C ATOM 0 H LEU A 77 -5.700 -5.106 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.023 -7.361 -5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.479 -6.668 -2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.611 -7.894 -3.702 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.683 -5.001 -4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.490 -4.744 -3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.780 -5.086 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.651 -6.374 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.626 -5.636 -5.777 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.793 -7.302 -5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.016 -6.630 -6.277 1.00 0.00 H new ATOM 1154 N PRO A 78 -5.776 -9.547 -4.615 1.00 0.00 N ATOM 1155 CA PRO A 78 -6.454 -10.785 -4.220 1.00 0.00 C ATOM 1156 C PRO A 78 -6.235 -11.123 -2.750 1.00 0.00 C ATOM 1157 O PRO A 78 -5.265 -11.792 -2.395 1.00 0.00 O ATOM 1158 CB PRO A 78 -5.807 -11.845 -5.115 1.00 0.00 C ATOM 1159 CG PRO A 78 -4.464 -11.291 -5.448 1.00 0.00 C ATOM 1160 CD PRO A 78 -4.637 -9.799 -5.514 1.00 0.00 C ATOM 0 HA PRO A 78 -7.535 -10.712 -4.336 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -5.724 -12.802 -4.599 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.398 -12.018 -6.014 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -3.730 -11.566 -4.691 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -4.104 -11.685 -6.399 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.740 -9.276 -5.183 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.845 -9.463 -6.530 1.00 0.00 H new ATOM 1168 N ALA A 79 -7.142 -10.656 -1.898 1.00 0.00 N ATOM 1169 CA ALA A 79 -7.048 -10.911 -0.466 1.00 0.00 C ATOM 1170 C ALA A 79 -8.342 -11.514 0.070 1.00 0.00 C ATOM 1171 O ALA A 79 -9.435 -11.143 -0.358 1.00 0.00 O ATOM 1172 CB ALA A 79 -6.714 -9.626 0.278 1.00 0.00 C ATOM 0 H ALA A 79 -7.950 -10.099 -2.175 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.247 -11.632 -0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.647 -9.831 1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.760 -9.237 -0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.496 -8.888 0.099 1.00 0.00 H new ATOM 1178 N SER A 80 -8.211 -12.445 1.009 1.00 0.00 N ATOM 1179 CA SER A 80 -9.370 -13.103 1.601 1.00 0.00 C ATOM 1180 C SER A 80 -10.086 -12.171 2.573 1.00 0.00 C ATOM 1181 O SER A 80 -11.309 -12.043 2.541 1.00 0.00 O ATOM 1182 CB SER A 80 -8.943 -14.382 2.324 1.00 0.00 C ATOM 1183 OG SER A 80 -8.589 -15.396 1.400 1.00 0.00 O ATOM 0 H SER A 80 -7.314 -12.761 1.377 1.00 0.00 H new ATOM 0 HA SER A 80 -10.060 -13.361 0.798 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.097 -14.169 2.977 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.756 -14.733 2.960 1.00 0.00 H new ATOM 0 HG SER A 80 -8.318 -16.202 1.887 1.00 0.00 H new ATOM 1189 N GLY A 81 -9.313 -11.520 3.437 1.00 0.00 N ATOM 1190 CA GLY A 81 -9.890 -10.607 4.407 1.00 0.00 C ATOM 1191 C GLY A 81 -10.918 -9.680 3.790 1.00 0.00 C ATOM 1192 O GLY A 81 -10.913 -9.426 2.585 1.00 0.00 O ATOM 0 H GLY A 81 -8.298 -11.608 3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.357 -11.180 5.208 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.096 -10.014 4.860 1.00 0.00 H new ATOM 1196 N PRO A 82 -11.827 -9.157 4.627 1.00 0.00 N ATOM 1197 CA PRO A 82 -12.884 -8.245 4.179 1.00 0.00 C ATOM 1198 C PRO A 82 -12.337 -6.883 3.766 1.00 0.00 C ATOM 1199 O PRO A 82 -11.849 -6.121 4.600 1.00 0.00 O ATOM 1200 CB PRO A 82 -13.782 -8.110 5.411 1.00 0.00 C ATOM 1201 CG PRO A 82 -12.886 -8.399 6.566 1.00 0.00 C ATOM 1202 CD PRO A 82 -11.893 -9.416 6.075 1.00 0.00 C ATOM 0 HA PRO A 82 -13.402 -8.623 3.297 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -14.209 -7.110 5.482 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -14.616 -8.811 5.372 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.382 -7.494 6.905 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.453 -8.785 7.413 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -10.920 -9.290 6.550 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.222 -10.433 6.287 1.00 0.00 H new ATOM 1210 N SER A 83 -12.423 -6.583 2.474 1.00 0.00 N ATOM 1211 CA SER A 83 -11.934 -5.313 1.950 1.00 0.00 C ATOM 1212 C SER A 83 -12.962 -4.206 2.161 1.00 0.00 C ATOM 1213 O SER A 83 -14.168 -4.445 2.106 1.00 0.00 O ATOM 1214 CB SER A 83 -11.607 -5.444 0.461 1.00 0.00 C ATOM 1215 OG SER A 83 -12.778 -5.689 -0.299 1.00 0.00 O ATOM 0 H SER A 83 -12.827 -7.202 1.771 1.00 0.00 H new ATOM 0 HA SER A 83 -11.026 -5.050 2.493 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.126 -4.531 0.109 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.896 -6.257 0.312 1.00 0.00 H new ATOM 0 HG SER A 83 -12.542 -5.767 -1.247 1.00 0.00 H new ATOM 1221 N SER A 84 -12.474 -2.993 2.403 1.00 0.00 N ATOM 1222 CA SER A 84 -13.349 -1.849 2.627 1.00 0.00 C ATOM 1223 C SER A 84 -12.608 -0.540 2.373 1.00 0.00 C ATOM 1224 O SER A 84 -11.444 -0.391 2.743 1.00 0.00 O ATOM 1225 CB SER A 84 -13.896 -1.869 4.056 1.00 0.00 C ATOM 1226 OG SER A 84 -15.085 -2.636 4.137 1.00 0.00 O ATOM 0 H SER A 84 -11.478 -2.778 2.449 1.00 0.00 H new ATOM 0 HA SER A 84 -14.181 -1.918 1.926 1.00 0.00 H new ATOM 0 HB2 SER A 84 -13.146 -2.283 4.730 1.00 0.00 H new ATOM 0 HB3 SER A 84 -14.094 -0.850 4.387 1.00 0.00 H new ATOM 0 HG SER A 84 -15.033 -3.387 3.510 1.00 0.00 H new ATOM 1232 N GLY A 85 -13.292 0.407 1.737 1.00 0.00 N ATOM 1233 CA GLY A 85 -12.683 1.691 1.443 1.00 0.00 C ATOM 1234 C GLY A 85 -12.716 2.634 2.630 1.00 0.00 C ATOM 1235 O GLY A 85 -11.884 3.537 2.701 1.00 0.00 O ATOM 0 H GLY A 85 -14.257 0.308 1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.649 1.537 1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.202 2.152 0.602 1.00 0.00 H new TER 1239 GLY A 85 HETATM 1240 ZN ZN A 201 5.270 3.497 3.213 1.00 0.00 ZN HETATM 1241 ZN ZN A 401 -7.575 -0.126 -6.065 1.00 0.00 ZN