USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 945 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 5 GLN : amide:sc= -1.84 K(o=-1.8,f=-0.67) USER MOD Single : A 13 ASN : amide:sc= -0.252 K(o=-0.25,f=-1.3) USER MOD Single : A 15 ASN : amide:sc= -0.753 K(o=-0.75,f=-8!) USER MOD Single : A 16 ASN : amide:sc= -4.04! C(o=-4!,f=-9.5!) USER MOD Single : A 21 THR OG1 : rot -160:sc= -2.75! USER MOD Single : A 31 ASN : amide:sc= -1.16! K(o=-1.2!,f=0.13) USER MOD Single : A 32 LYS NZ :NH3+ 156:sc= -0.0451 (180deg=-0.39) USER MOD Single : A 39 LYS NZ :NH3+ -105:sc= -0.0181 (180deg=-0.58) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -140:sc= -2.44! USER MOD Single : A 48 GLN : amide:sc= -2.31 K(o=-2.3,f=-7.7!) USER MOD Single : A 55 GLN : amide:sc= -0.851 K(o=-0.85,f=-1.6) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -3.95! C(o=-3.9!,f=-6.8!) USER MOD Single : A 64 HIS : no HD1:sc= -0.0547 X(o=-0.055,f=-0.37) USER MOD Single : A 66 SER OG : rot -36:sc= 0.173 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -161:sc= 0.686 USER MOD Single : A 79 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-0.71) USER MOD Single : A 81 THR OG1 : rot 10:sc= -5.21! USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.31) USER MOD Single : A 105 MET CE :methyl 163:sc= -7.3! (180deg=-9.43!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.155 X(o=-0.16,f=-0.57) USER MOD Single : A 119 ASN : amide:sc= -2.15 K(o=-2.2,f=-1.5) USER MOD Single : A 125 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.538) USER MOD Single : A 127 LYS NZ :NH3+ -177:sc=-0.00586 (180deg=-0.0121) USER MOD ----------------------------------------------------------------- ATOM 64 N LEU A 4 12.582 9.563 4.547 1.00 0.00 N ATOM 65 CA LEU A 4 11.442 9.154 3.678 1.00 0.00 C ATOM 66 C LEU A 4 11.732 7.794 3.041 1.00 0.00 C ATOM 67 O LEU A 4 12.705 7.624 2.335 1.00 0.00 O ATOM 68 CB LEU A 4 11.245 10.195 2.575 1.00 0.00 C ATOM 69 CG LEU A 4 12.535 10.328 1.761 1.00 0.00 C ATOM 70 CD1 LEU A 4 12.408 9.525 0.466 1.00 0.00 C ATOM 71 CD2 LEU A 4 12.773 11.804 1.427 1.00 0.00 C ATOM 0 HA LEU A 4 10.539 9.082 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 4 10.421 9.900 1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.977 11.157 3.012 1.00 0.00 H new ATOM 0 HG LEU A 4 13.374 9.945 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 4 13.327 9.620 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 4 12.236 8.475 0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 4 11.570 9.906 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 4 13.691 11.902 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 4 11.934 12.185 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 4 12.864 12.376 2.350 1.00 0.00 H new ATOM 83 N GLN A 5 10.888 6.827 3.278 1.00 0.00 N ATOM 84 CA GLN A 5 11.106 5.480 2.678 1.00 0.00 C ATOM 85 C GLN A 5 10.138 4.472 3.301 1.00 0.00 C ATOM 86 O GLN A 5 10.370 3.959 4.377 1.00 0.00 O ATOM 87 CB GLN A 5 12.547 5.022 2.930 1.00 0.00 C ATOM 88 CG GLN A 5 13.073 5.645 4.224 1.00 0.00 C ATOM 89 CD GLN A 5 13.998 4.653 4.928 1.00 0.00 C ATOM 90 OE1 GLN A 5 15.196 4.674 4.728 1.00 0.00 O ATOM 91 NE2 GLN A 5 13.489 3.776 5.749 1.00 0.00 N ATOM 0 H GLN A 5 10.056 6.912 3.862 1.00 0.00 H new ATOM 0 HA GLN A 5 10.928 5.539 1.604 1.00 0.00 H new ATOM 0 HB2 GLN A 5 12.586 3.935 2.998 1.00 0.00 H new ATOM 0 HB3 GLN A 5 13.182 5.312 2.093 1.00 0.00 H new ATOM 0 HG2 GLN A 5 13.611 6.567 4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 5 12.241 5.910 4.877 1.00 0.00 H new ATOM 0 HE21 GLN A 5 12.483 3.758 5.917 1.00 0.00 H new ATOM 0 HE22 GLN A 5 14.097 3.108 6.223 1.00 0.00 H new ATOM 100 N ILE A 6 9.057 4.178 2.629 1.00 0.00 N ATOM 101 CA ILE A 6 8.082 3.195 3.176 1.00 0.00 C ATOM 102 C ILE A 6 7.921 2.056 2.164 1.00 0.00 C ATOM 103 O ILE A 6 8.344 2.156 1.029 1.00 0.00 O ATOM 104 CB ILE A 6 6.735 3.904 3.443 1.00 0.00 C ATOM 105 CG1 ILE A 6 6.576 4.114 4.949 1.00 0.00 C ATOM 106 CG2 ILE A 6 5.551 3.069 2.932 1.00 0.00 C ATOM 107 CD1 ILE A 6 6.776 5.591 5.286 1.00 0.00 C ATOM 0 H ILE A 6 8.808 4.578 1.724 1.00 0.00 H new ATOM 0 HA ILE A 6 8.437 2.781 4.120 1.00 0.00 H new ATOM 0 HB ILE A 6 6.738 4.857 2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.586 3.789 5.269 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.302 3.506 5.490 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.619 3.596 3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.652 2.913 1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.540 2.104 3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.662 5.738 6.360 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.775 5.902 4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.033 6.189 4.757 1.00 0.00 H new ATOM 119 N ALA A 7 7.313 0.979 2.567 1.00 0.00 N ATOM 120 CA ALA A 7 7.124 -0.159 1.631 1.00 0.00 C ATOM 121 C ALA A 7 5.688 -0.660 1.737 1.00 0.00 C ATOM 122 O ALA A 7 5.406 -1.627 2.416 1.00 0.00 O ATOM 123 CB ALA A 7 8.089 -1.290 1.989 1.00 0.00 C ATOM 0 H ALA A 7 6.938 0.837 3.505 1.00 0.00 H new ATOM 0 HA ALA A 7 7.324 0.171 0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.946 -2.122 1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.115 -0.930 1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.894 -1.625 3.008 1.00 0.00 H new ATOM 129 N VAL A 8 4.777 -0.012 1.069 1.00 0.00 N ATOM 130 CA VAL A 8 3.355 -0.460 1.134 1.00 0.00 C ATOM 131 C VAL A 8 3.115 -1.493 0.035 1.00 0.00 C ATOM 132 O VAL A 8 3.600 -1.363 -1.069 1.00 0.00 O ATOM 133 CB VAL A 8 2.417 0.740 0.948 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.630 1.361 -0.424 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.965 0.278 1.057 1.00 0.00 C ATOM 0 H VAL A 8 4.951 0.804 0.483 1.00 0.00 H new ATOM 0 HA VAL A 8 3.152 -0.907 2.107 1.00 0.00 H new ATOM 0 HB VAL A 8 2.634 1.477 1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.960 2.212 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.663 1.697 -0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.420 0.620 -1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.301 1.132 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.760 -0.464 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.797 -0.164 2.039 1.00 0.00 H new ATOM 145 N GLY A 9 2.382 -2.526 0.333 1.00 0.00 N ATOM 146 CA GLY A 9 2.123 -3.570 -0.695 1.00 0.00 C ATOM 147 C GLY A 9 0.627 -3.860 -0.757 1.00 0.00 C ATOM 148 O GLY A 9 0.033 -4.319 0.200 1.00 0.00 O ATOM 0 H GLY A 9 1.951 -2.693 1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.480 -3.234 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.671 -4.480 -0.451 1.00 0.00 H new ATOM 152 N ILE A 10 0.011 -3.602 -1.873 1.00 0.00 N ATOM 153 CA ILE A 10 -1.441 -3.866 -1.992 1.00 0.00 C ATOM 154 C ILE A 10 -1.639 -5.185 -2.732 1.00 0.00 C ATOM 155 O ILE A 10 -0.705 -5.749 -3.267 1.00 0.00 O ATOM 156 CB ILE A 10 -2.113 -2.739 -2.772 1.00 0.00 C ATOM 157 CG1 ILE A 10 -1.286 -1.448 -2.672 1.00 0.00 C ATOM 158 CG2 ILE A 10 -3.494 -2.492 -2.185 1.00 0.00 C ATOM 159 CD1 ILE A 10 -1.870 -0.406 -3.621 1.00 0.00 C ATOM 0 H ILE A 10 0.454 -3.219 -2.708 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.886 -3.922 -0.999 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.190 -3.027 -3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.297 -1.073 -1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.245 -1.647 -2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.984 -1.688 -2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.090 -3.401 -2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.398 -2.209 -1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.288 0.513 -3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.836 -0.785 -4.643 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.904 -0.201 -3.344 1.00 0.00 H new ATOM 171 N ILE A 11 -2.837 -5.693 -2.766 1.00 0.00 N ATOM 172 CA ILE A 11 -3.060 -6.981 -3.470 1.00 0.00 C ATOM 173 C ILE A 11 -4.458 -7.017 -4.090 1.00 0.00 C ATOM 174 O ILE A 11 -5.379 -6.369 -3.638 1.00 0.00 O ATOM 175 CB ILE A 11 -2.941 -8.162 -2.497 1.00 0.00 C ATOM 176 CG1 ILE A 11 -2.368 -7.716 -1.135 1.00 0.00 C ATOM 177 CG2 ILE A 11 -2.065 -9.261 -3.119 1.00 0.00 C ATOM 178 CD1 ILE A 11 -0.838 -7.858 -1.080 1.00 0.00 C ATOM 0 H ILE A 11 -3.665 -5.275 -2.340 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.301 -7.063 -4.248 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.940 -8.559 -2.316 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.643 -6.678 -0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.816 -8.312 -0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.983 -10.097 -2.425 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.518 -9.604 -4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.072 -8.862 -3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.477 -7.533 -0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.563 -8.901 -1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.387 -7.241 -1.857 1.00 0.00 H new ATOM 190 N ARG A 12 -4.608 -7.800 -5.116 1.00 0.00 N ATOM 191 CA ARG A 12 -5.928 -7.948 -5.798 1.00 0.00 C ATOM 192 C ARG A 12 -5.897 -9.239 -6.622 1.00 0.00 C ATOM 193 O ARG A 12 -5.088 -9.389 -7.515 1.00 0.00 O ATOM 194 CB ARG A 12 -6.177 -6.754 -6.717 1.00 0.00 C ATOM 195 CG ARG A 12 -7.666 -6.403 -6.698 1.00 0.00 C ATOM 196 CD ARG A 12 -8.091 -5.937 -8.088 1.00 0.00 C ATOM 197 NE ARG A 12 -7.791 -7.011 -9.078 1.00 0.00 N ATOM 198 CZ ARG A 12 -8.311 -6.966 -10.273 1.00 0.00 C ATOM 199 NH1 ARG A 12 -7.756 -6.233 -11.199 1.00 0.00 N ATOM 200 NH2 ARG A 12 -9.385 -7.657 -10.544 1.00 0.00 N ATOM 0 H ARG A 12 -3.857 -8.358 -5.523 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.729 -7.989 -5.060 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.586 -5.899 -6.389 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.860 -6.990 -7.733 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.252 -7.271 -6.398 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.858 -5.620 -5.965 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.156 -5.705 -8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.563 -5.022 -8.355 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.177 -7.783 -8.820 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.915 -5.695 -10.988 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.163 -6.198 -12.134 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.817 -8.232 -9.821 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.792 -7.622 -11.479 1.00 0.00 H new ATOM 214 N ASN A 13 -6.742 -10.187 -6.317 1.00 0.00 N ATOM 215 CA ASN A 13 -6.714 -11.475 -7.076 1.00 0.00 C ATOM 216 C ASN A 13 -7.894 -11.562 -8.042 1.00 0.00 C ATOM 217 O ASN A 13 -8.417 -10.565 -8.501 1.00 0.00 O ATOM 218 CB ASN A 13 -6.790 -12.646 -6.094 1.00 0.00 C ATOM 219 CG ASN A 13 -5.698 -13.667 -6.424 1.00 0.00 C ATOM 220 OD1 ASN A 13 -5.362 -13.865 -7.574 1.00 0.00 O ATOM 221 ND2 ASN A 13 -5.128 -14.328 -5.454 1.00 0.00 N ATOM 0 H ASN A 13 -7.446 -10.128 -5.581 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.786 -11.518 -7.646 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.668 -12.285 -5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.771 -13.117 -6.150 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.400 -15.011 -5.662 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.411 -14.161 -4.488 1.00 0.00 H new ATOM 228 N GLU A 14 -8.308 -12.761 -8.354 1.00 0.00 N ATOM 229 CA GLU A 14 -9.449 -12.941 -9.293 1.00 0.00 C ATOM 230 C GLU A 14 -10.765 -12.738 -8.543 1.00 0.00 C ATOM 231 O GLU A 14 -11.829 -12.722 -9.130 1.00 0.00 O ATOM 232 CB GLU A 14 -9.404 -14.349 -9.892 1.00 0.00 C ATOM 233 CG GLU A 14 -8.119 -14.513 -10.706 1.00 0.00 C ATOM 234 CD GLU A 14 -7.352 -15.741 -10.212 1.00 0.00 C ATOM 235 OE1 GLU A 14 -7.036 -15.784 -9.035 1.00 0.00 O ATOM 236 OE2 GLU A 14 -7.095 -16.618 -11.020 1.00 0.00 O ATOM 0 H GLU A 14 -7.902 -13.626 -7.997 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.377 -12.208 -10.097 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.443 -15.095 -9.099 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.274 -14.514 -10.528 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.358 -14.622 -11.764 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.499 -13.622 -10.610 1.00 0.00 H new ATOM 243 N ASN A 15 -10.702 -12.562 -7.251 1.00 0.00 N ATOM 244 CA ASN A 15 -11.934 -12.339 -6.467 1.00 0.00 C ATOM 245 C ASN A 15 -12.361 -10.876 -6.617 1.00 0.00 C ATOM 246 O ASN A 15 -13.297 -10.421 -5.989 1.00 0.00 O ATOM 247 CB ASN A 15 -11.639 -12.640 -5.002 1.00 0.00 C ATOM 248 CG ASN A 15 -10.318 -11.986 -4.596 1.00 0.00 C ATOM 249 OD1 ASN A 15 -9.825 -11.109 -5.278 1.00 0.00 O ATOM 250 ND2 ASN A 15 -9.719 -12.377 -3.505 1.00 0.00 N ATOM 0 H ASN A 15 -9.839 -12.564 -6.707 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.734 -12.988 -6.822 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.448 -12.267 -4.374 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.585 -13.717 -4.846 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.838 -11.947 -3.225 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -10.132 -13.113 -2.932 1.00 0.00 H new ATOM 257 N ASN A 16 -11.679 -10.140 -7.454 1.00 0.00 N ATOM 258 CA ASN A 16 -12.033 -8.720 -7.665 1.00 0.00 C ATOM 259 C ASN A 16 -12.091 -8.006 -6.313 1.00 0.00 C ATOM 260 O ASN A 16 -12.975 -7.218 -6.046 1.00 0.00 O ATOM 261 CB ASN A 16 -13.385 -8.667 -8.362 1.00 0.00 C ATOM 262 CG ASN A 16 -13.730 -7.227 -8.746 1.00 0.00 C ATOM 263 OD1 ASN A 16 -14.112 -6.434 -7.910 1.00 0.00 O ATOM 264 ND2 ASN A 16 -13.616 -6.858 -9.994 1.00 0.00 N ATOM 0 H ASN A 16 -10.885 -10.472 -8.002 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.286 -8.221 -8.283 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -13.367 -9.294 -9.254 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -14.156 -9.070 -7.705 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -13.848 -5.903 -10.267 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -13.295 -7.525 -10.696 1.00 0.00 H new ATOM 271 N GLU A 17 -11.140 -8.276 -5.461 1.00 0.00 N ATOM 272 CA GLU A 17 -11.113 -7.618 -4.125 1.00 0.00 C ATOM 273 C GLU A 17 -9.685 -7.147 -3.840 1.00 0.00 C ATOM 274 O GLU A 17 -8.727 -7.734 -4.302 1.00 0.00 O ATOM 275 CB GLU A 17 -11.545 -8.618 -3.052 1.00 0.00 C ATOM 276 CG GLU A 17 -12.905 -9.211 -3.428 1.00 0.00 C ATOM 277 CD GLU A 17 -13.824 -9.198 -2.205 1.00 0.00 C ATOM 278 OE1 GLU A 17 -13.763 -10.139 -1.432 1.00 0.00 O ATOM 279 OE2 GLU A 17 -14.574 -8.245 -2.065 1.00 0.00 O ATOM 0 H GLU A 17 -10.376 -8.929 -5.635 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.795 -6.768 -4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.803 -9.411 -2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.607 -8.124 -2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.353 -8.636 -4.238 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.781 -10.231 -3.792 1.00 0.00 H new ATOM 286 N ILE A 18 -9.529 -6.092 -3.090 1.00 0.00 N ATOM 287 CA ILE A 18 -8.156 -5.597 -2.792 1.00 0.00 C ATOM 288 C ILE A 18 -7.836 -5.840 -1.317 1.00 0.00 C ATOM 289 O ILE A 18 -8.717 -5.925 -0.486 1.00 0.00 O ATOM 290 CB ILE A 18 -8.060 -4.095 -3.083 1.00 0.00 C ATOM 291 CG1 ILE A 18 -9.134 -3.684 -4.093 1.00 0.00 C ATOM 292 CG2 ILE A 18 -6.681 -3.776 -3.658 1.00 0.00 C ATOM 293 CD1 ILE A 18 -9.224 -2.159 -4.142 1.00 0.00 C ATOM 0 H ILE A 18 -10.288 -5.554 -2.672 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.445 -6.132 -3.421 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.212 -3.544 -2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.891 -4.077 -5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -10.097 -4.108 -3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.611 -2.708 -3.865 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.913 -4.057 -2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.534 -4.335 -4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.988 -1.863 -4.861 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.487 -1.778 -3.155 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.261 -1.747 -4.445 1.00 0.00 H new ATOM 305 N PHE A 19 -6.581 -5.945 -0.982 1.00 0.00 N ATOM 306 CA PHE A 19 -6.203 -6.175 0.441 1.00 0.00 C ATOM 307 C PHE A 19 -5.691 -4.864 1.047 1.00 0.00 C ATOM 308 O PHE A 19 -4.513 -4.702 1.300 1.00 0.00 O ATOM 309 CB PHE A 19 -5.103 -7.235 0.501 1.00 0.00 C ATOM 310 CG PHE A 19 -4.627 -7.405 1.924 1.00 0.00 C ATOM 311 CD1 PHE A 19 -5.521 -7.808 2.922 1.00 0.00 C ATOM 312 CD2 PHE A 19 -3.287 -7.158 2.243 1.00 0.00 C ATOM 313 CE1 PHE A 19 -5.077 -7.962 4.241 1.00 0.00 C ATOM 314 CE2 PHE A 19 -2.842 -7.313 3.560 1.00 0.00 C ATOM 315 CZ PHE A 19 -3.734 -7.714 4.559 1.00 0.00 C ATOM 0 H PHE A 19 -5.798 -5.881 -1.633 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.070 -6.518 1.005 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.480 -8.184 0.119 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.269 -6.943 -0.138 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.555 -8.000 2.675 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.597 -6.848 1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.767 -8.271 5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.808 -7.123 3.806 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.389 -7.833 5.575 1.00 0.00 H new ATOM 325 N ILE A 20 -6.569 -3.925 1.280 1.00 0.00 N ATOM 326 CA ILE A 20 -6.143 -2.623 1.866 1.00 0.00 C ATOM 327 C ILE A 20 -5.997 -2.767 3.375 1.00 0.00 C ATOM 328 O ILE A 20 -6.185 -3.829 3.928 1.00 0.00 O ATOM 329 CB ILE A 20 -7.210 -1.567 1.576 1.00 0.00 C ATOM 330 CG1 ILE A 20 -7.840 -1.834 0.212 1.00 0.00 C ATOM 331 CG2 ILE A 20 -6.563 -0.186 1.574 1.00 0.00 C ATOM 332 CD1 ILE A 20 -6.735 -2.071 -0.810 1.00 0.00 C ATOM 0 H ILE A 20 -7.568 -4.005 1.088 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.190 -2.325 1.428 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.982 -1.610 2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.496 -2.703 0.265 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.456 -0.987 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.320 0.570 1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.114 0.007 2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.792 -0.147 0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.178 -2.263 -1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.097 -1.189 -0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.138 -2.931 -0.507 1.00 0.00 H new ATOM 344 N THR A 21 -5.672 -1.702 4.053 1.00 0.00 N ATOM 345 CA THR A 21 -5.538 -1.792 5.528 1.00 0.00 C ATOM 346 C THR A 21 -5.753 -0.410 6.135 1.00 0.00 C ATOM 347 O THR A 21 -5.389 0.596 5.560 1.00 0.00 O ATOM 348 CB THR A 21 -4.149 -2.298 5.890 1.00 0.00 C ATOM 349 OG1 THR A 21 -3.468 -2.692 4.707 1.00 0.00 O ATOM 350 CG2 THR A 21 -4.264 -3.491 6.838 1.00 0.00 C ATOM 0 H THR A 21 -5.495 -0.781 3.651 1.00 0.00 H new ATOM 0 HA THR A 21 -6.282 -2.485 5.919 1.00 0.00 H new ATOM 0 HB THR A 21 -3.591 -1.502 6.384 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.732 -3.295 4.939 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.267 -3.850 7.094 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.784 -3.185 7.746 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.823 -4.290 6.351 1.00 0.00 H new ATOM 358 N ARG A 22 -6.365 -0.349 7.282 1.00 0.00 N ATOM 359 CA ARG A 22 -6.624 0.964 7.908 1.00 0.00 C ATOM 360 C ARG A 22 -6.797 0.798 9.420 1.00 0.00 C ATOM 361 O ARG A 22 -7.620 0.031 9.879 1.00 0.00 O ATOM 362 CB ARG A 22 -7.908 1.521 7.311 1.00 0.00 C ATOM 363 CG ARG A 22 -7.606 2.822 6.576 1.00 0.00 C ATOM 364 CD ARG A 22 -8.504 3.935 7.116 1.00 0.00 C ATOM 365 NE ARG A 22 -8.132 4.229 8.527 1.00 0.00 N ATOM 366 CZ ARG A 22 -8.541 5.329 9.094 1.00 0.00 C ATOM 367 NH1 ARG A 22 -9.514 6.015 8.560 1.00 0.00 N ATOM 368 NH2 ARG A 22 -7.978 5.745 10.196 1.00 0.00 N ATOM 0 H ARG A 22 -6.696 -1.156 7.810 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.788 1.639 7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.346 0.797 6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.641 1.698 8.098 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.558 3.091 6.707 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.771 2.694 5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.397 4.832 6.506 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.550 3.633 7.059 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.557 3.569 9.050 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.954 5.690 7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.834 6.876 9.003 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.217 5.209 10.614 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.299 6.606 10.639 1.00 0.00 H new ATOM 492 N ASN A 31 -15.111 1.739 6.002 1.00 0.00 N ATOM 493 CA ASN A 31 -14.126 2.712 6.558 1.00 0.00 C ATOM 494 C ASN A 31 -13.356 3.364 5.414 1.00 0.00 C ATOM 495 O ASN A 31 -13.661 3.171 4.254 1.00 0.00 O ATOM 496 CB ASN A 31 -13.129 1.979 7.454 1.00 0.00 C ATOM 497 CG ASN A 31 -13.880 1.159 8.503 1.00 0.00 C ATOM 498 OD1 ASN A 31 -15.063 0.913 8.369 1.00 0.00 O ATOM 499 ND2 ASN A 31 -13.238 0.721 9.552 1.00 0.00 N ATOM 0 HA ASN A 31 -14.660 3.468 7.134 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.498 1.325 6.852 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.470 2.696 7.943 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.729 0.173 10.258 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.245 0.927 9.665 1.00 0.00 H new ATOM 506 N LYS A 32 -12.344 4.119 5.732 1.00 0.00 N ATOM 507 CA LYS A 32 -11.539 4.764 4.665 1.00 0.00 C ATOM 508 C LYS A 32 -10.371 3.848 4.310 1.00 0.00 C ATOM 509 O LYS A 32 -10.124 2.859 4.973 1.00 0.00 O ATOM 510 CB LYS A 32 -11.014 6.114 5.151 1.00 0.00 C ATOM 511 CG LYS A 32 -11.890 7.227 4.575 1.00 0.00 C ATOM 512 CD LYS A 32 -11.381 8.584 5.060 1.00 0.00 C ATOM 513 CE LYS A 32 -12.492 9.624 4.913 1.00 0.00 C ATOM 514 NZ LYS A 32 -13.533 9.392 5.955 1.00 0.00 N ATOM 0 H LYS A 32 -12.041 4.316 6.686 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.159 4.930 3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.025 6.152 6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.979 6.250 4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.874 7.189 3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.926 7.085 4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.067 8.516 6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.507 8.885 4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.080 10.628 5.013 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.936 9.559 3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.049 10.277 6.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.198 8.664 5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.079 9.073 6.835 1.00 0.00 H new ATOM 528 N LEU A 33 -9.665 4.149 3.263 1.00 0.00 N ATOM 529 CA LEU A 33 -8.540 3.289 2.853 1.00 0.00 C ATOM 530 C LEU A 33 -7.229 3.965 3.205 1.00 0.00 C ATOM 531 O LEU A 33 -7.197 5.086 3.672 1.00 0.00 O ATOM 532 CB LEU A 33 -8.590 3.118 1.351 1.00 0.00 C ATOM 533 CG LEU A 33 -9.792 2.268 0.960 1.00 0.00 C ATOM 534 CD1 LEU A 33 -9.659 0.886 1.594 1.00 0.00 C ATOM 535 CD2 LEU A 33 -11.081 2.934 1.440 1.00 0.00 C ATOM 0 H LEU A 33 -9.825 4.964 2.670 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.612 2.327 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.652 4.093 0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.672 2.647 1.000 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.828 2.171 -0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.517 0.274 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.745 0.410 1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.620 0.986 2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.935 2.320 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.054 3.039 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.174 3.919 0.982 1.00 0.00 H new ATOM 547 N GLU A 34 -6.144 3.300 2.966 1.00 0.00 N ATOM 548 CA GLU A 34 -4.835 3.923 3.267 1.00 0.00 C ATOM 549 C GLU A 34 -3.718 3.216 2.508 1.00 0.00 C ATOM 550 O GLU A 34 -3.935 2.514 1.542 1.00 0.00 O ATOM 551 CB GLU A 34 -4.552 3.832 4.763 1.00 0.00 C ATOM 552 CG GLU A 34 -3.929 5.142 5.251 1.00 0.00 C ATOM 553 CD GLU A 34 -4.255 5.342 6.732 1.00 0.00 C ATOM 554 OE1 GLU A 34 -5.251 4.796 7.179 1.00 0.00 O ATOM 555 OE2 GLU A 34 -3.504 6.038 7.395 1.00 0.00 O ATOM 0 H GLU A 34 -6.105 2.358 2.578 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.873 4.968 2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.476 3.633 5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.878 3.000 4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.849 5.120 5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.312 5.979 4.667 1.00 0.00 H new ATOM 562 N PHE A 35 -2.521 3.402 2.966 1.00 0.00 N ATOM 563 CA PHE A 35 -1.344 2.760 2.322 1.00 0.00 C ATOM 564 C PHE A 35 -0.335 2.388 3.411 1.00 0.00 C ATOM 565 O PHE A 35 0.580 3.138 3.690 1.00 0.00 O ATOM 566 CB PHE A 35 -0.696 3.732 1.337 1.00 0.00 C ATOM 567 CG PHE A 35 -1.459 3.710 0.038 1.00 0.00 C ATOM 568 CD1 PHE A 35 -2.696 4.352 -0.050 1.00 0.00 C ATOM 569 CD2 PHE A 35 -0.930 3.053 -1.079 1.00 0.00 C ATOM 570 CE1 PHE A 35 -3.407 4.339 -1.254 1.00 0.00 C ATOM 571 CE2 PHE A 35 -1.641 3.038 -2.284 1.00 0.00 C ATOM 572 CZ PHE A 35 -2.881 3.682 -2.372 1.00 0.00 C ATOM 0 H PHE A 35 -2.300 3.982 3.775 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.660 1.868 1.781 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.692 4.740 1.752 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.344 3.454 1.166 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.104 4.859 0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.027 2.558 -1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.363 4.837 -1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.234 2.530 -3.146 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.431 3.672 -3.301 1.00 0.00 H new ATOM 582 N PRO A 36 -0.545 1.241 3.998 1.00 0.00 N ATOM 583 CA PRO A 36 0.323 0.735 5.077 1.00 0.00 C ATOM 584 C PRO A 36 1.758 0.578 4.571 1.00 0.00 C ATOM 585 O PRO A 36 2.194 1.292 3.695 1.00 0.00 O ATOM 586 CB PRO A 36 -0.280 -0.627 5.450 1.00 0.00 C ATOM 587 CG PRO A 36 -1.513 -0.863 4.545 1.00 0.00 C ATOM 588 CD PRO A 36 -1.661 0.354 3.627 1.00 0.00 C ATOM 0 HA PRO A 36 0.368 1.409 5.932 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.454 -1.421 5.310 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.569 -0.642 6.501 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.386 -1.772 3.957 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.410 -0.997 5.149 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.606 0.067 2.577 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.623 0.846 3.773 1.00 0.00 H new ATOM 596 N GLY A 37 2.496 -0.348 5.117 1.00 0.00 N ATOM 597 CA GLY A 37 3.899 -0.541 4.657 1.00 0.00 C ATOM 598 C GLY A 37 4.745 -1.088 5.805 1.00 0.00 C ATOM 599 O GLY A 37 4.234 -1.493 6.831 1.00 0.00 O ATOM 0 H GLY A 37 2.190 -0.977 5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.924 -1.231 3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.311 0.406 4.307 1.00 0.00 H new ATOM 603 N GLY A 38 6.038 -1.101 5.640 1.00 0.00 N ATOM 604 CA GLY A 38 6.926 -1.618 6.720 1.00 0.00 C ATOM 605 C GLY A 38 8.246 -0.848 6.697 1.00 0.00 C ATOM 606 O GLY A 38 9.239 -1.278 7.248 1.00 0.00 O ATOM 0 H GLY A 38 6.520 -0.775 4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.442 -1.505 7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.110 -2.683 6.577 1.00 0.00 H new ATOM 610 N LYS A 39 8.261 0.292 6.065 1.00 0.00 N ATOM 611 CA LYS A 39 9.510 1.097 6.007 1.00 0.00 C ATOM 612 C LYS A 39 10.543 0.393 5.127 1.00 0.00 C ATOM 613 O LYS A 39 10.584 -0.818 5.046 1.00 0.00 O ATOM 614 CB LYS A 39 10.070 1.262 7.419 1.00 0.00 C ATOM 615 CG LYS A 39 10.358 2.738 7.680 1.00 0.00 C ATOM 616 CD LYS A 39 9.046 3.521 7.686 1.00 0.00 C ATOM 617 CE LYS A 39 8.457 3.516 9.098 1.00 0.00 C ATOM 618 NZ LYS A 39 7.382 2.489 9.183 1.00 0.00 N ATOM 0 H LYS A 39 7.459 0.701 5.585 1.00 0.00 H new ATOM 0 HA LYS A 39 9.288 2.076 5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.357 0.884 8.152 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.983 0.677 7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.868 2.856 8.636 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.024 3.131 6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.220 4.545 7.356 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.341 3.076 6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.237 3.303 9.828 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.055 4.500 9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.453 2.957 9.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.448 1.849 8.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.493 1.942 10.061 1.00 0.00 H new ATOM 632 N ILE A 40 11.382 1.148 4.474 1.00 0.00 N ATOM 633 CA ILE A 40 12.422 0.536 3.605 1.00 0.00 C ATOM 634 C ILE A 40 13.727 0.433 4.406 1.00 0.00 C ATOM 635 O ILE A 40 14.148 1.376 5.045 1.00 0.00 O ATOM 636 CB ILE A 40 12.594 1.409 2.340 1.00 0.00 C ATOM 637 CG1 ILE A 40 12.330 0.551 1.102 1.00 0.00 C ATOM 638 CG2 ILE A 40 14.006 2.006 2.250 1.00 0.00 C ATOM 639 CD1 ILE A 40 11.443 1.324 0.123 1.00 0.00 C ATOM 0 H ILE A 40 11.391 2.167 4.506 1.00 0.00 H new ATOM 0 HA ILE A 40 12.133 -0.466 3.287 1.00 0.00 H new ATOM 0 HB ILE A 40 11.883 2.233 2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.272 0.285 0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.845 -0.382 1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 40 14.088 2.613 1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 40 14.194 2.629 3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.740 1.201 2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.255 0.712 -0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.496 1.567 0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.945 2.244 -0.174 1.00 0.00 H new ATOM 651 N GLU A 41 14.361 -0.708 4.391 1.00 0.00 N ATOM 652 CA GLU A 41 15.625 -0.860 5.165 1.00 0.00 C ATOM 653 C GLU A 41 16.682 -1.567 4.311 1.00 0.00 C ATOM 654 O GLU A 41 16.723 -1.414 3.106 1.00 0.00 O ATOM 655 CB GLU A 41 15.352 -1.686 6.425 1.00 0.00 C ATOM 656 CG GLU A 41 13.929 -1.416 6.921 1.00 0.00 C ATOM 657 CD GLU A 41 13.839 -1.739 8.413 1.00 0.00 C ATOM 658 OE1 GLU A 41 14.544 -2.633 8.849 1.00 0.00 O ATOM 659 OE2 GLU A 41 13.066 -1.085 9.095 1.00 0.00 O ATOM 0 H GLU A 41 14.060 -1.537 3.879 1.00 0.00 H new ATOM 0 HA GLU A 41 15.995 0.127 5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.477 -2.747 6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.073 -1.431 7.202 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.664 -0.373 6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.217 -2.023 6.363 1.00 0.00 H new ATOM 666 N MET A 42 17.540 -2.332 4.933 1.00 0.00 N ATOM 667 CA MET A 42 18.606 -3.053 4.176 1.00 0.00 C ATOM 668 C MET A 42 18.045 -3.589 2.858 1.00 0.00 C ATOM 669 O MET A 42 16.848 -3.701 2.678 1.00 0.00 O ATOM 670 CB MET A 42 19.118 -4.220 5.021 1.00 0.00 C ATOM 671 CG MET A 42 17.929 -4.984 5.609 1.00 0.00 C ATOM 672 SD MET A 42 18.435 -5.799 7.143 1.00 0.00 S ATOM 673 CE MET A 42 18.632 -7.462 6.457 1.00 0.00 C ATOM 0 H MET A 42 17.548 -2.489 5.941 1.00 0.00 H new ATOM 0 HA MET A 42 19.422 -2.363 3.960 1.00 0.00 H new ATOM 0 HB2 MET A 42 19.726 -4.887 4.409 1.00 0.00 H new ATOM 0 HB3 MET A 42 19.758 -3.850 5.822 1.00 0.00 H new ATOM 0 HG2 MET A 42 17.103 -4.299 5.804 1.00 0.00 H new ATOM 0 HG3 MET A 42 17.568 -5.723 4.894 1.00 0.00 H new ATOM 0 HE1 MET A 42 18.947 -8.146 7.245 1.00 0.00 H new ATOM 0 HE2 MET A 42 17.682 -7.799 6.042 1.00 0.00 H new ATOM 0 HE3 MET A 42 19.385 -7.444 5.670 1.00 0.00 H new ATOM 683 N GLY A 43 18.905 -3.924 1.934 1.00 0.00 N ATOM 684 CA GLY A 43 18.429 -4.454 0.625 1.00 0.00 C ATOM 685 C GLY A 43 19.352 -3.963 -0.493 1.00 0.00 C ATOM 686 O GLY A 43 20.496 -3.621 -0.264 1.00 0.00 O ATOM 0 H GLY A 43 19.918 -3.853 2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 43 18.414 -5.544 0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 43 17.407 -4.125 0.438 1.00 0.00 H new ATOM 690 N GLU A 44 18.865 -3.929 -1.704 1.00 0.00 N ATOM 691 CA GLU A 44 19.712 -3.463 -2.838 1.00 0.00 C ATOM 692 C GLU A 44 18.998 -2.326 -3.573 1.00 0.00 C ATOM 693 O GLU A 44 19.619 -1.403 -4.063 1.00 0.00 O ATOM 694 CB GLU A 44 19.945 -4.626 -3.806 1.00 0.00 C ATOM 695 CG GLU A 44 20.074 -5.929 -3.015 1.00 0.00 C ATOM 696 CD GLU A 44 20.989 -6.895 -3.768 1.00 0.00 C ATOM 697 OE1 GLU A 44 21.596 -6.472 -4.738 1.00 0.00 O ATOM 698 OE2 GLU A 44 21.070 -8.042 -3.360 1.00 0.00 O ATOM 0 H GLU A 44 17.916 -4.204 -1.957 1.00 0.00 H new ATOM 0 HA GLU A 44 20.669 -3.106 -2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 44 19.118 -4.697 -4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.849 -4.452 -4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 44 20.479 -5.726 -2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 44 19.091 -6.379 -2.872 1.00 0.00 H new ATOM 705 N THR A 45 17.698 -2.387 -3.654 1.00 0.00 N ATOM 706 CA THR A 45 16.938 -1.318 -4.355 1.00 0.00 C ATOM 707 C THR A 45 15.470 -1.370 -3.882 1.00 0.00 C ATOM 708 O THR A 45 15.094 -2.274 -3.165 1.00 0.00 O ATOM 709 CB THR A 45 17.087 -1.531 -5.881 1.00 0.00 C ATOM 710 OG1 THR A 45 17.391 -0.291 -6.509 1.00 0.00 O ATOM 711 CG2 THR A 45 15.811 -2.116 -6.495 1.00 0.00 C ATOM 0 H THR A 45 17.127 -3.136 -3.262 1.00 0.00 H new ATOM 0 HA THR A 45 17.322 -0.325 -4.123 1.00 0.00 H new ATOM 0 HB THR A 45 17.897 -2.242 -6.044 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.901 -0.224 -7.355 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.952 -2.252 -7.567 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.593 -3.079 -6.033 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.978 -1.434 -6.322 1.00 0.00 H new ATOM 719 N PRO A 46 14.692 -0.389 -4.269 1.00 0.00 N ATOM 720 CA PRO A 46 13.268 -0.292 -3.863 1.00 0.00 C ATOM 721 C PRO A 46 12.434 -1.515 -4.296 1.00 0.00 C ATOM 722 O PRO A 46 11.258 -1.596 -4.001 1.00 0.00 O ATOM 723 CB PRO A 46 12.751 0.977 -4.552 1.00 0.00 C ATOM 724 CG PRO A 46 13.934 1.611 -5.325 1.00 0.00 C ATOM 725 CD PRO A 46 15.162 0.707 -5.134 1.00 0.00 C ATOM 0 HA PRO A 46 13.179 -0.259 -2.777 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.935 0.736 -5.233 1.00 0.00 H new ATOM 0 HB3 PRO A 46 12.356 1.677 -3.816 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.691 1.706 -6.383 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.138 2.615 -4.954 1.00 0.00 H new ATOM 0 HD2 PRO A 46 15.527 0.329 -6.089 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.985 1.251 -4.671 1.00 0.00 H new ATOM 733 N GLU A 47 13.011 -2.463 -4.982 1.00 0.00 N ATOM 734 CA GLU A 47 12.226 -3.656 -5.407 1.00 0.00 C ATOM 735 C GLU A 47 12.565 -4.829 -4.489 1.00 0.00 C ATOM 736 O GLU A 47 11.702 -5.438 -3.890 1.00 0.00 O ATOM 737 CB GLU A 47 12.596 -4.014 -6.847 1.00 0.00 C ATOM 738 CG GLU A 47 11.400 -3.753 -7.766 1.00 0.00 C ATOM 739 CD GLU A 47 11.834 -2.863 -8.931 1.00 0.00 C ATOM 740 OE1 GLU A 47 12.308 -1.768 -8.670 1.00 0.00 O ATOM 741 OE2 GLU A 47 11.688 -3.290 -10.065 1.00 0.00 O ATOM 0 H GLU A 47 13.991 -2.463 -5.266 1.00 0.00 H new ATOM 0 HA GLU A 47 11.159 -3.439 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.452 -3.422 -7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.892 -5.061 -6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.005 -4.696 -8.143 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.597 -3.272 -7.207 1.00 0.00 H new ATOM 748 N GLN A 48 13.823 -5.140 -4.369 1.00 0.00 N ATOM 749 CA GLN A 48 14.252 -6.246 -3.495 1.00 0.00 C ATOM 750 C GLN A 48 13.900 -5.901 -2.068 1.00 0.00 C ATOM 751 O GLN A 48 13.368 -6.686 -1.323 1.00 0.00 O ATOM 752 CB GLN A 48 15.764 -6.393 -3.616 1.00 0.00 C ATOM 753 CG GLN A 48 16.080 -7.844 -3.889 1.00 0.00 C ATOM 754 CD GLN A 48 17.581 -8.016 -4.133 1.00 0.00 C ATOM 755 OE1 GLN A 48 18.218 -7.156 -4.708 1.00 0.00 O ATOM 756 NE2 GLN A 48 18.176 -9.100 -3.717 1.00 0.00 N ATOM 0 H GLN A 48 14.582 -4.660 -4.853 1.00 0.00 H new ATOM 0 HA GLN A 48 13.760 -7.175 -3.782 1.00 0.00 H new ATOM 0 HB2 GLN A 48 16.143 -5.764 -4.421 1.00 0.00 H new ATOM 0 HB3 GLN A 48 16.252 -6.064 -2.698 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.768 -8.458 -3.044 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.520 -8.189 -4.758 1.00 0.00 H new ATOM 0 HE21 GLN A 48 17.641 -9.822 -3.234 1.00 0.00 H new ATOM 0 HE22 GLN A 48 19.176 -9.225 -3.875 1.00 0.00 H new ATOM 765 N ALA A 49 14.216 -4.720 -1.696 1.00 0.00 N ATOM 766 CA ALA A 49 13.928 -4.263 -0.314 1.00 0.00 C ATOM 767 C ALA A 49 12.499 -4.663 0.086 1.00 0.00 C ATOM 768 O ALA A 49 12.271 -5.222 1.141 1.00 0.00 O ATOM 769 CB ALA A 49 14.073 -2.742 -0.242 1.00 0.00 C ATOM 0 H ALA A 49 14.671 -4.028 -2.292 1.00 0.00 H new ATOM 0 HA ALA A 49 14.633 -4.732 0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.862 -2.404 0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.090 -2.460 -0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 49 13.370 -2.276 -0.933 1.00 0.00 H new ATOM 775 N VAL A 50 11.537 -4.369 -0.750 1.00 0.00 N ATOM 776 CA VAL A 50 10.115 -4.710 -0.436 1.00 0.00 C ATOM 777 C VAL A 50 9.853 -6.183 -0.736 1.00 0.00 C ATOM 778 O VAL A 50 8.921 -6.780 -0.235 1.00 0.00 O ATOM 779 CB VAL A 50 9.217 -3.850 -1.318 1.00 0.00 C ATOM 780 CG1 VAL A 50 9.140 -4.441 -2.731 1.00 0.00 C ATOM 781 CG2 VAL A 50 7.815 -3.792 -0.738 1.00 0.00 C ATOM 0 H VAL A 50 11.676 -3.902 -1.646 1.00 0.00 H new ATOM 0 HA VAL A 50 9.912 -4.525 0.619 1.00 0.00 H new ATOM 0 HB VAL A 50 9.640 -2.847 -1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.496 -3.818 -3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.139 -4.476 -3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.730 -5.450 -2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.182 -3.175 -1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.402 -4.799 -0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.853 -3.360 0.262 1.00 0.00 H new ATOM 791 N VAL A 51 10.678 -6.765 -1.546 1.00 0.00 N ATOM 792 CA VAL A 51 10.509 -8.193 -1.888 1.00 0.00 C ATOM 793 C VAL A 51 10.632 -8.951 -0.586 1.00 0.00 C ATOM 794 O VAL A 51 9.812 -9.757 -0.201 1.00 0.00 O ATOM 795 CB VAL A 51 11.627 -8.564 -2.878 1.00 0.00 C ATOM 796 CG1 VAL A 51 12.743 -9.375 -2.214 1.00 0.00 C ATOM 797 CG2 VAL A 51 11.041 -9.379 -4.005 1.00 0.00 C ATOM 0 H VAL A 51 11.473 -6.306 -1.992 1.00 0.00 H new ATOM 0 HA VAL A 51 9.552 -8.425 -2.354 1.00 0.00 H new ATOM 0 HB VAL A 51 12.060 -7.635 -3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.509 -9.613 -2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.186 -8.791 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.330 -10.299 -1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.829 -9.645 -4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.593 -10.287 -3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.277 -8.794 -4.518 1.00 0.00 H new ATOM 807 N ARG A 52 11.679 -8.641 0.078 1.00 0.00 N ATOM 808 CA ARG A 52 11.993 -9.228 1.385 1.00 0.00 C ATOM 809 C ARG A 52 10.845 -8.962 2.364 1.00 0.00 C ATOM 810 O ARG A 52 10.534 -9.790 3.198 1.00 0.00 O ATOM 811 CB ARG A 52 13.261 -8.547 1.878 1.00 0.00 C ATOM 812 CG ARG A 52 14.331 -9.599 2.128 1.00 0.00 C ATOM 813 CD ARG A 52 13.834 -10.592 3.178 1.00 0.00 C ATOM 814 NE ARG A 52 14.862 -11.650 3.392 1.00 0.00 N ATOM 815 CZ ARG A 52 15.557 -12.102 2.385 1.00 0.00 C ATOM 816 NH1 ARG A 52 15.051 -13.017 1.605 1.00 0.00 N ATOM 817 NH2 ARG A 52 16.755 -11.640 2.158 1.00 0.00 N ATOM 0 H ARG A 52 12.371 -7.966 -0.248 1.00 0.00 H new ATOM 0 HA ARG A 52 12.130 -10.307 1.309 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.610 -7.825 1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.058 -7.993 2.795 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.566 -10.121 1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 52 15.251 -9.124 2.468 1.00 0.00 H new ATOM 0 HD2 ARG A 52 13.630 -10.074 4.115 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.896 -11.042 2.852 1.00 0.00 H new ATOM 0 HE ARG A 52 15.022 -12.021 4.328 1.00 0.00 H new ATOM 0 HH11 ARG A 52 14.114 -13.378 1.783 1.00 0.00 H new ATOM 0 HH12 ARG A 52 15.593 -13.372 0.817 1.00 0.00 H new ATOM 0 HH21 ARG A 52 17.150 -10.924 2.768 1.00 0.00 H new ATOM 0 HH22 ARG A 52 17.297 -11.994 1.370 1.00 0.00 H new ATOM 831 N GLU A 53 10.205 -7.816 2.281 1.00 0.00 N ATOM 832 CA GLU A 53 9.084 -7.536 3.228 1.00 0.00 C ATOM 833 C GLU A 53 7.947 -8.523 2.965 1.00 0.00 C ATOM 834 O GLU A 53 7.145 -8.815 3.830 1.00 0.00 O ATOM 835 CB GLU A 53 8.585 -6.103 3.020 1.00 0.00 C ATOM 836 CG GLU A 53 9.637 -5.118 3.535 1.00 0.00 C ATOM 837 CD GLU A 53 9.019 -4.215 4.606 1.00 0.00 C ATOM 838 OE1 GLU A 53 8.321 -4.735 5.462 1.00 0.00 O ATOM 839 OE2 GLU A 53 9.255 -3.020 4.554 1.00 0.00 O ATOM 0 H GLU A 53 10.409 -7.076 1.609 1.00 0.00 H new ATOM 0 HA GLU A 53 9.432 -7.648 4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.390 -5.924 1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.643 -5.954 3.547 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.486 -5.662 3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.017 -4.514 2.711 1.00 0.00 H new ATOM 846 N LEU A 54 7.880 -9.039 1.774 1.00 0.00 N ATOM 847 CA LEU A 54 6.807 -10.012 1.430 1.00 0.00 C ATOM 848 C LEU A 54 7.093 -11.352 2.088 1.00 0.00 C ATOM 849 O LEU A 54 6.408 -11.774 2.991 1.00 0.00 O ATOM 850 CB LEU A 54 6.781 -10.195 -0.091 1.00 0.00 C ATOM 851 CG LEU A 54 6.045 -11.486 -0.497 1.00 0.00 C ATOM 852 CD1 LEU A 54 4.841 -11.759 0.413 1.00 0.00 C ATOM 853 CD2 LEU A 54 5.553 -11.344 -1.940 1.00 0.00 C ATOM 0 H LEU A 54 8.528 -8.828 1.015 1.00 0.00 H new ATOM 0 HA LEU A 54 5.846 -9.638 1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.292 -9.337 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.802 -10.223 -0.472 1.00 0.00 H new ATOM 0 HG LEU A 54 6.741 -12.319 -0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.347 -12.677 0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.180 -11.866 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.139 -10.928 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.030 -12.253 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.873 -10.495 -2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.405 -11.183 -2.601 1.00 0.00 H new ATOM 865 N GLN A 55 8.084 -12.030 1.605 1.00 0.00 N ATOM 866 CA GLN A 55 8.428 -13.376 2.156 1.00 0.00 C ATOM 867 C GLN A 55 8.761 -13.303 3.653 1.00 0.00 C ATOM 868 O GLN A 55 8.702 -14.298 4.349 1.00 0.00 O ATOM 869 CB GLN A 55 9.630 -13.940 1.393 1.00 0.00 C ATOM 870 CG GLN A 55 10.869 -13.095 1.690 1.00 0.00 C ATOM 871 CD GLN A 55 11.702 -13.775 2.776 1.00 0.00 C ATOM 872 OE1 GLN A 55 11.944 -13.204 3.820 1.00 0.00 O ATOM 873 NE2 GLN A 55 12.154 -14.983 2.572 1.00 0.00 N ATOM 0 H GLN A 55 8.683 -11.713 0.843 1.00 0.00 H new ATOM 0 HA GLN A 55 7.562 -14.027 2.035 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.805 -14.976 1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.426 -13.941 0.322 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.463 -12.972 0.785 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.573 -12.098 2.015 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.950 -15.462 1.695 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.711 -15.447 3.290 1.00 0.00 H new ATOM 882 N GLU A 56 9.121 -12.160 4.161 1.00 0.00 N ATOM 883 CA GLU A 56 9.461 -12.080 5.614 1.00 0.00 C ATOM 884 C GLU A 56 8.184 -11.984 6.462 1.00 0.00 C ATOM 885 O GLU A 56 8.242 -11.868 7.670 1.00 0.00 O ATOM 886 CB GLU A 56 10.338 -10.852 5.868 1.00 0.00 C ATOM 887 CG GLU A 56 9.486 -9.585 5.783 1.00 0.00 C ATOM 888 CD GLU A 56 10.303 -8.393 6.282 1.00 0.00 C ATOM 889 OE1 GLU A 56 11.372 -8.163 5.739 1.00 0.00 O ATOM 890 OE2 GLU A 56 9.847 -7.732 7.199 1.00 0.00 O ATOM 0 H GLU A 56 9.195 -11.284 3.643 1.00 0.00 H new ATOM 0 HA GLU A 56 10.002 -12.983 5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.805 -10.923 6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.144 -10.810 5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.166 -9.416 4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.583 -9.699 6.383 1.00 0.00 H new ATOM 897 N GLU A 57 7.033 -12.015 5.845 1.00 0.00 N ATOM 898 CA GLU A 57 5.770 -11.906 6.626 1.00 0.00 C ATOM 899 C GLU A 57 4.733 -12.935 6.143 1.00 0.00 C ATOM 900 O GLU A 57 4.270 -13.763 6.901 1.00 0.00 O ATOM 901 CB GLU A 57 5.202 -10.503 6.436 1.00 0.00 C ATOM 902 CG GLU A 57 3.855 -10.404 7.140 1.00 0.00 C ATOM 903 CD GLU A 57 3.547 -8.938 7.447 1.00 0.00 C ATOM 904 OE1 GLU A 57 4.480 -8.153 7.483 1.00 0.00 O ATOM 905 OE2 GLU A 57 2.384 -8.625 7.639 1.00 0.00 O ATOM 0 H GLU A 57 6.914 -12.111 4.836 1.00 0.00 H new ATOM 0 HA GLU A 57 5.986 -12.100 7.677 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.891 -9.762 6.840 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.087 -10.286 5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.072 -10.827 6.511 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.871 -10.984 8.063 1.00 0.00 H new ATOM 912 N VAL A 58 4.358 -12.877 4.894 1.00 0.00 N ATOM 913 CA VAL A 58 3.339 -13.837 4.361 1.00 0.00 C ATOM 914 C VAL A 58 4.018 -14.730 3.328 1.00 0.00 C ATOM 915 O VAL A 58 3.818 -15.928 3.285 1.00 0.00 O ATOM 916 CB VAL A 58 2.167 -13.039 3.723 1.00 0.00 C ATOM 917 CG1 VAL A 58 2.580 -11.590 3.514 1.00 0.00 C ATOM 918 CG2 VAL A 58 1.765 -13.602 2.354 1.00 0.00 C ATOM 0 H VAL A 58 4.713 -12.205 4.214 1.00 0.00 H new ATOM 0 HA VAL A 58 2.933 -14.458 5.160 1.00 0.00 H new ATOM 0 HB VAL A 58 1.323 -13.119 4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.754 -11.037 3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.838 -11.143 4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.444 -11.550 2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.943 -13.014 1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.617 -13.554 1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.449 -14.639 2.466 1.00 0.00 H new ATOM 928 N GLY A 59 4.824 -14.140 2.507 1.00 0.00 N ATOM 929 CA GLY A 59 5.545 -14.909 1.467 1.00 0.00 C ATOM 930 C GLY A 59 4.557 -15.612 0.545 1.00 0.00 C ATOM 931 O GLY A 59 4.426 -16.820 0.559 1.00 0.00 O ATOM 0 H GLY A 59 5.019 -13.139 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.181 -14.240 0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.199 -15.643 1.937 1.00 0.00 H new ATOM 935 N ILE A 60 3.893 -14.867 -0.289 1.00 0.00 N ATOM 936 CA ILE A 60 2.947 -15.496 -1.252 1.00 0.00 C ATOM 937 C ILE A 60 3.803 -16.043 -2.403 1.00 0.00 C ATOM 938 O ILE A 60 4.956 -15.681 -2.534 1.00 0.00 O ATOM 939 CB ILE A 60 1.921 -14.467 -1.775 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.231 -13.058 -1.259 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.528 -14.849 -1.273 1.00 0.00 C ATOM 942 CD1 ILE A 60 1.155 -12.090 -1.751 1.00 0.00 C ATOM 0 H ILE A 60 3.963 -13.851 -0.347 1.00 0.00 H new ATOM 0 HA ILE A 60 2.374 -16.290 -0.773 1.00 0.00 H new ATOM 0 HB ILE A 60 1.969 -14.471 -2.864 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.266 -13.057 -0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.212 -12.738 -1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.201 -14.126 -1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.269 -15.843 -1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.522 -14.851 -0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.373 -11.087 -1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.142 -12.084 -2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.181 -12.408 -1.378 1.00 0.00 H new ATOM 954 N THR A 61 3.293 -16.920 -3.223 1.00 0.00 N ATOM 955 CA THR A 61 4.157 -17.463 -4.321 1.00 0.00 C ATOM 956 C THR A 61 3.833 -16.767 -5.655 1.00 0.00 C ATOM 957 O THR A 61 4.656 -16.016 -6.137 1.00 0.00 O ATOM 958 CB THR A 61 4.005 -18.991 -4.406 1.00 0.00 C ATOM 959 OG1 THR A 61 4.884 -19.595 -3.468 1.00 0.00 O ATOM 960 CG2 THR A 61 4.356 -19.486 -5.815 1.00 0.00 C ATOM 0 H THR A 61 2.339 -17.280 -3.188 1.00 0.00 H new ATOM 0 HA THR A 61 5.203 -17.252 -4.097 1.00 0.00 H new ATOM 0 HB THR A 61 2.972 -19.259 -4.185 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.792 -20.570 -3.514 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.243 -20.569 -5.859 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.688 -19.022 -6.541 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.387 -19.219 -6.048 1.00 0.00 H new ATOM 968 N PRO A 62 2.661 -17.014 -6.214 1.00 0.00 N ATOM 969 CA PRO A 62 2.235 -16.361 -7.476 1.00 0.00 C ATOM 970 C PRO A 62 1.938 -14.861 -7.272 1.00 0.00 C ATOM 971 O PRO A 62 0.904 -14.376 -7.680 1.00 0.00 O ATOM 972 CB PRO A 62 0.936 -17.072 -7.865 1.00 0.00 C ATOM 973 CG PRO A 62 0.536 -17.992 -6.692 1.00 0.00 C ATOM 974 CD PRO A 62 1.691 -17.990 -5.681 1.00 0.00 C ATOM 0 HA PRO A 62 3.017 -16.431 -8.232 1.00 0.00 H new ATOM 0 HB2 PRO A 62 0.148 -16.346 -8.068 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.076 -17.653 -8.776 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -0.382 -17.637 -6.224 1.00 0.00 H new ATOM 0 HG3 PRO A 62 0.342 -19.004 -7.049 1.00 0.00 H new ATOM 0 HD2 PRO A 62 1.346 -17.702 -4.688 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.137 -18.980 -5.589 1.00 0.00 H new ATOM 982 N GLN A 63 2.820 -14.132 -6.648 1.00 0.00 N ATOM 983 CA GLN A 63 2.596 -12.681 -6.416 1.00 0.00 C ATOM 984 C GLN A 63 3.020 -11.902 -7.658 1.00 0.00 C ATOM 985 O GLN A 63 3.843 -11.013 -7.593 1.00 0.00 O ATOM 986 CB GLN A 63 3.435 -12.225 -5.220 1.00 0.00 C ATOM 987 CG GLN A 63 4.863 -12.756 -5.365 1.00 0.00 C ATOM 988 CD GLN A 63 5.861 -11.634 -5.069 1.00 0.00 C ATOM 989 OE1 GLN A 63 5.574 -10.475 -5.294 1.00 0.00 O ATOM 990 NE2 GLN A 63 7.029 -11.932 -4.568 1.00 0.00 N ATOM 0 H GLN A 63 3.703 -14.489 -6.283 1.00 0.00 H new ATOM 0 HA GLN A 63 1.541 -12.500 -6.212 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.445 -11.137 -5.163 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.993 -12.589 -4.292 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.023 -13.589 -4.680 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.019 -13.138 -6.374 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.270 -12.905 -4.379 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.701 -11.192 -4.365 1.00 0.00 H new ATOM 999 N HIS A 64 2.471 -12.231 -8.792 1.00 0.00 N ATOM 1000 CA HIS A 64 2.852 -11.507 -10.039 1.00 0.00 C ATOM 1001 C HIS A 64 2.473 -10.031 -9.902 1.00 0.00 C ATOM 1002 O HIS A 64 1.316 -9.692 -9.749 1.00 0.00 O ATOM 1003 CB HIS A 64 2.113 -12.116 -11.233 1.00 0.00 C ATOM 1004 CG HIS A 64 2.898 -11.859 -12.492 1.00 0.00 C ATOM 1005 ND1 HIS A 64 3.148 -10.579 -12.960 1.00 0.00 N ATOM 1006 CD2 HIS A 64 3.494 -12.710 -13.390 1.00 0.00 C ATOM 1007 CE1 HIS A 64 3.867 -10.694 -14.092 1.00 0.00 C ATOM 1008 NE2 HIS A 64 4.105 -11.973 -14.399 1.00 0.00 N ATOM 0 H HIS A 64 1.776 -12.968 -8.912 1.00 0.00 H new ATOM 0 HA HIS A 64 3.927 -11.596 -10.198 1.00 0.00 H new ATOM 0 HB2 HIS A 64 1.982 -13.188 -11.085 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.117 -11.682 -11.318 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.489 -13.788 -13.323 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.210 -9.856 -14.680 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.623 -12.332 -15.201 1.00 0.00 H new ATOM 1016 N PHE A 65 3.435 -9.148 -9.949 1.00 0.00 N ATOM 1017 CA PHE A 65 3.112 -7.700 -9.811 1.00 0.00 C ATOM 1018 C PHE A 65 3.825 -6.882 -10.884 1.00 0.00 C ATOM 1019 O PHE A 65 4.454 -7.403 -11.783 1.00 0.00 O ATOM 1020 CB PHE A 65 3.572 -7.194 -8.447 1.00 0.00 C ATOM 1021 CG PHE A 65 5.069 -7.373 -8.326 1.00 0.00 C ATOM 1022 CD1 PHE A 65 5.931 -6.391 -8.828 1.00 0.00 C ATOM 1023 CD2 PHE A 65 5.593 -8.520 -7.719 1.00 0.00 C ATOM 1024 CE1 PHE A 65 7.317 -6.556 -8.722 1.00 0.00 C ATOM 1025 CE2 PHE A 65 6.978 -8.685 -7.616 1.00 0.00 C ATOM 1026 CZ PHE A 65 7.841 -7.703 -8.117 1.00 0.00 C ATOM 0 H PHE A 65 4.423 -9.366 -10.076 1.00 0.00 H new ATOM 0 HA PHE A 65 2.033 -7.586 -9.918 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.309 -6.143 -8.329 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.063 -7.741 -7.653 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.527 -5.506 -9.297 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.928 -9.277 -7.330 1.00 0.00 H new ATOM 0 HE1 PHE A 65 7.982 -5.797 -9.108 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.382 -9.571 -7.149 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.910 -7.831 -8.036 1.00 0.00 H new ATOM 1036 N SER A 66 3.714 -5.594 -10.771 1.00 0.00 N ATOM 1037 CA SER A 66 4.364 -4.676 -11.760 1.00 0.00 C ATOM 1038 C SER A 66 4.582 -3.272 -11.156 1.00 0.00 C ATOM 1039 O SER A 66 5.154 -2.403 -11.782 1.00 0.00 O ATOM 1040 CB SER A 66 3.457 -4.549 -12.978 1.00 0.00 C ATOM 1041 OG SER A 66 4.185 -3.984 -14.064 1.00 0.00 O ATOM 0 H SER A 66 3.196 -5.124 -10.029 1.00 0.00 H new ATOM 0 HA SER A 66 5.334 -5.091 -12.035 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.070 -5.529 -13.258 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.597 -3.923 -12.739 1.00 0.00 H new ATOM 0 HG SER A 66 4.810 -3.311 -13.724 1.00 0.00 H new ATOM 1047 N LEU A 67 4.124 -3.042 -9.955 1.00 0.00 N ATOM 1048 CA LEU A 67 4.284 -1.709 -9.313 1.00 0.00 C ATOM 1049 C LEU A 67 3.703 -0.623 -10.207 1.00 0.00 C ATOM 1050 O LEU A 67 4.252 -0.283 -11.236 1.00 0.00 O ATOM 1051 CB LEU A 67 5.762 -1.414 -9.050 1.00 0.00 C ATOM 1052 CG LEU A 67 5.954 0.085 -8.744 1.00 0.00 C ATOM 1053 CD1 LEU A 67 5.300 0.441 -7.403 1.00 0.00 C ATOM 1054 CD2 LEU A 67 7.447 0.405 -8.671 1.00 0.00 C ATOM 0 H LEU A 67 3.638 -3.734 -9.384 1.00 0.00 H new ATOM 0 HA LEU A 67 3.749 -1.721 -8.363 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.117 -2.013 -8.212 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.358 -1.696 -9.918 1.00 0.00 H new ATOM 0 HG LEU A 67 5.487 0.667 -9.538 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.443 1.502 -7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.233 0.221 -7.448 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.758 -0.146 -6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.582 1.465 -8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.908 -0.188 -7.881 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.917 0.167 -9.625 1.00 0.00 H new ATOM 1066 N PHE A 68 2.615 -0.051 -9.794 1.00 0.00 N ATOM 1067 CA PHE A 68 2.010 1.047 -10.580 1.00 0.00 C ATOM 1068 C PHE A 68 3.077 2.124 -10.758 1.00 0.00 C ATOM 1069 O PHE A 68 3.664 2.286 -11.810 1.00 0.00 O ATOM 1070 CB PHE A 68 0.819 1.603 -9.782 1.00 0.00 C ATOM 1071 CG PHE A 68 0.679 3.090 -9.994 1.00 0.00 C ATOM 1072 CD1 PHE A 68 0.323 3.589 -11.251 1.00 0.00 C ATOM 1073 CD2 PHE A 68 0.917 3.968 -8.932 1.00 0.00 C ATOM 1074 CE1 PHE A 68 0.207 4.968 -11.444 1.00 0.00 C ATOM 1075 CE2 PHE A 68 0.800 5.345 -9.125 1.00 0.00 C ATOM 1076 CZ PHE A 68 0.447 5.843 -10.379 1.00 0.00 C ATOM 0 H PHE A 68 2.116 -0.299 -8.940 1.00 0.00 H new ATOM 0 HA PHE A 68 1.662 0.707 -11.555 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.097 1.099 -10.090 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.957 1.394 -8.721 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.138 2.910 -12.070 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.191 3.580 -7.962 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.067 5.358 -12.413 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.982 6.024 -8.305 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.359 6.909 -10.529 1.00 0.00 H new ATOM 1086 N GLU A 69 3.325 2.850 -9.712 1.00 0.00 N ATOM 1087 CA GLU A 69 4.355 3.925 -9.756 1.00 0.00 C ATOM 1088 C GLU A 69 4.878 4.184 -8.339 1.00 0.00 C ATOM 1089 O GLU A 69 4.606 3.435 -7.423 1.00 0.00 O ATOM 1090 CB GLU A 69 3.735 5.204 -10.317 1.00 0.00 C ATOM 1091 CG GLU A 69 4.450 5.584 -11.613 1.00 0.00 C ATOM 1092 CD GLU A 69 3.788 6.824 -12.217 1.00 0.00 C ATOM 1093 OE1 GLU A 69 2.679 7.133 -11.816 1.00 0.00 O ATOM 1094 OE2 GLU A 69 4.403 7.441 -13.072 1.00 0.00 O ATOM 0 H GLU A 69 2.853 2.746 -8.814 1.00 0.00 H new ATOM 0 HA GLU A 69 5.180 3.615 -10.397 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.672 5.055 -10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.820 6.012 -9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.504 5.781 -11.415 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.408 4.756 -12.320 1.00 0.00 H new ATOM 1101 N LYS A 70 5.627 5.239 -8.153 1.00 0.00 N ATOM 1102 CA LYS A 70 6.169 5.542 -6.794 1.00 0.00 C ATOM 1103 C LYS A 70 6.235 7.060 -6.595 1.00 0.00 C ATOM 1104 O LYS A 70 6.814 7.771 -7.392 1.00 0.00 O ATOM 1105 CB LYS A 70 7.578 4.953 -6.667 1.00 0.00 C ATOM 1106 CG LYS A 70 7.943 4.799 -5.187 1.00 0.00 C ATOM 1107 CD LYS A 70 9.455 4.971 -5.005 1.00 0.00 C ATOM 1108 CE LYS A 70 10.203 3.999 -5.923 1.00 0.00 C ATOM 1109 NZ LYS A 70 11.511 4.598 -6.316 1.00 0.00 N ATOM 0 H LYS A 70 5.887 5.904 -8.882 1.00 0.00 H new ATOM 0 HA LYS A 70 5.518 5.104 -6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.624 3.985 -7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.300 5.602 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.409 5.540 -4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.633 3.818 -4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.744 5.997 -5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.729 4.787 -3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.364 3.050 -5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.606 3.787 -6.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.021 3.940 -6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.346 5.493 -6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.080 4.779 -5.464 1.00 0.00 H new ATOM 1123 N LEU A 71 5.655 7.564 -5.535 1.00 0.00 N ATOM 1124 CA LEU A 71 5.701 9.035 -5.295 1.00 0.00 C ATOM 1125 C LEU A 71 6.556 9.324 -4.061 1.00 0.00 C ATOM 1126 O LEU A 71 7.233 8.459 -3.545 1.00 0.00 O ATOM 1127 CB LEU A 71 4.285 9.580 -5.074 1.00 0.00 C ATOM 1128 CG LEU A 71 3.484 8.625 -4.184 1.00 0.00 C ATOM 1129 CD1 LEU A 71 4.160 8.506 -2.818 1.00 0.00 C ATOM 1130 CD2 LEU A 71 2.066 9.174 -3.999 1.00 0.00 C ATOM 0 H LEU A 71 5.155 7.023 -4.830 1.00 0.00 H new ATOM 0 HA LEU A 71 6.137 9.523 -6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.335 10.565 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.781 9.704 -6.033 1.00 0.00 H new ATOM 0 HG LEU A 71 3.441 7.643 -4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.588 7.826 -2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.171 8.119 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.204 9.488 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.493 8.496 -3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.115 10.156 -3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.580 9.261 -4.971 1.00 0.00 H new ATOM 1142 N GLU A 72 6.529 10.536 -3.583 1.00 0.00 N ATOM 1143 CA GLU A 72 7.339 10.879 -2.381 1.00 0.00 C ATOM 1144 C GLU A 72 6.597 11.930 -1.558 1.00 0.00 C ATOM 1145 O GLU A 72 5.982 12.829 -2.094 1.00 0.00 O ATOM 1146 CB GLU A 72 8.700 11.428 -2.815 1.00 0.00 C ATOM 1147 CG GLU A 72 8.500 12.698 -3.644 1.00 0.00 C ATOM 1148 CD GLU A 72 9.691 12.884 -4.587 1.00 0.00 C ATOM 1149 OE1 GLU A 72 10.772 12.441 -4.238 1.00 0.00 O ATOM 1150 OE2 GLU A 72 9.501 13.468 -5.641 1.00 0.00 O ATOM 0 H GLU A 72 5.982 11.304 -3.972 1.00 0.00 H new ATOM 0 HA GLU A 72 7.493 9.985 -1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.312 11.646 -1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.235 10.680 -3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.576 12.629 -4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.404 13.563 -2.987 1.00 0.00 H new ATOM 1157 N TYR A 73 6.638 11.819 -0.260 1.00 0.00 N ATOM 1158 CA TYR A 73 5.923 12.806 0.588 1.00 0.00 C ATOM 1159 C TYR A 73 6.864 13.346 1.665 1.00 0.00 C ATOM 1160 O TYR A 73 7.952 12.846 1.865 1.00 0.00 O ATOM 1161 CB TYR A 73 4.734 12.116 1.253 1.00 0.00 C ATOM 1162 CG TYR A 73 3.451 12.778 0.811 1.00 0.00 C ATOM 1163 CD1 TYR A 73 3.402 14.166 0.633 1.00 0.00 C ATOM 1164 CD2 TYR A 73 2.310 12.002 0.575 1.00 0.00 C ATOM 1165 CE1 TYR A 73 2.214 14.779 0.221 1.00 0.00 C ATOM 1166 CE2 TYR A 73 1.120 12.616 0.163 1.00 0.00 C ATOM 1167 CZ TYR A 73 1.073 14.004 -0.015 1.00 0.00 C ATOM 1168 OH TYR A 73 -0.097 14.609 -0.421 1.00 0.00 O ATOM 0 H TYR A 73 7.136 11.088 0.248 1.00 0.00 H new ATOM 0 HA TYR A 73 5.577 13.635 -0.030 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.719 11.059 0.988 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.829 12.171 2.337 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.283 14.764 0.814 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.347 10.931 0.710 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.177 15.850 0.085 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.239 12.018 -0.017 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.852 14.008 -0.251 1.00 0.00 H new ATOM 1178 N GLU A 74 6.445 14.366 2.359 1.00 0.00 N ATOM 1179 CA GLU A 74 7.293 14.955 3.431 1.00 0.00 C ATOM 1180 C GLU A 74 6.404 15.779 4.357 1.00 0.00 C ATOM 1181 O GLU A 74 5.847 16.786 3.968 1.00 0.00 O ATOM 1182 CB GLU A 74 8.358 15.857 2.801 1.00 0.00 C ATOM 1183 CG GLU A 74 9.653 15.765 3.610 1.00 0.00 C ATOM 1184 CD GLU A 74 10.471 17.042 3.406 1.00 0.00 C ATOM 1185 OE1 GLU A 74 9.931 17.986 2.854 1.00 0.00 O ATOM 1186 OE2 GLU A 74 11.625 17.053 3.803 1.00 0.00 O ATOM 0 H GLU A 74 5.542 14.821 2.228 1.00 0.00 H new ATOM 0 HA GLU A 74 7.786 14.164 3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.540 15.556 1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.006 16.888 2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.425 15.631 4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.230 14.896 3.295 1.00 0.00 H new ATOM 1193 N PHE A 75 6.257 15.357 5.579 1.00 0.00 N ATOM 1194 CA PHE A 75 5.399 16.114 6.522 1.00 0.00 C ATOM 1195 C PHE A 75 6.178 17.322 7.048 1.00 0.00 C ATOM 1196 O PHE A 75 7.342 17.484 6.737 1.00 0.00 O ATOM 1197 CB PHE A 75 4.997 15.193 7.675 1.00 0.00 C ATOM 1198 CG PHE A 75 3.522 14.878 7.566 1.00 0.00 C ATOM 1199 CD1 PHE A 75 3.003 14.374 6.365 1.00 0.00 C ATOM 1200 CD2 PHE A 75 2.672 15.094 8.658 1.00 0.00 C ATOM 1201 CE1 PHE A 75 1.637 14.086 6.257 1.00 0.00 C ATOM 1202 CE2 PHE A 75 1.306 14.806 8.550 1.00 0.00 C ATOM 1203 CZ PHE A 75 0.789 14.302 7.349 1.00 0.00 C ATOM 0 H PHE A 75 6.695 14.520 5.964 1.00 0.00 H new ATOM 0 HA PHE A 75 4.499 16.467 6.018 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.581 14.273 7.643 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.209 15.672 8.631 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.658 14.208 5.522 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.070 15.483 9.584 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.238 13.697 5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.651 14.972 9.392 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.265 14.080 7.266 1.00 0.00 H new ATOM 1213 N PRO A 76 5.515 18.144 7.820 1.00 0.00 N ATOM 1214 CA PRO A 76 6.132 19.357 8.388 1.00 0.00 C ATOM 1215 C PRO A 76 7.281 19.018 9.351 1.00 0.00 C ATOM 1216 O PRO A 76 7.860 19.901 9.952 1.00 0.00 O ATOM 1217 CB PRO A 76 4.994 20.056 9.147 1.00 0.00 C ATOM 1218 CG PRO A 76 3.735 19.159 9.043 1.00 0.00 C ATOM 1219 CD PRO A 76 4.099 17.941 8.180 1.00 0.00 C ATOM 0 HA PRO A 76 6.569 19.981 7.608 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.269 20.210 10.191 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.798 21.040 8.721 1.00 0.00 H new ATOM 0 HG2 PRO A 76 3.408 18.842 10.033 1.00 0.00 H new ATOM 0 HG3 PRO A 76 2.908 19.711 8.596 1.00 0.00 H new ATOM 0 HD2 PRO A 76 3.960 17.011 8.730 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.469 17.883 7.292 1.00 0.00 H new ATOM 1227 N ASP A 77 7.619 17.767 9.522 1.00 0.00 N ATOM 1228 CA ASP A 77 8.723 17.442 10.464 1.00 0.00 C ATOM 1229 C ASP A 77 9.539 16.234 9.993 1.00 0.00 C ATOM 1230 O ASP A 77 10.683 16.075 10.370 1.00 0.00 O ATOM 1231 CB ASP A 77 8.138 17.147 11.845 1.00 0.00 C ATOM 1232 CG ASP A 77 8.736 18.111 12.870 1.00 0.00 C ATOM 1233 OD1 ASP A 77 8.350 19.268 12.861 1.00 0.00 O ATOM 1234 OD2 ASP A 77 9.572 17.676 13.644 1.00 0.00 O ATOM 0 H ASP A 77 7.185 16.970 9.057 1.00 0.00 H new ATOM 0 HA ASP A 77 9.391 18.302 10.506 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.053 17.251 11.822 1.00 0.00 H new ATOM 0 HB3 ASP A 77 8.353 16.117 12.130 1.00 0.00 H new ATOM 1239 N ARG A 78 8.973 15.364 9.211 1.00 0.00 N ATOM 1240 CA ARG A 78 9.728 14.173 8.776 1.00 0.00 C ATOM 1241 C ARG A 78 9.610 13.972 7.265 1.00 0.00 C ATOM 1242 O ARG A 78 8.949 14.718 6.571 1.00 0.00 O ATOM 1243 CB ARG A 78 9.141 12.958 9.478 1.00 0.00 C ATOM 1244 CG ARG A 78 7.640 13.154 9.711 1.00 0.00 C ATOM 1245 CD ARG A 78 7.120 12.043 10.622 1.00 0.00 C ATOM 1246 NE ARG A 78 6.248 12.639 11.675 1.00 0.00 N ATOM 1247 CZ ARG A 78 5.485 11.875 12.414 1.00 0.00 C ATOM 1248 NH1 ARG A 78 5.093 10.712 11.972 1.00 0.00 N ATOM 1249 NH2 ARG A 78 5.115 12.277 13.600 1.00 0.00 N ATOM 0 H ARG A 78 8.019 15.430 8.856 1.00 0.00 H new ATOM 0 HA ARG A 78 10.780 14.306 9.027 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.309 12.065 8.876 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.647 12.800 10.431 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.455 14.128 10.164 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.108 13.139 8.760 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.559 11.312 10.040 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.954 11.513 11.081 1.00 0.00 H new ATOM 0 HE ARG A 78 6.246 13.649 11.820 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.381 10.395 11.047 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.498 10.120 12.552 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.421 13.185 13.949 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.520 11.683 14.177 1.00 0.00 H new ATOM 1263 N HIS A 79 10.245 12.947 6.763 1.00 0.00 N ATOM 1264 CA HIS A 79 10.180 12.651 5.305 1.00 0.00 C ATOM 1265 C HIS A 79 9.556 11.268 5.127 1.00 0.00 C ATOM 1266 O HIS A 79 9.890 10.337 5.832 1.00 0.00 O ATOM 1267 CB HIS A 79 11.594 12.656 4.715 1.00 0.00 C ATOM 1268 CG HIS A 79 12.440 13.651 5.457 1.00 0.00 C ATOM 1269 ND1 HIS A 79 13.760 13.396 5.797 1.00 0.00 N ATOM 1270 CD2 HIS A 79 12.164 14.905 5.939 1.00 0.00 C ATOM 1271 CE1 HIS A 79 14.224 14.474 6.454 1.00 0.00 C ATOM 1272 NE2 HIS A 79 13.292 15.424 6.568 1.00 0.00 N ATOM 0 H HIS A 79 10.811 12.296 7.308 1.00 0.00 H new ATOM 0 HA HIS A 79 9.582 13.405 4.793 1.00 0.00 H new ATOM 0 HB2 HIS A 79 12.034 11.661 4.788 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.557 12.911 3.656 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.215 15.413 5.845 1.00 0.00 H new ATOM 0 HE1 HIS A 79 15.228 14.561 6.842 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.387 16.334 7.019 1.00 0.00 H new ATOM 1280 N ILE A 80 8.644 11.121 4.207 1.00 0.00 N ATOM 1281 CA ILE A 80 8.004 9.789 4.021 1.00 0.00 C ATOM 1282 C ILE A 80 7.666 9.552 2.548 1.00 0.00 C ATOM 1283 O ILE A 80 6.743 10.129 2.008 1.00 0.00 O ATOM 1284 CB ILE A 80 6.722 9.728 4.854 1.00 0.00 C ATOM 1285 CG1 ILE A 80 7.082 9.749 6.342 1.00 0.00 C ATOM 1286 CG2 ILE A 80 5.961 8.439 4.533 1.00 0.00 C ATOM 1287 CD1 ILE A 80 7.730 8.419 6.729 1.00 0.00 C ATOM 0 H ILE A 80 8.317 11.857 3.582 1.00 0.00 H new ATOM 0 HA ILE A 80 8.700 9.015 4.346 1.00 0.00 H new ATOM 0 HB ILE A 80 6.094 10.587 4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 80 7.765 10.573 6.550 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.187 9.918 6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.048 8.398 5.127 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.705 8.422 3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.587 7.578 4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.986 8.434 7.788 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.032 7.604 6.536 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.634 8.270 6.139 1.00 0.00 H new ATOM 1299 N THR A 81 8.394 8.681 1.901 1.00 0.00 N ATOM 1300 CA THR A 81 8.105 8.373 0.473 1.00 0.00 C ATOM 1301 C THR A 81 7.351 7.043 0.425 1.00 0.00 C ATOM 1302 O THR A 81 7.922 5.994 0.632 1.00 0.00 O ATOM 1303 CB THR A 81 9.421 8.256 -0.302 1.00 0.00 C ATOM 1304 OG1 THR A 81 9.932 9.558 -0.561 1.00 0.00 O ATOM 1305 CG2 THR A 81 9.184 7.522 -1.625 1.00 0.00 C ATOM 0 H THR A 81 9.179 8.169 2.303 1.00 0.00 H new ATOM 0 HA THR A 81 7.506 9.164 0.022 1.00 0.00 H new ATOM 0 HB THR A 81 10.141 7.693 0.292 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.416 10.219 -0.054 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.124 7.443 -2.171 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.796 6.524 -1.423 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.462 8.077 -2.225 1.00 0.00 H new ATOM 1313 N LEU A 82 6.072 7.073 0.182 1.00 0.00 N ATOM 1314 CA LEU A 82 5.296 5.803 0.159 1.00 0.00 C ATOM 1315 C LEU A 82 5.487 5.085 -1.179 1.00 0.00 C ATOM 1316 O LEU A 82 5.381 5.676 -2.235 1.00 0.00 O ATOM 1317 CB LEU A 82 3.816 6.121 0.367 1.00 0.00 C ATOM 1318 CG LEU A 82 3.390 5.681 1.769 1.00 0.00 C ATOM 1319 CD1 LEU A 82 2.640 6.824 2.456 1.00 0.00 C ATOM 1320 CD2 LEU A 82 2.476 4.461 1.665 1.00 0.00 C ATOM 0 H LEU A 82 5.531 7.918 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 82 5.652 5.150 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.642 7.190 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.214 5.610 -0.384 1.00 0.00 H new ATOM 0 HG LEU A 82 4.274 5.423 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.336 6.511 3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.292 7.694 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.756 7.082 1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.173 4.148 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.592 4.717 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.010 3.647 1.176 1.00 0.00 H new ATOM 1332 N TRP A 83 5.780 3.813 -1.133 1.00 0.00 N ATOM 1333 CA TRP A 83 5.993 3.042 -2.376 1.00 0.00 C ATOM 1334 C TRP A 83 4.993 1.878 -2.407 1.00 0.00 C ATOM 1335 O TRP A 83 4.939 1.081 -1.497 1.00 0.00 O ATOM 1336 CB TRP A 83 7.442 2.539 -2.334 1.00 0.00 C ATOM 1337 CG TRP A 83 7.557 1.131 -2.817 1.00 0.00 C ATOM 1338 CD1 TRP A 83 7.175 0.054 -2.107 1.00 0.00 C ATOM 1339 CD2 TRP A 83 8.086 0.630 -4.078 1.00 0.00 C ATOM 1340 NE1 TRP A 83 7.430 -1.086 -2.851 1.00 0.00 N ATOM 1341 CE2 TRP A 83 7.995 -0.780 -4.072 1.00 0.00 C ATOM 1342 CE3 TRP A 83 8.630 1.257 -5.210 1.00 0.00 C ATOM 1343 CZ2 TRP A 83 8.430 -1.543 -5.156 1.00 0.00 C ATOM 1344 CZ3 TRP A 83 9.070 0.491 -6.303 1.00 0.00 C ATOM 1345 CH2 TRP A 83 8.971 -0.906 -6.275 1.00 0.00 C ATOM 0 H TRP A 83 5.880 3.275 -0.272 1.00 0.00 H new ATOM 0 HA TRP A 83 5.836 3.640 -3.274 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.069 3.186 -2.948 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.820 2.605 -1.314 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.741 0.075 -1.118 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.225 -2.034 -2.535 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.711 2.334 -5.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 8.349 -2.620 -5.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 9.487 0.982 -7.170 1.00 0.00 H new ATOM 0 HH2 TRP A 83 9.312 -1.489 -7.117 1.00 0.00 H new ATOM 1356 N PHE A 84 4.195 1.765 -3.433 1.00 0.00 N ATOM 1357 CA PHE A 84 3.226 0.643 -3.460 1.00 0.00 C ATOM 1358 C PHE A 84 3.413 -0.175 -4.724 1.00 0.00 C ATOM 1359 O PHE A 84 3.267 0.309 -5.826 1.00 0.00 O ATOM 1360 CB PHE A 84 1.782 1.150 -3.393 1.00 0.00 C ATOM 1361 CG PHE A 84 1.705 2.649 -3.572 1.00 0.00 C ATOM 1362 CD1 PHE A 84 2.388 3.512 -2.703 1.00 0.00 C ATOM 1363 CD2 PHE A 84 0.926 3.174 -4.606 1.00 0.00 C ATOM 1364 CE1 PHE A 84 2.293 4.897 -2.876 1.00 0.00 C ATOM 1365 CE2 PHE A 84 0.828 4.555 -4.777 1.00 0.00 C ATOM 1366 CZ PHE A 84 1.513 5.420 -3.914 1.00 0.00 C ATOM 0 H PHE A 84 4.174 2.390 -4.238 1.00 0.00 H new ATOM 0 HA PHE A 84 3.414 0.021 -2.585 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.189 0.661 -4.165 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.344 0.875 -2.433 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.987 3.108 -1.901 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.399 2.509 -5.274 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.821 5.562 -2.209 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.223 4.958 -5.576 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.439 6.489 -4.049 1.00 0.00 H new ATOM 1376 N TRP A 85 3.719 -1.426 -4.558 1.00 0.00 N ATOM 1377 CA TRP A 85 3.907 -2.310 -5.735 1.00 0.00 C ATOM 1378 C TRP A 85 2.637 -3.134 -5.930 1.00 0.00 C ATOM 1379 O TRP A 85 2.501 -4.225 -5.410 1.00 0.00 O ATOM 1380 CB TRP A 85 5.116 -3.230 -5.515 1.00 0.00 C ATOM 1381 CG TRP A 85 4.893 -4.114 -4.325 1.00 0.00 C ATOM 1382 CD1 TRP A 85 4.904 -3.709 -3.032 1.00 0.00 C ATOM 1383 CD2 TRP A 85 4.646 -5.548 -4.299 1.00 0.00 C ATOM 1384 NE1 TRP A 85 4.661 -4.800 -2.219 1.00 0.00 N ATOM 1385 CE2 TRP A 85 4.498 -5.958 -2.954 1.00 0.00 C ATOM 1386 CE3 TRP A 85 4.533 -6.522 -5.304 1.00 0.00 C ATOM 1387 CZ2 TRP A 85 4.245 -7.288 -2.618 1.00 0.00 C ATOM 1388 CZ3 TRP A 85 4.280 -7.862 -4.971 1.00 0.00 C ATOM 1389 CH2 TRP A 85 4.135 -8.244 -3.630 1.00 0.00 C ATOM 0 H TRP A 85 3.848 -1.877 -3.652 1.00 0.00 H new ATOM 0 HA TRP A 85 4.096 -1.711 -6.626 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.282 -3.840 -6.403 1.00 0.00 H new ATOM 0 HB3 TRP A 85 6.014 -2.631 -5.367 1.00 0.00 H new ATOM 0 HD1 TRP A 85 5.075 -2.698 -2.692 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.608 -4.755 -1.201 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.641 -6.238 -6.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 4.135 -7.576 -1.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 4.197 -8.603 -5.752 1.00 0.00 H new ATOM 0 HH2 TRP A 85 3.939 -9.276 -3.380 1.00 0.00 H new ATOM 1400 N LEU A 86 1.697 -2.604 -6.665 1.00 0.00 N ATOM 1401 CA LEU A 86 0.422 -3.319 -6.892 1.00 0.00 C ATOM 1402 C LEU A 86 0.682 -4.694 -7.492 1.00 0.00 C ATOM 1403 O LEU A 86 1.402 -4.840 -8.461 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.425 -2.498 -7.858 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.218 -1.438 -7.093 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -1.920 -2.073 -5.897 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -0.264 -0.345 -6.610 1.00 0.00 C ATOM 0 H LEU A 86 1.765 -1.694 -7.121 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.097 -3.448 -5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.216 -2.020 -8.599 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.107 -3.152 -8.401 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.969 -1.004 -7.753 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.482 -1.310 -5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.602 -2.849 -6.245 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.178 -2.514 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.826 0.413 -6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.488 -0.783 -5.953 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.227 0.115 -7.468 1.00 0.00 H new ATOM 1419 N VAL A 87 0.094 -5.706 -6.924 1.00 0.00 N ATOM 1420 CA VAL A 87 0.295 -7.069 -7.452 1.00 0.00 C ATOM 1421 C VAL A 87 -0.945 -7.494 -8.242 1.00 0.00 C ATOM 1422 O VAL A 87 -1.823 -6.696 -8.506 1.00 0.00 O ATOM 1423 CB VAL A 87 0.521 -8.006 -6.278 1.00 0.00 C ATOM 1424 CG1 VAL A 87 1.536 -7.382 -5.316 1.00 0.00 C ATOM 1425 CG2 VAL A 87 -0.798 -8.248 -5.545 1.00 0.00 C ATOM 0 H VAL A 87 -0.520 -5.641 -6.112 1.00 0.00 H new ATOM 0 HA VAL A 87 1.158 -7.101 -8.117 1.00 0.00 H new ATOM 0 HB VAL A 87 0.905 -8.958 -6.646 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.699 -8.054 -4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.479 -7.219 -5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.153 -6.429 -4.952 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.629 -8.921 -4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.189 -7.299 -5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.518 -8.697 -6.230 1.00 0.00 H new ATOM 1435 N GLU A 88 -1.029 -8.737 -8.632 1.00 0.00 N ATOM 1436 CA GLU A 88 -2.219 -9.180 -9.412 1.00 0.00 C ATOM 1437 C GLU A 88 -2.687 -10.563 -8.945 1.00 0.00 C ATOM 1438 O GLU A 88 -3.868 -10.845 -8.915 1.00 0.00 O ATOM 1439 CB GLU A 88 -1.854 -9.238 -10.896 1.00 0.00 C ATOM 1440 CG GLU A 88 -2.501 -8.061 -11.627 1.00 0.00 C ATOM 1441 CD GLU A 88 -2.836 -8.471 -13.063 1.00 0.00 C ATOM 1442 OE1 GLU A 88 -2.033 -9.170 -13.661 1.00 0.00 O ATOM 1443 OE2 GLU A 88 -3.889 -8.081 -13.539 1.00 0.00 O ATOM 0 H GLU A 88 -0.332 -9.459 -8.446 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.029 -8.468 -9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.771 -9.204 -11.017 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.193 -10.179 -11.328 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.406 -7.750 -11.106 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.825 -7.206 -11.630 1.00 0.00 H new ATOM 1450 N ARG A 89 -1.778 -11.430 -8.587 1.00 0.00 N ATOM 1451 CA ARG A 89 -2.191 -12.795 -8.135 1.00 0.00 C ATOM 1452 C ARG A 89 -1.289 -13.260 -6.996 1.00 0.00 C ATOM 1453 O ARG A 89 -0.370 -12.577 -6.616 1.00 0.00 O ATOM 1454 CB ARG A 89 -2.060 -13.783 -9.298 1.00 0.00 C ATOM 1455 CG ARG A 89 -2.966 -13.354 -10.454 1.00 0.00 C ATOM 1456 CD ARG A 89 -2.137 -13.239 -11.736 1.00 0.00 C ATOM 1457 NE ARG A 89 -2.159 -14.539 -12.468 1.00 0.00 N ATOM 1458 CZ ARG A 89 -2.149 -15.665 -11.805 1.00 0.00 C ATOM 1459 NH1 ARG A 89 -1.055 -16.068 -11.219 1.00 0.00 N ATOM 1460 NH2 ARG A 89 -3.233 -16.387 -11.728 1.00 0.00 N ATOM 0 H ARG A 89 -0.773 -11.256 -8.587 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.225 -12.754 -7.793 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.024 -13.827 -9.634 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.330 -14.786 -8.966 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.768 -14.080 -10.590 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.437 -12.398 -10.226 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.537 -12.447 -12.369 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.110 -12.965 -11.493 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.182 -14.549 -13.488 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.207 -15.504 -11.278 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.048 -16.947 -10.702 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.089 -16.073 -12.185 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.225 -17.266 -11.210 1.00 0.00 H new ATOM 1474 N TRP A 90 -1.536 -14.435 -6.470 1.00 0.00 N ATOM 1475 CA TRP A 90 -0.675 -14.976 -5.373 1.00 0.00 C ATOM 1476 C TRP A 90 -1.310 -16.200 -4.747 1.00 0.00 C ATOM 1477 O TRP A 90 -2.460 -16.523 -4.962 1.00 0.00 O ATOM 1478 CB TRP A 90 -0.464 -13.967 -4.253 1.00 0.00 C ATOM 1479 CG TRP A 90 -1.758 -13.695 -3.558 1.00 0.00 C ATOM 1480 CD1 TRP A 90 -2.216 -14.375 -2.481 1.00 0.00 C ATOM 1481 CD2 TRP A 90 -2.762 -12.689 -3.862 1.00 0.00 C ATOM 1482 NE1 TRP A 90 -3.437 -13.845 -2.102 1.00 0.00 N ATOM 1483 CE2 TRP A 90 -3.816 -12.803 -2.925 1.00 0.00 C ATOM 1484 CE3 TRP A 90 -2.857 -11.700 -4.850 1.00 0.00 C ATOM 1485 CZ2 TRP A 90 -4.925 -11.959 -2.967 1.00 0.00 C ATOM 1486 CZ3 TRP A 90 -3.969 -10.850 -4.896 1.00 0.00 C ATOM 1487 CH2 TRP A 90 -5.001 -10.978 -3.958 1.00 0.00 C ATOM 0 H TRP A 90 -2.302 -15.046 -6.755 1.00 0.00 H new ATOM 0 HA TRP A 90 0.281 -15.218 -5.837 1.00 0.00 H new ATOM 0 HB2 TRP A 90 0.267 -14.350 -3.541 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -0.058 -13.040 -4.659 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -1.711 -15.197 -1.996 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -3.988 -14.182 -1.313 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.068 -11.593 -5.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.717 -12.063 -2.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.031 -10.090 -5.661 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -5.855 -10.318 -4.001 1.00 0.00 H new ATOM 1498 N GLU A 91 -0.536 -16.865 -3.958 1.00 0.00 N ATOM 1499 CA GLU A 91 -1.008 -18.078 -3.257 1.00 0.00 C ATOM 1500 C GLU A 91 -0.758 -17.913 -1.760 1.00 0.00 C ATOM 1501 O GLU A 91 0.339 -18.113 -1.279 1.00 0.00 O ATOM 1502 CB GLU A 91 -0.222 -19.279 -3.762 1.00 0.00 C ATOM 1503 CG GLU A 91 -0.989 -20.547 -3.419 1.00 0.00 C ATOM 1504 CD GLU A 91 -0.039 -21.747 -3.440 1.00 0.00 C ATOM 1505 OE1 GLU A 91 0.145 -22.314 -4.506 1.00 0.00 O ATOM 1506 OE2 GLU A 91 0.486 -22.079 -2.391 1.00 0.00 O ATOM 0 H GLU A 91 0.433 -16.613 -3.762 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.072 -18.226 -3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.074 -19.207 -4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 91 0.768 -19.301 -3.305 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.447 -20.451 -2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.798 -20.699 -4.134 1.00 0.00 H new ATOM 1513 N GLY A 92 -1.760 -17.544 -1.017 1.00 0.00 N ATOM 1514 CA GLY A 92 -1.564 -17.362 0.448 1.00 0.00 C ATOM 1515 C GLY A 92 -2.235 -16.063 0.888 1.00 0.00 C ATOM 1516 O GLY A 92 -2.965 -15.446 0.140 1.00 0.00 O ATOM 0 H GLY A 92 -2.704 -17.361 -1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.988 -18.206 0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.500 -17.334 0.684 1.00 0.00 H new ATOM 1520 N GLU A 93 -1.983 -15.635 2.093 1.00 0.00 N ATOM 1521 CA GLU A 93 -2.589 -14.374 2.578 1.00 0.00 C ATOM 1522 C GLU A 93 -1.542 -13.264 2.440 1.00 0.00 C ATOM 1523 O GLU A 93 -0.596 -13.219 3.199 1.00 0.00 O ATOM 1524 CB GLU A 93 -2.968 -14.550 4.045 1.00 0.00 C ATOM 1525 CG GLU A 93 -4.420 -15.024 4.147 1.00 0.00 C ATOM 1526 CD GLU A 93 -5.266 -13.944 4.821 1.00 0.00 C ATOM 1527 OE1 GLU A 93 -5.038 -12.779 4.540 1.00 0.00 O ATOM 1528 OE2 GLU A 93 -6.129 -14.301 5.605 1.00 0.00 O ATOM 0 H GLU A 93 -1.379 -16.111 2.763 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.480 -14.118 2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.304 -15.274 4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.844 -13.608 4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.813 -15.241 3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.471 -15.950 4.719 1.00 0.00 H new ATOM 1535 N PRO A 94 -1.718 -12.421 1.454 1.00 0.00 N ATOM 1536 CA PRO A 94 -0.767 -11.333 1.171 1.00 0.00 C ATOM 1537 C PRO A 94 -0.540 -10.432 2.385 1.00 0.00 C ATOM 1538 O PRO A 94 -1.122 -10.607 3.436 1.00 0.00 O ATOM 1539 CB PRO A 94 -1.407 -10.534 0.035 1.00 0.00 C ATOM 1540 CG PRO A 94 -2.741 -11.225 -0.335 1.00 0.00 C ATOM 1541 CD PRO A 94 -2.883 -12.471 0.553 1.00 0.00 C ATOM 0 HA PRO A 94 0.213 -11.732 0.910 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -1.583 -9.504 0.344 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.743 -10.498 -0.828 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -3.580 -10.546 -0.179 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.748 -11.503 -1.389 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.818 -12.454 1.113 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.885 -13.384 -0.042 1.00 0.00 H new ATOM 1549 N TRP A 95 0.315 -9.462 2.219 1.00 0.00 N ATOM 1550 CA TRP A 95 0.623 -8.506 3.326 1.00 0.00 C ATOM 1551 C TRP A 95 0.401 -7.079 2.841 1.00 0.00 C ATOM 1552 O TRP A 95 -0.168 -6.840 1.796 1.00 0.00 O ATOM 1553 CB TRP A 95 2.092 -8.633 3.743 1.00 0.00 C ATOM 1554 CG TRP A 95 2.964 -8.602 2.523 1.00 0.00 C ATOM 1555 CD1 TRP A 95 2.989 -9.544 1.550 1.00 0.00 C ATOM 1556 CD2 TRP A 95 3.939 -7.590 2.130 1.00 0.00 C ATOM 1557 NE1 TRP A 95 3.904 -9.171 0.586 1.00 0.00 N ATOM 1558 CE2 TRP A 95 4.519 -7.979 0.900 1.00 0.00 C ATOM 1559 CE3 TRP A 95 4.371 -6.386 2.713 1.00 0.00 C ATOM 1560 CZ2 TRP A 95 5.491 -7.205 0.272 1.00 0.00 C ATOM 1561 CZ3 TRP A 95 5.353 -5.604 2.081 1.00 0.00 C ATOM 1562 CH2 TRP A 95 5.909 -6.016 0.864 1.00 0.00 C ATOM 0 H TRP A 95 0.822 -9.286 1.352 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.028 -8.736 4.170 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.361 -7.819 4.416 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.247 -9.563 4.290 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.390 -10.442 1.531 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.101 -9.712 -0.256 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.946 -6.060 3.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.918 -7.524 -0.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 5.680 -4.681 2.536 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.663 -5.411 0.384 1.00 0.00 H new ATOM 1573 N GLY A 96 0.866 -6.132 3.598 1.00 0.00 N ATOM 1574 CA GLY A 96 0.717 -4.711 3.203 1.00 0.00 C ATOM 1575 C GLY A 96 1.274 -3.834 4.323 1.00 0.00 C ATOM 1576 O GLY A 96 1.822 -2.774 4.094 1.00 0.00 O ATOM 0 H GLY A 96 1.348 -6.284 4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.250 -4.519 2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.332 -4.476 3.024 1.00 0.00 H new ATOM 1580 N LYS A 97 1.151 -4.294 5.531 1.00 0.00 N ATOM 1581 CA LYS A 97 1.678 -3.544 6.695 1.00 0.00 C ATOM 1582 C LYS A 97 2.602 -4.469 7.493 1.00 0.00 C ATOM 1583 O LYS A 97 3.286 -5.304 6.936 1.00 0.00 O ATOM 1584 CB LYS A 97 0.514 -3.097 7.577 1.00 0.00 C ATOM 1585 CG LYS A 97 0.933 -1.854 8.347 1.00 0.00 C ATOM 1586 CD LYS A 97 0.445 -1.956 9.793 1.00 0.00 C ATOM 1587 CE LYS A 97 1.469 -1.308 10.726 1.00 0.00 C ATOM 1588 NZ LYS A 97 1.014 0.065 11.085 1.00 0.00 N ATOM 0 H LYS A 97 0.697 -5.177 5.764 1.00 0.00 H new ATOM 0 HA LYS A 97 2.230 -2.666 6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.363 -2.885 6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.236 -3.893 8.268 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.018 -1.749 8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.517 -0.964 7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.521 -1.462 9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.300 -3.001 10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.589 -1.910 11.627 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.444 -1.264 10.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.710 0.506 11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.921 0.637 10.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.093 0.011 11.565 1.00 0.00 H new ATOM 1602 N GLU A 98 2.621 -4.338 8.791 1.00 0.00 N ATOM 1603 CA GLU A 98 3.492 -5.219 9.616 1.00 0.00 C ATOM 1604 C GLU A 98 2.608 -6.099 10.500 1.00 0.00 C ATOM 1605 O GLU A 98 2.915 -6.354 11.648 1.00 0.00 O ATOM 1606 CB GLU A 98 4.401 -4.357 10.493 1.00 0.00 C ATOM 1607 CG GLU A 98 5.065 -3.279 9.634 1.00 0.00 C ATOM 1608 CD GLU A 98 5.823 -2.303 10.534 1.00 0.00 C ATOM 1609 OE1 GLU A 98 5.170 -1.535 11.223 1.00 0.00 O ATOM 1610 OE2 GLU A 98 7.042 -2.338 10.520 1.00 0.00 O ATOM 0 H GLU A 98 2.070 -3.658 9.315 1.00 0.00 H new ATOM 0 HA GLU A 98 4.107 -5.846 8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.821 -3.895 11.292 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.161 -4.978 10.968 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.749 -3.738 8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.311 -2.745 9.055 1.00 0.00 H new ATOM 1617 N GLY A 99 1.505 -6.557 9.974 1.00 0.00 N ATOM 1618 CA GLY A 99 0.589 -7.414 10.780 1.00 0.00 C ATOM 1619 C GLY A 99 -0.623 -6.587 11.210 1.00 0.00 C ATOM 1620 O GLY A 99 -0.927 -6.475 12.380 1.00 0.00 O ATOM 0 H GLY A 99 1.198 -6.374 9.019 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.268 -8.275 10.194 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.110 -7.801 11.656 1.00 0.00 H new ATOM 1624 N GLN A 100 -1.313 -5.998 10.271 1.00 0.00 N ATOM 1625 CA GLN A 100 -2.501 -5.171 10.626 1.00 0.00 C ATOM 1626 C GLN A 100 -3.754 -5.749 9.959 1.00 0.00 C ATOM 1627 O GLN A 100 -3.672 -6.371 8.918 1.00 0.00 O ATOM 1628 CB GLN A 100 -2.281 -3.740 10.140 1.00 0.00 C ATOM 1629 CG GLN A 100 -2.272 -2.791 11.340 1.00 0.00 C ATOM 1630 CD GLN A 100 -3.024 -1.507 10.985 1.00 0.00 C ATOM 1631 OE1 GLN A 100 -3.539 -0.831 11.852 1.00 0.00 O ATOM 1632 NE2 GLN A 100 -3.112 -1.140 9.735 1.00 0.00 N ATOM 0 H GLN A 100 -1.105 -6.054 9.274 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.636 -5.176 11.708 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.337 -3.669 9.599 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -3.070 -3.456 9.443 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.739 -3.272 12.200 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.246 -2.557 11.623 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.680 -1.707 9.005 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.613 -0.286 9.488 1.00 0.00 H new ATOM 1641 N PRO A 101 -4.881 -5.523 10.588 1.00 0.00 N ATOM 1642 CA PRO A 101 -6.178 -6.010 10.083 1.00 0.00 C ATOM 1643 C PRO A 101 -6.544 -5.295 8.780 1.00 0.00 C ATOM 1644 O PRO A 101 -7.054 -4.192 8.791 1.00 0.00 O ATOM 1645 CB PRO A 101 -7.184 -5.649 11.184 1.00 0.00 C ATOM 1646 CG PRO A 101 -6.438 -4.794 12.239 1.00 0.00 C ATOM 1647 CD PRO A 101 -4.951 -4.768 11.851 1.00 0.00 C ATOM 0 HA PRO A 101 -6.162 -7.078 9.867 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.025 -5.095 10.767 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.592 -6.551 11.641 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.844 -3.783 12.268 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.566 -5.218 13.235 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -4.593 -3.747 11.722 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -4.332 -5.228 12.622 1.00 0.00 H new ATOM 1655 N GLY A 102 -6.300 -5.912 7.657 1.00 0.00 N ATOM 1656 CA GLY A 102 -6.650 -5.259 6.365 1.00 0.00 C ATOM 1657 C GLY A 102 -8.133 -5.488 6.075 1.00 0.00 C ATOM 1658 O GLY A 102 -8.864 -5.982 6.910 1.00 0.00 O ATOM 0 H GLY A 102 -5.875 -6.836 7.578 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.437 -4.191 6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.041 -5.669 5.559 1.00 0.00 H new ATOM 1662 N GLU A 103 -8.591 -5.139 4.904 1.00 0.00 N ATOM 1663 CA GLU A 103 -10.027 -5.350 4.587 1.00 0.00 C ATOM 1664 C GLU A 103 -10.180 -5.657 3.099 1.00 0.00 C ATOM 1665 O GLU A 103 -9.763 -4.895 2.250 1.00 0.00 O ATOM 1666 CB GLU A 103 -10.820 -4.086 4.936 1.00 0.00 C ATOM 1667 CG GLU A 103 -10.113 -2.859 4.356 1.00 0.00 C ATOM 1668 CD GLU A 103 -10.308 -1.667 5.296 1.00 0.00 C ATOM 1669 OE1 GLU A 103 -11.345 -1.607 5.937 1.00 0.00 O ATOM 1670 OE2 GLU A 103 -9.418 -0.835 5.360 1.00 0.00 O ATOM 0 H GLU A 103 -8.035 -4.720 4.159 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.409 -6.188 5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.832 -4.158 4.537 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.910 -3.988 6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.050 -3.065 4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.514 -2.627 3.369 1.00 0.00 H new ATOM 1677 N TRP A 104 -10.774 -6.772 2.775 1.00 0.00 N ATOM 1678 CA TRP A 104 -10.952 -7.127 1.340 1.00 0.00 C ATOM 1679 C TRP A 104 -12.120 -6.324 0.769 1.00 0.00 C ATOM 1680 O TRP A 104 -13.240 -6.792 0.709 1.00 0.00 O ATOM 1681 CB TRP A 104 -11.257 -8.622 1.211 1.00 0.00 C ATOM 1682 CG TRP A 104 -10.299 -9.406 2.049 1.00 0.00 C ATOM 1683 CD1 TRP A 104 -10.507 -9.769 3.335 1.00 0.00 C ATOM 1684 CD2 TRP A 104 -8.991 -9.933 1.681 1.00 0.00 C ATOM 1685 NE1 TRP A 104 -9.409 -10.483 3.781 1.00 0.00 N ATOM 1686 CE2 TRP A 104 -8.448 -10.610 2.799 1.00 0.00 C ATOM 1687 CE3 TRP A 104 -8.229 -9.889 0.498 1.00 0.00 C ATOM 1688 CZ2 TRP A 104 -7.194 -11.223 2.745 1.00 0.00 C ATOM 1689 CZ3 TRP A 104 -6.968 -10.504 0.441 1.00 0.00 C ATOM 1690 CH2 TRP A 104 -6.452 -11.169 1.562 1.00 0.00 C ATOM 0 H TRP A 104 -11.143 -7.451 3.441 1.00 0.00 H new ATOM 0 HA TRP A 104 -10.038 -6.897 0.792 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -12.281 -8.823 1.528 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -11.180 -8.930 0.168 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -11.386 -9.539 3.918 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -9.321 -10.869 4.721 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -8.617 -9.379 -0.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -6.801 -11.735 3.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -6.392 -10.464 -0.472 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -5.481 -11.640 1.511 1.00 0.00 H new ATOM 1701 N MET A 105 -11.868 -5.113 0.350 1.00 0.00 N ATOM 1702 CA MET A 105 -12.962 -4.276 -0.215 1.00 0.00 C ATOM 1703 C MET A 105 -13.205 -4.680 -1.670 1.00 0.00 C ATOM 1704 O MET A 105 -12.302 -5.095 -2.368 1.00 0.00 O ATOM 1705 CB MET A 105 -12.556 -2.801 -0.146 1.00 0.00 C ATOM 1706 CG MET A 105 -13.503 -1.967 -1.010 1.00 0.00 C ATOM 1707 SD MET A 105 -13.194 -0.208 -0.714 1.00 0.00 S ATOM 1708 CE MET A 105 -11.387 -0.297 -0.655 1.00 0.00 C ATOM 0 H MET A 105 -10.950 -4.668 0.375 1.00 0.00 H new ATOM 0 HA MET A 105 -13.877 -4.425 0.358 1.00 0.00 H new ATOM 0 HB2 MET A 105 -12.588 -2.453 0.886 1.00 0.00 H new ATOM 0 HB3 MET A 105 -11.530 -2.679 -0.492 1.00 0.00 H new ATOM 0 HG2 MET A 105 -13.353 -2.202 -2.064 1.00 0.00 H new ATOM 0 HG3 MET A 105 -14.539 -2.211 -0.773 1.00 0.00 H new ATOM 0 HE1 MET A 105 -10.969 0.702 -0.782 1.00 0.00 H new ATOM 0 HE2 MET A 105 -11.074 -0.702 0.307 1.00 0.00 H new ATOM 0 HE3 MET A 105 -11.028 -0.944 -1.455 1.00 0.00 H new ATOM 1718 N SER A 106 -14.418 -4.570 -2.133 1.00 0.00 N ATOM 1719 CA SER A 106 -14.714 -4.959 -3.539 1.00 0.00 C ATOM 1720 C SER A 106 -13.872 -4.121 -4.501 1.00 0.00 C ATOM 1721 O SER A 106 -13.373 -3.068 -4.157 1.00 0.00 O ATOM 1722 CB SER A 106 -16.197 -4.730 -3.831 1.00 0.00 C ATOM 1723 OG SER A 106 -16.689 -5.797 -4.632 1.00 0.00 O ATOM 0 H SER A 106 -15.217 -4.228 -1.599 1.00 0.00 H new ATOM 0 HA SER A 106 -14.472 -6.013 -3.675 1.00 0.00 H new ATOM 0 HB2 SER A 106 -16.758 -4.672 -2.898 1.00 0.00 H new ATOM 0 HB3 SER A 106 -16.335 -3.780 -4.346 1.00 0.00 H new ATOM 0 HG SER A 106 -17.640 -5.654 -4.819 1.00 0.00 H new ATOM 1729 N LEU A 107 -13.718 -4.582 -5.710 1.00 0.00 N ATOM 1730 CA LEU A 107 -12.919 -3.826 -6.710 1.00 0.00 C ATOM 1731 C LEU A 107 -13.732 -3.713 -8.000 1.00 0.00 C ATOM 1732 O LEU A 107 -13.432 -4.339 -8.994 1.00 0.00 O ATOM 1733 CB LEU A 107 -11.603 -4.572 -6.977 1.00 0.00 C ATOM 1734 CG LEU A 107 -10.682 -3.765 -7.911 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -10.922 -4.186 -9.361 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -10.947 -2.261 -7.769 1.00 0.00 C ATOM 0 H LEU A 107 -14.115 -5.458 -6.050 1.00 0.00 H new ATOM 0 HA LEU A 107 -12.689 -2.828 -6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -11.092 -4.761 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -11.817 -5.543 -7.424 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.648 -3.967 -7.633 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -10.269 -3.613 -10.019 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -10.707 -5.249 -9.472 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.962 -3.997 -9.627 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.285 -1.710 -8.438 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.984 -2.048 -8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.760 -1.954 -6.740 1.00 0.00 H new ATOM 1748 N VAL A 108 -14.770 -2.926 -7.984 1.00 0.00 N ATOM 1749 CA VAL A 108 -15.615 -2.781 -9.205 1.00 0.00 C ATOM 1750 C VAL A 108 -15.300 -1.454 -9.898 1.00 0.00 C ATOM 1751 O VAL A 108 -15.167 -1.390 -11.104 1.00 0.00 O ATOM 1752 CB VAL A 108 -17.092 -2.814 -8.806 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -17.967 -2.621 -10.047 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -17.413 -4.166 -8.164 1.00 0.00 C ATOM 0 H VAL A 108 -15.071 -2.376 -7.179 1.00 0.00 H new ATOM 0 HA VAL A 108 -15.404 -3.601 -9.891 1.00 0.00 H new ATOM 0 HB VAL A 108 -17.292 -2.012 -8.095 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -19.018 -2.645 -9.759 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -17.739 -1.660 -10.507 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -17.768 -3.421 -10.760 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -18.465 -4.193 -7.879 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.210 -4.965 -8.877 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -16.793 -4.305 -7.278 1.00 0.00 H new ATOM 1764 N GLY A 109 -15.176 -0.396 -9.147 1.00 0.00 N ATOM 1765 CA GLY A 109 -14.867 0.923 -9.765 1.00 0.00 C ATOM 1766 C GLY A 109 -13.867 1.663 -8.882 1.00 0.00 C ATOM 1767 O GLY A 109 -14.068 2.805 -8.521 1.00 0.00 O ATOM 0 H GLY A 109 -15.275 -0.388 -8.132 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.455 0.783 -10.765 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -15.779 1.510 -9.875 1.00 0.00 H new ATOM 1771 N LEU A 110 -12.790 1.016 -8.526 1.00 0.00 N ATOM 1772 CA LEU A 110 -11.779 1.670 -7.662 1.00 0.00 C ATOM 1773 C LEU A 110 -11.553 3.105 -8.129 1.00 0.00 C ATOM 1774 O LEU A 110 -11.533 3.393 -9.309 1.00 0.00 O ATOM 1775 CB LEU A 110 -10.465 0.902 -7.757 1.00 0.00 C ATOM 1776 CG LEU A 110 -10.079 0.378 -6.376 1.00 0.00 C ATOM 1777 CD1 LEU A 110 -8.744 -0.363 -6.464 1.00 0.00 C ATOM 1778 CD2 LEU A 110 -9.947 1.553 -5.402 1.00 0.00 C ATOM 0 H LEU A 110 -12.571 0.058 -8.800 1.00 0.00 H new ATOM 0 HA LEU A 110 -12.134 1.675 -6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -10.566 0.073 -8.457 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.679 1.551 -8.144 1.00 0.00 H new ATOM 0 HG LEU A 110 -10.850 -0.305 -6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.470 -0.737 -5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.837 -1.200 -7.156 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.972 0.319 -6.821 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.671 1.179 -4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.177 2.237 -5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -10.899 2.080 -5.337 1.00 0.00 H new ATOM 1790 N ASN A 111 -11.378 4.005 -7.208 1.00 0.00 N ATOM 1791 CA ASN A 111 -11.146 5.424 -7.582 1.00 0.00 C ATOM 1792 C ASN A 111 -10.435 6.132 -6.430 1.00 0.00 C ATOM 1793 O ASN A 111 -10.048 5.517 -5.457 1.00 0.00 O ATOM 1794 CB ASN A 111 -12.488 6.104 -7.853 1.00 0.00 C ATOM 1795 CG ASN A 111 -12.378 6.982 -9.101 1.00 0.00 C ATOM 1796 OD1 ASN A 111 -11.848 6.561 -10.111 1.00 0.00 O ATOM 1797 ND2 ASN A 111 -12.860 8.195 -9.076 1.00 0.00 N ATOM 0 H ASN A 111 -11.386 3.818 -6.205 1.00 0.00 H new ATOM 0 HA ASN A 111 -10.530 5.475 -8.480 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -13.266 5.353 -7.992 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -12.780 6.710 -6.995 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -12.792 8.788 -9.903 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -13.305 8.550 -8.229 1.00 0.00 H new ATOM 1804 N ALA A 112 -10.258 7.418 -6.531 1.00 0.00 N ATOM 1805 CA ALA A 112 -9.569 8.162 -5.439 1.00 0.00 C ATOM 1806 C ALA A 112 -10.558 8.446 -4.302 1.00 0.00 C ATOM 1807 O ALA A 112 -10.178 8.890 -3.236 1.00 0.00 O ATOM 1808 CB ALA A 112 -9.044 9.489 -5.987 1.00 0.00 C ATOM 0 H ALA A 112 -10.560 7.987 -7.322 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.742 7.562 -5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.539 10.037 -5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.341 9.295 -6.797 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -9.877 10.082 -6.364 1.00 0.00 H new ATOM 1814 N ASP A 113 -11.826 8.211 -4.522 1.00 0.00 N ATOM 1815 CA ASP A 113 -12.828 8.484 -3.467 1.00 0.00 C ATOM 1816 C ASP A 113 -12.631 7.538 -2.277 1.00 0.00 C ATOM 1817 O ASP A 113 -12.794 7.928 -1.139 1.00 0.00 O ATOM 1818 CB ASP A 113 -14.227 8.291 -4.049 1.00 0.00 C ATOM 1819 CG ASP A 113 -14.256 7.065 -4.964 1.00 0.00 C ATOM 1820 OD1 ASP A 113 -13.948 5.986 -4.487 1.00 0.00 O ATOM 1821 OD2 ASP A 113 -14.590 7.228 -6.125 1.00 0.00 O ATOM 0 H ASP A 113 -12.205 7.840 -5.393 1.00 0.00 H new ATOM 0 HA ASP A 113 -12.706 9.509 -3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.950 8.169 -3.243 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -14.521 9.179 -4.609 1.00 0.00 H new ATOM 1826 N ASP A 114 -12.285 6.302 -2.521 1.00 0.00 N ATOM 1827 CA ASP A 114 -12.090 5.357 -1.390 1.00 0.00 C ATOM 1828 C ASP A 114 -10.606 5.280 -1.041 1.00 0.00 C ATOM 1829 O ASP A 114 -10.135 4.284 -0.541 1.00 0.00 O ATOM 1830 CB ASP A 114 -12.587 3.965 -1.785 1.00 0.00 C ATOM 1831 CG ASP A 114 -13.834 3.614 -0.972 1.00 0.00 C ATOM 1832 OD1 ASP A 114 -13.971 4.138 0.121 1.00 0.00 O ATOM 1833 OD2 ASP A 114 -14.630 2.826 -1.455 1.00 0.00 O ATOM 0 H ASP A 114 -12.130 5.910 -3.450 1.00 0.00 H new ATOM 0 HA ASP A 114 -12.654 5.711 -0.527 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -12.816 3.939 -2.850 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -11.806 3.226 -1.609 1.00 0.00 H new ATOM 1838 N PHE A 115 -9.867 6.321 -1.295 1.00 0.00 N ATOM 1839 CA PHE A 115 -8.415 6.295 -0.963 1.00 0.00 C ATOM 1840 C PHE A 115 -7.970 7.695 -0.545 1.00 0.00 C ATOM 1841 O PHE A 115 -7.572 8.491 -1.372 1.00 0.00 O ATOM 1842 CB PHE A 115 -7.608 5.839 -2.179 1.00 0.00 C ATOM 1843 CG PHE A 115 -7.172 4.407 -1.980 1.00 0.00 C ATOM 1844 CD1 PHE A 115 -6.491 4.032 -0.813 1.00 0.00 C ATOM 1845 CD2 PHE A 115 -7.457 3.450 -2.959 1.00 0.00 C ATOM 1846 CE1 PHE A 115 -6.097 2.701 -0.633 1.00 0.00 C ATOM 1847 CE2 PHE A 115 -7.066 2.120 -2.776 1.00 0.00 C ATOM 1848 CZ PHE A 115 -6.386 1.745 -1.613 1.00 0.00 C ATOM 0 H PHE A 115 -10.203 7.187 -1.717 1.00 0.00 H new ATOM 0 HA PHE A 115 -8.244 5.596 -0.144 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -8.211 5.925 -3.083 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -6.737 6.481 -2.314 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -6.271 4.769 -0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -7.980 3.739 -3.859 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -5.569 2.411 0.264 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -7.289 1.382 -3.533 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.084 0.718 -1.471 1.00 0.00 H new ATOM 1858 N PRO A 116 -8.075 7.954 0.743 1.00 0.00 N ATOM 1859 CA PRO A 116 -7.706 9.251 1.349 1.00 0.00 C ATOM 1860 C PRO A 116 -6.304 9.314 2.021 1.00 0.00 C ATOM 1861 O PRO A 116 -6.163 9.994 3.019 1.00 0.00 O ATOM 1862 CB PRO A 116 -8.756 9.378 2.456 1.00 0.00 C ATOM 1863 CG PRO A 116 -9.249 7.935 2.773 1.00 0.00 C ATOM 1864 CD PRO A 116 -8.654 7.009 1.699 1.00 0.00 C ATOM 0 HA PRO A 116 -7.671 10.026 0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.328 9.844 3.343 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -9.585 10.008 2.133 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -8.927 7.628 3.768 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -10.338 7.889 2.762 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.900 6.340 2.114 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.417 6.382 1.237 1.00 0.00 H new ATOM 1872 N PRO A 117 -5.311 8.656 1.486 1.00 0.00 N ATOM 1873 CA PRO A 117 -3.954 8.697 2.063 1.00 0.00 C ATOM 1874 C PRO A 117 -3.302 10.054 1.777 1.00 0.00 C ATOM 1875 O PRO A 117 -2.175 10.300 2.157 1.00 0.00 O ATOM 1876 CB PRO A 117 -3.194 7.602 1.314 1.00 0.00 C ATOM 1877 CG PRO A 117 -4.061 7.212 0.096 1.00 0.00 C ATOM 1878 CD PRO A 117 -5.438 7.819 0.300 1.00 0.00 C ATOM 0 HA PRO A 117 -3.957 8.554 3.144 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -2.216 7.960 0.994 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -3.022 6.740 1.959 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -3.613 7.580 -0.827 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -4.130 6.128 0.006 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.742 8.406 -0.566 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -6.193 7.046 0.442 1.00 0.00 H new ATOM 1886 N ALA A 118 -3.994 10.921 1.084 1.00 0.00 N ATOM 1887 CA ALA A 118 -3.411 12.251 0.740 1.00 0.00 C ATOM 1888 C ALA A 118 -2.488 12.076 -0.466 1.00 0.00 C ATOM 1889 O ALA A 118 -1.566 12.836 -0.677 1.00 0.00 O ATOM 1890 CB ALA A 118 -2.611 12.794 1.928 1.00 0.00 C ATOM 0 H ALA A 118 -4.941 10.764 0.741 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.208 12.957 0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -2.189 13.765 1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -3.269 12.903 2.790 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.805 12.101 2.171 1.00 0.00 H new ATOM 1896 N ASN A 119 -2.732 11.065 -1.254 1.00 0.00 N ATOM 1897 CA ASN A 119 -1.897 10.799 -2.439 1.00 0.00 C ATOM 1898 C ASN A 119 -2.690 11.165 -3.692 1.00 0.00 C ATOM 1899 O ASN A 119 -2.680 10.466 -4.673 1.00 0.00 O ATOM 1900 CB ASN A 119 -1.570 9.313 -2.453 1.00 0.00 C ATOM 1901 CG ASN A 119 -0.444 9.028 -1.458 1.00 0.00 C ATOM 1902 OD1 ASN A 119 -0.523 8.095 -0.684 1.00 0.00 O ATOM 1903 ND2 ASN A 119 0.608 9.800 -1.442 1.00 0.00 N ATOM 0 H ASN A 119 -3.495 10.402 -1.115 1.00 0.00 H new ATOM 0 HA ASN A 119 -0.979 11.386 -2.412 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -2.455 8.733 -2.192 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -1.271 9.005 -3.455 1.00 0.00 H new ATOM 0 HD21 ASN A 119 1.363 9.620 -0.780 1.00 0.00 H new ATOM 0 HD22 ASN A 119 0.675 10.584 -2.091 1.00 0.00 H new ATOM 1910 N GLU A 120 -3.384 12.259 -3.655 1.00 0.00 N ATOM 1911 CA GLU A 120 -4.195 12.679 -4.836 1.00 0.00 C ATOM 1912 C GLU A 120 -3.394 12.583 -6.155 1.00 0.00 C ATOM 1913 O GLU A 120 -3.925 12.128 -7.147 1.00 0.00 O ATOM 1914 CB GLU A 120 -4.680 14.119 -4.635 1.00 0.00 C ATOM 1915 CG GLU A 120 -5.589 14.185 -3.406 1.00 0.00 C ATOM 1916 CD GLU A 120 -6.872 14.937 -3.760 1.00 0.00 C ATOM 1917 OE1 GLU A 120 -6.773 16.097 -4.125 1.00 0.00 O ATOM 1918 OE2 GLU A 120 -7.932 14.340 -3.662 1.00 0.00 O ATOM 0 H GLU A 120 -3.429 12.890 -2.855 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.044 12.000 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.828 14.786 -4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -5.220 14.459 -5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -5.828 13.178 -3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.075 14.687 -2.587 1.00 0.00 H new ATOM 1925 N PRO A 121 -2.157 13.036 -6.150 1.00 0.00 N ATOM 1926 CA PRO A 121 -1.315 13.022 -7.366 1.00 0.00 C ATOM 1927 C PRO A 121 -1.065 11.598 -7.895 1.00 0.00 C ATOM 1928 O PRO A 121 -1.058 11.379 -9.090 1.00 0.00 O ATOM 1929 CB PRO A 121 0.006 13.676 -6.942 1.00 0.00 C ATOM 1930 CG PRO A 121 -0.135 14.098 -5.460 1.00 0.00 C ATOM 1931 CD PRO A 121 -1.496 13.594 -4.958 1.00 0.00 C ATOM 0 HA PRO A 121 -1.806 13.551 -8.183 1.00 0.00 H new ATOM 0 HB2 PRO A 121 0.835 12.979 -7.064 1.00 0.00 H new ATOM 0 HB3 PRO A 121 0.223 14.542 -7.568 1.00 0.00 H new ATOM 0 HG2 PRO A 121 0.673 13.675 -4.863 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -0.069 15.182 -5.363 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -1.376 12.837 -4.183 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -2.082 14.404 -4.524 1.00 0.00 H new ATOM 1939 N VAL A 122 -0.855 10.624 -7.043 1.00 0.00 N ATOM 1940 CA VAL A 122 -0.609 9.256 -7.550 1.00 0.00 C ATOM 1941 C VAL A 122 -1.961 8.548 -7.664 1.00 0.00 C ATOM 1942 O VAL A 122 -2.342 8.071 -8.712 1.00 0.00 O ATOM 1943 CB VAL A 122 0.328 8.551 -6.564 1.00 0.00 C ATOM 1944 CG1 VAL A 122 -0.008 7.071 -6.468 1.00 0.00 C ATOM 1945 CG2 VAL A 122 1.769 8.713 -7.047 1.00 0.00 C ATOM 0 H VAL A 122 -0.845 10.724 -6.028 1.00 0.00 H new ATOM 0 HA VAL A 122 -0.137 9.254 -8.532 1.00 0.00 H new ATOM 0 HB VAL A 122 0.207 8.999 -5.578 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.669 6.589 -5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.035 6.953 -6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.101 6.609 -7.449 1.00 0.00 H new ATOM 0 HG21 VAL A 122 2.444 8.214 -6.351 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.873 8.268 -8.036 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.019 9.773 -7.098 1.00 0.00 H new ATOM 1955 N ILE A 123 -2.692 8.511 -6.595 1.00 0.00 N ATOM 1956 CA ILE A 123 -4.035 7.887 -6.617 1.00 0.00 C ATOM 1957 C ILE A 123 -4.758 8.338 -7.882 1.00 0.00 C ATOM 1958 O ILE A 123 -5.527 7.605 -8.471 1.00 0.00 O ATOM 1959 CB ILE A 123 -4.807 8.375 -5.399 1.00 0.00 C ATOM 1960 CG1 ILE A 123 -4.073 7.929 -4.131 1.00 0.00 C ATOM 1961 CG2 ILE A 123 -6.217 7.794 -5.424 1.00 0.00 C ATOM 1962 CD1 ILE A 123 -4.358 6.451 -3.861 1.00 0.00 C ATOM 0 H ILE A 123 -2.412 8.893 -5.692 1.00 0.00 H new ATOM 0 HA ILE A 123 -3.957 6.800 -6.602 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.875 9.463 -5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -3.001 8.087 -4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.395 8.532 -3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -6.770 8.143 -4.552 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -6.728 8.117 -6.331 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -6.162 6.706 -5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -3.834 6.138 -2.958 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.430 6.306 -3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -4.014 5.854 -4.705 1.00 0.00 H new ATOM 1974 N ALA A 124 -4.511 9.549 -8.305 1.00 0.00 N ATOM 1975 CA ALA A 124 -5.179 10.052 -9.534 1.00 0.00 C ATOM 1976 C ALA A 124 -4.955 9.050 -10.663 1.00 0.00 C ATOM 1977 O ALA A 124 -5.882 8.597 -11.305 1.00 0.00 O ATOM 1978 CB ALA A 124 -4.583 11.406 -9.926 1.00 0.00 C ATOM 0 H ALA A 124 -3.877 10.208 -7.852 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.247 10.171 -9.351 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.074 11.773 -10.827 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.734 12.118 -9.115 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.516 11.293 -10.115 1.00 0.00 H new ATOM 1984 N LYS A 125 -3.724 8.700 -10.905 1.00 0.00 N ATOM 1985 CA LYS A 125 -3.423 7.724 -11.988 1.00 0.00 C ATOM 1986 C LYS A 125 -4.058 6.370 -11.657 1.00 0.00 C ATOM 1987 O LYS A 125 -4.628 5.718 -12.510 1.00 0.00 O ATOM 1988 CB LYS A 125 -1.908 7.561 -12.115 1.00 0.00 C ATOM 1989 CG LYS A 125 -1.374 8.546 -13.156 1.00 0.00 C ATOM 1990 CD LYS A 125 -0.723 9.737 -12.449 1.00 0.00 C ATOM 1991 CE LYS A 125 -0.867 10.987 -13.317 1.00 0.00 C ATOM 1992 NZ LYS A 125 -0.442 10.675 -14.709 1.00 0.00 N ATOM 0 H LYS A 125 -2.911 9.049 -10.398 1.00 0.00 H new ATOM 0 HA LYS A 125 -3.832 8.090 -12.929 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.430 7.739 -11.152 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -1.665 6.539 -12.407 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.647 8.051 -13.801 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -2.186 8.890 -13.796 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.193 9.899 -11.479 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.331 9.531 -12.262 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -1.901 11.331 -13.309 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -0.259 11.796 -12.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -0.165 11.553 -15.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 0.367 10.022 -14.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -1.231 10.232 -15.222 1.00 0.00 H new ATOM 2006 N LEU A 126 -3.963 5.937 -10.427 1.00 0.00 N ATOM 2007 CA LEU A 126 -4.550 4.634 -10.040 1.00 0.00 C ATOM 2008 C LEU A 126 -6.069 4.687 -10.141 1.00 0.00 C ATOM 2009 O LEU A 126 -6.741 3.694 -9.956 1.00 0.00 O ATOM 2010 CB LEU A 126 -4.164 4.343 -8.603 1.00 0.00 C ATOM 2011 CG LEU A 126 -2.655 4.496 -8.443 1.00 0.00 C ATOM 2012 CD1 LEU A 126 -2.343 5.159 -7.101 1.00 0.00 C ATOM 2013 CD2 LEU A 126 -2.009 3.114 -8.491 1.00 0.00 C ATOM 0 H LEU A 126 -3.498 6.440 -9.672 1.00 0.00 H new ATOM 0 HA LEU A 126 -4.178 3.856 -10.707 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -4.683 5.025 -7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -4.469 3.333 -8.330 1.00 0.00 H new ATOM 0 HG LEU A 126 -2.262 5.117 -9.248 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.264 5.267 -6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.811 6.143 -7.063 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.731 4.541 -6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.929 3.213 -8.377 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.404 2.499 -7.682 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -2.231 2.641 -9.448 1.00 0.00 H new ATOM 2025 N LYS A 127 -6.623 5.828 -10.427 1.00 0.00 N ATOM 2026 CA LYS A 127 -8.089 5.919 -10.538 1.00 0.00 C ATOM 2027 C LYS A 127 -8.556 4.907 -11.583 1.00 0.00 C ATOM 2028 O LYS A 127 -9.449 4.119 -11.346 1.00 0.00 O ATOM 2029 CB LYS A 127 -8.445 7.338 -10.962 1.00 0.00 C ATOM 2030 CG LYS A 127 -8.277 8.265 -9.759 1.00 0.00 C ATOM 2031 CD LYS A 127 -9.006 9.582 -10.011 1.00 0.00 C ATOM 2032 CE LYS A 127 -8.627 10.584 -8.919 1.00 0.00 C ATOM 2033 NZ LYS A 127 -8.254 11.883 -9.545 1.00 0.00 N ATOM 0 H LYS A 127 -6.118 6.699 -10.588 1.00 0.00 H new ATOM 0 HA LYS A 127 -8.577 5.697 -9.589 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -7.801 7.661 -11.780 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -9.471 7.377 -11.329 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -8.672 7.787 -8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -7.219 8.454 -9.580 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -8.740 9.977 -10.992 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -10.084 9.420 -10.014 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -9.463 10.725 -8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -7.794 10.199 -8.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -7.948 12.549 -8.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -7.477 11.733 -10.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -9.077 12.276 -10.046 1.00 0.00 H new ATOM 2047 N ARG A 128 -7.940 4.912 -12.733 1.00 0.00 N ATOM 2048 CA ARG A 128 -8.312 3.958 -13.787 1.00 0.00 C ATOM 2049 C ARG A 128 -7.463 2.689 -13.634 1.00 0.00 C ATOM 2050 O ARG A 128 -7.088 2.061 -14.603 1.00 0.00 O ATOM 2051 CB ARG A 128 -8.030 4.611 -15.134 1.00 0.00 C ATOM 2052 CG ARG A 128 -8.857 5.892 -15.265 1.00 0.00 C ATOM 2053 CD ARG A 128 -8.039 6.956 -15.998 1.00 0.00 C ATOM 2054 NE ARG A 128 -8.202 6.781 -17.468 1.00 0.00 N ATOM 2055 CZ ARG A 128 -7.839 7.733 -18.286 1.00 0.00 C ATOM 2056 NH1 ARG A 128 -8.059 8.982 -17.975 1.00 0.00 N ATOM 2057 NH2 ARG A 128 -7.257 7.436 -19.415 1.00 0.00 N ATOM 0 H ARG A 128 -7.184 5.551 -12.980 1.00 0.00 H new ATOM 0 HA ARG A 128 -9.366 3.691 -13.715 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -6.968 4.841 -15.223 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -8.276 3.922 -15.942 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -9.779 5.688 -15.810 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -9.144 6.255 -14.278 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -8.368 7.952 -15.701 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -6.987 6.873 -15.725 1.00 0.00 H new ATOM 0 HE ARG A 128 -8.598 5.916 -17.837 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -8.515 9.215 -17.093 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -7.775 9.724 -18.614 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -7.085 6.461 -19.659 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -6.974 8.179 -20.054 1.00 0.00 H new ATOM 2071 N LEU A 129 -7.157 2.315 -12.416 1.00 0.00 N ATOM 2072 CA LEU A 129 -6.336 1.101 -12.176 1.00 0.00 C ATOM 2073 C LEU A 129 -6.755 -0.010 -13.141 1.00 0.00 C ATOM 2074 O LEU A 129 -5.911 -0.825 -13.478 1.00 0.00 O ATOM 2075 CB LEU A 129 -6.564 0.645 -10.737 1.00 0.00 C ATOM 2076 CG LEU A 129 -5.469 1.209 -9.827 1.00 0.00 C ATOM 2077 CD1 LEU A 129 -6.040 1.447 -8.426 1.00 0.00 C ATOM 2078 CD2 LEU A 129 -4.312 0.210 -9.733 1.00 0.00 C ATOM 2079 OXT LEU A 129 -7.911 -0.026 -13.529 1.00 0.00 O ATOM 0 H LEU A 129 -7.447 2.809 -11.572 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.282 1.325 -12.338 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -7.542 0.979 -10.392 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -6.564 -0.444 -10.688 1.00 0.00 H new ATOM 0 HG LEU A 129 -5.108 2.150 -10.242 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.260 1.848 -7.779 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -6.864 2.158 -8.485 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -6.402 0.504 -8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -3.534 0.614 -9.085 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -4.676 -0.731 -9.320 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -3.901 0.035 -10.727 1.00 0.00 H new