USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 33 SER OG : rot 180:sc= -0.0296 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.0241 X(o=-0.024,f=-0.12) USER MOD Single : A 17 HIS : no HD1:sc= -1.96! X(o=-2!,f=-2.3) USER MOD Single : A 21 GLN : amide:sc= -0.0143 K(o=-0.014,f=-0.74) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.492 X(o=-0.49,f=-0.055) USER MOD Single : A 55 ASN : amide:sc= -9.66! C(o=-9.7!,f=-11!) USER MOD Single : A 57 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.75) USER MOD Single : A 58 SER OG : rot 37:sc= 0.486 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0173 USER MOD Single : A 64 HIS : no HD1:sc= -8.35! C(o=-8.3!,f=-8.1!) USER MOD Single : A 72 THR OG1 : rot 98:sc= 1.25 USER MOD Single : A 75 TYR OH : rot 116:sc= 0.75 USER MOD Single : A 79 HIS : no HD1:sc= 1.13 K(o=1.1,f=-3.9!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00835 USER MOD Single : A 83 MET CE :methyl 159:sc= 0 (180deg=-0.724) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 100:sc= -0.275 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -3.350 6.922 -11.133 1.00 0.00 N ATOM 67 CA VAL A 8 -2.874 6.081 -10.041 1.00 0.00 C ATOM 68 C VAL A 8 -3.610 6.396 -8.744 1.00 0.00 C ATOM 69 O VAL A 8 -3.784 7.560 -8.382 1.00 0.00 O ATOM 70 CB VAL A 8 -1.361 6.257 -9.816 1.00 0.00 C ATOM 71 CG1 VAL A 8 -0.881 5.359 -8.686 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.594 5.970 -11.099 1.00 0.00 C ATOM 0 HA VAL A 8 -3.073 5.048 -10.327 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.172 7.292 -9.531 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.191 5.497 -8.542 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.407 5.618 -7.767 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.082 4.318 -8.938 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.474 6.099 -10.921 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.787 4.946 -11.417 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.918 6.659 -11.879 1.00 0.00 H new ATOM 82 N THR A 9 -4.040 5.350 -8.045 1.00 0.00 N ATOM 83 CA THR A 9 -4.758 5.515 -6.787 1.00 0.00 C ATOM 84 C THR A 9 -3.793 5.731 -5.627 1.00 0.00 C ATOM 85 O THR A 9 -2.904 4.914 -5.385 1.00 0.00 O ATOM 86 CB THR A 9 -5.644 4.292 -6.482 1.00 0.00 C ATOM 87 OG1 THR A 9 -6.530 4.043 -7.579 1.00 0.00 O ATOM 88 CG2 THR A 9 -6.452 4.512 -5.212 1.00 0.00 C ATOM 0 H THR A 9 -3.904 4.380 -8.329 1.00 0.00 H new ATOM 0 HA THR A 9 -5.391 6.395 -6.897 1.00 0.00 H new ATOM 0 HB THR A 9 -4.995 3.429 -6.336 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.088 3.263 -7.378 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.070 3.635 -5.017 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.775 4.672 -4.373 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.091 5.386 -5.334 1.00 0.00 H new ATOM 96 N THR A 10 -3.973 6.836 -4.911 1.00 0.00 N ATOM 97 CA THR A 10 -3.118 7.160 -3.777 1.00 0.00 C ATOM 98 C THR A 10 -3.915 7.185 -2.477 1.00 0.00 C ATOM 99 O THR A 10 -4.950 7.843 -2.385 1.00 0.00 O ATOM 100 CB THR A 10 -2.425 8.522 -3.966 1.00 0.00 C ATOM 101 OG1 THR A 10 -1.625 8.504 -5.154 1.00 0.00 O ATOM 102 CG2 THR A 10 -1.552 8.857 -2.766 1.00 0.00 C ATOM 0 H THR A 10 -4.704 7.522 -5.097 1.00 0.00 H new ATOM 0 HA THR A 10 -2.359 6.379 -3.721 1.00 0.00 H new ATOM 0 HB THR A 10 -3.196 9.287 -4.059 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.189 9.374 -5.268 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.073 9.823 -2.923 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.168 8.899 -1.868 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.788 8.089 -2.646 1.00 0.00 H new ATOM 110 N ALA A 11 -3.424 6.464 -1.474 1.00 0.00 N ATOM 111 CA ALA A 11 -4.090 6.405 -0.179 1.00 0.00 C ATOM 112 C ALA A 11 -3.098 6.627 0.958 1.00 0.00 C ATOM 113 O ALA A 11 -1.931 6.247 0.859 1.00 0.00 O ATOM 114 CB ALA A 11 -4.800 5.070 -0.009 1.00 0.00 C ATOM 0 H ALA A 11 -2.568 5.913 -1.534 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.831 7.204 -0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.293 5.041 0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.544 4.951 -0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.073 4.261 -0.071 1.00 0.00 H new ATOM 120 N ILE A 12 -3.569 7.245 2.036 1.00 0.00 N ATOM 121 CA ILE A 12 -2.723 7.516 3.192 1.00 0.00 C ATOM 122 C ILE A 12 -3.265 6.833 4.443 1.00 0.00 C ATOM 123 O ILE A 12 -4.476 6.791 4.664 1.00 0.00 O ATOM 124 CB ILE A 12 -2.601 9.028 3.457 1.00 0.00 C ATOM 125 CG1 ILE A 12 -2.023 9.738 2.232 1.00 0.00 C ATOM 126 CG2 ILE A 12 -1.734 9.283 4.682 1.00 0.00 C ATOM 127 CD1 ILE A 12 -2.322 11.221 2.195 1.00 0.00 C ATOM 0 H ILE A 12 -4.532 7.567 2.133 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.736 7.115 2.962 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.596 9.429 3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.943 9.593 2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.422 9.273 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.657 10.356 4.856 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.184 8.805 5.552 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.739 8.870 4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.882 11.659 1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.401 11.374 2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.899 11.700 3.078 1.00 0.00 H new ATOM 139 N ILE A 13 -2.361 6.302 5.259 1.00 0.00 N ATOM 140 CA ILE A 13 -2.749 5.624 6.490 1.00 0.00 C ATOM 141 C ILE A 13 -2.167 6.328 7.712 1.00 0.00 C ATOM 142 O ILE A 13 -1.104 6.945 7.639 1.00 0.00 O ATOM 143 CB ILE A 13 -2.290 4.154 6.491 1.00 0.00 C ATOM 144 CG1 ILE A 13 -2.480 3.537 5.104 1.00 0.00 C ATOM 145 CG2 ILE A 13 -3.057 3.361 7.539 1.00 0.00 C ATOM 146 CD1 ILE A 13 -3.920 3.207 4.781 1.00 0.00 C ATOM 0 H ILE A 13 -1.355 6.328 5.090 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.837 5.656 6.539 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.230 4.120 6.741 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.097 4.227 4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.883 2.628 5.035 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.722 2.324 7.528 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.876 3.790 8.524 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.123 3.400 7.316 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.979 2.773 3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.302 2.492 5.510 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.519 4.117 4.817 1.00 0.00 H new ATOM 158 N HIS A 14 -2.871 6.230 8.835 1.00 0.00 N ATOM 159 CA HIS A 14 -2.423 6.855 10.075 1.00 0.00 C ATOM 160 C HIS A 14 -1.838 5.816 11.026 1.00 0.00 C ATOM 161 O HIS A 14 -2.572 5.088 11.695 1.00 0.00 O ATOM 162 CB HIS A 14 -3.584 7.585 10.750 1.00 0.00 C ATOM 163 CG HIS A 14 -3.859 8.938 10.170 1.00 0.00 C ATOM 164 ND1 HIS A 14 -2.892 9.913 10.043 1.00 0.00 N ATOM 165 CD2 HIS A 14 -5.000 9.476 9.680 1.00 0.00 C ATOM 166 CE1 HIS A 14 -3.427 10.993 9.501 1.00 0.00 C ATOM 167 NE2 HIS A 14 -4.706 10.754 9.271 1.00 0.00 N ATOM 0 H HIS A 14 -3.753 5.724 8.912 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.644 7.576 9.829 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.483 6.974 10.668 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.367 7.692 11.813 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.963 8.991 9.621 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.907 11.914 9.283 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.367 11.411 8.857 1.00 0.00 H new ATOM 175 N ARG A 15 -0.511 5.752 11.081 1.00 0.00 N ATOM 176 CA ARG A 15 0.172 4.801 11.949 1.00 0.00 C ATOM 177 C ARG A 15 0.963 5.526 13.035 1.00 0.00 C ATOM 178 O ARG A 15 2.166 5.755 12.913 1.00 0.00 O ATOM 179 CB ARG A 15 1.109 3.912 11.129 1.00 0.00 C ATOM 180 CG ARG A 15 0.445 3.285 9.914 1.00 0.00 C ATOM 181 CD ARG A 15 1.308 2.186 9.313 1.00 0.00 C ATOM 182 NE ARG A 15 1.056 2.012 7.885 1.00 0.00 N ATOM 183 CZ ARG A 15 -0.081 1.531 7.393 1.00 0.00 C ATOM 184 NH1 ARG A 15 -1.065 1.180 8.209 1.00 0.00 N ATOM 185 NH2 ARG A 15 -0.235 1.403 6.081 1.00 0.00 N ATOM 0 H ARG A 15 0.112 6.347 10.535 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.583 4.178 12.428 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.963 4.504 10.801 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.498 3.120 11.769 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.524 2.874 10.199 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.257 4.053 9.164 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.360 2.425 9.469 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.114 1.248 9.832 1.00 0.00 H new ATOM 0 HE ARG A 15 1.793 2.274 7.230 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.951 1.279 9.218 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.936 0.811 7.828 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.519 1.674 5.450 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.108 1.034 5.704 1.00 0.00 H new ATOM 199 N PRO A 16 0.271 5.897 14.122 1.00 0.00 N ATOM 200 CA PRO A 16 0.888 6.602 15.250 1.00 0.00 C ATOM 201 C PRO A 16 1.840 5.710 16.040 1.00 0.00 C ATOM 202 O PRO A 16 2.701 6.200 16.772 1.00 0.00 O ATOM 203 CB PRO A 16 -0.309 7.003 16.115 1.00 0.00 C ATOM 204 CG PRO A 16 -1.367 6.008 15.783 1.00 0.00 C ATOM 205 CD PRO A 16 -1.166 5.657 14.335 1.00 0.00 C ATOM 0 HA PRO A 16 1.495 7.445 14.921 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.058 6.975 17.175 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.636 8.018 15.892 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.283 5.123 16.414 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.360 6.425 15.949 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.435 4.620 14.132 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.778 6.279 13.682 1.00 0.00 H new ATOM 213 N HIS A 17 1.681 4.400 15.886 1.00 0.00 N ATOM 214 CA HIS A 17 2.528 3.440 16.585 1.00 0.00 C ATOM 215 C HIS A 17 3.137 2.440 15.606 1.00 0.00 C ATOM 216 O HIS A 17 2.461 1.952 14.701 1.00 0.00 O ATOM 217 CB HIS A 17 1.723 2.699 17.653 1.00 0.00 C ATOM 218 CG HIS A 17 2.535 2.302 18.847 1.00 0.00 C ATOM 219 ND1 HIS A 17 2.853 0.993 19.139 1.00 0.00 N ATOM 220 CD2 HIS A 17 3.097 3.051 19.825 1.00 0.00 C ATOM 221 CE1 HIS A 17 3.573 0.953 20.246 1.00 0.00 C ATOM 222 NE2 HIS A 17 3.736 2.190 20.682 1.00 0.00 N ATOM 0 H HIS A 17 0.974 3.979 15.284 1.00 0.00 H new ATOM 0 HA HIS A 17 3.336 3.990 17.067 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.898 3.333 17.979 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.283 1.806 17.210 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.051 4.126 19.914 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.962 0.061 20.715 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.252 2.461 21.519 1.00 0.00 H new ATOM 230 N ALA A 18 4.419 2.142 15.794 1.00 0.00 N ATOM 231 CA ALA A 18 5.118 1.200 14.929 1.00 0.00 C ATOM 232 C ALA A 18 4.888 -0.238 15.382 1.00 0.00 C ATOM 233 O ALA A 18 4.826 -1.155 14.563 1.00 0.00 O ATOM 234 CB ALA A 18 6.607 1.514 14.900 1.00 0.00 C ATOM 0 H ALA A 18 4.994 2.539 16.537 1.00 0.00 H new ATOM 0 HA ALA A 18 4.716 1.304 13.921 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.116 0.802 14.250 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.758 2.525 14.521 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.014 1.440 15.908 1.00 0.00 H new ATOM 240 N ARG A 19 4.763 -0.427 16.692 1.00 0.00 N ATOM 241 CA ARG A 19 4.542 -1.754 17.254 1.00 0.00 C ATOM 242 C ARG A 19 3.061 -2.119 17.220 1.00 0.00 C ATOM 243 O ARG A 19 2.579 -2.875 18.063 1.00 0.00 O ATOM 244 CB ARG A 19 5.060 -1.815 18.692 1.00 0.00 C ATOM 245 CG ARG A 19 6.558 -2.057 18.790 1.00 0.00 C ATOM 246 CD ARG A 19 6.963 -2.480 20.194 1.00 0.00 C ATOM 247 NE ARG A 19 6.577 -3.858 20.483 1.00 0.00 N ATOM 248 CZ ARG A 19 7.261 -4.916 20.063 1.00 0.00 C ATOM 249 NH1 ARG A 19 8.361 -4.755 19.340 1.00 0.00 N ATOM 250 NH2 ARG A 19 6.847 -6.140 20.367 1.00 0.00 N ATOM 0 H ARG A 19 4.811 0.322 17.383 1.00 0.00 H new ATOM 0 HA ARG A 19 5.090 -2.474 16.647 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.818 -0.880 19.196 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.537 -2.609 19.224 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.850 -2.828 18.078 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.093 -1.149 18.514 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.042 -2.374 20.307 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.499 -1.814 20.921 1.00 0.00 H new ATOM 0 HE ARG A 19 5.736 -4.017 21.038 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.684 -3.816 19.105 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.884 -5.570 19.019 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.002 -6.269 20.924 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.374 -6.952 20.044 1.00 0.00 H new ATOM 264 N GLU A 20 2.345 -1.575 16.240 1.00 0.00 N ATOM 265 CA GLU A 20 0.919 -1.843 16.098 1.00 0.00 C ATOM 266 C GLU A 20 0.625 -2.536 14.771 1.00 0.00 C ATOM 267 O GLU A 20 1.295 -2.289 13.769 1.00 0.00 O ATOM 268 CB GLU A 20 0.121 -0.541 16.194 1.00 0.00 C ATOM 269 CG GLU A 20 -0.161 -0.103 17.621 1.00 0.00 C ATOM 270 CD GLU A 20 -1.145 -1.015 18.328 1.00 0.00 C ATOM 271 OE1 GLU A 20 -0.773 -2.169 18.628 1.00 0.00 O ATOM 272 OE2 GLU A 20 -2.286 -0.576 18.580 1.00 0.00 O ATOM 0 H GLU A 20 2.729 -0.947 15.534 1.00 0.00 H new ATOM 0 HA GLU A 20 0.618 -2.506 16.909 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.669 0.250 15.682 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.825 -0.665 15.667 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.774 -0.079 18.181 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.554 0.914 17.614 1.00 0.00 H new ATOM 279 N GLN A 21 -0.381 -3.406 14.774 1.00 0.00 N ATOM 280 CA GLN A 21 -0.762 -4.136 13.571 1.00 0.00 C ATOM 281 C GLN A 21 -1.003 -3.180 12.407 1.00 0.00 C ATOM 282 O GLN A 21 -0.821 -1.968 12.537 1.00 0.00 O ATOM 283 CB GLN A 21 -2.019 -4.968 13.831 1.00 0.00 C ATOM 284 CG GLN A 21 -1.779 -6.165 14.737 1.00 0.00 C ATOM 285 CD GLN A 21 -3.069 -6.818 15.194 1.00 0.00 C ATOM 286 OE1 GLN A 21 -4.061 -6.140 15.460 1.00 0.00 O ATOM 287 NE2 GLN A 21 -3.061 -8.143 15.289 1.00 0.00 N ATOM 0 H GLN A 21 -0.946 -3.622 15.595 1.00 0.00 H new ATOM 0 HA GLN A 21 0.059 -4.803 13.306 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.781 -4.330 14.280 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.417 -5.318 12.878 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.171 -6.900 14.209 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.208 -5.847 15.609 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.216 -8.666 15.058 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.900 -8.638 15.593 1.00 0.00 H new ATOM 296 N LEU A 22 -1.412 -3.731 11.270 1.00 0.00 N ATOM 297 CA LEU A 22 -1.678 -2.927 10.082 1.00 0.00 C ATOM 298 C LEU A 22 -3.144 -3.027 9.674 1.00 0.00 C ATOM 299 O LEU A 22 -3.814 -2.015 9.475 1.00 0.00 O ATOM 300 CB LEU A 22 -0.783 -3.378 8.927 1.00 0.00 C ATOM 301 CG LEU A 22 0.634 -2.803 8.912 1.00 0.00 C ATOM 302 CD1 LEU A 22 1.387 -3.270 7.676 1.00 0.00 C ATOM 303 CD2 LEU A 22 0.595 -1.283 8.973 1.00 0.00 C ATOM 0 H LEU A 22 -1.567 -4.731 11.145 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.457 -1.887 10.320 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.712 -4.465 8.952 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.272 -3.112 7.990 1.00 0.00 H new ATOM 0 HG LEU A 22 1.162 -3.168 9.793 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.393 -2.851 7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.447 -4.358 7.676 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.861 -2.936 6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.612 -0.892 8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.049 -0.898 8.112 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.096 -0.968 9.890 1.00 0.00 H new ATOM 315 N GLY A 23 -3.637 -4.256 9.552 1.00 0.00 N ATOM 316 CA GLY A 23 -5.021 -4.466 9.170 1.00 0.00 C ATOM 317 C GLY A 23 -5.156 -5.042 7.774 1.00 0.00 C ATOM 318 O GLY A 23 -5.946 -5.959 7.547 1.00 0.00 O ATOM 0 H GLY A 23 -3.102 -5.110 9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.494 -5.139 9.885 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.557 -3.518 9.222 1.00 0.00 H new ATOM 322 N PHE A 24 -4.386 -4.502 6.836 1.00 0.00 N ATOM 323 CA PHE A 24 -4.425 -4.966 5.454 1.00 0.00 C ATOM 324 C PHE A 24 -3.367 -6.038 5.210 1.00 0.00 C ATOM 325 O PHE A 24 -2.176 -5.812 5.432 1.00 0.00 O ATOM 326 CB PHE A 24 -4.210 -3.794 4.494 1.00 0.00 C ATOM 327 CG PHE A 24 -2.914 -3.067 4.715 1.00 0.00 C ATOM 328 CD1 PHE A 24 -2.802 -2.112 5.713 1.00 0.00 C ATOM 329 CD2 PHE A 24 -1.809 -3.339 3.926 1.00 0.00 C ATOM 330 CE1 PHE A 24 -1.611 -1.442 5.918 1.00 0.00 C ATOM 331 CE2 PHE A 24 -0.615 -2.672 4.126 1.00 0.00 C ATOM 332 CZ PHE A 24 -0.516 -1.723 5.125 1.00 0.00 C ATOM 0 H PHE A 24 -3.727 -3.742 7.007 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.407 -5.401 5.271 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.239 -4.164 3.469 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.035 -3.090 4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.655 -1.889 6.337 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.881 -4.081 3.145 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.537 -0.699 6.698 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.239 -2.892 3.502 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.416 -1.202 5.286 1.00 0.00 H new ATOM 342 N CYS A 25 -3.809 -7.204 4.753 1.00 0.00 N ATOM 343 CA CYS A 25 -2.902 -8.312 4.480 1.00 0.00 C ATOM 344 C CYS A 25 -2.299 -8.190 3.084 1.00 0.00 C ATOM 345 O CYS A 25 -3.019 -8.163 2.086 1.00 0.00 O ATOM 346 CB CYS A 25 -3.637 -9.646 4.616 1.00 0.00 C ATOM 347 SG CYS A 25 -4.036 -10.099 6.320 1.00 0.00 S ATOM 0 H CYS A 25 -4.791 -7.406 4.564 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.093 -8.275 5.210 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.560 -9.601 4.038 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.024 -10.433 4.176 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.658 -11.240 6.331 1.00 0.00 H new ATOM 353 N VAL A 26 -0.973 -8.115 3.022 1.00 0.00 N ATOM 354 CA VAL A 26 -0.273 -7.995 1.749 1.00 0.00 C ATOM 355 C VAL A 26 0.438 -9.295 1.388 1.00 0.00 C ATOM 356 O VAL A 26 1.184 -9.850 2.194 1.00 0.00 O ATOM 357 CB VAL A 26 0.758 -6.851 1.781 1.00 0.00 C ATOM 358 CG1 VAL A 26 1.519 -6.781 0.466 1.00 0.00 C ATOM 359 CG2 VAL A 26 0.074 -5.527 2.082 1.00 0.00 C ATOM 0 H VAL A 26 -0.362 -8.135 3.839 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.027 -7.774 0.993 1.00 0.00 H new ATOM 0 HB VAL A 26 1.475 -7.053 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.243 -5.967 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.041 -7.723 0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.819 -6.603 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.817 -4.730 2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.666 -5.316 1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.421 -5.585 3.052 1.00 0.00 H new ATOM 369 N GLU A 27 0.201 -9.774 0.171 1.00 0.00 N ATOM 370 CA GLU A 27 0.819 -11.010 -0.297 1.00 0.00 C ATOM 371 C GLU A 27 1.681 -10.754 -1.530 1.00 0.00 C ATOM 372 O GLU A 27 1.169 -10.428 -2.601 1.00 0.00 O ATOM 373 CB GLU A 27 -0.254 -12.053 -0.618 1.00 0.00 C ATOM 374 CG GLU A 27 -1.172 -12.362 0.553 1.00 0.00 C ATOM 375 CD GLU A 27 -0.555 -13.338 1.536 1.00 0.00 C ATOM 376 OE1 GLU A 27 0.654 -13.208 1.821 1.00 0.00 O ATOM 377 OE2 GLU A 27 -1.281 -14.232 2.019 1.00 0.00 O ATOM 0 H GLU A 27 -0.414 -9.326 -0.508 1.00 0.00 H new ATOM 0 HA GLU A 27 1.459 -11.391 0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.854 -11.698 -1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.231 -12.974 -0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.417 -11.435 1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.108 -12.774 0.177 1.00 0.00 H new ATOM 384 N ASP A 28 2.991 -10.904 -1.370 1.00 0.00 N ATOM 385 CA ASP A 28 3.925 -10.691 -2.469 1.00 0.00 C ATOM 386 C ASP A 28 3.779 -9.284 -3.041 1.00 0.00 C ATOM 387 O ASP A 28 4.027 -9.055 -4.224 1.00 0.00 O ATOM 388 CB ASP A 28 3.697 -11.728 -3.569 1.00 0.00 C ATOM 389 CG ASP A 28 4.445 -13.021 -3.310 1.00 0.00 C ATOM 390 OD1 ASP A 28 4.541 -13.425 -2.132 1.00 0.00 O ATOM 391 OD2 ASP A 28 4.933 -13.629 -4.285 1.00 0.00 O ATOM 0 H ASP A 28 3.430 -11.172 -0.489 1.00 0.00 H new ATOM 0 HA ASP A 28 4.937 -10.803 -2.080 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.631 -11.939 -3.650 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.014 -11.314 -4.526 1.00 0.00 H new ATOM 396 N GLY A 29 3.373 -8.345 -2.192 1.00 0.00 N ATOM 397 CA GLY A 29 3.200 -6.972 -2.631 1.00 0.00 C ATOM 398 C GLY A 29 1.812 -6.711 -3.182 1.00 0.00 C ATOM 399 O GLY A 29 1.589 -5.717 -3.874 1.00 0.00 O ATOM 0 H GLY A 29 3.161 -8.510 -1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.388 -6.300 -1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.941 -6.742 -3.397 1.00 0.00 H new ATOM 403 N ILE A 30 0.878 -7.606 -2.877 1.00 0.00 N ATOM 404 CA ILE A 30 -0.494 -7.467 -3.348 1.00 0.00 C ATOM 405 C ILE A 30 -1.490 -7.722 -2.221 1.00 0.00 C ATOM 406 O ILE A 30 -1.597 -8.839 -1.714 1.00 0.00 O ATOM 407 CB ILE A 30 -0.792 -8.434 -4.509 1.00 0.00 C ATOM 408 CG1 ILE A 30 0.101 -8.114 -5.710 1.00 0.00 C ATOM 409 CG2 ILE A 30 -2.260 -8.358 -4.899 1.00 0.00 C ATOM 410 CD1 ILE A 30 -0.060 -9.085 -6.858 1.00 0.00 C ATOM 0 H ILE A 30 1.047 -8.434 -2.306 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.603 -6.442 -3.703 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.576 -9.450 -4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.124 -7.107 -6.062 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.142 -8.114 -5.388 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.454 -9.047 -5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.878 -8.630 -4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.501 -7.342 -5.213 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.603 -8.797 -7.674 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.194 -10.091 -6.522 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.093 -9.068 -7.206 1.00 0.00 H new ATOM 422 N ILE A 31 -2.218 -6.679 -1.836 1.00 0.00 N ATOM 423 CA ILE A 31 -3.208 -6.791 -0.772 1.00 0.00 C ATOM 424 C ILE A 31 -4.343 -7.727 -1.172 1.00 0.00 C ATOM 425 O ILE A 31 -4.917 -7.595 -2.254 1.00 0.00 O ATOM 426 CB ILE A 31 -3.797 -5.416 -0.404 1.00 0.00 C ATOM 427 CG1 ILE A 31 -2.676 -4.432 -0.064 1.00 0.00 C ATOM 428 CG2 ILE A 31 -4.764 -5.549 0.763 1.00 0.00 C ATOM 429 CD1 ILE A 31 -3.047 -2.986 -0.308 1.00 0.00 C ATOM 0 H ILE A 31 -2.141 -5.748 -2.245 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.692 -7.201 0.096 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.346 -5.030 -1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.400 -4.556 0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.795 -4.678 -0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.172 -4.569 1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.577 -6.221 0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.237 -5.952 1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.205 -2.345 -0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.295 -2.847 -1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.909 -2.723 0.306 1.00 0.00 H new ATOM 441 N CYS A 32 -4.662 -8.671 -0.294 1.00 0.00 N ATOM 442 CA CYS A 32 -5.731 -9.629 -0.555 1.00 0.00 C ATOM 443 C CYS A 32 -6.932 -9.363 0.346 1.00 0.00 C ATOM 444 O CYS A 32 -8.064 -9.257 -0.127 1.00 0.00 O ATOM 445 CB CYS A 32 -5.226 -11.057 -0.344 1.00 0.00 C ATOM 446 SG CYS A 32 -6.505 -12.324 -0.507 1.00 0.00 S ATOM 0 H CYS A 32 -4.196 -8.794 0.605 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.045 -9.512 -1.592 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.434 -11.261 -1.064 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.781 -11.131 0.648 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.980 -13.498 -0.313 1.00 0.00 H new ATOM 452 N SER A 33 -6.678 -9.257 1.647 1.00 0.00 N ATOM 453 CA SER A 33 -7.740 -9.009 2.615 1.00 0.00 C ATOM 454 C SER A 33 -7.486 -7.713 3.379 1.00 0.00 C ATOM 455 O SER A 33 -6.363 -7.209 3.414 1.00 0.00 O ATOM 456 CB SER A 33 -7.849 -10.179 3.594 1.00 0.00 C ATOM 457 OG SER A 33 -6.950 -10.024 4.678 1.00 0.00 O ATOM 0 H SER A 33 -5.746 -9.339 2.054 1.00 0.00 H new ATOM 0 HA SER A 33 -8.679 -8.911 2.071 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.869 -10.248 3.971 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.638 -11.113 3.074 1.00 0.00 H new ATOM 0 HG SER A 33 -7.041 -10.784 5.290 1.00 0.00 H new ATOM 463 N LEU A 34 -8.537 -7.179 3.991 1.00 0.00 N ATOM 464 CA LEU A 34 -8.430 -5.942 4.757 1.00 0.00 C ATOM 465 C LEU A 34 -9.204 -6.043 6.067 1.00 0.00 C ATOM 466 O LEU A 34 -10.334 -6.531 6.097 1.00 0.00 O ATOM 467 CB LEU A 34 -8.951 -4.763 3.933 1.00 0.00 C ATOM 468 CG LEU A 34 -8.311 -3.406 4.224 1.00 0.00 C ATOM 469 CD1 LEU A 34 -8.654 -2.408 3.128 1.00 0.00 C ATOM 470 CD2 LEU A 34 -8.760 -2.885 5.582 1.00 0.00 C ATOM 0 H LEU A 34 -9.473 -7.583 3.972 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.378 -5.778 4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.806 -4.992 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.025 -4.678 4.096 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.229 -3.533 4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.190 -1.448 3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.283 -2.776 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.736 -2.284 3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.295 -1.918 5.773 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.844 -2.774 5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.463 -3.590 6.358 1.00 0.00 H new ATOM 482 N LEU A 35 -8.588 -5.578 7.149 1.00 0.00 N ATOM 483 CA LEU A 35 -9.220 -5.614 8.463 1.00 0.00 C ATOM 484 C LEU A 35 -10.394 -4.642 8.530 1.00 0.00 C ATOM 485 O LEU A 35 -10.217 -3.429 8.416 1.00 0.00 O ATOM 486 CB LEU A 35 -8.200 -5.273 9.551 1.00 0.00 C ATOM 487 CG LEU A 35 -8.750 -5.148 10.972 1.00 0.00 C ATOM 488 CD1 LEU A 35 -8.712 -6.494 11.679 1.00 0.00 C ATOM 489 CD2 LEU A 35 -7.965 -4.108 11.758 1.00 0.00 C ATOM 0 H LEU A 35 -7.652 -5.172 7.142 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.597 -6.623 8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.426 -6.041 9.549 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.717 -4.333 9.286 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.788 -4.821 10.912 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.107 -6.386 12.689 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.318 -7.212 11.127 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.683 -6.850 11.728 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.370 -4.032 12.767 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.917 -4.405 11.809 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.044 -3.141 11.262 1.00 0.00 H new ATOM 501 N ARG A 36 -11.594 -5.184 8.716 1.00 0.00 N ATOM 502 CA ARG A 36 -12.797 -4.365 8.799 1.00 0.00 C ATOM 503 C ARG A 36 -12.865 -3.633 10.136 1.00 0.00 C ATOM 504 O ARG A 36 -13.069 -4.247 11.182 1.00 0.00 O ATOM 505 CB ARG A 36 -14.044 -5.233 8.616 1.00 0.00 C ATOM 506 CG ARG A 36 -15.298 -4.437 8.297 1.00 0.00 C ATOM 507 CD ARG A 36 -16.538 -5.317 8.321 1.00 0.00 C ATOM 508 NE ARG A 36 -16.962 -5.629 9.683 1.00 0.00 N ATOM 509 CZ ARG A 36 -17.680 -6.700 10.002 1.00 0.00 C ATOM 510 NH1 ARG A 36 -18.053 -7.557 9.062 1.00 0.00 N ATOM 511 NH2 ARG A 36 -18.027 -6.915 11.265 1.00 0.00 N ATOM 0 H ARG A 36 -11.758 -6.186 8.812 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.758 -3.624 8.000 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.864 -5.948 7.813 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.212 -5.810 9.526 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.410 -3.628 9.019 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.197 -3.975 7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.350 -4.814 7.795 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.335 -6.243 7.783 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.692 -4.989 10.430 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -17.789 -7.395 8.090 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -18.604 -8.378 9.310 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -17.742 -6.258 11.991 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -18.578 -7.738 11.509 1.00 0.00 H new ATOM 525 N GLY A 37 -12.693 -2.315 10.092 1.00 0.00 N ATOM 526 CA GLY A 37 -12.738 -1.521 11.306 1.00 0.00 C ATOM 527 C GLY A 37 -11.356 -1.170 11.821 1.00 0.00 C ATOM 528 O GLY A 37 -11.126 -1.137 13.029 1.00 0.00 O ATOM 0 H GLY A 37 -12.523 -1.784 9.238 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.295 -0.604 11.116 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.281 -2.070 12.076 1.00 0.00 H new ATOM 532 N GLY A 38 -10.432 -0.909 10.902 1.00 0.00 N ATOM 533 CA GLY A 38 -9.076 -0.565 11.289 1.00 0.00 C ATOM 534 C GLY A 38 -8.652 0.795 10.770 1.00 0.00 C ATOM 535 O GLY A 38 -9.480 1.693 10.617 1.00 0.00 O ATOM 0 H GLY A 38 -10.598 -0.930 9.896 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.998 -0.576 12.376 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.390 -1.324 10.912 1.00 0.00 H new ATOM 539 N ILE A 39 -7.360 0.947 10.501 1.00 0.00 N ATOM 540 CA ILE A 39 -6.828 2.207 9.997 1.00 0.00 C ATOM 541 C ILE A 39 -6.862 2.247 8.473 1.00 0.00 C ATOM 542 O ILE A 39 -7.293 3.235 7.878 1.00 0.00 O ATOM 543 CB ILE A 39 -5.382 2.438 10.473 1.00 0.00 C ATOM 544 CG1 ILE A 39 -5.233 2.026 11.939 1.00 0.00 C ATOM 545 CG2 ILE A 39 -4.990 3.896 10.285 1.00 0.00 C ATOM 546 CD1 ILE A 39 -3.797 1.991 12.413 1.00 0.00 C ATOM 0 H ILE A 39 -6.662 0.213 10.624 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.463 2.999 10.394 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.714 1.821 9.872 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.796 2.720 12.562 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.677 1.040 12.078 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.965 4.044 10.626 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.063 4.159 9.230 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.660 4.531 10.864 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.767 1.691 13.461 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.234 1.275 11.814 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.354 2.981 12.306 1.00 0.00 H new ATOM 558 N ALA A 40 -6.407 1.167 7.847 1.00 0.00 N ATOM 559 CA ALA A 40 -6.389 1.077 6.392 1.00 0.00 C ATOM 560 C ALA A 40 -7.741 1.461 5.802 1.00 0.00 C ATOM 561 O ALA A 40 -7.861 2.467 5.104 1.00 0.00 O ATOM 562 CB ALA A 40 -5.998 -0.327 5.955 1.00 0.00 C ATOM 0 H ALA A 40 -6.046 0.342 8.325 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.646 1.781 6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.989 -0.380 4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.006 -0.564 6.338 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.719 -1.044 6.347 1.00 0.00 H new ATOM 568 N GLU A 41 -8.757 0.651 6.086 1.00 0.00 N ATOM 569 CA GLU A 41 -10.101 0.906 5.580 1.00 0.00 C ATOM 570 C GLU A 41 -10.413 2.399 5.595 1.00 0.00 C ATOM 571 O GLU A 41 -10.941 2.943 4.625 1.00 0.00 O ATOM 572 CB GLU A 41 -11.136 0.148 6.415 1.00 0.00 C ATOM 573 CG GLU A 41 -12.497 0.045 5.749 1.00 0.00 C ATOM 574 CD GLU A 41 -13.291 1.333 5.841 1.00 0.00 C ATOM 575 OE1 GLU A 41 -14.011 1.515 6.845 1.00 0.00 O ATOM 576 OE2 GLU A 41 -13.194 2.159 4.909 1.00 0.00 O ATOM 0 H GLU A 41 -8.675 -0.186 6.663 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.148 0.553 4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.763 -0.856 6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.249 0.646 7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.365 -0.222 4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.065 -0.761 6.214 1.00 0.00 H new ATOM 583 N ARG A 42 -10.085 3.055 6.703 1.00 0.00 N ATOM 584 CA ARG A 42 -10.332 4.485 6.846 1.00 0.00 C ATOM 585 C ARG A 42 -9.366 5.292 5.984 1.00 0.00 C ATOM 586 O ARG A 42 -9.731 6.327 5.427 1.00 0.00 O ATOM 587 CB ARG A 42 -10.197 4.904 8.311 1.00 0.00 C ATOM 588 CG ARG A 42 -11.403 4.542 9.162 1.00 0.00 C ATOM 589 CD ARG A 42 -11.194 4.928 10.618 1.00 0.00 C ATOM 590 NE ARG A 42 -12.432 4.851 11.388 1.00 0.00 N ATOM 591 CZ ARG A 42 -13.015 3.708 11.732 1.00 0.00 C ATOM 592 NH1 ARG A 42 -12.474 2.551 11.377 1.00 0.00 N ATOM 593 NH2 ARG A 42 -14.141 3.721 12.434 1.00 0.00 N ATOM 0 H ARG A 42 -9.648 2.619 7.515 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.349 4.688 6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.310 4.433 8.734 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.040 5.982 8.359 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.288 5.047 8.774 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.591 3.471 9.092 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.448 4.270 11.064 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.797 5.942 10.671 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.874 5.723 11.678 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.608 2.537 10.838 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.924 1.675 11.643 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.560 4.609 12.710 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.588 2.843 12.698 1.00 0.00 H new ATOM 607 N GLY A 43 -8.131 4.812 5.879 1.00 0.00 N ATOM 608 CA GLY A 43 -7.132 5.502 5.084 1.00 0.00 C ATOM 609 C GLY A 43 -7.485 5.536 3.611 1.00 0.00 C ATOM 610 O GLY A 43 -7.419 6.586 2.973 1.00 0.00 O ATOM 0 H GLY A 43 -7.804 3.958 6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.021 6.522 5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.168 5.011 5.212 1.00 0.00 H new ATOM 614 N GLY A 44 -7.862 4.382 3.067 1.00 0.00 N ATOM 615 CA GLY A 44 -8.220 4.306 1.663 1.00 0.00 C ATOM 616 C GLY A 44 -7.578 3.124 0.964 1.00 0.00 C ATOM 617 O GLY A 44 -7.249 3.198 -0.220 1.00 0.00 O ATOM 0 H GLY A 44 -7.926 3.499 3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.304 4.234 1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.918 5.227 1.164 1.00 0.00 H new ATOM 621 N ILE A 45 -7.399 2.031 1.698 1.00 0.00 N ATOM 622 CA ILE A 45 -6.792 0.828 1.142 1.00 0.00 C ATOM 623 C ILE A 45 -7.855 -0.140 0.635 1.00 0.00 C ATOM 624 O ILE A 45 -8.834 -0.421 1.326 1.00 0.00 O ATOM 625 CB ILE A 45 -5.912 0.109 2.181 1.00 0.00 C ATOM 626 CG1 ILE A 45 -4.847 1.062 2.727 1.00 0.00 C ATOM 627 CG2 ILE A 45 -5.263 -1.121 1.565 1.00 0.00 C ATOM 628 CD1 ILE A 45 -3.797 1.444 1.707 1.00 0.00 C ATOM 0 H ILE A 45 -7.666 1.954 2.679 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.167 1.147 0.308 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.543 -0.213 3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.333 1.967 3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.358 0.596 3.582 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.644 -1.618 2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.037 -1.807 1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.642 -0.821 0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.075 2.121 2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.284 0.547 1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.274 1.939 0.862 1.00 0.00 H new ATOM 640 N ARG A 46 -7.654 -0.650 -0.576 1.00 0.00 N ATOM 641 CA ARG A 46 -8.595 -1.589 -1.176 1.00 0.00 C ATOM 642 C ARG A 46 -7.868 -2.818 -1.714 1.00 0.00 C ATOM 643 O ARG A 46 -6.944 -2.703 -2.519 1.00 0.00 O ATOM 644 CB ARG A 46 -9.375 -0.910 -2.303 1.00 0.00 C ATOM 645 CG ARG A 46 -10.603 -0.153 -1.824 1.00 0.00 C ATOM 646 CD ARG A 46 -11.785 -1.086 -1.610 1.00 0.00 C ATOM 647 NE ARG A 46 -11.619 -1.914 -0.418 1.00 0.00 N ATOM 648 CZ ARG A 46 -11.649 -1.433 0.820 1.00 0.00 C ATOM 649 NH1 ARG A 46 -11.837 -0.137 1.028 1.00 0.00 N ATOM 650 NH2 ARG A 46 -11.491 -2.250 1.854 1.00 0.00 N ATOM 0 H ARG A 46 -6.848 -0.429 -1.161 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.293 -1.911 -0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.714 -0.219 -2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.683 -1.665 -3.026 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.373 0.364 -0.892 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.869 0.611 -2.555 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.699 -0.499 -1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.904 -1.727 -2.483 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.472 -2.916 -0.543 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.959 0.494 0.236 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.859 0.229 1.980 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.346 -3.248 1.698 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.514 -1.880 2.804 1.00 0.00 H new ATOM 664 N VAL A 47 -8.292 -3.994 -1.262 1.00 0.00 N ATOM 665 CA VAL A 47 -7.683 -5.245 -1.698 1.00 0.00 C ATOM 666 C VAL A 47 -7.739 -5.384 -3.215 1.00 0.00 C ATOM 667 O VAL A 47 -8.505 -4.692 -3.885 1.00 0.00 O ATOM 668 CB VAL A 47 -8.377 -6.461 -1.056 1.00 0.00 C ATOM 669 CG1 VAL A 47 -8.523 -6.262 0.444 1.00 0.00 C ATOM 670 CG2 VAL A 47 -9.731 -6.705 -1.705 1.00 0.00 C ATOM 0 H VAL A 47 -9.055 -4.106 -0.594 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.642 -5.219 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.756 -7.342 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.015 -7.131 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.537 -6.140 0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.121 -5.371 0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.207 -7.568 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.362 -5.826 -1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.595 -6.896 -2.769 1.00 0.00 H new ATOM 680 N GLY A 48 -6.921 -6.285 -3.752 1.00 0.00 N ATOM 681 CA GLY A 48 -6.894 -6.499 -5.187 1.00 0.00 C ATOM 682 C GLY A 48 -5.874 -5.621 -5.885 1.00 0.00 C ATOM 683 O GLY A 48 -5.262 -6.031 -6.872 1.00 0.00 O ATOM 0 H GLY A 48 -6.277 -6.870 -3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.668 -7.546 -5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.883 -6.300 -5.600 1.00 0.00 H new ATOM 687 N HIS A 49 -5.691 -4.408 -5.373 1.00 0.00 N ATOM 688 CA HIS A 49 -4.739 -3.468 -5.955 1.00 0.00 C ATOM 689 C HIS A 49 -3.313 -3.806 -5.529 1.00 0.00 C ATOM 690 O HIS A 49 -3.051 -4.065 -4.354 1.00 0.00 O ATOM 691 CB HIS A 49 -5.083 -2.038 -5.539 1.00 0.00 C ATOM 692 CG HIS A 49 -6.083 -1.377 -6.436 1.00 0.00 C ATOM 693 ND1 HIS A 49 -5.864 -0.156 -7.038 1.00 0.00 N ATOM 694 CD2 HIS A 49 -7.314 -1.776 -6.834 1.00 0.00 C ATOM 695 CE1 HIS A 49 -6.918 0.169 -7.766 1.00 0.00 C ATOM 696 NE2 HIS A 49 -7.812 -0.798 -7.660 1.00 0.00 N ATOM 0 H HIS A 49 -6.189 -4.053 -4.557 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.804 -3.548 -7.040 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.472 -2.048 -4.521 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.170 -1.443 -5.526 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.812 -2.693 -6.554 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.030 1.072 -8.349 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.724 -0.815 -8.117 1.00 0.00 H new ATOM 704 N ARG A 50 -2.396 -3.802 -6.491 1.00 0.00 N ATOM 705 CA ARG A 50 -0.998 -4.110 -6.215 1.00 0.00 C ATOM 706 C ARG A 50 -0.224 -2.845 -5.852 1.00 0.00 C ATOM 707 O ARG A 50 -0.472 -1.774 -6.406 1.00 0.00 O ATOM 708 CB ARG A 50 -0.354 -4.785 -7.427 1.00 0.00 C ATOM 709 CG ARG A 50 1.145 -4.995 -7.282 1.00 0.00 C ATOM 710 CD ARG A 50 1.831 -5.066 -8.637 1.00 0.00 C ATOM 711 NE ARG A 50 1.721 -6.392 -9.238 1.00 0.00 N ATOM 712 CZ ARG A 50 2.565 -6.857 -10.152 1.00 0.00 C ATOM 713 NH1 ARG A 50 3.577 -6.107 -10.567 1.00 0.00 N ATOM 714 NH2 ARG A 50 2.399 -8.075 -10.652 1.00 0.00 N ATOM 0 H ARG A 50 -2.596 -3.589 -7.468 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.963 -4.793 -5.366 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.833 -5.750 -7.592 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.543 -4.179 -8.313 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.573 -4.180 -6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.333 -5.915 -6.729 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.389 -4.327 -9.306 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.883 -4.805 -8.524 1.00 0.00 H new ATOM 0 HE ARG A 50 0.954 -6.994 -8.940 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.709 -5.171 -10.184 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.224 -6.466 -11.269 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.623 -8.655 -10.334 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.048 -8.431 -11.354 1.00 0.00 H new ATOM 728 N ILE A 51 0.712 -2.978 -4.919 1.00 0.00 N ATOM 729 CA ILE A 51 1.522 -1.847 -4.483 1.00 0.00 C ATOM 730 C ILE A 51 2.687 -1.606 -5.437 1.00 0.00 C ATOM 731 O ILE A 51 3.408 -2.536 -5.800 1.00 0.00 O ATOM 732 CB ILE A 51 2.073 -2.064 -3.062 1.00 0.00 C ATOM 733 CG1 ILE A 51 0.944 -2.466 -2.110 1.00 0.00 C ATOM 734 CG2 ILE A 51 2.768 -0.805 -2.566 1.00 0.00 C ATOM 735 CD1 ILE A 51 -0.157 -1.434 -2.009 1.00 0.00 C ATOM 0 H ILE A 51 0.929 -3.858 -4.450 1.00 0.00 H new ATOM 0 HA ILE A 51 0.870 -0.973 -4.481 1.00 0.00 H new ATOM 0 HB ILE A 51 2.804 -2.872 -3.091 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.516 -3.411 -2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.361 -2.639 -1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.152 -0.974 -1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.594 -0.558 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.057 0.021 -2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.923 -1.785 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.258 -0.494 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.600 -1.278 -2.992 1.00 0.00 H new ATOM 747 N ILE A 52 2.867 -0.352 -5.837 1.00 0.00 N ATOM 748 CA ILE A 52 3.947 0.012 -6.745 1.00 0.00 C ATOM 749 C ILE A 52 4.851 1.074 -6.128 1.00 0.00 C ATOM 750 O ILE A 52 5.941 1.343 -6.630 1.00 0.00 O ATOM 751 CB ILE A 52 3.402 0.536 -8.087 1.00 0.00 C ATOM 752 CG1 ILE A 52 2.533 1.775 -7.860 1.00 0.00 C ATOM 753 CG2 ILE A 52 2.609 -0.551 -8.797 1.00 0.00 C ATOM 754 CD1 ILE A 52 2.101 2.453 -9.142 1.00 0.00 C ATOM 0 H ILE A 52 2.279 0.429 -5.546 1.00 0.00 H new ATOM 0 HA ILE A 52 4.525 -0.894 -6.925 1.00 0.00 H new ATOM 0 HB ILE A 52 4.244 0.817 -8.720 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.647 1.489 -7.293 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.085 2.489 -7.249 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.230 -0.166 -9.744 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.255 -1.408 -8.987 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.772 -0.859 -8.170 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.488 3.323 -8.905 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.982 2.771 -9.700 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.521 1.755 -9.745 1.00 0.00 H new ATOM 766 N GLU A 53 4.390 1.672 -5.034 1.00 0.00 N ATOM 767 CA GLU A 53 5.158 2.704 -4.347 1.00 0.00 C ATOM 768 C GLU A 53 4.642 2.911 -2.926 1.00 0.00 C ATOM 769 O GLU A 53 3.434 2.978 -2.696 1.00 0.00 O ATOM 770 CB GLU A 53 5.092 4.021 -5.122 1.00 0.00 C ATOM 771 CG GLU A 53 6.303 4.914 -4.911 1.00 0.00 C ATOM 772 CD GLU A 53 6.157 6.265 -5.583 1.00 0.00 C ATOM 773 OE1 GLU A 53 5.962 6.297 -6.816 1.00 0.00 O ATOM 774 OE2 GLU A 53 6.237 7.291 -4.874 1.00 0.00 O ATOM 0 H GLU A 53 3.489 1.460 -4.605 1.00 0.00 H new ATOM 0 HA GLU A 53 6.195 2.374 -4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.994 3.802 -6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.195 4.564 -4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.460 5.059 -3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.190 4.414 -5.299 1.00 0.00 H new ATOM 781 N ILE A 54 5.566 3.010 -1.976 1.00 0.00 N ATOM 782 CA ILE A 54 5.205 3.210 -0.578 1.00 0.00 C ATOM 783 C ILE A 54 6.118 4.236 0.085 1.00 0.00 C ATOM 784 O ILE A 54 7.302 4.327 -0.236 1.00 0.00 O ATOM 785 CB ILE A 54 5.274 1.891 0.215 1.00 0.00 C ATOM 786 CG1 ILE A 54 6.725 1.425 0.347 1.00 0.00 C ATOM 787 CG2 ILE A 54 4.427 0.822 -0.461 1.00 0.00 C ATOM 788 CD1 ILE A 54 7.426 1.971 1.571 1.00 0.00 C ATOM 0 H ILE A 54 6.570 2.955 -2.149 1.00 0.00 H new ATOM 0 HA ILE A 54 4.179 3.579 -0.567 1.00 0.00 H new ATOM 0 HB ILE A 54 4.876 2.064 1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.747 0.336 0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.277 1.727 -0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.486 -0.104 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.390 1.155 -0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.798 0.649 -1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.450 1.599 1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.436 3.060 1.529 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.897 1.648 2.468 1.00 0.00 H new ATOM 800 N ASN A 55 5.559 5.006 1.012 1.00 0.00 N ATOM 801 CA ASN A 55 6.323 6.026 1.721 1.00 0.00 C ATOM 802 C ASN A 55 7.308 6.717 0.784 1.00 0.00 C ATOM 803 O ASN A 55 8.406 7.096 1.190 1.00 0.00 O ATOM 804 CB ASN A 55 7.074 5.402 2.900 1.00 0.00 C ATOM 805 CG ASN A 55 6.189 4.500 3.737 1.00 0.00 C ATOM 806 OD1 ASN A 55 6.489 3.321 3.927 1.00 0.00 O ATOM 807 ND2 ASN A 55 5.092 5.051 4.242 1.00 0.00 N ATOM 0 H ASN A 55 4.580 4.943 1.290 1.00 0.00 H new ATOM 0 HA ASN A 55 5.624 6.772 2.098 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.921 4.828 2.525 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.479 6.194 3.529 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.458 4.493 4.814 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.883 6.032 4.058 1.00 0.00 H new ATOM 814 N GLY A 56 6.907 6.879 -0.473 1.00 0.00 N ATOM 815 CA GLY A 56 7.766 7.525 -1.449 1.00 0.00 C ATOM 816 C GLY A 56 8.942 6.658 -1.851 1.00 0.00 C ATOM 817 O GLY A 56 10.067 7.143 -1.968 1.00 0.00 O ATOM 0 H GLY A 56 6.003 6.575 -0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.182 7.773 -2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.135 8.465 -1.038 1.00 0.00 H new ATOM 821 N GLN A 57 8.681 5.371 -2.061 1.00 0.00 N ATOM 822 CA GLN A 57 9.729 4.434 -2.449 1.00 0.00 C ATOM 823 C GLN A 57 9.195 3.398 -3.432 1.00 0.00 C ATOM 824 O GLN A 57 8.251 2.668 -3.129 1.00 0.00 O ATOM 825 CB GLN A 57 10.301 3.736 -1.215 1.00 0.00 C ATOM 826 CG GLN A 57 11.113 4.655 -0.317 1.00 0.00 C ATOM 827 CD GLN A 57 12.191 3.918 0.452 1.00 0.00 C ATOM 828 OE1 GLN A 57 12.204 3.920 1.683 1.00 0.00 O ATOM 829 NE2 GLN A 57 13.104 3.280 -0.272 1.00 0.00 N ATOM 0 H GLN A 57 7.755 4.954 -1.969 1.00 0.00 H new ATOM 0 HA GLN A 57 10.523 4.998 -2.939 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.481 3.309 -0.637 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.931 2.907 -1.536 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.574 5.435 -0.923 1.00 0.00 H new ATOM 0 HG3 GLN A 57 10.445 5.151 0.387 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.055 3.304 -1.291 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.854 2.766 0.191 1.00 0.00 H new ATOM 838 N SER A 58 9.804 3.339 -4.612 1.00 0.00 N ATOM 839 CA SER A 58 9.387 2.395 -5.642 1.00 0.00 C ATOM 840 C SER A 58 9.596 0.957 -5.178 1.00 0.00 C ATOM 841 O SER A 58 10.729 0.510 -4.995 1.00 0.00 O ATOM 842 CB SER A 58 10.163 2.644 -6.937 1.00 0.00 C ATOM 843 OG SER A 58 11.561 2.580 -6.713 1.00 0.00 O ATOM 0 H SER A 58 10.588 3.934 -4.878 1.00 0.00 H new ATOM 0 HA SER A 58 8.324 2.546 -5.830 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.877 1.904 -7.684 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.900 3.622 -7.340 1.00 0.00 H new ATOM 0 HG SER A 58 11.755 1.882 -6.053 1.00 0.00 H new ATOM 849 N VAL A 59 8.496 0.237 -4.988 1.00 0.00 N ATOM 850 CA VAL A 59 8.557 -1.151 -4.546 1.00 0.00 C ATOM 851 C VAL A 59 7.944 -2.086 -5.583 1.00 0.00 C ATOM 852 O VAL A 59 7.728 -3.269 -5.318 1.00 0.00 O ATOM 853 CB VAL A 59 7.830 -1.345 -3.202 1.00 0.00 C ATOM 854 CG1 VAL A 59 8.600 -0.672 -2.077 1.00 0.00 C ATOM 855 CG2 VAL A 59 6.409 -0.808 -3.284 1.00 0.00 C ATOM 0 H VAL A 59 7.551 0.592 -5.133 1.00 0.00 H new ATOM 0 HA VAL A 59 9.611 -1.396 -4.419 1.00 0.00 H new ATOM 0 HB VAL A 59 7.779 -2.412 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.071 -0.820 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.596 -1.108 -2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.685 0.395 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.909 -0.953 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.435 0.255 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.863 -1.341 -4.062 1.00 0.00 H new ATOM 865 N VAL A 60 7.666 -1.548 -6.766 1.00 0.00 N ATOM 866 CA VAL A 60 7.078 -2.333 -7.845 1.00 0.00 C ATOM 867 C VAL A 60 7.847 -3.633 -8.059 1.00 0.00 C ATOM 868 O VAL A 60 7.295 -4.618 -8.548 1.00 0.00 O ATOM 869 CB VAL A 60 7.051 -1.542 -9.165 1.00 0.00 C ATOM 870 CG1 VAL A 60 8.407 -0.907 -9.435 1.00 0.00 C ATOM 871 CG2 VAL A 60 6.637 -2.444 -10.318 1.00 0.00 C ATOM 0 H VAL A 60 7.839 -0.571 -7.002 1.00 0.00 H new ATOM 0 HA VAL A 60 6.055 -2.563 -7.548 1.00 0.00 H new ATOM 0 HB VAL A 60 6.314 -0.744 -9.075 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.369 -0.352 -10.372 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.659 -0.227 -8.621 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.166 -1.686 -9.505 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.623 -1.868 -11.243 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.348 -3.265 -10.412 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.642 -2.846 -10.126 1.00 0.00 H new ATOM 881 N ALA A 61 9.123 -3.627 -7.689 1.00 0.00 N ATOM 882 CA ALA A 61 9.967 -4.805 -7.839 1.00 0.00 C ATOM 883 C ALA A 61 10.447 -5.313 -6.483 1.00 0.00 C ATOM 884 O ALA A 61 10.539 -6.520 -6.257 1.00 0.00 O ATOM 885 CB ALA A 61 11.154 -4.494 -8.738 1.00 0.00 C ATOM 0 H ALA A 61 9.595 -2.819 -7.283 1.00 0.00 H new ATOM 0 HA ALA A 61 9.371 -5.591 -8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 61 11.776 -5.384 -8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.796 -4.186 -9.720 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.743 -3.689 -8.298 1.00 0.00 H new ATOM 891 N THR A 62 10.752 -4.383 -5.583 1.00 0.00 N ATOM 892 CA THR A 62 11.224 -4.736 -4.250 1.00 0.00 C ATOM 893 C THR A 62 10.501 -5.969 -3.719 1.00 0.00 C ATOM 894 O THR A 62 9.292 -6.129 -3.887 1.00 0.00 O ATOM 895 CB THR A 62 11.029 -3.574 -3.259 1.00 0.00 C ATOM 896 OG1 THR A 62 11.790 -2.437 -3.680 1.00 0.00 O ATOM 897 CG2 THR A 62 11.452 -3.982 -1.856 1.00 0.00 C ATOM 0 H THR A 62 10.680 -3.380 -5.753 1.00 0.00 H new ATOM 0 HA THR A 62 12.289 -4.953 -4.339 1.00 0.00 H new ATOM 0 HB THR A 62 9.970 -3.315 -3.242 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.659 -1.702 -3.045 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.305 -3.145 -1.174 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.850 -4.829 -1.526 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.505 -4.265 -1.861 1.00 0.00 H new ATOM 905 N PRO A 63 11.257 -6.862 -3.062 1.00 0.00 N ATOM 906 CA PRO A 63 10.708 -8.096 -2.492 1.00 0.00 C ATOM 907 C PRO A 63 9.806 -7.829 -1.292 1.00 0.00 C ATOM 908 O PRO A 63 10.104 -6.975 -0.456 1.00 0.00 O ATOM 909 CB PRO A 63 11.954 -8.873 -2.062 1.00 0.00 C ATOM 910 CG PRO A 63 12.992 -7.829 -1.833 1.00 0.00 C ATOM 911 CD PRO A 63 12.704 -6.735 -2.825 1.00 0.00 C ATOM 0 HA PRO A 63 10.081 -8.631 -3.205 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.767 -9.451 -1.157 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.266 -9.579 -2.832 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.947 -7.451 -0.811 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.993 -8.235 -1.979 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.961 -5.754 -2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.275 -6.866 -3.744 1.00 0.00 H new ATOM 919 N HIS A 64 8.702 -8.564 -1.212 1.00 0.00 N ATOM 920 CA HIS A 64 7.756 -8.407 -0.112 1.00 0.00 C ATOM 921 C HIS A 64 8.490 -8.207 1.211 1.00 0.00 C ATOM 922 O HIS A 64 8.286 -7.209 1.900 1.00 0.00 O ATOM 923 CB HIS A 64 6.840 -9.627 -0.021 1.00 0.00 C ATOM 924 CG HIS A 64 6.080 -9.711 1.267 1.00 0.00 C ATOM 925 ND1 HIS A 64 4.704 -9.777 1.326 1.00 0.00 N ATOM 926 CD2 HIS A 64 6.512 -9.741 2.550 1.00 0.00 C ATOM 927 CE1 HIS A 64 4.322 -9.842 2.589 1.00 0.00 C ATOM 928 NE2 HIS A 64 5.400 -9.822 3.352 1.00 0.00 N ATOM 0 H HIS A 64 8.440 -9.274 -1.895 1.00 0.00 H new ATOM 0 HA HIS A 64 7.151 -7.522 -0.309 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.132 -9.602 -0.850 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.439 -10.530 -0.140 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.539 -9.707 2.881 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.302 -9.901 2.938 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.406 -9.860 4.371 1.00 0.00 H new ATOM 936 N ALA A 65 9.344 -9.164 1.558 1.00 0.00 N ATOM 937 CA ALA A 65 10.109 -9.093 2.797 1.00 0.00 C ATOM 938 C ALA A 65 10.508 -7.655 3.114 1.00 0.00 C ATOM 939 O ALA A 65 10.188 -7.133 4.182 1.00 0.00 O ATOM 940 CB ALA A 65 11.344 -9.977 2.707 1.00 0.00 C ATOM 0 H ALA A 65 9.524 -9.998 0.999 1.00 0.00 H new ATOM 0 HA ALA A 65 9.475 -9.454 3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.905 -9.914 3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.041 -11.010 2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.972 -9.642 1.882 1.00 0.00 H new ATOM 946 N ARG A 66 11.208 -7.021 2.179 1.00 0.00 N ATOM 947 CA ARG A 66 11.652 -5.644 2.360 1.00 0.00 C ATOM 948 C ARG A 66 10.460 -4.701 2.494 1.00 0.00 C ATOM 949 O ARG A 66 10.423 -3.855 3.388 1.00 0.00 O ATOM 950 CB ARG A 66 12.530 -5.210 1.185 1.00 0.00 C ATOM 951 CG ARG A 66 12.851 -3.724 1.180 1.00 0.00 C ATOM 952 CD ARG A 66 13.751 -3.346 2.346 1.00 0.00 C ATOM 953 NE ARG A 66 14.598 -2.198 2.034 1.00 0.00 N ATOM 954 CZ ARG A 66 15.204 -1.459 2.956 1.00 0.00 C ATOM 955 NH1 ARG A 66 15.058 -1.746 4.242 1.00 0.00 N ATOM 956 NH2 ARG A 66 15.959 -0.430 2.593 1.00 0.00 N ATOM 0 H ARG A 66 11.480 -7.439 1.289 1.00 0.00 H new ATOM 0 HA ARG A 66 12.236 -5.595 3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.462 -5.774 1.211 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.028 -5.468 0.253 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.338 -3.459 0.242 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.926 -3.150 1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.138 -3.118 3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.378 -4.198 2.611 1.00 0.00 H new ATOM 0 HE ARG A 66 14.732 -1.950 1.054 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.479 -2.536 4.526 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.525 -1.177 4.948 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.074 -0.206 1.605 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.424 0.137 3.302 1.00 0.00 H new ATOM 970 N ILE A 67 9.489 -4.853 1.600 1.00 0.00 N ATOM 971 CA ILE A 67 8.296 -4.016 1.619 1.00 0.00 C ATOM 972 C ILE A 67 7.730 -3.898 3.030 1.00 0.00 C ATOM 973 O ILE A 67 7.358 -2.810 3.471 1.00 0.00 O ATOM 974 CB ILE A 67 7.205 -4.570 0.684 1.00 0.00 C ATOM 975 CG1 ILE A 67 7.707 -4.601 -0.761 1.00 0.00 C ATOM 976 CG2 ILE A 67 5.939 -3.733 0.793 1.00 0.00 C ATOM 977 CD1 ILE A 67 6.829 -5.410 -1.689 1.00 0.00 C ATOM 0 H ILE A 67 9.505 -5.548 0.854 1.00 0.00 H new ATOM 0 HA ILE A 67 8.597 -3.029 1.267 1.00 0.00 H new ATOM 0 HB ILE A 67 6.970 -5.590 0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.774 -3.580 -1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.716 -5.013 -0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.177 -4.137 0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.573 -3.758 1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.158 -2.703 0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.246 -5.387 -2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.782 -6.441 -1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.825 -4.985 -1.702 1.00 0.00 H new ATOM 989 N ILE A 68 7.668 -5.024 3.732 1.00 0.00 N ATOM 990 CA ILE A 68 7.150 -5.047 5.095 1.00 0.00 C ATOM 991 C ILE A 68 8.004 -4.190 6.022 1.00 0.00 C ATOM 992 O ILE A 68 7.482 -3.447 6.853 1.00 0.00 O ATOM 993 CB ILE A 68 7.089 -6.482 5.650 1.00 0.00 C ATOM 994 CG1 ILE A 68 6.322 -7.392 4.689 1.00 0.00 C ATOM 995 CG2 ILE A 68 6.441 -6.490 7.027 1.00 0.00 C ATOM 996 CD1 ILE A 68 4.839 -7.098 4.632 1.00 0.00 C ATOM 0 H ILE A 68 7.970 -5.932 3.380 1.00 0.00 H new ATOM 0 HA ILE A 68 6.140 -4.639 5.056 1.00 0.00 H new ATOM 0 HB ILE A 68 8.106 -6.862 5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.743 -7.288 3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.467 -8.429 4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.405 -7.511 7.406 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.025 -5.871 7.708 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.428 -6.094 6.955 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.359 -7.781 3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.404 -7.230 5.623 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.684 -6.071 4.301 1.00 0.00 H new ATOM 1008 N GLU A 69 9.321 -4.297 5.872 1.00 0.00 N ATOM 1009 CA GLU A 69 10.248 -3.531 6.696 1.00 0.00 C ATOM 1010 C GLU A 69 10.045 -2.032 6.493 1.00 0.00 C ATOM 1011 O GLU A 69 10.133 -1.248 7.439 1.00 0.00 O ATOM 1012 CB GLU A 69 11.693 -3.910 6.366 1.00 0.00 C ATOM 1013 CG GLU A 69 12.223 -5.068 7.195 1.00 0.00 C ATOM 1014 CD GLU A 69 11.961 -6.415 6.551 1.00 0.00 C ATOM 1015 OE1 GLU A 69 12.770 -6.831 5.696 1.00 0.00 O ATOM 1016 OE2 GLU A 69 10.946 -7.054 6.902 1.00 0.00 O ATOM 0 H GLU A 69 9.769 -4.906 5.188 1.00 0.00 H new ATOM 0 HA GLU A 69 10.047 -3.770 7.740 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.759 -4.170 5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.332 -3.041 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.296 -4.943 7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.760 -5.045 8.182 1.00 0.00 H new ATOM 1023 N LEU A 70 9.774 -1.640 5.253 1.00 0.00 N ATOM 1024 CA LEU A 70 9.559 -0.236 4.924 1.00 0.00 C ATOM 1025 C LEU A 70 8.243 0.266 5.510 1.00 0.00 C ATOM 1026 O LEU A 70 8.231 1.114 6.402 1.00 0.00 O ATOM 1027 CB LEU A 70 9.562 -0.041 3.407 1.00 0.00 C ATOM 1028 CG LEU A 70 10.934 -0.057 2.731 1.00 0.00 C ATOM 1029 CD1 LEU A 70 10.783 -0.051 1.218 1.00 0.00 C ATOM 1030 CD2 LEU A 70 11.769 1.129 3.190 1.00 0.00 C ATOM 0 H LEU A 70 9.698 -2.275 4.459 1.00 0.00 H new ATOM 0 HA LEU A 70 10.373 0.342 5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.949 -0.823 2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.079 0.910 3.182 1.00 0.00 H new ATOM 0 HG LEU A 70 11.450 -0.972 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.769 -0.063 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.224 -0.933 0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.247 0.847 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.742 1.101 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.258 2.056 2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.907 1.081 4.270 1.00 0.00 H new ATOM 1042 N LEU A 71 7.135 -0.266 5.003 1.00 0.00 N ATOM 1043 CA LEU A 71 5.813 0.126 5.477 1.00 0.00 C ATOM 1044 C LEU A 71 5.791 0.240 6.998 1.00 0.00 C ATOM 1045 O LEU A 71 5.204 1.169 7.554 1.00 0.00 O ATOM 1046 CB LEU A 71 4.763 -0.887 5.016 1.00 0.00 C ATOM 1047 CG LEU A 71 4.132 -0.624 3.648 1.00 0.00 C ATOM 1048 CD1 LEU A 71 3.349 -1.840 3.179 1.00 0.00 C ATOM 1049 CD2 LEU A 71 3.233 0.603 3.703 1.00 0.00 C ATOM 0 H LEU A 71 7.127 -0.969 4.264 1.00 0.00 H new ATOM 0 HA LEU A 71 5.578 1.103 5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.224 -1.875 4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.968 -0.920 5.760 1.00 0.00 H new ATOM 0 HG LEU A 71 4.931 -0.433 2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.907 -1.634 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.019 -2.696 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.559 -2.062 3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.792 0.775 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.440 0.441 4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.822 1.473 3.994 1.00 0.00 H new ATOM 1061 N THR A 72 6.437 -0.710 7.667 1.00 0.00 N ATOM 1062 CA THR A 72 6.493 -0.716 9.123 1.00 0.00 C ATOM 1063 C THR A 72 7.262 0.491 9.649 1.00 0.00 C ATOM 1064 O THR A 72 6.796 1.191 10.548 1.00 0.00 O ATOM 1065 CB THR A 72 7.154 -2.002 9.655 1.00 0.00 C ATOM 1066 OG1 THR A 72 6.400 -3.147 9.242 1.00 0.00 O ATOM 1067 CG2 THR A 72 7.252 -1.973 11.173 1.00 0.00 C ATOM 0 H THR A 72 6.929 -1.485 7.223 1.00 0.00 H new ATOM 0 HA THR A 72 5.464 -0.671 9.478 1.00 0.00 H new ATOM 0 HB THR A 72 8.161 -2.063 9.244 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.809 -3.537 8.441 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.722 -2.891 11.525 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.851 -1.117 11.483 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.253 -1.890 11.601 1.00 0.00 H new ATOM 1075 N GLU A 73 8.440 0.729 9.082 1.00 0.00 N ATOM 1076 CA GLU A 73 9.273 1.853 9.495 1.00 0.00 C ATOM 1077 C GLU A 73 8.515 3.170 9.357 1.00 0.00 C ATOM 1078 O GLU A 73 8.698 4.090 10.154 1.00 0.00 O ATOM 1079 CB GLU A 73 10.555 1.899 8.662 1.00 0.00 C ATOM 1080 CG GLU A 73 11.629 0.939 9.143 1.00 0.00 C ATOM 1081 CD GLU A 73 12.145 1.286 10.526 1.00 0.00 C ATOM 1082 OE1 GLU A 73 12.681 2.401 10.697 1.00 0.00 O ATOM 1083 OE2 GLU A 73 12.012 0.442 11.437 1.00 0.00 O ATOM 0 H GLU A 73 8.839 0.159 8.336 1.00 0.00 H new ATOM 0 HA GLU A 73 9.535 1.713 10.544 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.312 1.669 7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.953 2.914 8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.227 -0.074 9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.460 0.946 8.437 1.00 0.00 H new ATOM 1090 N ALA A 74 7.665 3.254 8.339 1.00 0.00 N ATOM 1091 CA ALA A 74 6.879 4.457 8.097 1.00 0.00 C ATOM 1092 C ALA A 74 5.933 4.738 9.259 1.00 0.00 C ATOM 1093 O ALA A 74 5.010 3.966 9.522 1.00 0.00 O ATOM 1094 CB ALA A 74 6.097 4.324 6.798 1.00 0.00 C ATOM 0 H ALA A 74 7.503 2.503 7.668 1.00 0.00 H new ATOM 0 HA ALA A 74 7.566 5.299 8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.514 5.230 6.630 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.790 4.179 5.969 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.426 3.468 6.863 1.00 0.00 H new ATOM 1100 N TYR A 75 6.168 5.846 9.952 1.00 0.00 N ATOM 1101 CA TYR A 75 5.338 6.227 11.089 1.00 0.00 C ATOM 1102 C TYR A 75 4.427 7.397 10.730 1.00 0.00 C ATOM 1103 O TYR A 75 4.641 8.083 9.731 1.00 0.00 O ATOM 1104 CB TYR A 75 6.215 6.598 12.286 1.00 0.00 C ATOM 1105 CG TYR A 75 7.515 5.828 12.345 1.00 0.00 C ATOM 1106 CD1 TYR A 75 7.582 4.587 12.967 1.00 0.00 C ATOM 1107 CD2 TYR A 75 8.676 6.341 11.781 1.00 0.00 C ATOM 1108 CE1 TYR A 75 8.768 3.880 13.025 1.00 0.00 C ATOM 1109 CE2 TYR A 75 9.866 5.641 11.832 1.00 0.00 C ATOM 1110 CZ TYR A 75 9.906 4.411 12.455 1.00 0.00 C ATOM 1111 OH TYR A 75 11.090 3.710 12.510 1.00 0.00 O ATOM 0 H TYR A 75 6.926 6.496 9.747 1.00 0.00 H new ATOM 0 HA TYR A 75 4.715 5.373 11.354 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.436 7.665 12.248 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.655 6.421 13.205 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.692 4.168 13.413 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.648 7.304 11.294 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.803 2.918 13.514 1.00 0.00 H new ATOM 0 HE2 TYR A 75 10.759 6.054 11.387 1.00 0.00 H new ATOM 0 HH TYR A 75 11.374 3.476 11.602 1.00 0.00 H new ATOM 1121 N GLY A 76 3.408 7.620 11.555 1.00 0.00 N ATOM 1122 CA GLY A 76 2.479 8.707 11.310 1.00 0.00 C ATOM 1123 C GLY A 76 1.886 8.660 9.916 1.00 0.00 C ATOM 1124 O GLY A 76 1.096 7.771 9.600 1.00 0.00 O ATOM 0 H GLY A 76 3.210 7.067 12.389 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.675 8.666 12.045 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.992 9.658 11.451 1.00 0.00 H new ATOM 1128 N GLU A 77 2.268 9.621 9.080 1.00 0.00 N ATOM 1129 CA GLU A 77 1.766 9.686 7.712 1.00 0.00 C ATOM 1130 C GLU A 77 2.390 8.592 6.851 1.00 0.00 C ATOM 1131 O GLU A 77 3.613 8.488 6.749 1.00 0.00 O ATOM 1132 CB GLU A 77 2.058 11.059 7.103 1.00 0.00 C ATOM 1133 CG GLU A 77 1.049 11.485 6.050 1.00 0.00 C ATOM 1134 CD GLU A 77 1.239 12.923 5.608 1.00 0.00 C ATOM 1135 OE1 GLU A 77 1.552 13.772 6.470 1.00 0.00 O ATOM 1136 OE2 GLU A 77 1.075 13.201 4.402 1.00 0.00 O ATOM 0 H GLU A 77 2.922 10.364 9.326 1.00 0.00 H new ATOM 0 HA GLU A 77 0.687 9.531 7.740 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.076 11.804 7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.052 11.045 6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.134 10.828 5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.041 11.361 6.446 1.00 0.00 H new ATOM 1143 N VAL A 78 1.541 7.777 6.232 1.00 0.00 N ATOM 1144 CA VAL A 78 2.008 6.691 5.380 1.00 0.00 C ATOM 1145 C VAL A 78 1.381 6.773 3.992 1.00 0.00 C ATOM 1146 O VAL A 78 0.207 6.445 3.809 1.00 0.00 O ATOM 1147 CB VAL A 78 1.687 5.316 5.996 1.00 0.00 C ATOM 1148 CG1 VAL A 78 1.940 4.206 4.987 1.00 0.00 C ATOM 1149 CG2 VAL A 78 2.505 5.095 7.259 1.00 0.00 C ATOM 0 H VAL A 78 0.526 7.849 6.305 1.00 0.00 H new ATOM 0 HA VAL A 78 3.089 6.799 5.294 1.00 0.00 H new ATOM 0 HB VAL A 78 0.631 5.296 6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.708 3.242 5.440 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.307 4.358 4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.987 4.221 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.266 4.119 7.681 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.567 5.135 7.016 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.269 5.872 7.986 1.00 0.00 H new ATOM 1159 N HIS A 79 2.170 7.211 3.017 1.00 0.00 N ATOM 1160 CA HIS A 79 1.692 7.335 1.644 1.00 0.00 C ATOM 1161 C HIS A 79 1.841 6.014 0.896 1.00 0.00 C ATOM 1162 O HIS A 79 2.954 5.590 0.582 1.00 0.00 O ATOM 1163 CB HIS A 79 2.457 8.438 0.913 1.00 0.00 C ATOM 1164 CG HIS A 79 1.971 9.818 1.233 1.00 0.00 C ATOM 1165 ND1 HIS A 79 1.292 10.606 0.328 1.00 0.00 N ATOM 1166 CD2 HIS A 79 2.067 10.549 2.368 1.00 0.00 C ATOM 1167 CE1 HIS A 79 0.993 11.763 0.891 1.00 0.00 C ATOM 1168 NE2 HIS A 79 1.452 11.754 2.130 1.00 0.00 N ATOM 0 H HIS A 79 3.143 7.486 3.151 1.00 0.00 H new ATOM 0 HA HIS A 79 0.634 7.597 1.676 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.514 8.366 1.168 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.377 8.274 -0.162 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.539 10.242 3.289 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.464 12.577 0.419 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.364 12.518 2.801 1.00 0.00 H new ATOM 1176 N ILE A 80 0.714 5.369 0.614 1.00 0.00 N ATOM 1177 CA ILE A 80 0.720 4.097 -0.098 1.00 0.00 C ATOM 1178 C ILE A 80 0.102 4.239 -1.484 1.00 0.00 C ATOM 1179 O ILE A 80 -1.089 4.519 -1.619 1.00 0.00 O ATOM 1180 CB ILE A 80 -0.043 3.011 0.684 1.00 0.00 C ATOM 1181 CG1 ILE A 80 0.702 2.660 1.973 1.00 0.00 C ATOM 1182 CG2 ILE A 80 -0.233 1.772 -0.179 1.00 0.00 C ATOM 1183 CD1 ILE A 80 -0.071 1.734 2.885 1.00 0.00 C ATOM 0 H ILE A 80 -0.215 5.706 0.868 1.00 0.00 H new ATOM 0 HA ILE A 80 1.763 3.796 -0.198 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.026 3.399 0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.654 2.194 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.932 3.579 2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.774 1.014 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.802 2.034 -1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.741 1.380 -0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.518 1.528 3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.011 2.206 3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.278 0.799 2.364 1.00 0.00 H new ATOM 1195 N LYS A 81 0.919 4.043 -2.513 1.00 0.00 N ATOM 1196 CA LYS A 81 0.453 4.146 -3.891 1.00 0.00 C ATOM 1197 C LYS A 81 -0.056 2.800 -4.395 1.00 0.00 C ATOM 1198 O LYS A 81 0.728 1.892 -4.675 1.00 0.00 O ATOM 1199 CB LYS A 81 1.581 4.648 -4.796 1.00 0.00 C ATOM 1200 CG LYS A 81 1.089 5.270 -6.092 1.00 0.00 C ATOM 1201 CD LYS A 81 2.126 6.206 -6.689 1.00 0.00 C ATOM 1202 CE LYS A 81 1.985 7.617 -6.139 1.00 0.00 C ATOM 1203 NZ LYS A 81 3.244 8.399 -6.288 1.00 0.00 N ATOM 0 H LYS A 81 1.908 3.812 -2.419 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.371 4.859 -3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.173 5.384 -4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.245 3.816 -5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.853 4.483 -6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.166 5.819 -5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.126 5.828 -6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.019 6.225 -7.774 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.175 8.130 -6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.709 7.570 -5.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.107 9.355 -5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.011 7.923 -5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.494 8.466 -7.295 1.00 0.00 H new ATOM 1217 N THR A 82 -1.375 2.677 -4.511 1.00 0.00 N ATOM 1218 CA THR A 82 -1.989 1.442 -4.982 1.00 0.00 C ATOM 1219 C THR A 82 -2.285 1.510 -6.476 1.00 0.00 C ATOM 1220 O THR A 82 -2.611 2.572 -7.006 1.00 0.00 O ATOM 1221 CB THR A 82 -3.296 1.139 -4.225 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.091 2.326 -4.128 1.00 0.00 O ATOM 1223 CG2 THR A 82 -3.002 0.604 -2.832 1.00 0.00 C ATOM 0 H THR A 82 -2.038 3.418 -4.285 1.00 0.00 H new ATOM 0 HA THR A 82 -1.274 0.642 -4.792 1.00 0.00 H new ATOM 0 HB THR A 82 -3.845 0.379 -4.780 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.921 2.125 -3.647 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.940 0.397 -2.316 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.421 -0.315 -2.910 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.435 1.346 -2.270 1.00 0.00 H new ATOM 1231 N MET A 83 -2.170 0.370 -7.150 1.00 0.00 N ATOM 1232 CA MET A 83 -2.428 0.301 -8.584 1.00 0.00 C ATOM 1233 C MET A 83 -3.029 -1.048 -8.964 1.00 0.00 C ATOM 1234 O MET A 83 -2.588 -2.102 -8.505 1.00 0.00 O ATOM 1235 CB MET A 83 -1.135 0.536 -9.368 1.00 0.00 C ATOM 1236 CG MET A 83 -1.337 0.575 -10.874 1.00 0.00 C ATOM 1237 SD MET A 83 -1.771 2.219 -11.474 1.00 0.00 S ATOM 1238 CE MET A 83 -1.192 2.127 -13.166 1.00 0.00 C ATOM 0 H MET A 83 -1.900 -0.518 -6.727 1.00 0.00 H new ATOM 0 HA MET A 83 -3.145 1.082 -8.837 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.690 1.477 -9.045 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.424 -0.253 -9.125 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.424 0.241 -11.368 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.124 -0.127 -11.150 1.00 0.00 H new ATOM 0 HE1 MET A 83 -1.699 2.883 -13.766 1.00 0.00 H new ATOM 0 HE2 MET A 83 -0.117 2.304 -13.193 1.00 0.00 H new ATOM 0 HE3 MET A 83 -1.407 1.138 -13.571 1.00 0.00 H new ATOM 1248 N PRO A 84 -4.060 -1.017 -9.821 1.00 0.00 N ATOM 1249 CA PRO A 84 -4.744 -2.230 -10.282 1.00 0.00 C ATOM 1250 C PRO A 84 -3.872 -3.070 -11.208 1.00 0.00 C ATOM 1251 O PRO A 84 -3.415 -2.595 -12.247 1.00 0.00 O ATOM 1252 CB PRO A 84 -5.958 -1.687 -11.038 1.00 0.00 C ATOM 1253 CG PRO A 84 -5.551 -0.323 -11.480 1.00 0.00 C ATOM 1254 CD PRO A 84 -4.638 0.204 -10.408 1.00 0.00 C ATOM 0 HA PRO A 84 -5.001 -2.892 -9.455 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.210 -2.320 -11.889 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.839 -1.649 -10.397 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -5.041 -0.361 -12.443 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.420 0.323 -11.604 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.867 0.855 -10.821 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.184 0.787 -9.666 1.00 0.00 H new ATOM 1262 N ALA A 85 -3.644 -4.322 -10.824 1.00 0.00 N ATOM 1263 CA ALA A 85 -2.829 -5.230 -11.622 1.00 0.00 C ATOM 1264 C ALA A 85 -3.206 -5.153 -13.097 1.00 0.00 C ATOM 1265 O ALA A 85 -2.342 -5.203 -13.972 1.00 0.00 O ATOM 1266 CB ALA A 85 -2.973 -6.656 -11.111 1.00 0.00 C ATOM 0 H ALA A 85 -4.012 -4.731 -9.965 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.787 -4.925 -11.524 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.359 -7.323 -11.716 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.647 -6.705 -10.072 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.017 -6.963 -11.178 1.00 0.00 H new ATOM 1272 N ALA A 86 -4.502 -5.032 -13.367 1.00 0.00 N ATOM 1273 CA ALA A 86 -4.993 -4.948 -14.736 1.00 0.00 C ATOM 1274 C ALA A 86 -4.287 -3.836 -15.505 1.00 0.00 C ATOM 1275 O ALA A 86 -3.507 -4.098 -16.421 1.00 0.00 O ATOM 1276 CB ALA A 86 -6.498 -4.724 -14.745 1.00 0.00 C ATOM 0 H ALA A 86 -5.231 -4.990 -12.655 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.774 -5.894 -15.232 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.851 -4.663 -15.775 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.992 -5.554 -14.240 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.731 -3.794 -14.226 1.00 0.00 H new ATOM 1282 N THR A 87 -4.565 -2.592 -15.127 1.00 0.00 N ATOM 1283 CA THR A 87 -3.958 -1.440 -15.781 1.00 0.00 C ATOM 1284 C THR A 87 -2.440 -1.572 -15.830 1.00 0.00 C ATOM 1285 O THR A 87 -1.848 -1.660 -16.906 1.00 0.00 O ATOM 1286 CB THR A 87 -4.325 -0.128 -15.064 1.00 0.00 C ATOM 1287 OG1 THR A 87 -5.747 -0.023 -14.932 1.00 0.00 O ATOM 1288 CG2 THR A 87 -3.792 1.074 -15.828 1.00 0.00 C ATOM 0 H THR A 87 -5.207 -2.357 -14.370 1.00 0.00 H new ATOM 0 HA THR A 87 -4.351 -1.411 -16.797 1.00 0.00 H new ATOM 0 HB THR A 87 -3.868 -0.141 -14.074 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.972 0.813 -14.473 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.064 1.989 -15.302 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.707 1.006 -15.901 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.223 1.089 -16.829 1.00 0.00 H new ATOM 1296 N TYR A 88 -1.815 -1.585 -14.658 1.00 0.00 N ATOM 1297 CA TYR A 88 -0.364 -1.704 -14.567 1.00 0.00 C ATOM 1298 C TYR A 88 0.156 -2.774 -15.522 1.00 0.00 C ATOM 1299 O TYR A 88 0.989 -2.500 -16.385 1.00 0.00 O ATOM 1300 CB TYR A 88 0.052 -2.039 -13.133 1.00 0.00 C ATOM 1301 CG TYR A 88 1.415 -1.503 -12.758 1.00 0.00 C ATOM 1302 CD1 TYR A 88 1.747 -0.173 -12.985 1.00 0.00 C ATOM 1303 CD2 TYR A 88 2.371 -2.327 -12.177 1.00 0.00 C ATOM 1304 CE1 TYR A 88 2.992 0.321 -12.645 1.00 0.00 C ATOM 1305 CE2 TYR A 88 3.618 -1.841 -11.832 1.00 0.00 C ATOM 1306 CZ TYR A 88 3.923 -0.517 -12.068 1.00 0.00 C ATOM 1307 OH TYR A 88 5.164 -0.030 -11.727 1.00 0.00 O ATOM 0 H TYR A 88 -2.290 -1.515 -13.758 1.00 0.00 H new ATOM 0 HA TYR A 88 0.072 -0.746 -14.851 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.690 -1.635 -12.444 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.049 -3.122 -13.006 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.019 0.486 -13.435 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.136 -3.365 -11.992 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.234 1.357 -12.830 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.350 -2.495 -11.380 1.00 0.00 H new ATOM 0 HH TYR A 88 5.187 0.162 -10.766 1.00 0.00 H new ATOM 1317 N ARG A 89 -0.344 -3.995 -15.360 1.00 0.00 N ATOM 1318 CA ARG A 89 0.069 -5.108 -16.207 1.00 0.00 C ATOM 1319 C ARG A 89 0.019 -4.717 -17.681 1.00 0.00 C ATOM 1320 O ARG A 89 0.959 -4.973 -18.435 1.00 0.00 O ATOM 1321 CB ARG A 89 -0.825 -6.324 -15.960 1.00 0.00 C ATOM 1322 CG ARG A 89 -0.571 -7.005 -14.625 1.00 0.00 C ATOM 1323 CD ARG A 89 0.479 -8.098 -14.748 1.00 0.00 C ATOM 1324 NE ARG A 89 0.028 -9.198 -15.595 1.00 0.00 N ATOM 1325 CZ ARG A 89 0.810 -10.204 -15.971 1.00 0.00 C ATOM 1326 NH1 ARG A 89 2.075 -10.248 -15.577 1.00 0.00 N ATOM 1327 NH2 ARG A 89 0.327 -11.169 -16.743 1.00 0.00 N ATOM 0 H ARG A 89 -1.035 -4.238 -14.651 1.00 0.00 H new ATOM 0 HA ARG A 89 1.097 -5.364 -15.952 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.869 -6.013 -16.007 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.671 -7.046 -16.762 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.244 -6.265 -13.894 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.501 -7.433 -14.251 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.395 -7.675 -15.160 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.722 -8.480 -13.757 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.940 -9.194 -15.916 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.450 -9.508 -14.984 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.673 -11.022 -15.867 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.646 -11.139 -17.048 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.928 -11.941 -17.031 1.00 0.00 H new ATOM 1341 N LEU A 90 -1.084 -4.097 -18.086 1.00 0.00 N ATOM 1342 CA LEU A 90 -1.258 -3.671 -19.470 1.00 0.00 C ATOM 1343 C LEU A 90 -0.174 -2.676 -19.874 1.00 0.00 C ATOM 1344 O LEU A 90 0.324 -2.707 -21.001 1.00 0.00 O ATOM 1345 CB LEU A 90 -2.639 -3.042 -19.661 1.00 0.00 C ATOM 1346 CG LEU A 90 -3.780 -4.011 -19.974 1.00 0.00 C ATOM 1347 CD1 LEU A 90 -5.111 -3.431 -19.523 1.00 0.00 C ATOM 1348 CD2 LEU A 90 -3.813 -4.334 -21.460 1.00 0.00 C ATOM 0 H LEU A 90 -1.871 -3.878 -17.475 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.174 -4.551 -20.108 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.894 -2.492 -18.755 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.576 -2.313 -20.469 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.606 -4.937 -19.426 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.911 -4.134 -19.754 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.084 -3.252 -18.448 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.293 -2.491 -20.043 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.631 -5.025 -21.664 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.963 -3.416 -22.029 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.869 -4.793 -21.754 1.00 0.00 H new ATOM 1360 N LEU A 91 0.190 -1.797 -18.948 1.00 0.00 N ATOM 1361 CA LEU A 91 1.217 -0.794 -19.206 1.00 0.00 C ATOM 1362 C LEU A 91 2.594 -1.441 -19.320 1.00 0.00 C ATOM 1363 O LEU A 91 3.430 -1.013 -20.116 1.00 0.00 O ATOM 1364 CB LEU A 91 1.225 0.255 -18.093 1.00 0.00 C ATOM 1365 CG LEU A 91 -0.128 0.876 -17.746 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -0.122 1.409 -16.322 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -0.475 1.984 -18.730 1.00 0.00 C ATOM 0 H LEU A 91 -0.211 -1.758 -18.011 1.00 0.00 H new ATOM 0 HA LEU A 91 0.985 -0.308 -20.153 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.634 -0.203 -17.192 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.907 1.056 -18.381 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.891 0.101 -17.819 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.094 1.847 -16.093 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.080 0.592 -15.629 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.652 2.170 -16.222 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.441 2.414 -18.467 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.290 2.759 -18.690 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.523 1.573 -19.738 1.00 0.00 H new