USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 656 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 42 THR OG1 : rot -38:sc= 1.23 USER MOD Set 1.2: A 56 ASN : amide:sc= 0.589 K(o=1.8,f=-5.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0321 USER MOD Single : A 8 ASN : amide:sc= -0.213 K(o=-0.21,f=-2.4!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -130:sc= -0.565 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00451) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.51) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 82 LYS NZ :NH3+ 146:sc= -0.236 (180deg=-1.83) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.177 23.128 17.943 1.00 0.00 N ATOM 2 CA MET A 1 6.427 23.398 19.389 1.00 0.00 C ATOM 3 C MET A 1 5.115 23.326 20.175 1.00 0.00 C ATOM 4 O MET A 1 4.718 24.271 20.826 1.00 0.00 O ATOM 5 CB MET A 1 7.001 24.814 19.433 1.00 0.00 C ATOM 6 CG MET A 1 7.318 25.192 20.882 1.00 0.00 C ATOM 7 SD MET A 1 8.828 26.188 20.929 1.00 0.00 S ATOM 8 CE MET A 1 9.619 25.341 22.317 1.00 0.00 C ATOM 0 H1 MET A 1 7.074 23.180 17.420 1.00 0.00 H new ATOM 0 H2 MET A 1 5.766 22.179 17.833 1.00 0.00 H new ATOM 0 H3 MET A 1 5.516 23.837 17.567 1.00 0.00 H new ATOM 0 HA MET A 1 7.104 22.669 19.835 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.904 24.871 18.825 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.287 25.520 19.010 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.487 25.751 21.313 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.444 24.292 21.485 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.585 25.802 22.522 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.985 25.419 23.200 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.765 24.290 22.067 1.00 0.00 H new ATOM 20 N LYS A 2 4.439 22.210 20.119 1.00 0.00 N ATOM 21 CA LYS A 2 3.155 22.080 20.865 1.00 0.00 C ATOM 22 C LYS A 2 3.106 20.739 21.602 1.00 0.00 C ATOM 23 O LYS A 2 3.638 19.748 21.144 1.00 0.00 O ATOM 24 CB LYS A 2 2.066 22.142 19.791 1.00 0.00 C ATOM 25 CG LYS A 2 1.049 23.224 20.158 1.00 0.00 C ATOM 26 CD LYS A 2 0.541 23.902 18.883 1.00 0.00 C ATOM 27 CE LYS A 2 1.449 25.087 18.538 1.00 0.00 C ATOM 28 NZ LYS A 2 0.643 26.295 18.864 1.00 0.00 N ATOM 0 H LYS A 2 4.720 21.384 19.590 1.00 0.00 H new ATOM 0 HA LYS A 2 3.032 22.860 21.616 1.00 0.00 H new ATOM 0 HB2 LYS A 2 2.510 22.360 18.820 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.570 21.175 19.705 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.215 22.784 20.705 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.508 23.961 20.816 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.528 23.188 18.059 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.484 24.245 19.024 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.372 25.060 19.118 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.733 25.074 17.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.198 27.149 18.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.226 26.297 18.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.393 26.284 19.873 1.00 0.00 H new ATOM 42 N LEU A 3 2.475 20.702 22.743 1.00 0.00 N ATOM 43 CA LEU A 3 2.396 19.425 23.510 1.00 0.00 C ATOM 44 C LEU A 3 1.450 18.445 22.810 1.00 0.00 C ATOM 45 O LEU A 3 0.772 18.791 21.863 1.00 0.00 O ATOM 46 CB LEU A 3 1.844 19.819 24.881 1.00 0.00 C ATOM 47 CG LEU A 3 2.964 19.750 25.921 1.00 0.00 C ATOM 48 CD1 LEU A 3 3.705 21.089 25.963 1.00 0.00 C ATOM 49 CD2 LEU A 3 2.364 19.457 27.297 1.00 0.00 C ATOM 0 H LEU A 3 2.011 21.499 23.178 1.00 0.00 H new ATOM 0 HA LEU A 3 3.364 18.930 23.588 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.431 20.827 24.842 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.030 19.151 25.163 1.00 0.00 H new ATOM 0 HG LEU A 3 3.661 18.957 25.652 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.503 21.040 26.704 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.132 21.299 24.983 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.008 21.882 26.232 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.161 19.408 28.039 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.667 20.250 27.566 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.836 18.504 27.268 1.00 0.00 H new ATOM 61 N LYS A 4 1.399 17.224 23.269 1.00 0.00 N ATOM 62 CA LYS A 4 0.498 16.224 22.629 1.00 0.00 C ATOM 63 C LYS A 4 -0.087 15.284 23.688 1.00 0.00 C ATOM 64 O LYS A 4 0.202 15.402 24.863 1.00 0.00 O ATOM 65 CB LYS A 4 1.391 15.449 21.659 1.00 0.00 C ATOM 66 CG LYS A 4 2.574 14.850 22.421 1.00 0.00 C ATOM 67 CD LYS A 4 3.780 15.784 22.306 1.00 0.00 C ATOM 68 CE LYS A 4 4.652 15.352 21.124 1.00 0.00 C ATOM 69 NZ LYS A 4 5.883 14.782 21.741 1.00 0.00 N ATOM 0 H LYS A 4 1.942 16.876 24.059 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.344 16.693 22.121 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.819 14.658 21.175 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.750 16.111 20.871 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.310 14.706 23.469 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.821 13.868 22.017 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.445 16.812 22.167 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.361 15.760 23.228 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.142 14.613 20.506 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.889 16.198 20.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.531 14.463 20.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.351 15.510 22.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.627 13.974 22.344 1.00 0.00 H new ATOM 83 N VAL A 5 -0.907 14.352 23.284 1.00 0.00 N ATOM 84 CA VAL A 5 -1.507 13.409 24.272 1.00 0.00 C ATOM 85 C VAL A 5 -0.728 12.090 24.287 1.00 0.00 C ATOM 86 O VAL A 5 -0.232 11.639 23.273 1.00 0.00 O ATOM 87 CB VAL A 5 -2.943 13.185 23.790 1.00 0.00 C ATOM 88 CG1 VAL A 5 -3.652 14.534 23.663 1.00 0.00 C ATOM 89 CG2 VAL A 5 -2.931 12.486 22.427 1.00 0.00 C ATOM 0 H VAL A 5 -1.187 14.203 22.315 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.479 13.803 25.288 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.470 12.559 24.510 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.675 14.377 23.320 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.667 15.030 24.634 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.120 15.158 22.945 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.955 12.329 22.089 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.402 13.107 21.704 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.427 11.524 22.516 1.00 0.00 H new ATOM 99 N THR A 6 -0.621 11.467 25.428 1.00 0.00 N ATOM 100 CA THR A 6 0.124 10.177 25.506 1.00 0.00 C ATOM 101 C THR A 6 -0.586 9.107 24.672 1.00 0.00 C ATOM 102 O THR A 6 -1.768 8.870 24.826 1.00 0.00 O ATOM 103 CB THR A 6 0.109 9.803 26.989 1.00 0.00 C ATOM 104 OG1 THR A 6 0.344 10.964 27.772 1.00 0.00 O ATOM 105 CG2 THR A 6 1.200 8.768 27.266 1.00 0.00 C ATOM 0 H THR A 6 -1.016 11.794 26.309 1.00 0.00 H new ATOM 0 HA THR A 6 1.139 10.259 25.117 1.00 0.00 H new ATOM 0 HB THR A 6 -0.862 9.382 27.248 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.333 10.725 28.722 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.189 8.502 28.323 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.017 7.877 26.665 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.173 9.187 27.007 1.00 0.00 H new ATOM 113 N VAL A 7 0.125 8.460 23.791 1.00 0.00 N ATOM 114 CA VAL A 7 -0.512 7.407 22.949 1.00 0.00 C ATOM 115 C VAL A 7 0.125 6.043 23.233 1.00 0.00 C ATOM 116 O VAL A 7 -0.438 5.217 23.923 1.00 0.00 O ATOM 117 CB VAL A 7 -0.245 7.840 21.505 1.00 0.00 C ATOM 118 CG1 VAL A 7 -0.751 6.761 20.544 1.00 0.00 C ATOM 119 CG2 VAL A 7 -0.977 9.155 21.226 1.00 0.00 C ATOM 0 H VAL A 7 1.118 8.614 23.617 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.578 7.304 23.151 1.00 0.00 H new ATOM 0 HB VAL A 7 0.826 7.980 21.360 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.560 7.071 19.516 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.231 5.824 20.743 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.822 6.619 20.687 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.788 9.465 20.198 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.048 9.013 21.372 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.617 9.924 21.909 1.00 0.00 H new ATOM 129 N ASN A 8 1.296 5.801 22.708 1.00 0.00 N ATOM 130 CA ASN A 8 1.968 4.489 22.948 1.00 0.00 C ATOM 131 C ASN A 8 1.019 3.334 22.622 1.00 0.00 C ATOM 132 O ASN A 8 1.034 2.304 23.267 1.00 0.00 O ATOM 133 CB ASN A 8 2.320 4.491 24.437 1.00 0.00 C ATOM 134 CG ASN A 8 3.354 3.398 24.716 1.00 0.00 C ATOM 135 OD1 ASN A 8 4.042 2.953 23.819 1.00 0.00 O ATOM 136 ND2 ASN A 8 3.493 2.943 25.931 1.00 0.00 N ATOM 0 H ASN A 8 1.817 6.454 22.123 1.00 0.00 H new ATOM 0 HA ASN A 8 2.849 4.358 22.320 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.716 5.464 24.727 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.424 4.321 25.034 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.179 2.214 26.127 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.916 3.316 26.685 1.00 0.00 H new ATOM 143 N GLY A 9 0.193 3.495 21.624 1.00 0.00 N ATOM 144 CA GLY A 9 -0.754 2.404 21.258 1.00 0.00 C ATOM 145 C GLY A 9 -2.146 2.989 21.014 1.00 0.00 C ATOM 146 O GLY A 9 -2.425 4.120 21.359 1.00 0.00 O ATOM 0 H GLY A 9 0.133 4.334 21.047 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.403 1.890 20.363 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.795 1.663 22.056 1.00 0.00 H new ATOM 150 N ALA A 10 -3.022 2.223 20.423 1.00 0.00 N ATOM 151 CA ALA A 10 -4.399 2.731 20.156 1.00 0.00 C ATOM 152 C ALA A 10 -4.339 4.061 19.399 1.00 0.00 C ATOM 153 O ALA A 10 -5.077 4.982 19.685 1.00 0.00 O ATOM 154 CB ALA A 10 -5.024 2.929 21.538 1.00 0.00 C ATOM 0 H ALA A 10 -2.844 1.268 20.113 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.978 2.043 19.540 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.042 3.303 21.427 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.043 1.977 22.069 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.433 3.649 22.105 1.00 0.00 H new ATOM 160 N GLY A 11 -3.467 4.167 18.435 1.00 0.00 N ATOM 161 CA GLY A 11 -3.364 5.438 17.662 1.00 0.00 C ATOM 162 C GLY A 11 -1.992 5.520 16.989 1.00 0.00 C ATOM 163 O GLY A 11 -1.043 4.892 17.416 1.00 0.00 O ATOM 0 H GLY A 11 -2.822 3.430 18.149 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.152 5.483 16.910 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.507 6.291 18.325 1.00 0.00 H new ATOM 167 N LYS A 12 -1.881 6.292 15.940 1.00 0.00 N ATOM 168 CA LYS A 12 -0.571 6.421 15.234 1.00 0.00 C ATOM 169 C LYS A 12 -0.076 5.048 14.772 1.00 0.00 C ATOM 170 O LYS A 12 -0.560 4.023 15.209 1.00 0.00 O ATOM 171 CB LYS A 12 0.389 7.015 16.269 1.00 0.00 C ATOM 172 CG LYS A 12 0.897 8.371 15.777 1.00 0.00 C ATOM 173 CD LYS A 12 2.169 8.747 16.539 1.00 0.00 C ATOM 174 CE LYS A 12 3.262 9.148 15.546 1.00 0.00 C ATOM 175 NZ LYS A 12 3.822 10.419 16.084 1.00 0.00 N ATOM 0 H LYS A 12 -2.643 6.840 15.540 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.648 7.046 14.345 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.119 7.131 17.227 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.228 6.338 16.433 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.101 8.328 14.707 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.132 9.133 15.926 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.965 9.571 17.223 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.505 7.905 17.145 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.030 8.378 15.472 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.854 9.289 14.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.579 10.758 15.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.070 11.135 16.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.209 10.253 17.035 1.00 0.00 H new ATOM 189 N ALA A 13 0.886 5.021 13.890 1.00 0.00 N ATOM 190 CA ALA A 13 1.412 3.714 13.400 1.00 0.00 C ATOM 191 C ALA A 13 2.609 3.278 14.249 1.00 0.00 C ATOM 192 O ALA A 13 2.754 3.679 15.387 1.00 0.00 O ATOM 193 CB ALA A 13 1.842 3.974 11.956 1.00 0.00 C ATOM 0 H ALA A 13 1.330 5.846 13.488 1.00 0.00 H new ATOM 0 HA ALA A 13 0.670 2.918 13.464 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.242 3.056 11.525 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.982 4.304 11.374 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.610 4.747 11.939 1.00 0.00 H new ATOM 199 N GLY A 14 3.469 2.457 13.709 1.00 0.00 N ATOM 200 CA GLY A 14 4.653 1.999 14.491 1.00 0.00 C ATOM 201 C GLY A 14 5.865 1.878 13.566 1.00 0.00 C ATOM 202 O GLY A 14 5.941 2.520 12.538 1.00 0.00 O ATOM 0 H GLY A 14 3.403 2.084 12.762 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.865 2.704 15.295 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.442 1.037 14.958 1.00 0.00 H new ATOM 206 N GLU A 15 6.815 1.059 13.926 1.00 0.00 N ATOM 207 CA GLU A 15 8.024 0.896 13.067 1.00 0.00 C ATOM 208 C GLU A 15 7.671 0.116 11.799 1.00 0.00 C ATOM 209 O GLU A 15 7.096 -0.953 11.855 1.00 0.00 O ATOM 210 CB GLU A 15 9.015 0.107 13.925 1.00 0.00 C ATOM 211 CG GLU A 15 9.737 1.061 14.879 1.00 0.00 C ATOM 212 CD GLU A 15 10.503 0.254 15.928 1.00 0.00 C ATOM 213 OE1 GLU A 15 11.335 -0.549 15.539 1.00 0.00 O ATOM 214 OE2 GLU A 15 10.247 0.454 17.105 1.00 0.00 O ATOM 0 H GLU A 15 6.807 0.496 14.776 1.00 0.00 H new ATOM 0 HA GLU A 15 8.435 1.853 12.746 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.490 -0.662 14.491 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.738 -0.403 13.288 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.424 1.698 14.322 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.017 1.719 15.366 1.00 0.00 H new ATOM 221 N GLY A 16 8.010 0.643 10.653 1.00 0.00 N ATOM 222 CA GLY A 16 7.692 -0.069 9.383 1.00 0.00 C ATOM 223 C GLY A 16 6.416 0.512 8.774 1.00 0.00 C ATOM 224 O GLY A 16 6.406 0.972 7.649 1.00 0.00 O ATOM 0 H GLY A 16 8.493 1.535 10.542 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.520 0.031 8.681 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.563 -1.134 9.574 1.00 0.00 H new ATOM 228 N GLU A 17 5.336 0.497 9.507 1.00 0.00 N ATOM 229 CA GLU A 17 4.060 1.049 8.968 1.00 0.00 C ATOM 230 C GLU A 17 4.188 2.559 8.749 1.00 0.00 C ATOM 231 O GLU A 17 5.066 3.202 9.288 1.00 0.00 O ATOM 232 CB GLU A 17 3.013 0.752 10.042 1.00 0.00 C ATOM 233 CG GLU A 17 2.968 -0.753 10.311 1.00 0.00 C ATOM 234 CD GLU A 17 3.092 -1.005 11.815 1.00 0.00 C ATOM 235 OE1 GLU A 17 2.325 -0.418 12.560 1.00 0.00 O ATOM 236 OE2 GLU A 17 3.952 -1.782 12.196 1.00 0.00 O ATOM 0 H GLU A 17 5.282 0.126 10.456 1.00 0.00 H new ATOM 0 HA GLU A 17 3.794 0.609 8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.256 1.289 10.959 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.034 1.103 9.717 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.034 -1.173 9.937 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.778 -1.253 9.779 1.00 0.00 H new ATOM 243 N ILE A 18 3.314 3.128 7.965 1.00 0.00 N ATOM 244 CA ILE A 18 3.380 4.596 7.715 1.00 0.00 C ATOM 245 C ILE A 18 1.982 5.215 7.863 1.00 0.00 C ATOM 246 O ILE A 18 1.015 4.666 7.374 1.00 0.00 O ATOM 247 CB ILE A 18 3.886 4.730 6.278 1.00 0.00 C ATOM 248 CG1 ILE A 18 2.957 3.955 5.337 1.00 0.00 C ATOM 249 CG2 ILE A 18 5.304 4.160 6.185 1.00 0.00 C ATOM 250 CD1 ILE A 18 3.498 4.021 3.907 1.00 0.00 C ATOM 0 H ILE A 18 2.557 2.640 7.487 1.00 0.00 H new ATOM 0 HA ILE A 18 4.031 5.112 8.420 1.00 0.00 H new ATOM 0 HB ILE A 18 3.898 5.781 5.990 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.881 2.917 5.660 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.952 4.375 5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.668 4.254 5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.963 4.711 6.856 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.293 3.108 6.471 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.835 3.469 3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.551 5.061 3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.494 3.580 3.874 1.00 0.00 H new ATOM 262 N PRO A 19 1.915 6.336 8.541 1.00 0.00 N ATOM 263 CA PRO A 19 0.609 7.012 8.752 1.00 0.00 C ATOM 264 C PRO A 19 0.116 7.653 7.453 1.00 0.00 C ATOM 265 O PRO A 19 0.889 7.968 6.570 1.00 0.00 O ATOM 266 CB PRO A 19 0.924 8.083 9.793 1.00 0.00 C ATOM 267 CG PRO A 19 2.385 8.353 9.639 1.00 0.00 C ATOM 268 CD PRO A 19 3.022 7.072 9.167 1.00 0.00 C ATOM 0 HA PRO A 19 -0.177 6.327 9.070 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.336 8.985 9.622 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.691 7.736 10.800 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.555 9.156 8.921 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.820 8.674 10.586 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.826 7.264 8.457 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.456 6.512 9.996 1.00 0.00 H new ATOM 276 N ALA A 20 -1.168 7.852 7.332 1.00 0.00 N ATOM 277 CA ALA A 20 -1.713 8.477 6.094 1.00 0.00 C ATOM 278 C ALA A 20 -1.611 10.007 6.195 1.00 0.00 C ATOM 279 O ALA A 20 -1.998 10.580 7.194 1.00 0.00 O ATOM 280 CB ALA A 20 -3.176 8.038 6.042 1.00 0.00 C ATOM 0 H ALA A 20 -1.863 7.609 8.037 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.168 8.177 5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.651 8.458 5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.228 6.950 6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.694 8.392 6.933 1.00 0.00 H new ATOM 286 N PRO A 21 -1.089 10.624 5.162 1.00 0.00 N ATOM 287 CA PRO A 21 -0.941 12.099 5.164 1.00 0.00 C ATOM 288 C PRO A 21 -2.297 12.778 4.941 1.00 0.00 C ATOM 289 O PRO A 21 -2.478 13.938 5.253 1.00 0.00 O ATOM 290 CB PRO A 21 -0.001 12.368 3.992 1.00 0.00 C ATOM 291 CG PRO A 21 -0.177 11.201 3.072 1.00 0.00 C ATOM 292 CD PRO A 21 -0.595 10.022 3.915 1.00 0.00 C ATOM 0 HA PRO A 21 -0.560 12.487 6.109 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.252 13.304 3.493 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.033 12.453 4.328 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.931 11.419 2.316 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.752 10.985 2.544 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.370 9.435 3.422 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.243 9.350 4.102 1.00 0.00 H new ATOM 300 N LEU A 22 -3.249 12.065 4.403 1.00 0.00 N ATOM 301 CA LEU A 22 -4.588 12.676 4.160 1.00 0.00 C ATOM 302 C LEU A 22 -5.692 11.778 4.727 1.00 0.00 C ATOM 303 O LEU A 22 -5.566 10.571 4.762 1.00 0.00 O ATOM 304 CB LEU A 22 -4.707 12.777 2.638 1.00 0.00 C ATOM 305 CG LEU A 22 -5.217 14.168 2.251 1.00 0.00 C ATOM 306 CD1 LEU A 22 -6.608 14.386 2.850 1.00 0.00 C ATOM 307 CD2 LEU A 22 -4.257 15.233 2.787 1.00 0.00 C ATOM 0 H LEU A 22 -3.159 11.089 4.122 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.692 13.648 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.738 12.593 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.389 12.013 2.265 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.273 14.245 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.972 15.376 2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.292 13.629 2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.553 14.309 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.621 16.223 2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.199 15.157 3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.266 15.078 2.359 1.00 0.00 H new ATOM 319 N ALA A 23 -6.773 12.361 5.168 1.00 0.00 N ATOM 320 CA ALA A 23 -7.883 11.540 5.732 1.00 0.00 C ATOM 321 C ALA A 23 -8.803 11.052 4.608 1.00 0.00 C ATOM 322 O ALA A 23 -8.741 11.530 3.492 1.00 0.00 O ATOM 323 CB ALA A 23 -8.636 12.481 6.673 1.00 0.00 C ATOM 0 H ALA A 23 -6.936 13.368 5.163 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.518 10.654 6.251 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.471 11.948 7.129 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.961 12.833 7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.014 13.334 6.109 1.00 0.00 H new ATOM 329 N GLY A 24 -9.653 10.104 4.892 1.00 0.00 N ATOM 330 CA GLY A 24 -10.574 9.586 3.839 1.00 0.00 C ATOM 331 C GLY A 24 -11.210 8.278 4.315 1.00 0.00 C ATOM 332 O GLY A 24 -10.948 7.810 5.404 1.00 0.00 O ATOM 0 H GLY A 24 -9.750 9.665 5.808 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.349 10.322 3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.026 9.420 2.911 1.00 0.00 H new ATOM 336 N THR A 25 -12.047 7.686 3.506 1.00 0.00 N ATOM 337 CA THR A 25 -12.700 6.408 3.916 1.00 0.00 C ATOM 338 C THR A 25 -12.220 5.256 3.029 1.00 0.00 C ATOM 339 O THR A 25 -12.278 5.328 1.817 1.00 0.00 O ATOM 340 CB THR A 25 -14.197 6.648 3.715 1.00 0.00 C ATOM 341 OG1 THR A 25 -14.560 7.890 4.302 1.00 0.00 O ATOM 342 CG2 THR A 25 -14.990 5.518 4.377 1.00 0.00 C ATOM 0 H THR A 25 -12.307 8.030 2.582 1.00 0.00 H new ATOM 0 HA THR A 25 -12.462 6.136 4.944 1.00 0.00 H new ATOM 0 HB THR A 25 -14.421 6.671 2.649 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.519 8.045 4.172 1.00 0.00 H new ATOM 0 HG21 THR A 25 -16.057 5.690 4.233 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.712 4.566 3.926 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.767 5.493 5.444 1.00 0.00 H new ATOM 350 N VAL A 26 -11.751 4.193 3.622 1.00 0.00 N ATOM 351 CA VAL A 26 -11.273 3.037 2.810 1.00 0.00 C ATOM 352 C VAL A 26 -12.470 2.252 2.266 1.00 0.00 C ATOM 353 O VAL A 26 -13.454 2.051 2.949 1.00 0.00 O ATOM 354 CB VAL A 26 -10.464 2.176 3.780 1.00 0.00 C ATOM 355 CG1 VAL A 26 -9.833 1.005 3.022 1.00 0.00 C ATOM 356 CG2 VAL A 26 -9.361 3.024 4.415 1.00 0.00 C ATOM 0 H VAL A 26 -11.678 4.074 4.632 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.677 3.350 1.953 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.123 1.791 4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.256 0.392 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.618 0.400 2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.175 1.389 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.784 2.411 5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.703 3.409 3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.809 3.858 4.956 1.00 0.00 H new ATOM 366 N SER A 27 -12.397 1.810 1.041 1.00 0.00 N ATOM 367 CA SER A 27 -13.537 1.044 0.461 1.00 0.00 C ATOM 368 C SER A 27 -13.025 -0.194 -0.282 1.00 0.00 C ATOM 369 O SER A 27 -13.616 -1.253 -0.221 1.00 0.00 O ATOM 370 CB SER A 27 -14.210 2.011 -0.511 1.00 0.00 C ATOM 371 OG SER A 27 -14.846 3.049 0.224 1.00 0.00 O ATOM 0 H SER A 27 -11.601 1.945 0.418 1.00 0.00 H new ATOM 0 HA SER A 27 -14.226 0.689 1.228 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.471 2.432 -1.193 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.941 1.481 -1.121 1.00 0.00 H new ATOM 0 HG SER A 27 -15.770 3.151 -0.087 1.00 0.00 H new ATOM 377 N LYS A 28 -11.933 -0.069 -0.986 1.00 0.00 N ATOM 378 CA LYS A 28 -11.393 -1.242 -1.732 1.00 0.00 C ATOM 379 C LYS A 28 -9.871 -1.320 -1.587 1.00 0.00 C ATOM 380 O LYS A 28 -9.194 -0.318 -1.471 1.00 0.00 O ATOM 381 CB LYS A 28 -11.780 -0.991 -3.190 1.00 0.00 C ATOM 382 CG LYS A 28 -12.876 -1.974 -3.603 1.00 0.00 C ATOM 383 CD LYS A 28 -12.839 -2.176 -5.118 1.00 0.00 C ATOM 384 CE LYS A 28 -13.813 -1.202 -5.786 1.00 0.00 C ATOM 385 NZ LYS A 28 -14.835 -2.067 -6.438 1.00 0.00 N ATOM 0 H LYS A 28 -11.393 0.791 -1.077 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.790 -2.185 -1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.131 0.034 -3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.909 -1.109 -3.834 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.733 -2.928 -3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.852 -1.595 -3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.829 -2.012 -5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.108 -3.203 -5.365 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.269 -0.535 -5.054 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.304 -0.573 -6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.539 -1.471 -6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.373 -2.686 -7.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.308 -2.649 -5.717 1.00 0.00 H new ATOM 399 N ILE A 29 -9.329 -2.508 -1.599 1.00 0.00 N ATOM 400 CA ILE A 29 -7.853 -2.659 -1.469 1.00 0.00 C ATOM 401 C ILE A 29 -7.292 -3.370 -2.704 1.00 0.00 C ATOM 402 O ILE A 29 -7.969 -4.155 -3.338 1.00 0.00 O ATOM 403 CB ILE A 29 -7.649 -3.514 -0.217 1.00 0.00 C ATOM 404 CG1 ILE A 29 -6.153 -3.758 -0.004 1.00 0.00 C ATOM 405 CG2 ILE A 29 -8.361 -4.856 -0.394 1.00 0.00 C ATOM 406 CD1 ILE A 29 -5.770 -3.370 1.426 1.00 0.00 C ATOM 0 H ILE A 29 -9.847 -3.382 -1.693 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.342 -1.700 -1.391 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.061 -2.994 0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.916 -4.807 -0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.573 -3.173 -0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.216 -5.465 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.427 -4.685 -0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.949 -5.375 -1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.705 -3.544 1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.992 -2.315 1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.340 -3.974 2.132 1.00 0.00 H new ATOM 418 N LEU A 30 -6.065 -3.101 -3.056 1.00 0.00 N ATOM 419 CA LEU A 30 -5.474 -3.762 -4.254 1.00 0.00 C ATOM 420 C LEU A 30 -4.118 -4.381 -3.910 1.00 0.00 C ATOM 421 O LEU A 30 -3.856 -5.529 -4.210 1.00 0.00 O ATOM 422 CB LEU A 30 -5.307 -2.641 -5.281 1.00 0.00 C ATOM 423 CG LEU A 30 -6.647 -2.375 -5.968 1.00 0.00 C ATOM 424 CD1 LEU A 30 -7.332 -1.180 -5.303 1.00 0.00 C ATOM 425 CD2 LEU A 30 -6.411 -2.072 -7.449 1.00 0.00 C ATOM 0 H LEU A 30 -5.447 -2.453 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.102 -4.571 -4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.951 -1.735 -4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.556 -2.920 -6.020 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.284 -3.255 -5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.287 -0.990 -5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.501 -1.398 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.696 -0.299 -5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.366 -1.882 -7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.774 -1.192 -7.543 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.924 -2.925 -7.922 1.00 0.00 H new ATOM 437 N VAL A 31 -3.252 -3.632 -3.284 1.00 0.00 N ATOM 438 CA VAL A 31 -1.912 -4.180 -2.924 1.00 0.00 C ATOM 439 C VAL A 31 -2.065 -5.511 -2.181 1.00 0.00 C ATOM 440 O VAL A 31 -2.981 -5.698 -1.405 1.00 0.00 O ATOM 441 CB VAL A 31 -1.284 -3.126 -2.013 1.00 0.00 C ATOM 442 CG1 VAL A 31 -2.159 -2.940 -0.771 1.00 0.00 C ATOM 443 CG2 VAL A 31 0.113 -3.584 -1.591 1.00 0.00 C ATOM 0 H VAL A 31 -3.414 -2.664 -3.006 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.298 -4.377 -3.803 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.208 -2.180 -2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.712 -2.188 -0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.154 -2.613 -1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.235 -3.886 -0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.561 -2.833 -0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.039 -4.530 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.735 -3.716 -2.476 1.00 0.00 H new ATOM 453 N LYS A 32 -1.173 -6.435 -2.413 1.00 0.00 N ATOM 454 CA LYS A 32 -1.268 -7.752 -1.720 1.00 0.00 C ATOM 455 C LYS A 32 -0.234 -7.827 -0.594 1.00 0.00 C ATOM 456 O LYS A 32 0.756 -7.123 -0.600 1.00 0.00 O ATOM 457 CB LYS A 32 -0.963 -8.790 -2.799 1.00 0.00 C ATOM 458 CG LYS A 32 -1.964 -8.644 -3.948 1.00 0.00 C ATOM 459 CD LYS A 32 -1.662 -9.688 -5.025 1.00 0.00 C ATOM 460 CE LYS A 32 -2.409 -10.984 -4.705 1.00 0.00 C ATOM 461 NZ LYS A 32 -2.877 -11.493 -6.024 1.00 0.00 N ATOM 0 H LYS A 32 -0.384 -6.336 -3.051 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.246 -7.913 -1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.053 -8.657 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.020 -9.794 -2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.981 -8.773 -3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.904 -7.641 -4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.964 -9.314 -6.003 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.589 -9.877 -5.073 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.756 -11.705 -4.213 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.247 -10.801 -4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.399 -12.382 -5.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.502 -10.789 -6.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.057 -11.664 -6.641 1.00 0.00 H new ATOM 475 N GLU A 33 -0.454 -8.677 0.371 1.00 0.00 N ATOM 476 CA GLU A 33 0.522 -8.792 1.494 1.00 0.00 C ATOM 477 C GLU A 33 1.671 -9.726 1.101 1.00 0.00 C ATOM 478 O GLU A 33 1.490 -10.677 0.366 1.00 0.00 O ATOM 479 CB GLU A 33 -0.274 -9.380 2.662 1.00 0.00 C ATOM 480 CG GLU A 33 -0.901 -10.714 2.245 1.00 0.00 C ATOM 481 CD GLU A 33 -1.123 -11.591 3.482 1.00 0.00 C ATOM 482 OE1 GLU A 33 -0.674 -11.206 4.550 1.00 0.00 O ATOM 483 OE2 GLU A 33 -1.738 -12.634 3.338 1.00 0.00 O ATOM 0 H GLU A 33 -1.263 -9.295 0.432 1.00 0.00 H new ATOM 0 HA GLU A 33 0.967 -7.831 1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.380 -9.528 3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.053 -8.683 2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.849 -10.538 1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.251 -11.227 1.536 1.00 0.00 H new ATOM 490 N GLY A 34 2.853 -9.457 1.582 1.00 0.00 N ATOM 491 CA GLY A 34 4.012 -10.326 1.235 1.00 0.00 C ATOM 492 C GLY A 34 4.304 -10.232 -0.266 1.00 0.00 C ATOM 493 O GLY A 34 5.034 -11.035 -0.815 1.00 0.00 O ATOM 0 H GLY A 34 3.066 -8.674 2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.890 -10.021 1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.798 -11.359 1.509 1.00 0.00 H new ATOM 497 N ASP A 35 3.747 -9.260 -0.938 1.00 0.00 N ATOM 498 CA ASP A 35 4.004 -9.125 -2.400 1.00 0.00 C ATOM 499 C ASP A 35 4.864 -7.891 -2.669 1.00 0.00 C ATOM 500 O ASP A 35 5.151 -7.116 -1.777 1.00 0.00 O ATOM 501 CB ASP A 35 2.621 -8.967 -3.034 1.00 0.00 C ATOM 502 CG ASP A 35 2.407 -10.071 -4.071 1.00 0.00 C ATOM 503 OD1 ASP A 35 2.606 -11.225 -3.728 1.00 0.00 O ATOM 504 OD2 ASP A 35 2.047 -9.744 -5.190 1.00 0.00 O ATOM 0 H ASP A 35 3.127 -8.556 -0.538 1.00 0.00 H new ATOM 0 HA ASP A 35 4.541 -9.982 -2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.849 -9.020 -2.266 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.535 -7.988 -3.506 1.00 0.00 H new ATOM 509 N THR A 36 5.278 -7.699 -3.889 1.00 0.00 N ATOM 510 CA THR A 36 6.120 -6.511 -4.209 1.00 0.00 C ATOM 511 C THR A 36 5.298 -5.477 -4.982 1.00 0.00 C ATOM 512 O THR A 36 4.940 -5.684 -6.125 1.00 0.00 O ATOM 513 CB THR A 36 7.259 -7.054 -5.074 1.00 0.00 C ATOM 514 OG1 THR A 36 7.769 -8.245 -4.488 1.00 0.00 O ATOM 515 CG2 THR A 36 8.375 -6.012 -5.167 1.00 0.00 C ATOM 0 H THR A 36 5.071 -8.311 -4.678 1.00 0.00 H new ATOM 0 HA THR A 36 6.494 -6.013 -3.314 1.00 0.00 H new ATOM 0 HB THR A 36 6.884 -7.271 -6.074 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.498 -8.596 -5.041 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.185 -6.401 -5.784 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.984 -5.099 -5.616 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.752 -5.793 -4.168 1.00 0.00 H new ATOM 523 N VAL A 37 4.996 -4.366 -4.367 1.00 0.00 N ATOM 524 CA VAL A 37 4.198 -3.320 -5.069 1.00 0.00 C ATOM 525 C VAL A 37 5.125 -2.389 -5.855 1.00 0.00 C ATOM 526 O VAL A 37 6.227 -2.097 -5.437 1.00 0.00 O ATOM 527 CB VAL A 37 3.481 -2.554 -3.955 1.00 0.00 C ATOM 528 CG1 VAL A 37 4.512 -1.859 -3.061 1.00 0.00 C ATOM 529 CG2 VAL A 37 2.553 -1.507 -4.573 1.00 0.00 C ATOM 0 H VAL A 37 5.267 -4.137 -3.411 1.00 0.00 H new ATOM 0 HA VAL A 37 3.495 -3.746 -5.785 1.00 0.00 H new ATOM 0 HB VAL A 37 2.896 -3.251 -3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.998 -1.314 -2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.172 -2.605 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.100 -1.162 -3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.042 -0.961 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.139 -0.811 -5.174 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.816 -2.002 -5.206 1.00 0.00 H new ATOM 539 N LYS A 38 4.686 -1.921 -6.990 1.00 0.00 N ATOM 540 CA LYS A 38 5.545 -1.010 -7.799 1.00 0.00 C ATOM 541 C LYS A 38 5.106 0.443 -7.603 1.00 0.00 C ATOM 542 O LYS A 38 3.960 0.723 -7.312 1.00 0.00 O ATOM 543 CB LYS A 38 5.333 -1.446 -9.249 1.00 0.00 C ATOM 544 CG LYS A 38 6.682 -1.510 -9.967 1.00 0.00 C ATOM 545 CD LYS A 38 6.574 -2.439 -11.178 1.00 0.00 C ATOM 546 CE LYS A 38 7.678 -2.102 -12.184 1.00 0.00 C ATOM 547 NZ LYS A 38 8.874 -2.849 -11.706 1.00 0.00 N ATOM 0 H LYS A 38 3.772 -2.129 -7.392 1.00 0.00 H new ATOM 0 HA LYS A 38 6.594 -1.066 -7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.847 -2.421 -9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.672 -0.744 -9.758 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.983 -0.512 -10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.452 -1.872 -9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.662 -3.478 -10.861 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.596 -2.330 -11.646 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.399 -2.406 -13.193 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.869 -1.029 -12.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.674 -2.669 -12.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.120 -2.533 -10.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.665 -3.868 -11.692 1.00 0.00 H new ATOM 561 N ALA A 39 6.010 1.371 -7.760 1.00 0.00 N ATOM 562 CA ALA A 39 5.645 2.806 -7.582 1.00 0.00 C ATOM 563 C ALA A 39 4.637 3.233 -8.653 1.00 0.00 C ATOM 564 O ALA A 39 4.829 2.996 -9.829 1.00 0.00 O ATOM 565 CB ALA A 39 6.958 3.571 -7.748 1.00 0.00 C ATOM 0 H ALA A 39 6.985 1.198 -8.004 1.00 0.00 H new ATOM 0 HA ALA A 39 5.180 2.997 -6.615 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.774 4.639 -7.631 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.670 3.240 -6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.367 3.380 -8.740 1.00 0.00 H new ATOM 571 N GLY A 40 3.565 3.864 -8.256 1.00 0.00 N ATOM 572 CA GLY A 40 2.551 4.307 -9.253 1.00 0.00 C ATOM 573 C GLY A 40 1.461 3.241 -9.393 1.00 0.00 C ATOM 574 O GLY A 40 0.761 3.187 -10.384 1.00 0.00 O ATOM 0 H GLY A 40 3.349 4.091 -7.285 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.109 5.253 -8.940 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.028 4.481 -10.217 1.00 0.00 H new ATOM 578 N GLN A 41 1.309 2.393 -8.412 1.00 0.00 N ATOM 579 CA GLN A 41 0.260 1.336 -8.499 1.00 0.00 C ATOM 580 C GLN A 41 -0.787 1.535 -7.399 1.00 0.00 C ATOM 581 O GLN A 41 -0.475 1.545 -6.224 1.00 0.00 O ATOM 582 CB GLN A 41 1.005 0.016 -8.298 1.00 0.00 C ATOM 583 CG GLN A 41 0.400 -1.055 -9.209 1.00 0.00 C ATOM 584 CD GLN A 41 0.957 -2.428 -8.827 1.00 0.00 C ATOM 585 OE1 GLN A 41 1.921 -2.888 -9.406 1.00 0.00 O ATOM 586 NE2 GLN A 41 0.387 -3.106 -7.869 1.00 0.00 N ATOM 0 H GLN A 41 1.864 2.386 -7.556 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.271 1.362 -9.450 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.063 0.145 -8.524 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.937 -0.297 -7.256 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.686 -1.054 -9.117 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.632 -0.834 -10.251 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.422 -2.720 -7.383 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.751 -4.022 -7.606 1.00 0.00 H new ATOM 595 N THR A 42 -2.027 1.695 -7.773 1.00 0.00 N ATOM 596 CA THR A 42 -3.096 1.894 -6.752 1.00 0.00 C ATOM 597 C THR A 42 -3.059 0.769 -5.716 1.00 0.00 C ATOM 598 O THR A 42 -3.543 -0.320 -5.953 1.00 0.00 O ATOM 599 CB THR A 42 -4.407 1.854 -7.540 1.00 0.00 C ATOM 600 OG1 THR A 42 -4.440 2.939 -8.457 1.00 0.00 O ATOM 601 CG2 THR A 42 -5.587 1.962 -6.573 1.00 0.00 C ATOM 0 H THR A 42 -2.347 1.697 -8.742 1.00 0.00 H new ATOM 0 HA THR A 42 -2.975 2.830 -6.206 1.00 0.00 H new ATOM 0 HB THR A 42 -4.475 0.914 -8.088 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.047 3.733 -8.039 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.521 1.934 -7.134 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.560 1.128 -5.871 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.522 2.901 -6.024 1.00 0.00 H new ATOM 609 N VAL A 43 -2.495 1.025 -4.569 1.00 0.00 N ATOM 610 CA VAL A 43 -2.439 -0.031 -3.518 1.00 0.00 C ATOM 611 C VAL A 43 -3.727 -0.014 -2.690 1.00 0.00 C ATOM 612 O VAL A 43 -4.086 -0.990 -2.062 1.00 0.00 O ATOM 613 CB VAL A 43 -1.230 0.327 -2.648 1.00 0.00 C ATOM 614 CG1 VAL A 43 0.042 0.262 -3.495 1.00 0.00 C ATOM 615 CG2 VAL A 43 -1.396 1.741 -2.085 1.00 0.00 C ATOM 0 H VAL A 43 -2.071 1.917 -4.313 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.345 -1.031 -3.942 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.158 -0.382 -1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.904 0.516 -2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.164 -0.746 -3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.034 0.969 -4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.533 1.990 -1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.472 2.453 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.301 1.788 -1.480 1.00 0.00 H new ATOM 625 N LEU A 44 -4.426 1.088 -2.690 1.00 0.00 N ATOM 626 CA LEU A 44 -5.694 1.169 -1.906 1.00 0.00 C ATOM 627 C LEU A 44 -6.669 2.135 -2.583 1.00 0.00 C ATOM 628 O LEU A 44 -6.321 2.830 -3.516 1.00 0.00 O ATOM 629 CB LEU A 44 -5.279 1.700 -0.532 1.00 0.00 C ATOM 630 CG LEU A 44 -5.213 0.540 0.463 1.00 0.00 C ATOM 631 CD1 LEU A 44 -3.961 0.686 1.331 1.00 0.00 C ATOM 632 CD2 LEU A 44 -6.456 0.560 1.355 1.00 0.00 C ATOM 0 H LEU A 44 -4.175 1.936 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.198 0.205 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.309 2.192 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.993 2.448 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.172 -0.404 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.912 -0.140 2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.075 0.672 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.003 1.630 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.409 -0.267 2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.498 1.503 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.349 0.458 0.738 1.00 0.00 H new ATOM 644 N VAL A 45 -7.888 2.186 -2.120 1.00 0.00 N ATOM 645 CA VAL A 45 -8.880 3.108 -2.742 1.00 0.00 C ATOM 646 C VAL A 45 -9.692 3.822 -1.659 1.00 0.00 C ATOM 647 O VAL A 45 -10.065 3.238 -0.660 1.00 0.00 O ATOM 648 CB VAL A 45 -9.782 2.211 -3.589 1.00 0.00 C ATOM 649 CG1 VAL A 45 -10.872 3.059 -4.246 1.00 0.00 C ATOM 650 CG2 VAL A 45 -8.946 1.526 -4.672 1.00 0.00 C ATOM 0 H VAL A 45 -8.239 1.631 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.402 3.883 -3.341 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.244 1.455 -2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.516 2.420 -4.850 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.467 3.548 -3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.411 3.815 -4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.588 0.886 -5.277 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.485 2.282 -5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.169 0.922 -4.204 1.00 0.00 H new ATOM 660 N LEU A 46 -9.969 5.083 -1.848 1.00 0.00 N ATOM 661 CA LEU A 46 -10.755 5.836 -0.830 1.00 0.00 C ATOM 662 C LEU A 46 -12.140 6.184 -1.383 1.00 0.00 C ATOM 663 O LEU A 46 -12.415 6.011 -2.554 1.00 0.00 O ATOM 664 CB LEU A 46 -9.950 7.110 -0.572 1.00 0.00 C ATOM 665 CG LEU A 46 -8.898 6.840 0.505 1.00 0.00 C ATOM 666 CD1 LEU A 46 -7.805 7.908 0.430 1.00 0.00 C ATOM 667 CD2 LEU A 46 -9.559 6.882 1.885 1.00 0.00 C ATOM 0 H LEU A 46 -9.685 5.625 -2.664 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.911 5.258 0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.467 7.440 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.614 7.914 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.456 5.857 0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.055 7.716 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.334 7.878 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.246 8.892 0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.810 6.690 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.001 7.865 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.338 6.121 1.939 1.00 0.00 H new ATOM 679 N GLU A 47 -13.014 6.672 -0.546 1.00 0.00 N ATOM 680 CA GLU A 47 -14.382 7.032 -1.020 1.00 0.00 C ATOM 681 C GLU A 47 -14.967 8.145 -0.146 1.00 0.00 C ATOM 682 O GLU A 47 -15.008 8.040 1.063 1.00 0.00 O ATOM 683 CB GLU A 47 -15.202 5.751 -0.875 1.00 0.00 C ATOM 684 CG GLU A 47 -16.508 5.886 -1.660 1.00 0.00 C ATOM 685 CD GLU A 47 -17.687 5.924 -0.687 1.00 0.00 C ATOM 686 OE1 GLU A 47 -18.026 4.879 -0.156 1.00 0.00 O ATOM 687 OE2 GLU A 47 -18.232 6.997 -0.489 1.00 0.00 O ATOM 0 H GLU A 47 -12.841 6.837 0.446 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.380 7.400 -2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.631 4.898 -1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.416 5.561 0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.490 6.794 -2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.619 5.049 -2.349 1.00 0.00 H new ATOM 694 N ALA A 48 -15.419 9.211 -0.748 1.00 0.00 N ATOM 695 CA ALA A 48 -16.000 10.326 0.054 1.00 0.00 C ATOM 696 C ALA A 48 -17.404 10.669 -0.453 1.00 0.00 C ATOM 697 O ALA A 48 -18.072 9.852 -1.055 1.00 0.00 O ATOM 698 CB ALA A 48 -15.048 11.504 -0.157 1.00 0.00 C ATOM 0 H ALA A 48 -15.411 9.358 -1.757 1.00 0.00 H new ATOM 0 HA ALA A 48 -16.100 10.068 1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -15.408 12.367 0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.052 11.234 0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -15.005 11.752 -1.218 1.00 0.00 H new ATOM 704 N MET A 49 -17.859 11.867 -0.211 1.00 0.00 N ATOM 705 CA MET A 49 -19.221 12.257 -0.677 1.00 0.00 C ATOM 706 C MET A 49 -19.144 12.920 -2.055 1.00 0.00 C ATOM 707 O MET A 49 -19.836 13.880 -2.332 1.00 0.00 O ATOM 708 CB MET A 49 -19.730 13.249 0.368 1.00 0.00 C ATOM 709 CG MET A 49 -21.259 13.217 0.402 1.00 0.00 C ATOM 710 SD MET A 49 -21.812 11.775 1.345 1.00 0.00 S ATOM 711 CE MET A 49 -23.590 12.027 1.124 1.00 0.00 C ATOM 0 H MET A 49 -17.347 12.594 0.289 1.00 0.00 H new ATOM 0 HA MET A 49 -19.882 11.396 -0.778 1.00 0.00 H new ATOM 0 HB2 MET A 49 -19.329 12.997 1.350 1.00 0.00 H new ATOM 0 HB3 MET A 49 -19.382 14.254 0.130 1.00 0.00 H new ATOM 0 HG2 MET A 49 -21.642 14.131 0.856 1.00 0.00 H new ATOM 0 HG3 MET A 49 -21.655 13.175 -0.613 1.00 0.00 H new ATOM 0 HE1 MET A 49 -24.136 11.234 1.635 1.00 0.00 H new ATOM 0 HE2 MET A 49 -23.875 12.992 1.542 1.00 0.00 H new ATOM 0 HE3 MET A 49 -23.831 12.007 0.061 1.00 0.00 H new ATOM 721 N LYS A 50 -18.310 12.414 -2.922 1.00 0.00 N ATOM 722 CA LYS A 50 -18.193 13.015 -4.281 1.00 0.00 C ATOM 723 C LYS A 50 -17.732 11.957 -5.286 1.00 0.00 C ATOM 724 O LYS A 50 -18.287 11.825 -6.359 1.00 0.00 O ATOM 725 CB LYS A 50 -17.140 14.117 -4.141 1.00 0.00 C ATOM 726 CG LYS A 50 -17.249 15.081 -5.324 1.00 0.00 C ATOM 727 CD LYS A 50 -16.279 16.248 -5.124 1.00 0.00 C ATOM 728 CE LYS A 50 -14.843 15.759 -5.324 1.00 0.00 C ATOM 729 NZ LYS A 50 -14.242 16.715 -6.295 1.00 0.00 N ATOM 0 H LYS A 50 -17.705 11.611 -2.748 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.144 13.406 -4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -17.285 14.656 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.142 13.679 -4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.020 14.560 -6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.270 15.454 -5.410 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -16.504 17.047 -5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -16.396 16.665 -4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.293 15.754 -4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.823 14.740 -5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.255 16.445 -6.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.782 16.693 -7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.268 17.676 -5.898 1.00 0.00 H new ATOM 743 N MET A 51 -16.722 11.203 -4.947 1.00 0.00 N ATOM 744 CA MET A 51 -16.228 10.154 -5.885 1.00 0.00 C ATOM 745 C MET A 51 -15.212 9.252 -5.181 1.00 0.00 C ATOM 746 O MET A 51 -14.986 9.361 -3.993 1.00 0.00 O ATOM 747 CB MET A 51 -15.561 10.924 -7.024 1.00 0.00 C ATOM 748 CG MET A 51 -16.358 10.718 -8.313 1.00 0.00 C ATOM 749 SD MET A 51 -16.686 12.323 -9.086 1.00 0.00 S ATOM 750 CE MET A 51 -15.329 12.278 -10.282 1.00 0.00 C ATOM 0 H MET A 51 -16.218 11.267 -4.063 1.00 0.00 H new ATOM 0 HA MET A 51 -17.031 9.509 -6.244 1.00 0.00 H new ATOM 0 HB2 MET A 51 -15.511 11.985 -6.780 1.00 0.00 H new ATOM 0 HB3 MET A 51 -14.536 10.580 -7.159 1.00 0.00 H new ATOM 0 HG2 MET A 51 -15.801 10.079 -8.999 1.00 0.00 H new ATOM 0 HG3 MET A 51 -17.297 10.209 -8.095 1.00 0.00 H new ATOM 0 HE1 MET A 51 -15.340 13.190 -10.879 1.00 0.00 H new ATOM 0 HE2 MET A 51 -14.379 12.203 -9.752 1.00 0.00 H new ATOM 0 HE3 MET A 51 -15.449 11.414 -10.936 1.00 0.00 H new ATOM 760 N GLU A 52 -14.598 8.359 -5.909 1.00 0.00 N ATOM 761 CA GLU A 52 -13.596 7.449 -5.284 1.00 0.00 C ATOM 762 C GLU A 52 -12.180 7.856 -5.703 1.00 0.00 C ATOM 763 O GLU A 52 -11.930 8.185 -6.845 1.00 0.00 O ATOM 764 CB GLU A 52 -13.933 6.058 -5.822 1.00 0.00 C ATOM 765 CG GLU A 52 -15.051 5.442 -4.979 1.00 0.00 C ATOM 766 CD GLU A 52 -14.890 3.922 -4.948 1.00 0.00 C ATOM 767 OE1 GLU A 52 -15.435 3.269 -5.823 1.00 0.00 O ATOM 768 OE2 GLU A 52 -14.221 3.435 -4.050 1.00 0.00 O ATOM 0 H GLU A 52 -14.747 8.220 -6.909 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.629 7.484 -4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.244 6.125 -6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.049 5.421 -5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.019 5.842 -3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -16.023 5.707 -5.396 1.00 0.00 H new ATOM 775 N THR A 53 -11.253 7.836 -4.785 1.00 0.00 N ATOM 776 CA THR A 53 -9.854 8.220 -5.131 1.00 0.00 C ATOM 777 C THR A 53 -8.951 6.985 -5.116 1.00 0.00 C ATOM 778 O THR A 53 -9.184 6.043 -4.385 1.00 0.00 O ATOM 779 CB THR A 53 -9.431 9.206 -4.040 1.00 0.00 C ATOM 780 OG1 THR A 53 -10.368 10.272 -3.980 1.00 0.00 O ATOM 781 CG2 THR A 53 -8.043 9.761 -4.361 1.00 0.00 C ATOM 0 H THR A 53 -11.403 7.571 -3.812 1.00 0.00 H new ATOM 0 HA THR A 53 -9.780 8.658 -6.126 1.00 0.00 H new ATOM 0 HB THR A 53 -9.400 8.694 -3.078 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.100 10.904 -3.281 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.743 10.463 -3.583 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.325 8.942 -4.407 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.070 10.274 -5.322 1.00 0.00 H new ATOM 789 N GLU A 54 -7.921 6.980 -5.918 1.00 0.00 N ATOM 790 CA GLU A 54 -7.007 5.803 -5.948 1.00 0.00 C ATOM 791 C GLU A 54 -5.714 6.118 -5.192 1.00 0.00 C ATOM 792 O GLU A 54 -5.107 7.152 -5.385 1.00 0.00 O ATOM 793 CB GLU A 54 -6.717 5.564 -7.430 1.00 0.00 C ATOM 794 CG GLU A 54 -8.000 5.126 -8.137 1.00 0.00 C ATOM 795 CD GLU A 54 -8.510 6.265 -9.021 1.00 0.00 C ATOM 796 OE1 GLU A 54 -8.795 7.324 -8.485 1.00 0.00 O ATOM 797 OE2 GLU A 54 -8.607 6.061 -10.220 1.00 0.00 O ATOM 0 H GLU A 54 -7.673 7.739 -6.553 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.447 4.926 -5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.330 6.475 -7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.948 4.800 -7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.810 4.239 -8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.758 4.854 -7.402 1.00 0.00 H new ATOM 804 N ILE A 55 -5.290 5.234 -4.331 1.00 0.00 N ATOM 805 CA ILE A 55 -4.036 5.481 -3.565 1.00 0.00 C ATOM 806 C ILE A 55 -2.866 4.737 -4.213 1.00 0.00 C ATOM 807 O ILE A 55 -2.549 3.620 -3.852 1.00 0.00 O ATOM 808 CB ILE A 55 -4.317 4.939 -2.163 1.00 0.00 C ATOM 809 CG1 ILE A 55 -5.508 5.689 -1.558 1.00 0.00 C ATOM 810 CG2 ILE A 55 -3.086 5.145 -1.278 1.00 0.00 C ATOM 811 CD1 ILE A 55 -5.898 5.044 -0.228 1.00 0.00 C ATOM 0 H ILE A 55 -5.758 4.351 -4.125 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.763 6.536 -3.543 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.546 3.875 -2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.251 6.737 -1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.353 5.666 -2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.287 4.758 -0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.236 4.615 -1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.856 6.209 -1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.745 5.579 0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.173 4.003 -0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.054 5.090 0.460 1.00 0.00 H new ATOM 823 N ASN A 56 -2.225 5.354 -5.170 1.00 0.00 N ATOM 824 CA ASN A 56 -1.073 4.696 -5.854 1.00 0.00 C ATOM 825 C ASN A 56 0.153 4.689 -4.942 1.00 0.00 C ATOM 826 O ASN A 56 0.541 5.704 -4.397 1.00 0.00 O ATOM 827 CB ASN A 56 -0.811 5.550 -7.095 1.00 0.00 C ATOM 828 CG ASN A 56 -1.996 5.433 -8.056 1.00 0.00 C ATOM 829 OD1 ASN A 56 -3.066 5.009 -7.669 1.00 0.00 O ATOM 830 ND2 ASN A 56 -1.849 5.796 -9.300 1.00 0.00 N ATOM 0 H ASN A 56 -2.451 6.289 -5.509 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.284 3.657 -6.108 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.663 6.591 -6.808 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.104 5.222 -7.588 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.633 5.724 -9.948 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.950 6.152 -9.625 1.00 0.00 H new ATOM 837 N ALA A 57 0.766 3.548 -4.773 1.00 0.00 N ATOM 838 CA ALA A 57 1.973 3.468 -3.896 1.00 0.00 C ATOM 839 C ALA A 57 2.965 4.587 -4.251 1.00 0.00 C ATOM 840 O ALA A 57 3.165 4.884 -5.412 1.00 0.00 O ATOM 841 CB ALA A 57 2.583 2.097 -4.187 1.00 0.00 C ATOM 0 H ALA A 57 0.484 2.667 -5.204 1.00 0.00 H new ATOM 0 HA ALA A 57 1.725 3.589 -2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.478 1.960 -3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.859 1.318 -3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.848 2.033 -5.242 1.00 0.00 H new ATOM 847 N PRO A 58 3.549 5.183 -3.238 1.00 0.00 N ATOM 848 CA PRO A 58 4.517 6.286 -3.466 1.00 0.00 C ATOM 849 C PRO A 58 5.838 5.745 -4.019 1.00 0.00 C ATOM 850 O PRO A 58 6.468 6.361 -4.856 1.00 0.00 O ATOM 851 CB PRO A 58 4.716 6.883 -2.076 1.00 0.00 C ATOM 852 CG PRO A 58 4.387 5.776 -1.126 1.00 0.00 C ATOM 853 CD PRO A 58 3.373 4.894 -1.807 1.00 0.00 C ATOM 0 HA PRO A 58 4.163 7.016 -4.194 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.740 7.229 -1.939 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.065 7.743 -1.920 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.282 5.208 -0.871 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.986 6.175 -0.194 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.550 3.841 -1.588 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.360 5.122 -1.476 1.00 0.00 H new ATOM 861 N THR A 59 6.269 4.603 -3.558 1.00 0.00 N ATOM 862 CA THR A 59 7.555 4.039 -4.061 1.00 0.00 C ATOM 863 C THR A 59 7.477 2.512 -4.142 1.00 0.00 C ATOM 864 O THR A 59 6.787 1.872 -3.374 1.00 0.00 O ATOM 865 CB THR A 59 8.603 4.469 -3.034 1.00 0.00 C ATOM 866 OG1 THR A 59 8.343 5.806 -2.627 1.00 0.00 O ATOM 867 CG2 THR A 59 9.998 4.386 -3.655 1.00 0.00 C ATOM 0 H THR A 59 5.789 4.038 -2.858 1.00 0.00 H new ATOM 0 HA THR A 59 7.794 4.393 -5.064 1.00 0.00 H new ATOM 0 HB THR A 59 8.555 3.808 -2.169 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.013 6.083 -1.967 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.742 4.693 -2.920 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.197 3.361 -3.966 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.050 5.045 -4.522 1.00 0.00 H new ATOM 875 N ASP A 60 8.185 1.926 -5.069 1.00 0.00 N ATOM 876 CA ASP A 60 8.159 0.442 -5.205 1.00 0.00 C ATOM 877 C ASP A 60 8.701 -0.212 -3.932 1.00 0.00 C ATOM 878 O ASP A 60 9.497 0.364 -3.218 1.00 0.00 O ATOM 879 CB ASP A 60 9.074 0.138 -6.391 1.00 0.00 C ATOM 880 CG ASP A 60 10.461 0.728 -6.129 1.00 0.00 C ATOM 881 OD1 ASP A 60 11.211 0.117 -5.385 1.00 0.00 O ATOM 882 OD2 ASP A 60 10.749 1.779 -6.675 1.00 0.00 O ATOM 0 H ASP A 60 8.781 2.412 -5.739 1.00 0.00 H new ATOM 0 HA ASP A 60 7.150 0.058 -5.358 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.148 -0.939 -6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.655 0.559 -7.305 1.00 0.00 H new ATOM 887 N GLY A 61 8.277 -1.412 -3.642 1.00 0.00 N ATOM 888 CA GLY A 61 8.774 -2.095 -2.415 1.00 0.00 C ATOM 889 C GLY A 61 7.960 -3.365 -2.167 1.00 0.00 C ATOM 890 O GLY A 61 7.230 -3.824 -3.023 1.00 0.00 O ATOM 0 H GLY A 61 7.611 -1.947 -4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.829 -2.344 -2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.694 -1.427 -1.557 1.00 0.00 H new ATOM 894 N LYS A 62 8.080 -3.936 -1.000 1.00 0.00 N ATOM 895 CA LYS A 62 7.313 -5.178 -0.694 1.00 0.00 C ATOM 896 C LYS A 62 6.534 -5.011 0.612 1.00 0.00 C ATOM 897 O LYS A 62 6.999 -4.393 1.549 1.00 0.00 O ATOM 898 CB LYS A 62 8.373 -6.271 -0.554 1.00 0.00 C ATOM 899 CG LYS A 62 7.690 -7.620 -0.314 1.00 0.00 C ATOM 900 CD LYS A 62 8.691 -8.595 0.308 1.00 0.00 C ATOM 901 CE LYS A 62 8.857 -9.810 -0.607 1.00 0.00 C ATOM 902 NZ LYS A 62 10.141 -9.577 -1.325 1.00 0.00 N ATOM 0 H LYS A 62 8.676 -3.597 -0.245 1.00 0.00 H new ATOM 0 HA LYS A 62 6.583 -5.415 -1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.984 -6.317 -1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.043 -6.038 0.274 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.832 -7.493 0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.312 -8.021 -1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.652 -8.102 0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.343 -8.912 1.291 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.888 -10.736 -0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.024 -9.896 -1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.325 -10.369 -1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.079 -8.692 -1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.916 -9.506 -0.636 1.00 0.00 H new ATOM 916 N VAL A 63 5.351 -5.555 0.680 1.00 0.00 N ATOM 917 CA VAL A 63 4.542 -5.424 1.928 1.00 0.00 C ATOM 918 C VAL A 63 4.947 -6.504 2.940 1.00 0.00 C ATOM 919 O VAL A 63 5.216 -7.636 2.587 1.00 0.00 O ATOM 920 CB VAL A 63 3.081 -5.595 1.475 1.00 0.00 C ATOM 921 CG1 VAL A 63 2.181 -5.951 2.666 1.00 0.00 C ATOM 922 CG2 VAL A 63 2.594 -4.282 0.868 1.00 0.00 C ATOM 0 H VAL A 63 4.909 -6.084 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 63 4.694 -4.467 2.427 1.00 0.00 H new ATOM 0 HB VAL A 63 3.033 -6.400 0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.153 -6.067 2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.522 -6.885 3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.228 -5.154 3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.559 -4.393 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.658 -3.490 1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.217 -4.024 0.012 1.00 0.00 H new ATOM 932 N GLU A 64 4.979 -6.155 4.195 1.00 0.00 N ATOM 933 CA GLU A 64 5.352 -7.147 5.241 1.00 0.00 C ATOM 934 C GLU A 64 4.226 -7.277 6.276 1.00 0.00 C ATOM 935 O GLU A 64 4.232 -8.172 7.098 1.00 0.00 O ATOM 936 CB GLU A 64 6.615 -6.582 5.895 1.00 0.00 C ATOM 937 CG GLU A 64 7.670 -6.306 4.822 1.00 0.00 C ATOM 938 CD GLU A 64 9.027 -6.830 5.294 1.00 0.00 C ATOM 939 OE1 GLU A 64 9.652 -6.158 6.098 1.00 0.00 O ATOM 940 OE2 GLU A 64 9.420 -7.892 4.841 1.00 0.00 O ATOM 0 H GLU A 64 4.762 -5.221 4.543 1.00 0.00 H new ATOM 0 HA GLU A 64 5.518 -8.140 4.824 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.379 -5.663 6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.004 -7.288 6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.387 -6.789 3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.731 -5.236 4.623 1.00 0.00 H new ATOM 947 N LYS A 65 3.257 -6.392 6.247 1.00 0.00 N ATOM 948 CA LYS A 65 2.135 -6.472 7.234 1.00 0.00 C ATOM 949 C LYS A 65 1.163 -5.307 7.021 1.00 0.00 C ATOM 950 O LYS A 65 1.457 -4.174 7.344 1.00 0.00 O ATOM 951 CB LYS A 65 2.793 -6.365 8.613 1.00 0.00 C ATOM 952 CG LYS A 65 2.687 -7.708 9.338 1.00 0.00 C ATOM 953 CD LYS A 65 3.949 -7.942 10.169 1.00 0.00 C ATOM 954 CE LYS A 65 3.565 -8.161 11.634 1.00 0.00 C ATOM 955 NZ LYS A 65 3.112 -9.577 11.706 1.00 0.00 N ATOM 0 H LYS A 65 3.196 -5.620 5.584 1.00 0.00 H new ATOM 0 HA LYS A 65 1.566 -7.395 7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.840 -6.079 8.507 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.308 -5.585 9.199 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.808 -7.717 9.982 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.560 -8.514 8.615 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.490 -8.809 9.791 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.618 -7.086 10.082 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.413 -7.984 12.295 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.774 -7.477 11.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.864 -9.813 12.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.278 -9.706 11.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.877 -10.203 11.383 1.00 0.00 H new ATOM 969 N VAL A 66 0.005 -5.575 6.483 1.00 0.00 N ATOM 970 CA VAL A 66 -0.981 -4.480 6.255 1.00 0.00 C ATOM 971 C VAL A 66 -1.999 -4.446 7.396 1.00 0.00 C ATOM 972 O VAL A 66 -2.387 -5.469 7.924 1.00 0.00 O ATOM 973 CB VAL A 66 -1.663 -4.832 4.934 1.00 0.00 C ATOM 974 CG1 VAL A 66 -0.614 -4.892 3.822 1.00 0.00 C ATOM 975 CG2 VAL A 66 -2.349 -6.194 5.062 1.00 0.00 C ATOM 0 H VAL A 66 -0.301 -6.503 6.192 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.511 -3.497 6.219 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.407 -4.072 4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.098 -5.143 2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.124 -3.923 3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.128 -5.653 4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.836 -6.446 4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.606 -6.955 5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.095 -6.153 5.856 1.00 0.00 H new ATOM 985 N LEU A 67 -2.435 -3.279 7.787 1.00 0.00 N ATOM 986 CA LEU A 67 -3.425 -3.192 8.898 1.00 0.00 C ATOM 987 C LEU A 67 -4.727 -2.548 8.409 1.00 0.00 C ATOM 988 O LEU A 67 -5.780 -2.758 8.976 1.00 0.00 O ATOM 989 CB LEU A 67 -2.752 -2.322 9.963 1.00 0.00 C ATOM 990 CG LEU A 67 -2.527 -0.911 9.415 1.00 0.00 C ATOM 991 CD1 LEU A 67 -3.471 0.068 10.117 1.00 0.00 C ATOM 992 CD2 LEU A 67 -1.077 -0.492 9.670 1.00 0.00 C ATOM 0 H LEU A 67 -2.150 -2.385 7.387 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.693 -4.174 9.287 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.374 -2.280 10.857 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.800 -2.763 10.258 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.727 -0.902 8.344 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.310 1.073 9.726 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.504 -0.230 9.937 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.272 0.060 11.189 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.915 0.513 9.280 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.878 -0.502 10.742 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.404 -1.188 9.170 1.00 0.00 H new ATOM 1004 N VAL A 68 -4.668 -1.769 7.363 1.00 0.00 N ATOM 1005 CA VAL A 68 -5.913 -1.123 6.852 1.00 0.00 C ATOM 1006 C VAL A 68 -6.918 -2.191 6.407 1.00 0.00 C ATOM 1007 O VAL A 68 -6.570 -3.337 6.204 1.00 0.00 O ATOM 1008 CB VAL A 68 -5.464 -0.278 5.661 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -4.493 0.799 6.141 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -4.768 -1.173 4.634 1.00 0.00 C ATOM 0 H VAL A 68 -3.818 -1.552 6.842 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.407 -0.520 7.614 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.332 0.194 5.201 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.171 1.403 5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.989 1.436 6.873 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.624 0.327 6.600 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.448 -0.570 3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.899 -1.645 5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.461 -1.942 4.293 1.00 0.00 H new ATOM 1020 N LYS A 69 -8.162 -1.824 6.254 1.00 0.00 N ATOM 1021 CA LYS A 69 -9.185 -2.820 5.823 1.00 0.00 C ATOM 1022 C LYS A 69 -10.384 -2.110 5.188 1.00 0.00 C ATOM 1023 O LYS A 69 -10.616 -0.938 5.414 1.00 0.00 O ATOM 1024 CB LYS A 69 -9.607 -3.537 7.106 1.00 0.00 C ATOM 1025 CG LYS A 69 -8.743 -4.785 7.303 1.00 0.00 C ATOM 1026 CD LYS A 69 -9.460 -5.761 8.239 1.00 0.00 C ATOM 1027 CE LYS A 69 -8.630 -5.954 9.510 1.00 0.00 C ATOM 1028 NZ LYS A 69 -9.470 -6.814 10.390 1.00 0.00 N ATOM 0 H LYS A 69 -8.514 -0.879 6.409 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.795 -3.513 5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.499 -2.869 7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.659 -3.816 7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.550 -5.262 6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.775 -4.508 7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.449 -5.378 8.492 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.607 -6.719 7.739 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.674 -6.429 9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.409 -4.999 9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.968 -6.991 11.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.370 -6.333 10.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.659 -7.719 9.913 1.00 0.00 H new ATOM 1042 N GLU A 70 -11.147 -2.810 4.395 1.00 0.00 N ATOM 1043 CA GLU A 70 -12.332 -2.177 3.745 1.00 0.00 C ATOM 1044 C GLU A 70 -13.403 -1.860 4.793 1.00 0.00 C ATOM 1045 O GLU A 70 -14.462 -2.454 4.811 1.00 0.00 O ATOM 1046 CB GLU A 70 -12.842 -3.224 2.755 1.00 0.00 C ATOM 1047 CG GLU A 70 -11.857 -3.349 1.591 1.00 0.00 C ATOM 1048 CD GLU A 70 -11.497 -4.821 1.381 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -12.337 -5.551 0.881 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -10.387 -5.195 1.725 1.00 0.00 O ATOM 0 H GLU A 70 -11.002 -3.794 4.168 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.083 -1.237 3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.956 -4.186 3.254 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.826 -2.939 2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.298 -2.939 0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.957 -2.770 1.799 1.00 0.00 H new ATOM 1057 N ARG A 71 -13.135 -0.928 5.665 1.00 0.00 N ATOM 1058 CA ARG A 71 -14.137 -0.573 6.712 1.00 0.00 C ATOM 1059 C ARG A 71 -13.660 0.645 7.508 1.00 0.00 C ATOM 1060 O ARG A 71 -14.423 1.543 7.805 1.00 0.00 O ATOM 1061 CB ARG A 71 -14.219 -1.804 7.615 1.00 0.00 C ATOM 1062 CG ARG A 71 -15.666 -2.014 8.063 1.00 0.00 C ATOM 1063 CD ARG A 71 -15.866 -3.472 8.482 1.00 0.00 C ATOM 1064 NE ARG A 71 -16.042 -3.426 9.961 1.00 0.00 N ATOM 1065 CZ ARG A 71 -15.530 -4.366 10.709 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -14.284 -4.719 10.552 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -16.266 -4.952 11.614 1.00 0.00 N ATOM 0 H ARG A 71 -12.265 -0.396 5.699 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.106 -0.315 6.286 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.861 -2.684 7.081 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -13.574 -1.674 8.484 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.900 -1.350 8.895 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -16.349 -1.761 7.252 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.738 -3.907 7.994 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.007 -4.084 8.205 1.00 0.00 H new ATOM 0 HE ARG A 71 -16.562 -2.660 10.389 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -13.709 -4.261 9.845 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.884 -5.453 11.136 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -17.240 -4.676 11.736 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -15.867 -5.686 12.199 1.00 0.00 H new ATOM 1081 N ASP A 72 -12.404 0.680 7.857 1.00 0.00 N ATOM 1082 CA ASP A 72 -11.876 1.835 8.638 1.00 0.00 C ATOM 1083 C ASP A 72 -12.088 3.142 7.867 1.00 0.00 C ATOM 1084 O ASP A 72 -12.078 3.167 6.653 1.00 0.00 O ATOM 1085 CB ASP A 72 -10.384 1.551 8.807 1.00 0.00 C ATOM 1086 CG ASP A 72 -9.863 2.280 10.047 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -10.338 3.372 10.311 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -9.000 1.733 10.713 1.00 0.00 O ATOM 0 H ASP A 72 -11.719 -0.042 7.635 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.382 1.947 9.597 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.216 0.479 8.905 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.838 1.880 7.923 1.00 0.00 H new ATOM 1093 N ALA A 73 -12.274 4.227 8.568 1.00 0.00 N ATOM 1094 CA ALA A 73 -12.481 5.534 7.879 1.00 0.00 C ATOM 1095 C ALA A 73 -11.501 6.574 8.430 1.00 0.00 C ATOM 1096 O ALA A 73 -10.714 6.281 9.306 1.00 0.00 O ATOM 1097 CB ALA A 73 -13.921 5.931 8.202 1.00 0.00 C ATOM 0 H ALA A 73 -12.292 4.266 9.587 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.311 5.469 6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.150 6.886 7.729 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.602 5.167 7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.039 6.023 9.282 1.00 0.00 H new ATOM 1103 N VAL A 74 -11.555 7.785 7.920 1.00 0.00 N ATOM 1104 CA VAL A 74 -10.639 8.883 8.391 1.00 0.00 C ATOM 1105 C VAL A 74 -9.239 8.349 8.731 1.00 0.00 C ATOM 1106 O VAL A 74 -8.835 8.319 9.876 1.00 0.00 O ATOM 1107 CB VAL A 74 -11.313 9.489 9.631 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -12.632 10.146 9.219 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -11.594 8.407 10.677 1.00 0.00 C ATOM 0 H VAL A 74 -12.205 8.065 7.185 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.490 9.628 7.609 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.643 10.231 10.065 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -13.113 10.577 10.097 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -12.435 10.932 8.490 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -13.289 9.397 8.776 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -12.071 8.857 11.547 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.254 7.652 10.251 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.656 7.940 10.979 1.00 0.00 H new ATOM 1119 N GLN A 75 -8.501 7.929 7.741 1.00 0.00 N ATOM 1120 CA GLN A 75 -7.132 7.395 8.003 1.00 0.00 C ATOM 1121 C GLN A 75 -6.148 8.535 8.303 1.00 0.00 C ATOM 1122 O GLN A 75 -4.983 8.302 8.559 1.00 0.00 O ATOM 1123 CB GLN A 75 -6.739 6.676 6.712 1.00 0.00 C ATOM 1124 CG GLN A 75 -7.514 5.363 6.606 1.00 0.00 C ATOM 1125 CD GLN A 75 -6.916 4.338 7.571 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -5.775 3.946 7.429 1.00 0.00 O ATOM 1127 NE2 GLN A 75 -7.643 3.886 8.556 1.00 0.00 N ATOM 0 H GLN A 75 -8.785 7.932 6.761 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.112 6.733 8.869 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -6.954 7.308 5.851 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -5.667 6.480 6.704 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.565 5.529 6.841 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.471 4.985 5.585 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -8.601 4.215 8.676 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -7.253 3.204 9.206 1.00 0.00 H new ATOM 1136 N GLY A 76 -6.598 9.762 8.277 1.00 0.00 N ATOM 1137 CA GLY A 76 -5.675 10.896 8.563 1.00 0.00 C ATOM 1138 C GLY A 76 -5.001 10.679 9.919 1.00 0.00 C ATOM 1139 O GLY A 76 -5.604 10.857 10.958 1.00 0.00 O ATOM 0 H GLY A 76 -7.561 10.026 8.071 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.922 10.972 7.779 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.227 11.836 8.566 1.00 0.00 H new ATOM 1143 N GLY A 77 -3.755 10.292 9.916 1.00 0.00 N ATOM 1144 CA GLY A 77 -3.044 10.061 11.206 1.00 0.00 C ATOM 1145 C GLY A 77 -3.268 8.619 11.664 1.00 0.00 C ATOM 1146 O GLY A 77 -3.764 8.372 12.746 1.00 0.00 O ATOM 0 H GLY A 77 -3.199 10.126 9.077 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.978 10.253 11.085 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.409 10.755 11.963 1.00 0.00 H new ATOM 1150 N GLN A 78 -2.906 7.665 10.851 1.00 0.00 N ATOM 1151 CA GLN A 78 -3.096 6.238 11.242 1.00 0.00 C ATOM 1152 C GLN A 78 -2.243 5.329 10.352 1.00 0.00 C ATOM 1153 O GLN A 78 -2.151 5.525 9.157 1.00 0.00 O ATOM 1154 CB GLN A 78 -4.584 5.963 11.025 1.00 0.00 C ATOM 1155 CG GLN A 78 -5.145 5.207 12.231 1.00 0.00 C ATOM 1156 CD GLN A 78 -6.490 4.578 11.861 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -6.573 3.390 11.621 1.00 0.00 O ATOM 1158 NE2 GLN A 78 -7.555 5.330 11.803 1.00 0.00 N ATOM 0 H GLN A 78 -2.487 7.811 9.933 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.794 6.046 12.272 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.122 6.901 10.888 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.728 5.378 10.117 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.445 4.434 12.546 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.269 5.887 13.074 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.486 6.328 12.004 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.456 4.920 11.556 1.00 0.00 H new ATOM 1167 N GLY A 79 -1.618 4.337 10.927 1.00 0.00 N ATOM 1168 CA GLY A 79 -0.768 3.416 10.117 1.00 0.00 C ATOM 1169 C GLY A 79 -1.567 2.883 8.925 1.00 0.00 C ATOM 1170 O GLY A 79 -2.715 2.508 9.051 1.00 0.00 O ATOM 0 H GLY A 79 -1.659 4.124 11.924 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.120 3.941 9.765 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.424 2.587 10.735 1.00 0.00 H new ATOM 1174 N LEU A 80 -0.964 2.846 7.767 1.00 0.00 N ATOM 1175 CA LEU A 80 -1.686 2.335 6.565 1.00 0.00 C ATOM 1176 C LEU A 80 -1.236 0.904 6.254 1.00 0.00 C ATOM 1177 O LEU A 80 -1.968 -0.048 6.451 1.00 0.00 O ATOM 1178 CB LEU A 80 -1.286 3.282 5.432 1.00 0.00 C ATOM 1179 CG LEU A 80 -2.281 4.441 5.359 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -1.712 5.545 4.465 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -3.604 3.942 4.775 1.00 0.00 C ATOM 0 H LEU A 80 -0.004 3.147 7.601 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.766 2.307 6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.279 3.664 5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.268 2.744 4.484 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.453 4.836 6.360 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.420 6.372 4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.770 5.901 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.540 5.150 3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.313 4.768 4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.434 3.546 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.009 3.155 5.412 1.00 0.00 H new ATOM 1193 N ILE A 81 -0.032 0.750 5.774 1.00 0.00 N ATOM 1194 CA ILE A 81 0.484 -0.612 5.453 1.00 0.00 C ATOM 1195 C ILE A 81 2.000 -0.654 5.670 1.00 0.00 C ATOM 1196 O ILE A 81 2.678 0.348 5.563 1.00 0.00 O ATOM 1197 CB ILE A 81 0.146 -0.836 3.978 1.00 0.00 C ATOM 1198 CG1 ILE A 81 0.735 0.302 3.140 1.00 0.00 C ATOM 1199 CG2 ILE A 81 -1.374 -0.866 3.798 1.00 0.00 C ATOM 1200 CD1 ILE A 81 0.742 -0.102 1.664 1.00 0.00 C ATOM 0 H ILE A 81 0.620 1.513 5.589 1.00 0.00 H new ATOM 0 HA ILE A 81 0.044 -1.382 6.086 1.00 0.00 H new ATOM 0 HB ILE A 81 0.569 -1.786 3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.148 1.210 3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.749 0.525 3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.613 -1.026 2.747 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.795 -1.677 4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.798 0.083 4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.161 0.708 1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.348 -0.999 1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.278 -0.303 1.337 1.00 0.00 H new ATOM 1212 N LYS A 82 2.539 -1.803 5.978 1.00 0.00 N ATOM 1213 CA LYS A 82 4.010 -1.895 6.205 1.00 0.00 C ATOM 1214 C LYS A 82 4.734 -2.228 4.898 1.00 0.00 C ATOM 1215 O LYS A 82 4.452 -3.221 4.256 1.00 0.00 O ATOM 1216 CB LYS A 82 4.185 -3.024 7.220 1.00 0.00 C ATOM 1217 CG LYS A 82 5.389 -2.726 8.115 1.00 0.00 C ATOM 1218 CD LYS A 82 6.681 -2.960 7.330 1.00 0.00 C ATOM 1219 CE LYS A 82 7.788 -3.407 8.286 1.00 0.00 C ATOM 1220 NZ LYS A 82 8.982 -2.610 7.890 1.00 0.00 N ATOM 0 H LYS A 82 2.027 -2.679 6.082 1.00 0.00 H new ATOM 0 HA LYS A 82 4.429 -0.955 6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.285 -3.125 7.826 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.329 -3.973 6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.347 -1.695 8.467 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.366 -3.366 8.997 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.520 -3.718 6.563 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.977 -2.045 6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.514 -3.218 9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.979 -4.476 8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.550 -2.393 8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.557 -3.157 7.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.674 -1.723 7.442 1.00 0.00 H new ATOM 1234 N ILE A 83 5.669 -1.408 4.502 1.00 0.00 N ATOM 1235 CA ILE A 83 6.415 -1.682 3.241 1.00 0.00 C ATOM 1236 C ILE A 83 7.924 -1.595 3.489 1.00 0.00 C ATOM 1237 O ILE A 83 8.393 -0.761 4.237 1.00 0.00 O ATOM 1238 CB ILE A 83 5.965 -0.596 2.258 1.00 0.00 C ATOM 1239 CG1 ILE A 83 6.592 -0.861 0.888 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.410 0.782 2.761 1.00 0.00 C ATOM 1241 CD1 ILE A 83 5.786 -0.140 -0.192 1.00 0.00 C ATOM 0 H ILE A 83 5.948 -0.561 4.997 1.00 0.00 H new ATOM 0 HA ILE A 83 6.214 -2.681 2.855 1.00 0.00 H new ATOM 0 HB ILE A 83 4.878 -0.615 2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 83 7.626 -0.515 0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.612 -1.932 0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.086 1.548 2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.964 0.974 3.737 1.00 0.00 H new ATOM 0 HG23 ILE A 83 7.496 0.804 2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.234 -0.330 -1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.760 -0.507 -0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.789 0.932 0.006 1.00 0.00 H new ATOM 1253 N GLY A 84 8.688 -2.451 2.865 1.00 0.00 N ATOM 1254 CA GLY A 84 10.164 -2.417 3.066 1.00 0.00 C ATOM 1255 C GLY A 84 10.603 -3.662 3.836 1.00 0.00 C ATOM 1256 O GLY A 84 11.145 -3.505 4.918 1.00 0.00 O ATOM 1257 OXT GLY A 84 10.390 -4.753 3.332 1.00 0.00 O ATOM 0 H GLY A 84 8.353 -3.172 2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.672 -2.375 2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.446 -1.519 3.615 1.00 0.00 H new TER 1261 GLY A 84