USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= -0.506 (180deg=-1.6!) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0295 USER MOD Single : A 3 LYS NZ :NH3+ 163:sc= -0.0124 (180deg=-0.198) USER MOD Single : A 6 SER OG : rot 94:sc= -0.653 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -3.87! C(o=-4.6!,f=-3.9!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.181 K(o=-0.18,f=-2.2!) USER MOD Single : A 30 HIS : no HD1:sc= -0.549 K(o=-0.55,f=-3.3!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -2.21 F(o=-2.8,f=-2.2) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.145) USER MOD Single : A 43 ASN : amide:sc= -2.64 X(o=-2.6,f=-2.6!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00669 USER MOD Single : A 52 LYS NZ :NH3+ -135:sc= -0.264 (180deg=-1.76!) USER MOD Single : A 58 THR OG1 : rot -160:sc= 0.048 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.035 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.060 5.800 2.992 1.00 0.00 N ATOM 2 CA MET A 1 6.801 5.156 2.552 1.00 0.00 C ATOM 3 C MET A 1 5.990 6.122 1.698 1.00 0.00 C ATOM 4 O MET A 1 4.797 5.961 1.536 1.00 0.00 O ATOM 5 CB MET A 1 5.958 4.762 3.775 1.00 0.00 C ATOM 6 CG MET A 1 5.569 6.025 4.544 1.00 0.00 C ATOM 7 SD MET A 1 5.106 5.831 6.283 1.00 0.00 S ATOM 8 CE MET A 1 4.650 7.555 6.591 1.00 0.00 C ATOM 0 H1 MET A 1 8.401 5.339 3.860 1.00 0.00 H new ATOM 0 H2 MET A 1 8.778 5.706 2.245 1.00 0.00 H new ATOM 0 H3 MET A 1 7.887 6.808 3.181 1.00 0.00 H new ATOM 0 HA MET A 1 7.053 4.269 1.971 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.064 4.225 3.458 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.523 4.089 4.420 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.406 6.721 4.494 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.734 6.493 4.023 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.326 7.666 7.626 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.512 8.197 6.409 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.837 7.841 5.924 1.00 0.00 H new ATOM 17 N SER A 2 6.654 7.110 1.165 1.00 0.00 N ATOM 18 CA SER A 2 5.941 8.097 0.318 1.00 0.00 C ATOM 19 C SER A 2 6.929 9.034 -0.363 1.00 0.00 C ATOM 20 O SER A 2 7.706 9.701 0.290 1.00 0.00 O ATOM 21 CB SER A 2 5.012 8.926 1.219 1.00 0.00 C ATOM 22 OG SER A 2 4.376 9.829 0.325 1.00 0.00 O ATOM 0 H SER A 2 7.654 7.273 1.280 1.00 0.00 H new ATOM 0 HA SER A 2 5.374 7.569 -0.448 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.286 8.295 1.731 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.573 9.456 1.989 1.00 0.00 H new ATOM 0 HG SER A 2 3.757 10.402 0.824 1.00 0.00 H new ATOM 28 N LYS A 3 6.882 9.067 -1.666 1.00 0.00 N ATOM 29 CA LYS A 3 7.810 9.954 -2.406 1.00 0.00 C ATOM 30 C LYS A 3 7.244 10.305 -3.775 1.00 0.00 C ATOM 31 O LYS A 3 7.797 9.939 -4.792 1.00 0.00 O ATOM 32 CB LYS A 3 9.142 9.210 -2.595 1.00 0.00 C ATOM 33 CG LYS A 3 8.856 7.748 -2.946 1.00 0.00 C ATOM 34 CD LYS A 3 10.128 7.109 -3.506 1.00 0.00 C ATOM 35 CE LYS A 3 9.791 5.727 -4.070 1.00 0.00 C ATOM 36 NZ LYS A 3 9.042 5.853 -5.352 1.00 0.00 N ATOM 0 H LYS A 3 6.244 8.520 -2.244 1.00 0.00 H new ATOM 0 HA LYS A 3 7.952 10.875 -1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.725 9.679 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.737 9.268 -1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.522 7.207 -2.060 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.051 7.688 -3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 3 10.553 7.740 -4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.881 7.021 -2.722 1.00 0.00 H new ATOM 0 HE2 LYS A 3 10.708 5.161 -4.232 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.195 5.169 -3.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.071 4.947 -5.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.053 6.106 -5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 9.478 6.594 -5.937 1.00 0.00 H new ATOM 50 N GLU A 4 6.145 11.012 -3.776 1.00 0.00 N ATOM 51 CA GLU A 4 5.526 11.397 -5.067 1.00 0.00 C ATOM 52 C GLU A 4 6.130 12.690 -5.598 1.00 0.00 C ATOM 53 O GLU A 4 7.156 12.678 -6.250 1.00 0.00 O ATOM 54 CB GLU A 4 4.023 11.617 -4.837 1.00 0.00 C ATOM 55 CG GLU A 4 3.375 10.290 -4.441 1.00 0.00 C ATOM 56 CD GLU A 4 3.876 9.876 -3.055 1.00 0.00 C ATOM 57 OE1 GLU A 4 3.955 10.763 -2.220 1.00 0.00 O ATOM 58 OE2 GLU A 4 4.153 8.697 -2.910 1.00 0.00 O ATOM 0 H GLU A 4 5.656 11.335 -2.942 1.00 0.00 H new ATOM 0 HA GLU A 4 5.704 10.604 -5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.868 12.359 -4.054 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.558 12.007 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.290 10.390 -4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.619 9.520 -5.173 1.00 0.00 H new ATOM 65 N ASP A 5 5.481 13.786 -5.310 1.00 0.00 N ATOM 66 CA ASP A 5 6.001 15.089 -5.788 1.00 0.00 C ATOM 67 C ASP A 5 5.496 16.231 -4.910 1.00 0.00 C ATOM 68 O ASP A 5 6.269 16.890 -4.242 1.00 0.00 O ATOM 69 CB ASP A 5 5.503 15.307 -7.224 1.00 0.00 C ATOM 70 CG ASP A 5 6.468 16.244 -7.953 1.00 0.00 C ATOM 71 OD1 ASP A 5 6.916 17.173 -7.302 1.00 0.00 O ATOM 72 OD2 ASP A 5 6.707 15.976 -9.119 1.00 0.00 O ATOM 0 H ASP A 5 4.619 13.831 -4.767 1.00 0.00 H new ATOM 0 HA ASP A 5 7.090 15.077 -5.747 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.437 14.353 -7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 5 4.500 15.734 -7.213 1.00 0.00 H new ATOM 77 N SER A 6 4.206 16.441 -4.921 1.00 0.00 N ATOM 78 CA SER A 6 3.641 17.534 -4.091 1.00 0.00 C ATOM 79 C SER A 6 4.233 17.497 -2.686 1.00 0.00 C ATOM 80 O SER A 6 4.119 16.505 -1.994 1.00 0.00 O ATOM 81 CB SER A 6 2.120 17.327 -3.992 1.00 0.00 C ATOM 82 OG SER A 6 1.802 16.542 -5.133 1.00 0.00 O ATOM 0 H SER A 6 3.528 15.906 -5.465 1.00 0.00 H new ATOM 0 HA SER A 6 3.877 18.495 -4.549 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.846 16.817 -3.068 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.587 18.278 -4.001 1.00 0.00 H new ATOM 0 HG SER A 6 1.805 15.593 -4.888 1.00 0.00 H new ATOM 88 N PHE A 7 4.856 18.576 -2.285 1.00 0.00 N ATOM 89 CA PHE A 7 5.458 18.596 -0.922 1.00 0.00 C ATOM 90 C PHE A 7 6.293 19.851 -0.716 1.00 0.00 C ATOM 91 O PHE A 7 6.322 20.713 -1.559 1.00 0.00 O ATOM 92 CB PHE A 7 6.365 17.363 -0.772 1.00 0.00 C ATOM 93 CG PHE A 7 5.762 16.417 0.269 1.00 0.00 C ATOM 94 CD1 PHE A 7 5.493 16.864 1.553 1.00 0.00 C ATOM 95 CD2 PHE A 7 5.472 15.104 -0.059 1.00 0.00 C ATOM 96 CE1 PHE A 7 4.942 16.012 2.488 1.00 0.00 C ATOM 97 CE2 PHE A 7 4.922 14.255 0.881 1.00 0.00 C ATOM 98 CZ PHE A 7 4.658 14.709 2.152 1.00 0.00 C ATOM 0 H PHE A 7 4.972 19.429 -2.833 1.00 0.00 H new ATOM 0 HA PHE A 7 4.659 18.585 -0.181 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.466 16.852 -1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.366 17.668 -0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.716 17.886 1.823 1.00 0.00 H new ATOM 0 HD2 PHE A 7 5.677 14.742 -1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 7 4.733 16.369 3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.699 13.232 0.617 1.00 0.00 H new ATOM 0 HZ PHE A 7 4.228 14.043 2.886 1.00 0.00 H new ATOM 108 N GLU A 8 6.978 19.916 0.400 1.00 0.00 N ATOM 109 CA GLU A 8 7.819 21.113 0.677 1.00 0.00 C ATOM 110 C GLU A 8 9.232 20.938 0.123 1.00 0.00 C ATOM 111 O GLU A 8 9.741 19.838 0.045 1.00 0.00 O ATOM 112 CB GLU A 8 7.910 21.297 2.200 1.00 0.00 C ATOM 113 CG GLU A 8 8.608 20.081 2.811 1.00 0.00 C ATOM 114 CD GLU A 8 8.383 20.077 4.324 1.00 0.00 C ATOM 115 OE1 GLU A 8 7.321 19.620 4.712 1.00 0.00 O ATOM 116 OE2 GLU A 8 9.287 20.530 5.007 1.00 0.00 O ATOM 0 H GLU A 8 6.989 19.197 1.123 1.00 0.00 H new ATOM 0 HA GLU A 8 7.364 21.980 0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.463 22.206 2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.913 21.411 2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.217 19.164 2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.675 20.111 2.590 1.00 0.00 H new ATOM 123 N MET A 9 9.838 22.037 -0.253 1.00 0.00 N ATOM 124 CA MET A 9 11.217 21.966 -0.806 1.00 0.00 C ATOM 125 C MET A 9 11.899 23.332 -0.725 1.00 0.00 C ATOM 126 O MET A 9 11.312 24.336 -1.060 1.00 0.00 O ATOM 127 CB MET A 9 11.124 21.546 -2.281 1.00 0.00 C ATOM 128 CG MET A 9 12.424 20.851 -2.691 1.00 0.00 C ATOM 129 SD MET A 9 12.944 19.417 -1.717 1.00 0.00 S ATOM 130 CE MET A 9 13.596 18.435 -3.090 1.00 0.00 C ATOM 0 H MET A 9 9.437 22.973 -0.200 1.00 0.00 H new ATOM 0 HA MET A 9 11.800 21.247 -0.230 1.00 0.00 H new ATOM 0 HB2 MET A 9 10.277 20.875 -2.427 1.00 0.00 H new ATOM 0 HB3 MET A 9 10.951 22.419 -2.910 1.00 0.00 H new ATOM 0 HG2 MET A 9 12.324 20.535 -3.729 1.00 0.00 H new ATOM 0 HG3 MET A 9 13.225 21.589 -2.658 1.00 0.00 H new ATOM 0 HE1 MET A 9 13.978 17.487 -2.710 1.00 0.00 H new ATOM 0 HE2 MET A 9 12.801 18.243 -3.810 1.00 0.00 H new ATOM 0 HE3 MET A 9 14.403 18.982 -3.578 1.00 0.00 H new ATOM 140 N GLU A 10 13.131 23.341 -0.289 1.00 0.00 N ATOM 141 CA GLU A 10 13.862 24.636 -0.179 1.00 0.00 C ATOM 142 C GLU A 10 14.440 25.062 -1.532 1.00 0.00 C ATOM 143 O GLU A 10 14.830 24.231 -2.327 1.00 0.00 O ATOM 144 CB GLU A 10 15.026 24.448 0.809 1.00 0.00 C ATOM 145 CG GLU A 10 14.501 23.797 2.092 1.00 0.00 C ATOM 146 CD GLU A 10 15.670 23.172 2.858 1.00 0.00 C ATOM 147 OE1 GLU A 10 16.640 23.889 3.045 1.00 0.00 O ATOM 148 OE2 GLU A 10 15.527 22.013 3.212 1.00 0.00 O ATOM 0 H GLU A 10 13.659 22.515 -0.007 1.00 0.00 H new ATOM 0 HA GLU A 10 13.168 25.405 0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.800 23.825 0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.484 25.411 1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.001 24.541 2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.761 23.034 1.850 1.00 0.00 H new ATOM 155 N GLY A 11 14.484 26.358 -1.773 1.00 0.00 N ATOM 156 CA GLY A 11 15.040 26.841 -3.079 1.00 0.00 C ATOM 157 C GLY A 11 15.421 28.323 -2.969 1.00 0.00 C ATOM 158 O GLY A 11 15.308 28.910 -1.910 1.00 0.00 O ATOM 0 H GLY A 11 14.165 27.086 -1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.915 26.251 -3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.303 26.704 -3.871 1.00 0.00 H new ATOM 162 N THR A 12 15.870 28.897 -4.069 1.00 0.00 N ATOM 163 CA THR A 12 16.264 30.339 -4.047 1.00 0.00 C ATOM 164 C THR A 12 15.427 31.112 -5.051 1.00 0.00 C ATOM 165 O THR A 12 15.063 30.583 -6.070 1.00 0.00 O ATOM 166 CB THR A 12 17.740 30.449 -4.438 1.00 0.00 C ATOM 167 OG1 THR A 12 18.444 29.748 -3.436 1.00 0.00 O ATOM 168 CG2 THR A 12 18.229 31.897 -4.314 1.00 0.00 C ATOM 0 H THR A 12 15.978 28.430 -4.969 1.00 0.00 H new ATOM 0 HA THR A 12 16.104 30.750 -3.050 1.00 0.00 H new ATOM 0 HB THR A 12 17.882 30.084 -5.455 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.404 29.778 -3.629 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.280 31.951 -4.597 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.642 32.537 -4.973 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.112 32.233 -3.284 1.00 0.00 H new ATOM 176 N VAL A 13 15.171 32.370 -4.765 1.00 0.00 N ATOM 177 CA VAL A 13 14.325 33.193 -5.744 1.00 0.00 C ATOM 178 C VAL A 13 15.085 34.207 -6.579 1.00 0.00 C ATOM 179 O VAL A 13 15.457 35.240 -6.087 1.00 0.00 O ATOM 180 CB VAL A 13 13.320 34.007 -4.936 1.00 0.00 C ATOM 181 CG1 VAL A 13 12.415 34.778 -5.897 1.00 0.00 C ATOM 182 CG2 VAL A 13 12.467 33.043 -4.097 1.00 0.00 C ATOM 0 H VAL A 13 15.490 32.864 -3.931 1.00 0.00 H new ATOM 0 HA VAL A 13 13.892 32.460 -6.425 1.00 0.00 H new ATOM 0 HB VAL A 13 13.841 34.707 -4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.693 35.363 -5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.020 35.446 -6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.885 34.076 -6.541 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.743 33.612 -3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.940 32.355 -4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.112 32.478 -3.424 1.00 0.00 H new ATOM 192 N VAL A 14 15.234 33.938 -7.866 1.00 0.00 N ATOM 193 CA VAL A 14 15.953 34.900 -8.694 1.00 0.00 C ATOM 194 C VAL A 14 15.351 34.918 -10.096 1.00 0.00 C ATOM 195 O VAL A 14 15.831 34.301 -11.030 1.00 0.00 O ATOM 196 CB VAL A 14 17.417 34.435 -8.768 1.00 0.00 C ATOM 197 CG1 VAL A 14 18.344 35.641 -8.609 1.00 0.00 C ATOM 198 CG2 VAL A 14 17.688 33.434 -7.641 1.00 0.00 C ATOM 0 H VAL A 14 14.888 33.106 -8.344 1.00 0.00 H new ATOM 0 HA VAL A 14 15.885 35.903 -8.272 1.00 0.00 H new ATOM 0 HB VAL A 14 17.600 33.960 -9.732 1.00 0.00 H new ATOM 0 HG11 VAL A 14 19.382 35.312 -8.661 1.00 0.00 H new ATOM 0 HG12 VAL A 14 18.150 36.357 -9.408 1.00 0.00 H new ATOM 0 HG13 VAL A 14 18.162 36.115 -7.645 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.725 33.102 -7.691 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.505 33.912 -6.678 1.00 0.00 H new ATOM 0 HG23 VAL A 14 17.027 32.575 -7.751 1.00 0.00 H new ATOM 208 N ASP A 15 14.308 35.657 -10.183 1.00 0.00 N ATOM 209 CA ASP A 15 13.581 35.816 -11.449 1.00 0.00 C ATOM 210 C ASP A 15 12.279 36.556 -11.173 1.00 0.00 C ATOM 211 O ASP A 15 11.667 36.326 -10.145 1.00 0.00 O ATOM 212 CB ASP A 15 13.286 34.445 -12.023 1.00 0.00 C ATOM 213 CG ASP A 15 14.022 34.289 -13.355 1.00 0.00 C ATOM 214 OD1 ASP A 15 13.745 35.098 -14.226 1.00 0.00 O ATOM 215 OD2 ASP A 15 14.821 33.369 -13.427 1.00 0.00 O ATOM 0 H ASP A 15 13.912 36.178 -9.401 1.00 0.00 H new ATOM 0 HA ASP A 15 14.178 36.383 -12.164 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.603 33.670 -11.326 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.213 34.322 -12.170 1.00 0.00 H new ATOM 220 N THR A 16 11.866 37.406 -12.069 1.00 0.00 N ATOM 221 CA THR A 16 10.586 38.153 -11.831 1.00 0.00 C ATOM 222 C THR A 16 9.541 37.815 -12.883 1.00 0.00 C ATOM 223 O THR A 16 9.841 37.728 -14.058 1.00 0.00 O ATOM 224 CB THR A 16 10.879 39.654 -11.896 1.00 0.00 C ATOM 225 OG1 THR A 16 9.625 40.285 -11.736 1.00 0.00 O ATOM 226 CG2 THR A 16 11.340 40.065 -13.303 1.00 0.00 C ATOM 0 H THR A 16 12.345 37.619 -12.944 1.00 0.00 H new ATOM 0 HA THR A 16 10.195 37.868 -10.854 1.00 0.00 H new ATOM 0 HB THR A 16 11.637 39.913 -11.157 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.742 41.258 -11.766 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.541 41.136 -13.321 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.248 39.520 -13.562 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.558 39.830 -14.025 1.00 0.00 H new ATOM 234 N LEU A 17 8.323 37.627 -12.424 1.00 0.00 N ATOM 235 CA LEU A 17 7.213 37.291 -13.354 1.00 0.00 C ATOM 236 C LEU A 17 6.080 38.324 -13.209 1.00 0.00 C ATOM 237 O LEU A 17 6.073 39.102 -12.268 1.00 0.00 O ATOM 238 CB LEU A 17 6.689 35.909 -12.972 1.00 0.00 C ATOM 239 CG LEU A 17 7.694 34.853 -13.424 1.00 0.00 C ATOM 240 CD1 LEU A 17 7.109 33.490 -13.151 1.00 0.00 C ATOM 241 CD2 LEU A 17 7.955 34.990 -14.927 1.00 0.00 C ATOM 0 H LEU A 17 8.057 37.694 -11.441 1.00 0.00 H new ATOM 0 HA LEU A 17 7.566 37.300 -14.385 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.539 35.848 -11.894 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.721 35.731 -13.440 1.00 0.00 H new ATOM 0 HG LEU A 17 8.632 34.984 -12.884 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.814 32.721 -13.468 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.913 33.385 -12.084 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.176 33.377 -13.704 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.673 34.233 -15.242 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.021 34.854 -15.472 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.357 35.981 -15.138 1.00 0.00 H new ATOM 253 N PRO A 18 5.094 38.284 -14.110 1.00 0.00 N ATOM 254 CA PRO A 18 3.990 39.230 -14.039 1.00 0.00 C ATOM 255 C PRO A 18 2.801 38.621 -13.327 1.00 0.00 C ATOM 256 O PRO A 18 2.712 37.422 -13.176 1.00 0.00 O ATOM 257 CB PRO A 18 3.601 39.446 -15.515 1.00 0.00 C ATOM 258 CG PRO A 18 4.191 38.234 -16.312 1.00 0.00 C ATOM 259 CD PRO A 18 5.112 37.466 -15.340 1.00 0.00 C ATOM 0 HA PRO A 18 4.268 40.139 -13.505 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.518 39.494 -15.628 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.003 40.388 -15.888 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.394 37.589 -16.680 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.749 38.579 -17.182 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.744 36.457 -15.154 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.121 37.368 -15.740 1.00 0.00 H new ATOM 267 N ASN A 19 1.918 39.475 -12.883 1.00 0.00 N ATOM 268 CA ASN A 19 0.715 38.997 -12.167 1.00 0.00 C ATOM 269 C ASN A 19 1.098 38.621 -10.745 1.00 0.00 C ATOM 270 O ASN A 19 0.493 37.760 -10.140 1.00 0.00 O ATOM 271 CB ASN A 19 0.137 37.757 -12.883 1.00 0.00 C ATOM 272 CG ASN A 19 0.446 37.839 -14.381 1.00 0.00 C ATOM 273 OD1 ASN A 19 0.224 38.959 -15.013 1.00 0.00 O flip ATOM 274 ND2 ASN A 19 0.887 36.884 -14.989 1.00 0.00 N flip ATOM 0 H ASN A 19 1.985 40.487 -12.989 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.036 39.787 -12.154 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.567 36.848 -12.462 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.940 37.703 -12.726 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.063 36.006 -14.501 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.081 36.961 -15.987 1.00 0.00 H new ATOM 281 N THR A 20 2.119 39.285 -10.246 1.00 0.00 N ATOM 282 CA THR A 20 2.590 39.010 -8.866 1.00 0.00 C ATOM 283 C THR A 20 3.192 37.620 -8.771 1.00 0.00 C ATOM 284 O THR A 20 2.689 36.779 -8.050 1.00 0.00 O ATOM 285 CB THR A 20 1.397 39.105 -7.901 1.00 0.00 C ATOM 286 OG1 THR A 20 0.619 40.186 -8.376 1.00 0.00 O ATOM 287 CG2 THR A 20 1.861 39.547 -6.505 1.00 0.00 C ATOM 0 H THR A 20 2.641 40.006 -10.745 1.00 0.00 H new ATOM 0 HA THR A 20 3.353 39.743 -8.603 1.00 0.00 H new ATOM 0 HB THR A 20 0.885 38.144 -7.848 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.166 40.301 -7.801 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.001 39.608 -5.838 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.574 38.822 -6.112 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.337 40.525 -6.573 1.00 0.00 H new ATOM 295 N MET A 21 4.265 37.392 -9.502 1.00 0.00 N ATOM 296 CA MET A 21 4.895 36.044 -9.445 1.00 0.00 C ATOM 297 C MET A 21 6.415 36.121 -9.518 1.00 0.00 C ATOM 298 O MET A 21 6.979 37.122 -9.917 1.00 0.00 O ATOM 299 CB MET A 21 4.388 35.230 -10.643 1.00 0.00 C ATOM 300 CG MET A 21 2.978 34.720 -10.338 1.00 0.00 C ATOM 301 SD MET A 21 2.810 33.452 -9.058 1.00 0.00 S ATOM 302 CE MET A 21 1.208 32.802 -9.595 1.00 0.00 C ATOM 0 H MET A 21 4.716 38.068 -10.118 1.00 0.00 H new ATOM 0 HA MET A 21 4.628 35.578 -8.496 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.379 35.848 -11.541 1.00 0.00 H new ATOM 0 HB3 MET A 21 5.057 34.392 -10.839 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.366 35.574 -10.048 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.556 34.324 -11.262 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.903 31.992 -8.932 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.463 33.597 -9.562 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.291 32.425 -10.614 1.00 0.00 H new ATOM 312 N PHE A 22 7.043 35.048 -9.126 1.00 0.00 N ATOM 313 CA PHE A 22 8.518 34.995 -9.148 1.00 0.00 C ATOM 314 C PHE A 22 8.955 33.555 -9.404 1.00 0.00 C ATOM 315 O PHE A 22 8.186 32.640 -9.175 1.00 0.00 O ATOM 316 CB PHE A 22 9.034 35.442 -7.772 1.00 0.00 C ATOM 317 CG PHE A 22 8.210 36.644 -7.293 1.00 0.00 C ATOM 318 CD1 PHE A 22 8.498 37.918 -7.753 1.00 0.00 C ATOM 319 CD2 PHE A 22 7.163 36.473 -6.399 1.00 0.00 C ATOM 320 CE1 PHE A 22 7.753 39.000 -7.328 1.00 0.00 C ATOM 321 CE2 PHE A 22 6.422 37.559 -5.976 1.00 0.00 C ATOM 322 CZ PHE A 22 6.717 38.820 -6.441 1.00 0.00 C ATOM 0 H PHE A 22 6.586 34.200 -8.789 1.00 0.00 H new ATOM 0 HA PHE A 22 8.915 35.643 -9.929 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.955 34.623 -7.057 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.089 35.710 -7.835 1.00 0.00 H new ATOM 0 HD1 PHE A 22 9.311 38.066 -8.449 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.926 35.485 -6.032 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.984 39.990 -7.693 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.609 37.418 -5.279 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.136 39.668 -6.110 1.00 0.00 H new ATOM 332 N ARG A 23 10.172 33.367 -9.870 1.00 0.00 N ATOM 333 CA ARG A 23 10.640 31.968 -10.135 1.00 0.00 C ATOM 334 C ARG A 23 11.699 31.570 -9.144 1.00 0.00 C ATOM 335 O ARG A 23 12.613 32.337 -8.872 1.00 0.00 O ATOM 336 CB ARG A 23 11.248 31.901 -11.542 1.00 0.00 C ATOM 337 CG ARG A 23 11.306 30.445 -12.011 1.00 0.00 C ATOM 338 CD ARG A 23 11.807 30.411 -13.458 1.00 0.00 C ATOM 339 NE ARG A 23 13.294 30.312 -13.450 1.00 0.00 N ATOM 340 CZ ARG A 23 13.964 30.545 -14.548 1.00 0.00 C ATOM 341 NH1 ARG A 23 13.319 30.961 -15.604 1.00 0.00 N ATOM 342 NH2 ARG A 23 15.254 30.353 -14.553 1.00 0.00 N ATOM 0 H ARG A 23 10.846 34.105 -10.074 1.00 0.00 H new ATOM 0 HA ARG A 23 9.789 31.293 -10.047 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.650 32.493 -12.235 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.249 32.331 -11.537 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.971 29.868 -11.368 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.319 29.987 -11.943 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.375 29.561 -13.987 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.492 31.310 -13.988 1.00 0.00 H new ATOM 0 HE ARG A 23 13.787 30.064 -12.592 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.309 31.099 -15.563 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.825 31.148 -16.470 1.00 0.00 H new ATOM 0 HH21 ARG A 23 15.724 30.026 -13.709 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.793 30.530 -15.401 1.00 0.00 H new ATOM 356 N VAL A 24 11.575 30.369 -8.618 1.00 0.00 N ATOM 357 CA VAL A 24 12.564 29.907 -7.647 1.00 0.00 C ATOM 358 C VAL A 24 13.320 28.776 -8.258 1.00 0.00 C ATOM 359 O VAL A 24 12.736 27.879 -8.834 1.00 0.00 O ATOM 360 CB VAL A 24 11.844 29.456 -6.367 1.00 0.00 C ATOM 361 CG1 VAL A 24 11.012 28.223 -6.647 1.00 0.00 C ATOM 362 CG2 VAL A 24 12.879 29.126 -5.289 1.00 0.00 C ATOM 0 H VAL A 24 10.828 29.709 -8.832 1.00 0.00 H new ATOM 0 HA VAL A 24 13.258 30.706 -7.385 1.00 0.00 H new ATOM 0 HB VAL A 24 11.194 30.261 -6.024 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.505 27.911 -5.734 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.271 28.450 -7.413 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.660 27.419 -6.996 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.369 28.806 -4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.529 28.325 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.478 30.012 -5.076 1.00 0.00 H new ATOM 372 N GLU A 25 14.604 28.820 -8.133 1.00 0.00 N ATOM 373 CA GLU A 25 15.400 27.744 -8.720 1.00 0.00 C ATOM 374 C GLU A 25 15.689 26.629 -7.745 1.00 0.00 C ATOM 375 O GLU A 25 16.209 26.825 -6.662 1.00 0.00 O ATOM 376 CB GLU A 25 16.739 28.334 -9.182 1.00 0.00 C ATOM 377 CG GLU A 25 16.551 29.032 -10.529 1.00 0.00 C ATOM 378 CD GLU A 25 17.843 29.764 -10.901 1.00 0.00 C ATOM 379 OE1 GLU A 25 18.869 29.105 -10.869 1.00 0.00 O ATOM 380 OE2 GLU A 25 17.732 30.944 -11.195 1.00 0.00 O ATOM 0 H GLU A 25 15.129 29.551 -7.652 1.00 0.00 H new ATOM 0 HA GLU A 25 14.826 27.322 -9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 25 17.111 29.043 -8.442 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.485 27.544 -9.271 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.298 28.302 -11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.722 29.738 -10.474 1.00 0.00 H new ATOM 387 N LEU A 26 15.323 25.497 -8.180 1.00 0.00 N ATOM 388 CA LEU A 26 15.493 24.275 -7.446 1.00 0.00 C ATOM 389 C LEU A 26 16.516 23.542 -8.255 1.00 0.00 C ATOM 390 O LEU A 26 16.435 22.348 -8.459 1.00 0.00 O ATOM 391 CB LEU A 26 14.158 23.518 -7.383 1.00 0.00 C ATOM 392 CG LEU A 26 13.247 24.248 -6.407 1.00 0.00 C ATOM 393 CD1 LEU A 26 11.814 23.734 -6.563 1.00 0.00 C ATOM 394 CD2 LEU A 26 13.728 23.985 -4.979 1.00 0.00 C ATOM 0 H LEU A 26 14.878 25.368 -9.089 1.00 0.00 H new ATOM 0 HA LEU A 26 15.804 24.410 -6.410 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.699 23.472 -8.371 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.318 22.490 -7.058 1.00 0.00 H new ATOM 0 HG LEU A 26 13.272 25.318 -6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.162 24.257 -5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.472 23.914 -7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.786 22.665 -6.354 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.079 24.506 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.698 22.914 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.750 24.347 -4.867 1.00 0.00 H new ATOM 406 N GLU A 27 17.436 24.374 -8.798 1.00 0.00 N ATOM 407 CA GLU A 27 18.541 23.901 -9.649 1.00 0.00 C ATOM 408 C GLU A 27 19.091 22.591 -9.192 1.00 0.00 C ATOM 409 O GLU A 27 19.932 22.009 -9.851 1.00 0.00 O ATOM 410 CB GLU A 27 19.634 24.974 -9.582 1.00 0.00 C ATOM 411 CG GLU A 27 20.849 24.524 -10.365 1.00 0.00 C ATOM 412 CD GLU A 27 20.405 23.869 -11.674 1.00 0.00 C ATOM 413 OE1 GLU A 27 19.579 24.479 -12.330 1.00 0.00 O ATOM 414 OE2 GLU A 27 20.920 22.796 -11.945 1.00 0.00 O ATOM 0 H GLU A 27 17.429 25.384 -8.657 1.00 0.00 H new ATOM 0 HA GLU A 27 18.178 23.744 -10.665 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.258 25.914 -9.986 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.909 25.161 -8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.495 25.377 -10.575 1.00 0.00 H new ATOM 0 HG3 GLU A 27 21.434 23.819 -9.774 1.00 0.00 H new ATOM 421 N ASN A 28 18.636 22.132 -8.084 1.00 0.00 N ATOM 422 CA ASN A 28 19.127 20.857 -7.620 1.00 0.00 C ATOM 423 C ASN A 28 18.512 19.837 -8.590 1.00 0.00 C ATOM 424 O ASN A 28 18.312 18.682 -8.269 1.00 0.00 O ATOM 425 CB ASN A 28 18.608 20.593 -6.197 1.00 0.00 C ATOM 426 CG ASN A 28 19.608 21.147 -5.180 1.00 0.00 C ATOM 427 OD1 ASN A 28 20.608 21.738 -5.534 1.00 0.00 O ATOM 428 ND2 ASN A 28 19.372 20.979 -3.908 1.00 0.00 N ATOM 0 H ASN A 28 17.947 22.590 -7.488 1.00 0.00 H new ATOM 0 HA ASN A 28 20.216 20.809 -7.592 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.635 21.064 -6.060 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.469 19.523 -6.041 1.00 0.00 H new ATOM 0 HD21 ASN A 28 20.026 21.343 -3.215 1.00 0.00 H new ATOM 0 HD22 ASN A 28 18.533 20.483 -3.606 1.00 0.00 H new ATOM 435 N GLY A 29 18.222 20.346 -9.797 1.00 0.00 N ATOM 436 CA GLY A 29 17.620 19.529 -10.870 1.00 0.00 C ATOM 437 C GLY A 29 16.200 20.051 -11.252 1.00 0.00 C ATOM 438 O GLY A 29 15.687 19.680 -12.292 1.00 0.00 O ATOM 0 H GLY A 29 18.393 21.317 -10.057 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.265 19.547 -11.749 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.553 18.491 -10.545 1.00 0.00 H new ATOM 442 N HIS A 30 15.590 20.906 -10.407 1.00 0.00 N ATOM 443 CA HIS A 30 14.214 21.426 -10.752 1.00 0.00 C ATOM 444 C HIS A 30 14.108 22.978 -10.764 1.00 0.00 C ATOM 445 O HIS A 30 14.922 23.667 -10.213 1.00 0.00 O ATOM 446 CB HIS A 30 13.229 20.871 -9.708 1.00 0.00 C ATOM 447 CG HIS A 30 11.802 20.975 -10.252 1.00 0.00 C ATOM 448 ND1 HIS A 30 11.498 20.943 -11.460 1.00 0.00 N ATOM 449 CD2 HIS A 30 10.604 21.120 -9.574 1.00 0.00 C ATOM 450 CE1 HIS A 30 10.246 21.051 -11.629 1.00 0.00 C ATOM 451 NE2 HIS A 30 9.586 21.170 -10.476 1.00 0.00 N ATOM 0 H HIS A 30 15.982 21.246 -9.529 1.00 0.00 H new ATOM 0 HA HIS A 30 13.986 21.096 -11.765 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.469 19.832 -9.481 1.00 0.00 H new ATOM 0 HB3 HIS A 30 13.317 21.429 -8.776 1.00 0.00 H new ATOM 0 HD2 HIS A 30 10.495 21.183 -8.501 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.768 21.047 -12.597 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.584 21.272 -10.313 1.00 0.00 H new ATOM 459 N VAL A 31 13.141 23.466 -11.499 1.00 0.00 N ATOM 460 CA VAL A 31 12.902 24.950 -11.600 1.00 0.00 C ATOM 461 C VAL A 31 11.392 25.177 -11.368 1.00 0.00 C ATOM 462 O VAL A 31 10.602 24.412 -11.887 1.00 0.00 O ATOM 463 CB VAL A 31 13.286 25.412 -13.014 1.00 0.00 C ATOM 464 CG1 VAL A 31 12.126 25.147 -13.976 1.00 0.00 C ATOM 465 CG2 VAL A 31 13.588 26.915 -12.988 1.00 0.00 C ATOM 0 H VAL A 31 12.494 22.896 -12.044 1.00 0.00 H new ATOM 0 HA VAL A 31 13.492 25.507 -10.872 1.00 0.00 H new ATOM 0 HB VAL A 31 14.166 24.863 -13.349 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.402 25.476 -14.978 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.904 24.080 -13.993 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.245 25.696 -13.644 1.00 0.00 H new ATOM 0 HG21 VAL A 31 13.861 27.249 -13.989 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.704 27.458 -12.653 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.414 27.108 -12.303 1.00 0.00 H new ATOM 475 N VAL A 32 10.981 26.196 -10.614 1.00 0.00 N ATOM 476 CA VAL A 32 9.513 26.362 -10.423 1.00 0.00 C ATOM 477 C VAL A 32 9.121 27.797 -10.233 1.00 0.00 C ATOM 478 O VAL A 32 9.948 28.669 -10.061 1.00 0.00 O ATOM 479 CB VAL A 32 9.088 25.599 -9.185 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.608 25.299 -9.266 1.00 0.00 C ATOM 481 CG2 VAL A 32 9.850 24.275 -9.093 1.00 0.00 C ATOM 0 H VAL A 32 11.579 26.880 -10.150 1.00 0.00 H new ATOM 0 HA VAL A 32 9.024 25.985 -11.322 1.00 0.00 H new ATOM 0 HB VAL A 32 9.305 26.206 -8.306 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.299 24.750 -8.377 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.050 26.233 -9.328 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.407 24.697 -10.152 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.536 23.736 -8.199 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.637 23.671 -9.975 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.920 24.474 -9.039 1.00 0.00 H new ATOM 491 N THR A 33 7.842 27.996 -10.250 1.00 0.00 N ATOM 492 CA THR A 33 7.282 29.345 -10.077 1.00 0.00 C ATOM 493 C THR A 33 6.451 29.395 -8.818 1.00 0.00 C ATOM 494 O THR A 33 5.760 28.449 -8.499 1.00 0.00 O ATOM 495 CB THR A 33 6.390 29.637 -11.280 1.00 0.00 C ATOM 496 OG1 THR A 33 7.172 30.431 -12.142 1.00 0.00 O ATOM 497 CG2 THR A 33 5.204 30.535 -10.893 1.00 0.00 C ATOM 0 H THR A 33 7.148 27.260 -10.380 1.00 0.00 H new ATOM 0 HA THR A 33 8.083 30.080 -10.001 1.00 0.00 H new ATOM 0 HB THR A 33 6.029 28.698 -11.700 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.653 30.654 -12.943 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.588 30.724 -11.773 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.605 30.038 -10.131 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.577 31.481 -10.501 1.00 0.00 H new ATOM 505 N ALA A 34 6.523 30.485 -8.117 1.00 0.00 N ATOM 506 CA ALA A 34 5.729 30.578 -6.881 1.00 0.00 C ATOM 507 C ALA A 34 5.361 32.004 -6.575 1.00 0.00 C ATOM 508 O ALA A 34 5.806 32.921 -7.236 1.00 0.00 O ATOM 509 CB ALA A 34 6.566 30.028 -5.721 1.00 0.00 C ATOM 0 H ALA A 34 7.090 31.302 -8.346 1.00 0.00 H new ATOM 0 HA ALA A 34 4.812 30.004 -7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.992 30.090 -4.797 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.824 28.988 -5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.479 30.615 -5.621 1.00 0.00 H new ATOM 515 N HIS A 35 4.547 32.159 -5.571 1.00 0.00 N ATOM 516 CA HIS A 35 4.112 33.513 -5.170 1.00 0.00 C ATOM 517 C HIS A 35 4.475 33.741 -3.719 1.00 0.00 C ATOM 518 O HIS A 35 4.302 32.865 -2.892 1.00 0.00 O ATOM 519 CB HIS A 35 2.587 33.595 -5.325 1.00 0.00 C ATOM 520 CG HIS A 35 2.078 34.879 -4.671 1.00 0.00 C ATOM 521 ND1 HIS A 35 2.680 36.119 -4.573 1.00 0.00 N flip ATOM 522 CD2 HIS A 35 0.975 34.996 -4.101 1.00 0.00 C flip ATOM 523 CE1 HIS A 35 1.846 36.965 -3.907 1.00 0.00 C flip ATOM 524 NE2 HIS A 35 0.806 36.170 -3.654 1.00 0.00 N flip ATOM 0 H HIS A 35 4.165 31.398 -5.010 1.00 0.00 H new ATOM 0 HA HIS A 35 4.598 34.266 -5.790 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.317 33.580 -6.381 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.116 32.727 -4.863 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.255 34.198 -4.001 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.989 38.005 -3.651 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.032 36.473 -3.157 1.00 0.00 H new ATOM 532 N ILE A 36 4.976 34.897 -3.425 1.00 0.00 N ATOM 533 CA ILE A 36 5.350 35.173 -2.026 1.00 0.00 C ATOM 534 C ILE A 36 4.125 35.600 -1.215 1.00 0.00 C ATOM 535 O ILE A 36 3.302 36.364 -1.681 1.00 0.00 O ATOM 536 CB ILE A 36 6.420 36.283 -2.039 1.00 0.00 C ATOM 537 CG1 ILE A 36 7.654 35.827 -1.266 1.00 0.00 C ATOM 538 CG2 ILE A 36 5.874 37.569 -1.372 1.00 0.00 C ATOM 539 CD1 ILE A 36 8.854 36.676 -1.699 1.00 0.00 C ATOM 0 H ILE A 36 5.141 35.656 -4.086 1.00 0.00 H new ATOM 0 HA ILE A 36 5.749 34.275 -1.553 1.00 0.00 H new ATOM 0 HB ILE A 36 6.681 36.489 -3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.487 35.930 -0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.850 34.772 -1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.642 38.342 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.996 37.917 -1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.599 37.355 -0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.741 36.358 -1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.022 36.549 -2.768 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.653 37.726 -1.485 1.00 0.00 H new ATOM 551 N SER A 37 4.021 35.085 -0.021 1.00 0.00 N ATOM 552 CA SER A 37 2.864 35.446 0.828 1.00 0.00 C ATOM 553 C SER A 37 2.958 36.896 1.288 1.00 0.00 C ATOM 554 O SER A 37 4.020 37.371 1.636 1.00 0.00 O ATOM 555 CB SER A 37 2.865 34.534 2.064 1.00 0.00 C ATOM 556 OG SER A 37 2.826 33.220 1.525 1.00 0.00 O ATOM 0 H SER A 37 4.686 34.434 0.397 1.00 0.00 H new ATOM 0 HA SER A 37 1.948 35.323 0.250 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.756 34.689 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.004 34.728 2.703 1.00 0.00 H new ATOM 0 HG SER A 37 2.826 32.567 2.255 1.00 0.00 H new ATOM 562 N GLY A 38 1.844 37.574 1.277 1.00 0.00 N ATOM 563 CA GLY A 38 1.849 38.999 1.712 1.00 0.00 C ATOM 564 C GLY A 38 1.856 39.090 3.240 1.00 0.00 C ATOM 565 O GLY A 38 2.370 40.034 3.806 1.00 0.00 O ATOM 0 H GLY A 38 0.937 37.207 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.725 39.506 1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.972 39.510 1.315 1.00 0.00 H new ATOM 569 N LYS A 39 1.283 38.104 3.876 1.00 0.00 N ATOM 570 CA LYS A 39 1.248 38.117 5.357 1.00 0.00 C ATOM 571 C LYS A 39 2.660 38.163 5.931 1.00 0.00 C ATOM 572 O LYS A 39 3.013 39.079 6.650 1.00 0.00 O ATOM 573 CB LYS A 39 0.560 36.828 5.834 1.00 0.00 C ATOM 574 CG LYS A 39 -0.765 36.662 5.087 1.00 0.00 C ATOM 575 CD LYS A 39 -1.769 37.689 5.613 1.00 0.00 C ATOM 576 CE LYS A 39 -3.185 37.230 5.264 1.00 0.00 C ATOM 577 NZ LYS A 39 -4.182 38.256 5.678 1.00 0.00 N ATOM 0 H LYS A 39 0.842 37.298 3.433 1.00 0.00 H new ATOM 0 HA LYS A 39 0.706 39.000 5.695 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.205 35.968 5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.383 36.872 6.909 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.613 36.799 4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.152 35.653 5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.665 37.798 6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.572 38.667 5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.262 37.051 4.191 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.400 36.284 5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.139 37.929 5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.119 38.407 6.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.985 39.150 5.184 1.00 0.00 H new ATOM 591 N MET A 40 3.444 37.176 5.602 1.00 0.00 N ATOM 592 CA MET A 40 4.831 37.151 6.121 1.00 0.00 C ATOM 593 C MET A 40 5.602 38.368 5.634 1.00 0.00 C ATOM 594 O MET A 40 6.482 38.862 6.311 1.00 0.00 O ATOM 595 CB MET A 40 5.520 35.881 5.601 1.00 0.00 C ATOM 596 CG MET A 40 4.864 34.656 6.240 1.00 0.00 C ATOM 597 SD MET A 40 5.203 34.349 7.992 1.00 0.00 S ATOM 598 CE MET A 40 4.254 32.815 8.141 1.00 0.00 C ATOM 0 H MET A 40 3.184 36.394 5.001 1.00 0.00 H new ATOM 0 HA MET A 40 4.810 37.162 7.211 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.439 35.827 4.515 1.00 0.00 H new ATOM 0 HB3 MET A 40 6.583 35.906 5.840 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.785 34.749 6.117 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.174 33.776 5.677 1.00 0.00 H new ATOM 0 HE1 MET A 40 4.325 32.441 9.162 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.209 33.008 7.897 1.00 0.00 H new ATOM 0 HE3 MET A 40 4.655 32.071 7.453 1.00 0.00 H new ATOM 608 N ARG A 41 5.260 38.831 4.462 1.00 0.00 N ATOM 609 CA ARG A 41 5.959 40.010 3.916 1.00 0.00 C ATOM 610 C ARG A 41 5.402 41.292 4.520 1.00 0.00 C ATOM 611 O ARG A 41 6.057 42.314 4.526 1.00 0.00 O ATOM 612 CB ARG A 41 5.752 40.039 2.397 1.00 0.00 C ATOM 613 CG ARG A 41 6.928 39.333 1.722 1.00 0.00 C ATOM 614 CD ARG A 41 7.082 37.932 2.319 1.00 0.00 C ATOM 615 NE ARG A 41 8.048 37.987 3.454 1.00 0.00 N ATOM 616 CZ ARG A 41 8.231 36.927 4.192 1.00 0.00 C ATOM 617 NH1 ARG A 41 8.051 35.750 3.659 1.00 0.00 N ATOM 618 NH2 ARG A 41 8.586 37.078 5.440 1.00 0.00 N ATOM 0 H ARG A 41 4.529 38.440 3.868 1.00 0.00 H new ATOM 0 HA ARG A 41 7.019 39.943 4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.816 39.546 2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.679 41.068 2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.760 39.267 0.647 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.844 39.906 1.867 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.117 37.563 2.665 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.435 37.236 1.558 1.00 0.00 H new ATOM 0 HE ARG A 41 8.561 38.846 3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.772 35.670 2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.189 34.910 4.220 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.716 38.014 5.824 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.733 36.260 6.031 1.00 0.00 H new ATOM 632 N LYS A 42 4.195 41.218 5.013 1.00 0.00 N ATOM 633 CA LYS A 42 3.590 42.404 5.611 1.00 0.00 C ATOM 634 C LYS A 42 4.224 42.673 6.968 1.00 0.00 C ATOM 635 O LYS A 42 4.287 43.798 7.422 1.00 0.00 O ATOM 636 CB LYS A 42 2.090 42.120 5.786 1.00 0.00 C ATOM 637 CG LYS A 42 1.473 43.155 6.713 1.00 0.00 C ATOM 638 CD LYS A 42 1.615 44.545 6.087 1.00 0.00 C ATOM 639 CE LYS A 42 0.410 45.398 6.487 1.00 0.00 C ATOM 640 NZ LYS A 42 0.324 45.513 7.971 1.00 0.00 N ATOM 0 H LYS A 42 3.615 40.379 5.020 1.00 0.00 H new ATOM 0 HA LYS A 42 3.744 43.277 4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.591 42.143 4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.945 41.120 6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.421 42.926 6.883 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.966 43.129 7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.538 45.017 6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.675 44.465 5.002 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.495 46.390 6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.505 44.952 6.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.300 46.306 8.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.060 44.631 8.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.273 45.682 8.362 1.00 0.00 H new ATOM 654 N ASN A 43 4.686 41.623 7.594 1.00 0.00 N ATOM 655 CA ASN A 43 5.322 41.782 8.922 1.00 0.00 C ATOM 656 C ASN A 43 6.787 42.185 8.776 1.00 0.00 C ATOM 657 O ASN A 43 7.448 42.494 9.747 1.00 0.00 O ATOM 658 CB ASN A 43 5.252 40.434 9.655 1.00 0.00 C ATOM 659 CG ASN A 43 5.812 40.599 11.069 1.00 0.00 C ATOM 660 OD1 ASN A 43 6.917 40.187 11.364 1.00 0.00 O ATOM 661 ND2 ASN A 43 5.083 41.194 11.972 1.00 0.00 N ATOM 0 H ASN A 43 4.648 40.667 7.240 1.00 0.00 H new ATOM 0 HA ASN A 43 4.799 42.560 9.478 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.221 40.083 9.698 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.822 39.681 9.111 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.441 41.312 12.920 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.155 41.542 11.730 1.00 0.00 H new ATOM 668 N TYR A 44 7.268 42.176 7.561 1.00 0.00 N ATOM 669 CA TYR A 44 8.680 42.554 7.335 1.00 0.00 C ATOM 670 C TYR A 44 8.926 42.895 5.871 1.00 0.00 C ATOM 671 O TYR A 44 8.529 42.162 4.987 1.00 0.00 O ATOM 672 CB TYR A 44 9.567 41.361 7.721 1.00 0.00 C ATOM 673 CG TYR A 44 9.815 41.382 9.230 1.00 0.00 C ATOM 674 CD1 TYR A 44 10.411 42.475 9.829 1.00 0.00 C ATOM 675 CD2 TYR A 44 9.445 40.310 10.014 1.00 0.00 C ATOM 676 CE1 TYR A 44 10.633 42.493 11.190 1.00 0.00 C ATOM 677 CE2 TYR A 44 9.667 40.328 11.376 1.00 0.00 C ATOM 678 CZ TYR A 44 10.262 41.419 11.975 1.00 0.00 C ATOM 679 OH TYR A 44 10.484 41.436 13.335 1.00 0.00 O ATOM 0 H TYR A 44 6.742 41.924 6.724 1.00 0.00 H new ATOM 0 HA TYR A 44 8.914 43.431 7.939 1.00 0.00 H new ATOM 0 HB2 TYR A 44 9.085 40.427 7.433 1.00 0.00 H new ATOM 0 HB3 TYR A 44 10.515 41.409 7.185 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.705 43.322 9.227 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.978 39.449 9.559 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.101 43.353 11.645 1.00 0.00 H new ATOM 0 HE2 TYR A 44 9.372 39.481 11.978 1.00 0.00 H new ATOM 0 HH TYR A 44 10.160 40.600 13.730 1.00 0.00 H new ATOM 689 N ILE A 45 9.578 44.005 5.642 1.00 0.00 N ATOM 690 CA ILE A 45 9.861 44.418 4.244 1.00 0.00 C ATOM 691 C ILE A 45 10.282 43.223 3.397 1.00 0.00 C ATOM 692 O ILE A 45 10.820 42.258 3.903 1.00 0.00 O ATOM 693 CB ILE A 45 11.001 45.432 4.266 1.00 0.00 C ATOM 694 CG1 ILE A 45 10.678 46.538 5.260 1.00 0.00 C ATOM 695 CG2 ILE A 45 11.132 46.055 2.866 1.00 0.00 C ATOM 696 CD1 ILE A 45 9.252 47.035 5.011 1.00 0.00 C ATOM 0 H ILE A 45 9.924 44.639 6.363 1.00 0.00 H new ATOM 0 HA ILE A 45 8.959 44.849 3.810 1.00 0.00 H new ATOM 0 HB ILE A 45 11.928 44.936 4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.774 46.166 6.280 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.387 47.359 5.152 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.944 46.783 2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.346 45.272 2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.199 46.552 2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.014 47.828 5.720 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.174 47.421 3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.551 46.210 5.141 1.00 0.00 H new ATOM 708 N ARG A 46 10.028 43.310 2.120 1.00 0.00 N ATOM 709 CA ARG A 46 10.404 42.189 1.224 1.00 0.00 C ATOM 710 C ARG A 46 11.889 42.231 0.889 1.00 0.00 C ATOM 711 O ARG A 46 12.393 43.228 0.410 1.00 0.00 O ATOM 712 CB ARG A 46 9.599 42.324 -0.078 1.00 0.00 C ATOM 713 CG ARG A 46 8.147 42.666 0.263 1.00 0.00 C ATOM 714 CD ARG A 46 7.248 42.272 -0.912 1.00 0.00 C ATOM 715 NE ARG A 46 7.764 42.913 -2.153 1.00 0.00 N ATOM 716 CZ ARG A 46 7.143 42.715 -3.282 1.00 0.00 C ATOM 717 NH1 ARG A 46 5.976 42.129 -3.267 1.00 0.00 N ATOM 718 NH2 ARG A 46 7.709 43.106 -4.391 1.00 0.00 N ATOM 0 H ARG A 46 9.579 44.105 1.664 1.00 0.00 H new ATOM 0 HA ARG A 46 10.190 41.245 1.726 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.030 43.102 -0.708 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.643 41.394 -0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.839 42.138 1.165 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.051 43.732 0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.232 41.188 -1.027 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.222 42.588 -0.724 1.00 0.00 H new ATOM 0 HE ARG A 46 8.596 43.502 -2.120 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.565 41.834 -2.381 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.476 41.966 -4.141 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.623 43.558 -4.365 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.238 42.959 -5.284 1.00 0.00 H new ATOM 732 N ILE A 47 12.566 41.144 1.146 1.00 0.00 N ATOM 733 CA ILE A 47 14.017 41.104 0.848 1.00 0.00 C ATOM 734 C ILE A 47 14.257 41.108 -0.655 1.00 0.00 C ATOM 735 O ILE A 47 13.465 40.590 -1.417 1.00 0.00 O ATOM 736 CB ILE A 47 14.604 39.830 1.441 1.00 0.00 C ATOM 737 CG1 ILE A 47 14.628 39.939 2.961 1.00 0.00 C ATOM 738 CG2 ILE A 47 16.050 39.680 0.936 1.00 0.00 C ATOM 739 CD1 ILE A 47 14.950 38.569 3.560 1.00 0.00 C ATOM 0 H ILE A 47 12.176 40.291 1.546 1.00 0.00 H new ATOM 0 HA ILE A 47 14.493 41.984 1.281 1.00 0.00 H new ATOM 0 HB ILE A 47 14.001 38.972 1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.374 40.670 3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 47 13.664 40.292 3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 47 16.488 38.772 1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 47 16.051 39.619 -0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.637 40.543 1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 47 14.968 38.642 4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.187 37.851 3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.924 38.235 3.203 1.00 0.00 H new ATOM 751 N LEU A 48 15.349 41.694 -1.055 1.00 0.00 N ATOM 752 CA LEU A 48 15.663 41.747 -2.503 1.00 0.00 C ATOM 753 C LEU A 48 15.724 40.351 -3.130 1.00 0.00 C ATOM 754 O LEU A 48 15.577 39.348 -2.461 1.00 0.00 O ATOM 755 CB LEU A 48 17.026 42.441 -2.686 1.00 0.00 C ATOM 756 CG LEU A 48 18.036 41.871 -1.686 1.00 0.00 C ATOM 757 CD1 LEU A 48 18.550 40.524 -2.194 1.00 0.00 C ATOM 758 CD2 LEU A 48 19.211 42.840 -1.558 1.00 0.00 C ATOM 0 H LEU A 48 16.034 42.136 -0.442 1.00 0.00 H new ATOM 0 HA LEU A 48 14.868 42.301 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.386 42.294 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.920 43.516 -2.538 1.00 0.00 H new ATOM 0 HG LEU A 48 17.557 41.737 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 48 19.269 40.117 -1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.714 39.832 -2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 48 19.034 40.660 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 48 19.935 42.442 -0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 48 19.687 42.965 -2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 48 18.849 43.806 -1.205 1.00 0.00 H new ATOM 770 N THR A 49 15.941 40.336 -4.418 1.00 0.00 N ATOM 771 CA THR A 49 16.027 39.052 -5.170 1.00 0.00 C ATOM 772 C THR A 49 16.971 38.057 -4.524 1.00 0.00 C ATOM 773 O THR A 49 17.930 38.401 -3.869 1.00 0.00 O ATOM 774 CB THR A 49 16.535 39.379 -6.568 1.00 0.00 C ATOM 775 OG1 THR A 49 15.593 40.284 -7.110 1.00 0.00 O ATOM 776 CG2 THR A 49 16.459 38.156 -7.476 1.00 0.00 C ATOM 0 H THR A 49 16.064 41.172 -4.989 1.00 0.00 H new ATOM 0 HA THR A 49 15.040 38.591 -5.184 1.00 0.00 H new ATOM 0 HB THR A 49 17.559 39.747 -6.509 1.00 0.00 H new ATOM 0 HG1 THR A 49 15.866 40.537 -8.017 1.00 0.00 H new ATOM 0 HG21 THR A 49 16.827 38.416 -8.468 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.071 37.355 -7.060 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.424 37.821 -7.549 1.00 0.00 H new ATOM 784 N GLY A 50 16.643 36.840 -4.750 1.00 0.00 N ATOM 785 CA GLY A 50 17.412 35.698 -4.222 1.00 0.00 C ATOM 786 C GLY A 50 17.096 35.531 -2.772 1.00 0.00 C ATOM 787 O GLY A 50 17.851 35.917 -1.902 1.00 0.00 O ATOM 0 H GLY A 50 15.832 36.571 -5.307 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.161 34.789 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.480 35.868 -4.358 1.00 0.00 H new ATOM 791 N ASP A 51 15.965 34.946 -2.556 1.00 0.00 N ATOM 792 CA ASP A 51 15.506 34.692 -1.201 1.00 0.00 C ATOM 793 C ASP A 51 15.568 33.224 -0.959 1.00 0.00 C ATOM 794 O ASP A 51 14.882 32.491 -1.653 1.00 0.00 O ATOM 795 CB ASP A 51 14.048 35.160 -1.072 1.00 0.00 C ATOM 796 CG ASP A 51 14.015 36.682 -0.938 1.00 0.00 C ATOM 797 OD1 ASP A 51 14.791 37.171 -0.133 1.00 0.00 O ATOM 798 OD2 ASP A 51 13.216 37.270 -1.646 1.00 0.00 O ATOM 0 H ASP A 51 15.331 34.629 -3.289 1.00 0.00 H new ATOM 0 HA ASP A 51 16.127 35.224 -0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.475 34.848 -1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.581 34.697 -0.203 1.00 0.00 H new ATOM 803 N LYS A 52 16.334 32.762 -0.032 1.00 0.00 N ATOM 804 CA LYS A 52 16.317 31.313 0.130 1.00 0.00 C ATOM 805 C LYS A 52 15.019 31.026 0.844 1.00 0.00 C ATOM 806 O LYS A 52 14.855 31.419 1.983 1.00 0.00 O ATOM 807 CB LYS A 52 17.518 30.866 0.979 1.00 0.00 C ATOM 808 CG LYS A 52 18.758 30.811 0.087 1.00 0.00 C ATOM 809 CD LYS A 52 20.012 30.829 0.965 1.00 0.00 C ATOM 810 CE LYS A 52 20.227 29.439 1.574 1.00 0.00 C ATOM 811 NZ LYS A 52 19.459 29.300 2.844 1.00 0.00 N ATOM 0 H LYS A 52 16.941 33.297 0.590 1.00 0.00 H new ATOM 0 HA LYS A 52 16.387 30.781 -0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.677 31.561 1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.326 29.887 1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.741 29.909 -0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.766 31.660 -0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 52 20.880 31.117 0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.905 31.572 1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.912 28.673 0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 52 21.288 29.279 1.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 20.062 28.861 3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 19.155 30.239 3.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.623 28.703 2.681 1.00 0.00 H new ATOM 825 N VAL A 53 14.105 30.354 0.178 1.00 0.00 N ATOM 826 CA VAL A 53 12.795 30.065 0.854 1.00 0.00 C ATOM 827 C VAL A 53 12.334 28.647 0.735 1.00 0.00 C ATOM 828 O VAL A 53 13.000 27.807 0.162 1.00 0.00 O ATOM 829 CB VAL A 53 11.740 30.939 0.163 1.00 0.00 C ATOM 830 CG1 VAL A 53 12.144 32.414 0.270 1.00 0.00 C ATOM 831 CG2 VAL A 53 11.674 30.532 -1.318 1.00 0.00 C ATOM 0 H VAL A 53 14.203 30.003 -0.775 1.00 0.00 H new ATOM 0 HA VAL A 53 12.929 30.267 1.917 1.00 0.00 H new ATOM 0 HB VAL A 53 10.768 30.802 0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.394 33.033 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.216 32.696 1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 53 13.110 32.563 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.929 31.141 -1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.649 30.685 -1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.397 29.480 -1.394 1.00 0.00 H new ATOM 841 N ARG A 54 11.159 28.405 1.301 1.00 0.00 N ATOM 842 CA ARG A 54 10.597 27.044 1.248 1.00 0.00 C ATOM 843 C ARG A 54 9.527 26.988 0.185 1.00 0.00 C ATOM 844 O ARG A 54 8.521 27.666 0.280 1.00 0.00 O ATOM 845 CB ARG A 54 9.980 26.711 2.612 1.00 0.00 C ATOM 846 CG ARG A 54 10.988 25.888 3.420 1.00 0.00 C ATOM 847 CD ARG A 54 12.188 26.772 3.781 1.00 0.00 C ATOM 848 NE ARG A 54 11.922 27.450 5.083 1.00 0.00 N ATOM 849 CZ ARG A 54 12.181 26.821 6.199 1.00 0.00 C ATOM 850 NH1 ARG A 54 11.318 25.954 6.650 1.00 0.00 N ATOM 851 NH2 ARG A 54 13.296 27.083 6.827 1.00 0.00 N ATOM 0 H ARG A 54 10.588 29.097 1.786 1.00 0.00 H new ATOM 0 HA ARG A 54 11.381 26.325 1.011 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.726 27.627 3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.054 26.151 2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.519 25.504 4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.318 25.025 2.841 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.093 26.168 3.850 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.358 27.513 2.999 1.00 0.00 H new ATOM 0 HE ARG A 54 11.541 28.396 5.102 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.457 25.776 6.133 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.504 25.454 7.519 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.947 27.769 6.445 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.515 26.602 7.699 1.00 0.00 H new ATOM 865 N VAL A 55 9.756 26.181 -0.811 1.00 0.00 N ATOM 866 CA VAL A 55 8.769 26.065 -1.895 1.00 0.00 C ATOM 867 C VAL A 55 7.928 24.822 -1.747 1.00 0.00 C ATOM 868 O VAL A 55 8.444 23.746 -1.516 1.00 0.00 O ATOM 869 CB VAL A 55 9.523 25.958 -3.228 1.00 0.00 C ATOM 870 CG1 VAL A 55 8.657 26.545 -4.344 1.00 0.00 C ATOM 871 CG2 VAL A 55 10.836 26.739 -3.140 1.00 0.00 C ATOM 0 H VAL A 55 10.588 25.600 -0.913 1.00 0.00 H new ATOM 0 HA VAL A 55 8.120 26.940 -1.860 1.00 0.00 H new ATOM 0 HB VAL A 55 9.739 24.911 -3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.188 26.472 -5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.721 25.990 -4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.444 27.592 -4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.370 26.662 -4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.623 27.787 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.452 26.326 -2.342 1.00 0.00 H new ATOM 881 N GLU A 56 6.639 24.994 -1.888 1.00 0.00 N ATOM 882 CA GLU A 56 5.734 23.846 -1.767 1.00 0.00 C ATOM 883 C GLU A 56 5.226 23.504 -3.136 1.00 0.00 C ATOM 884 O GLU A 56 4.792 24.373 -3.867 1.00 0.00 O ATOM 885 CB GLU A 56 4.555 24.231 -0.861 1.00 0.00 C ATOM 886 CG GLU A 56 3.375 23.298 -1.142 1.00 0.00 C ATOM 887 CD GLU A 56 2.286 23.534 -0.091 1.00 0.00 C ATOM 888 OE1 GLU A 56 2.671 23.830 1.029 1.00 0.00 O ATOM 889 OE2 GLU A 56 1.133 23.405 -0.467 1.00 0.00 O ATOM 0 H GLU A 56 6.187 25.887 -2.082 1.00 0.00 H new ATOM 0 HA GLU A 56 6.254 22.990 -1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.848 24.160 0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.266 25.266 -1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.980 23.483 -2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.703 22.259 -1.116 1.00 0.00 H new ATOM 896 N LEU A 57 5.276 22.257 -3.467 1.00 0.00 N ATOM 897 CA LEU A 57 4.797 21.859 -4.795 1.00 0.00 C ATOM 898 C LEU A 57 3.350 21.450 -4.721 1.00 0.00 C ATOM 899 O LEU A 57 2.978 20.588 -3.943 1.00 0.00 O ATOM 900 CB LEU A 57 5.642 20.673 -5.276 1.00 0.00 C ATOM 901 CG LEU A 57 7.102 21.123 -5.417 1.00 0.00 C ATOM 902 CD1 LEU A 57 8.018 19.902 -5.310 1.00 0.00 C ATOM 903 CD2 LEU A 57 7.296 21.777 -6.786 1.00 0.00 C ATOM 0 H LEU A 57 5.626 21.502 -2.877 1.00 0.00 H new ATOM 0 HA LEU A 57 4.887 22.696 -5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.569 19.848 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.267 20.307 -6.232 1.00 0.00 H new ATOM 0 HG LEU A 57 7.345 21.836 -4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.057 20.217 -5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.875 19.424 -4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.776 19.195 -6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.332 22.099 -6.892 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.057 21.058 -7.570 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.637 22.641 -6.873 1.00 0.00 H new ATOM 915 N THR A 58 2.561 22.077 -5.550 1.00 0.00 N ATOM 916 CA THR A 58 1.113 21.777 -5.581 1.00 0.00 C ATOM 917 C THR A 58 0.867 20.349 -6.071 1.00 0.00 C ATOM 918 O THR A 58 1.711 19.763 -6.702 1.00 0.00 O ATOM 919 CB THR A 58 0.505 22.787 -6.562 1.00 0.00 C ATOM 920 OG1 THR A 58 1.157 22.550 -7.793 1.00 0.00 O ATOM 921 CG2 THR A 58 0.931 24.216 -6.168 1.00 0.00 C ATOM 0 H THR A 58 2.867 22.791 -6.212 1.00 0.00 H new ATOM 0 HA THR A 58 0.668 21.853 -4.589 1.00 0.00 H new ATOM 0 HB THR A 58 -0.581 22.691 -6.585 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.063 23.337 -8.370 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.497 24.931 -6.867 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.580 24.436 -5.160 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.018 24.293 -6.198 1.00 0.00 H new ATOM 929 N PRO A 59 -0.290 19.796 -5.738 1.00 0.00 N ATOM 930 CA PRO A 59 -0.619 18.445 -6.155 1.00 0.00 C ATOM 931 C PRO A 59 -0.207 18.212 -7.601 1.00 0.00 C ATOM 932 O PRO A 59 -0.040 17.089 -8.030 1.00 0.00 O ATOM 933 CB PRO A 59 -2.147 18.351 -5.983 1.00 0.00 C ATOM 934 CG PRO A 59 -2.574 19.574 -5.105 1.00 0.00 C ATOM 935 CD PRO A 59 -1.330 20.475 -4.951 1.00 0.00 C ATOM 0 HA PRO A 59 -0.096 17.687 -5.572 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.648 18.375 -6.951 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.426 17.413 -5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.390 20.121 -5.577 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.933 19.243 -4.131 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.519 21.481 -5.325 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.037 20.574 -3.906 1.00 0.00 H new ATOM 943 N TYR A 60 -0.053 19.286 -8.329 1.00 0.00 N ATOM 944 CA TYR A 60 0.352 19.152 -9.748 1.00 0.00 C ATOM 945 C TYR A 60 1.872 19.137 -9.818 1.00 0.00 C ATOM 946 O TYR A 60 2.465 18.460 -10.636 1.00 0.00 O ATOM 947 CB TYR A 60 -0.178 20.365 -10.527 1.00 0.00 C ATOM 948 CG TYR A 60 -1.493 20.837 -9.898 1.00 0.00 C ATOM 949 CD1 TYR A 60 -2.611 20.027 -9.918 1.00 0.00 C ATOM 950 CD2 TYR A 60 -1.581 22.082 -9.307 1.00 0.00 C ATOM 951 CE1 TYR A 60 -3.797 20.455 -9.356 1.00 0.00 C ATOM 952 CE2 TYR A 60 -2.768 22.509 -8.745 1.00 0.00 C ATOM 953 CZ TYR A 60 -3.884 21.699 -8.766 1.00 0.00 C ATOM 954 OH TYR A 60 -5.071 22.127 -8.205 1.00 0.00 O ATOM 0 H TYR A 60 -0.190 20.242 -8.000 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.050 18.233 -10.175 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.556 21.171 -10.511 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.336 20.099 -11.572 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.557 19.051 -10.377 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.715 22.727 -9.284 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.664 19.811 -9.378 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.823 23.485 -8.285 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.952 23.026 -7.834 1.00 0.00 H new ATOM 964 N ASP A 61 2.464 19.898 -8.938 1.00 0.00 N ATOM 965 CA ASP A 61 3.941 19.989 -8.878 1.00 0.00 C ATOM 966 C ASP A 61 4.578 19.982 -10.252 1.00 0.00 C ATOM 967 O ASP A 61 5.670 19.475 -10.419 1.00 0.00 O ATOM 968 CB ASP A 61 4.461 18.773 -8.098 1.00 0.00 C ATOM 969 CG ASP A 61 4.090 17.499 -8.856 1.00 0.00 C ATOM 970 OD1 ASP A 61 4.834 17.176 -9.765 1.00 0.00 O ATOM 971 OD2 ASP A 61 3.076 16.927 -8.490 1.00 0.00 O ATOM 0 H ASP A 61 1.973 20.468 -8.249 1.00 0.00 H new ATOM 0 HA ASP A 61 4.202 20.931 -8.395 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.542 18.838 -7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.029 18.755 -7.097 1.00 0.00 H new ATOM 976 N LEU A 62 3.908 20.532 -11.219 1.00 0.00 N ATOM 977 CA LEU A 62 4.519 20.534 -12.561 1.00 0.00 C ATOM 978 C LEU A 62 5.505 21.683 -12.675 1.00 0.00 C ATOM 979 O LEU A 62 6.694 21.475 -12.813 1.00 0.00 O ATOM 980 CB LEU A 62 3.415 20.736 -13.617 1.00 0.00 C ATOM 981 CG LEU A 62 2.069 20.906 -12.931 1.00 0.00 C ATOM 982 CD1 LEU A 62 1.960 22.327 -12.352 1.00 0.00 C ATOM 983 CD2 LEU A 62 0.972 20.699 -13.962 1.00 0.00 C ATOM 0 H LEU A 62 2.989 20.968 -11.140 1.00 0.00 H new ATOM 0 HA LEU A 62 5.034 19.587 -12.721 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.637 21.613 -14.225 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.384 19.880 -14.292 1.00 0.00 H new ATOM 0 HG LEU A 62 1.970 20.181 -12.123 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.994 22.447 -11.861 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.758 22.487 -11.627 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.050 23.056 -13.157 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.002 20.817 -13.486 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.078 21.435 -14.759 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.051 19.696 -14.381 1.00 0.00 H new ATOM 995 N SER A 63 4.981 22.877 -12.619 1.00 0.00 N ATOM 996 CA SER A 63 5.847 24.074 -12.717 1.00 0.00 C ATOM 997 C SER A 63 5.428 25.127 -11.705 1.00 0.00 C ATOM 998 O SER A 63 6.017 26.190 -11.652 1.00 0.00 O ATOM 999 CB SER A 63 5.707 24.662 -14.129 1.00 0.00 C ATOM 1000 OG SER A 63 6.492 23.804 -14.943 1.00 0.00 O ATOM 0 H SER A 63 3.986 23.070 -12.509 1.00 0.00 H new ATOM 0 HA SER A 63 6.878 23.784 -12.514 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.666 24.676 -14.453 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.068 25.690 -14.170 1.00 0.00 H new ATOM 0 HG SER A 63 6.455 24.111 -15.873 1.00 0.00 H new ATOM 1006 N LYS A 64 4.406 24.821 -10.921 1.00 0.00 N ATOM 1007 CA LYS A 64 3.940 25.814 -9.907 1.00 0.00 C ATOM 1008 C LYS A 64 4.060 25.329 -8.464 1.00 0.00 C ATOM 1009 O LYS A 64 3.919 24.149 -8.151 1.00 0.00 O ATOM 1010 CB LYS A 64 2.463 26.118 -10.188 1.00 0.00 C ATOM 1011 CG LYS A 64 2.339 26.771 -11.566 1.00 0.00 C ATOM 1012 CD LYS A 64 0.858 26.937 -11.907 1.00 0.00 C ATOM 1013 CE LYS A 64 0.286 28.107 -11.100 1.00 0.00 C ATOM 1014 NZ LYS A 64 -0.909 28.678 -11.780 1.00 0.00 N ATOM 0 H LYS A 64 3.890 23.942 -10.945 1.00 0.00 H new ATOM 0 HA LYS A 64 4.580 26.691 -10.000 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.877 25.200 -10.153 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.063 26.781 -9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.837 27.741 -11.569 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.832 26.157 -12.319 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.736 27.121 -12.974 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.314 26.021 -11.678 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.015 27.768 -10.100 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.046 28.879 -10.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.283 29.470 -11.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.640 29.020 -12.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.640 27.944 -11.872 1.00 0.00 H new ATOM 1028 N GLY A 65 4.288 26.282 -7.614 1.00 0.00 N ATOM 1029 CA GLY A 65 4.435 26.005 -6.172 1.00 0.00 C ATOM 1030 C GLY A 65 4.232 27.315 -5.436 1.00 0.00 C ATOM 1031 O GLY A 65 3.821 28.273 -6.028 1.00 0.00 O ATOM 0 H GLY A 65 4.380 27.265 -7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.704 25.265 -5.847 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.422 25.594 -5.959 1.00 0.00 H new ATOM 1035 N ARG A 66 4.454 27.319 -4.166 1.00 0.00 N ATOM 1036 CA ARG A 66 4.271 28.590 -3.403 1.00 0.00 C ATOM 1037 C ARG A 66 5.406 28.755 -2.404 1.00 0.00 C ATOM 1038 O ARG A 66 5.974 27.784 -1.959 1.00 0.00 O ATOM 1039 CB ARG A 66 2.932 28.535 -2.650 1.00 0.00 C ATOM 1040 CG ARG A 66 2.891 27.277 -1.794 1.00 0.00 C ATOM 1041 CD ARG A 66 1.525 27.173 -1.115 1.00 0.00 C ATOM 1042 NE ARG A 66 1.208 28.475 -0.466 1.00 0.00 N ATOM 1043 CZ ARG A 66 0.132 28.583 0.264 1.00 0.00 C ATOM 1044 NH1 ARG A 66 -0.041 27.758 1.261 1.00 0.00 N ATOM 1045 NH2 ARG A 66 -0.736 29.511 -0.028 1.00 0.00 N ATOM 0 H ARG A 66 4.752 26.513 -3.617 1.00 0.00 H new ATOM 0 HA ARG A 66 4.274 29.434 -4.093 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.817 29.420 -2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.103 28.535 -3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.071 26.397 -2.411 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.681 27.307 -1.044 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.758 26.921 -1.848 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.533 26.374 -0.373 1.00 0.00 H new ATOM 0 HE ARG A 66 1.827 29.276 -0.591 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.659 27.043 1.459 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.876 27.828 1.842 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.568 30.137 -0.816 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.583 29.611 0.531 1.00 0.00 H new ATOM 1059 N ILE A 67 5.706 29.984 -2.051 1.00 0.00 N ATOM 1060 CA ILE A 67 6.812 30.217 -1.077 1.00 0.00 C ATOM 1061 C ILE A 67 6.258 30.534 0.293 1.00 0.00 C ATOM 1062 O ILE A 67 5.281 31.245 0.417 1.00 0.00 O ATOM 1063 CB ILE A 67 7.614 31.415 -1.562 1.00 0.00 C ATOM 1064 CG1 ILE A 67 8.468 31.008 -2.752 1.00 0.00 C ATOM 1065 CG2 ILE A 67 8.538 31.888 -0.425 1.00 0.00 C ATOM 1066 CD1 ILE A 67 8.968 32.266 -3.468 1.00 0.00 C ATOM 0 H ILE A 67 5.237 30.823 -2.392 1.00 0.00 H new ATOM 0 HA ILE A 67 7.430 29.322 -1.008 1.00 0.00 H new ATOM 0 HB ILE A 67 6.935 32.215 -1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.313 30.405 -2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.887 30.392 -3.438 1.00 0.00 H new ATOM 0 HG21 ILE A 67 9.118 32.747 -0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.936 32.172 0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.214 31.080 -0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.581 31.979 -4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.116 32.851 -3.813 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.564 32.864 -2.779 1.00 0.00 H new ATOM 1078 N THR A 68 6.891 30.009 1.317 1.00 0.00 N ATOM 1079 CA THR A 68 6.401 30.282 2.637 1.00 0.00 C ATOM 1080 C THR A 68 7.456 29.972 3.669 1.00 0.00 C ATOM 1081 O THR A 68 7.542 28.874 4.170 1.00 0.00 O ATOM 1082 CB THR A 68 5.178 29.396 2.894 1.00 0.00 C ATOM 1083 OG1 THR A 68 4.960 29.455 4.288 1.00 0.00 O ATOM 1084 CG2 THR A 68 5.501 27.921 2.615 1.00 0.00 C ATOM 0 H THR A 68 7.716 29.412 1.262 1.00 0.00 H new ATOM 0 HA THR A 68 6.138 31.337 2.711 1.00 0.00 H new ATOM 0 HB THR A 68 4.346 29.728 2.273 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.183 28.905 4.521 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.617 27.313 2.805 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.804 27.805 1.574 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.312 27.596 3.267 1.00 0.00 H new ATOM 1092 N TYR A 69 8.240 30.974 3.887 1.00 0.00 N ATOM 1093 CA TYR A 69 9.388 30.962 4.883 1.00 0.00 C ATOM 1094 C TYR A 69 10.695 31.245 4.167 1.00 0.00 C ATOM 1095 O TYR A 69 11.317 30.359 3.623 1.00 0.00 O ATOM 1096 CB TYR A 69 9.479 29.609 5.645 1.00 0.00 C ATOM 1097 CG TYR A 69 10.515 29.683 6.802 1.00 0.00 C ATOM 1098 CD1 TYR A 69 11.262 30.833 7.059 1.00 0.00 C ATOM 1099 CD2 TYR A 69 10.689 28.588 7.628 1.00 0.00 C ATOM 1100 CE1 TYR A 69 12.151 30.866 8.114 1.00 0.00 C ATOM 1101 CE2 TYR A 69 11.580 28.631 8.679 1.00 0.00 C ATOM 1102 CZ TYR A 69 12.316 29.767 8.930 1.00 0.00 C ATOM 1103 OH TYR A 69 13.205 29.806 9.984 1.00 0.00 O ATOM 0 H TYR A 69 8.144 31.863 3.397 1.00 0.00 H new ATOM 0 HA TYR A 69 9.198 31.742 5.620 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.500 29.348 6.047 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.760 28.816 4.952 1.00 0.00 H new ATOM 0 HD1 TYR A 69 11.144 31.702 6.429 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.120 27.688 7.448 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.724 31.762 8.302 1.00 0.00 H new ATOM 0 HE2 TYR A 69 11.702 27.765 9.312 1.00 0.00 H new ATOM 0 HH TYR A 69 13.193 28.946 10.454 1.00 0.00 H new ATOM 1113 N ARG A 70 11.088 32.502 4.195 1.00 0.00 N ATOM 1114 CA ARG A 70 12.338 32.905 3.535 1.00 0.00 C ATOM 1115 C ARG A 70 13.483 32.958 4.524 1.00 0.00 C ATOM 1116 O ARG A 70 13.278 33.171 5.702 1.00 0.00 O ATOM 1117 CB ARG A 70 12.136 34.303 2.919 1.00 0.00 C ATOM 1118 CG ARG A 70 12.452 35.372 3.965 1.00 0.00 C ATOM 1119 CD ARG A 70 11.864 36.709 3.509 1.00 0.00 C ATOM 1120 NE ARG A 70 12.207 37.758 4.510 1.00 0.00 N ATOM 1121 CZ ARG A 70 11.607 37.758 5.667 1.00 0.00 C ATOM 1122 NH1 ARG A 70 12.099 37.031 6.632 1.00 0.00 N ATOM 1123 NH2 ARG A 70 10.534 38.485 5.821 1.00 0.00 N ATOM 0 H ARG A 70 10.580 33.258 4.655 1.00 0.00 H new ATOM 0 HA ARG A 70 12.585 32.173 2.766 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.783 34.426 2.051 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.109 34.413 2.570 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.035 35.088 4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.530 35.461 4.097 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.259 36.980 2.530 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.782 36.628 3.404 1.00 0.00 H new ATOM 0 HE ARG A 70 12.905 38.469 4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.940 36.475 6.474 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.643 37.018 7.544 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.178 39.041 5.043 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.051 38.497 6.719 1.00 0.00 H new ATOM 1137 N ALA A 71 14.671 32.758 4.025 1.00 0.00 N ATOM 1138 CA ALA A 71 15.846 32.790 4.907 1.00 0.00 C ATOM 1139 C ALA A 71 17.030 33.458 4.214 1.00 0.00 C ATOM 1140 O ALA A 71 17.107 33.498 2.994 1.00 0.00 O ATOM 1141 CB ALA A 71 16.214 31.346 5.256 1.00 0.00 C ATOM 0 H ALA A 71 14.868 32.574 3.041 1.00 0.00 H new ATOM 0 HA ALA A 71 15.611 33.363 5.804 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.085 31.341 5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 71 15.375 30.869 5.763 1.00 0.00 H new ATOM 0 HB3 ALA A 71 16.444 30.798 4.342 1.00 0.00 H new ATOM 1147 N ARG A 72 17.928 33.982 5.007 1.00 0.00 N ATOM 1148 CA ARG A 72 19.116 34.654 4.426 1.00 0.00 C ATOM 1149 C ARG A 72 20.214 33.644 4.116 1.00 0.00 C ATOM 1150 O ARG A 72 19.926 32.468 4.264 1.00 0.00 O ATOM 1151 CB ARG A 72 19.653 35.676 5.449 1.00 0.00 C ATOM 1152 CG ARG A 72 19.807 35.002 6.820 1.00 0.00 C ATOM 1153 CD ARG A 72 20.907 33.939 6.741 1.00 0.00 C ATOM 1154 NE ARG A 72 21.562 33.815 8.077 1.00 0.00 N ATOM 1155 CZ ARG A 72 20.824 33.685 9.146 1.00 0.00 C ATOM 1156 NH1 ARG A 72 20.326 34.754 9.704 1.00 0.00 N ATOM 1157 NH2 ARG A 72 20.611 32.489 9.623 1.00 0.00 N ATOM 1158 OXT ARG A 72 21.283 34.103 3.746 1.00 0.00 O ATOM 0 H ARG A 72 17.886 33.971 6.026 1.00 0.00 H new ATOM 0 HA ARG A 72 18.824 35.148 3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.614 36.068 5.116 1.00 0.00 H new ATOM 0 HB3 ARG A 72 18.971 36.523 5.524 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.057 35.745 7.577 1.00 0.00 H new ATOM 0 HG3 ARG A 72 18.864 34.545 7.121 1.00 0.00 H new ATOM 0 HD2 ARG A 72 20.483 32.981 6.439 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.643 34.214 5.985 1.00 0.00 H new ATOM 0 HE ARG A 72 22.579 33.832 8.154 1.00 0.00 H new ATOM 0 HH11 ARG A 72 20.515 35.673 9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 72 19.747 34.671 10.540 1.00 0.00 H new ATOM 0 HH21 ARG A 72 21.019 31.676 9.161 1.00 0.00 H new ATOM 0 HH22 ARG A 72 20.037 32.367 10.457 1.00 0.00 H new TER 1172 ARG A 72