USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 747 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 32 LYS NZ :NH3+ -174:sc= 0.0359 (180deg=0) USER MOD Set 1.2: A 33 TYR OH : rot 165:sc= 0.0358 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -0.0197 USER MOD Set 2.2: A 24 ASN : amide:sc= -0.0188 X(o=-0.038,f=-0.21) USER MOD Set 3.1: A 8 SER OG : rot 180:sc= 1.07 USER MOD Set 3.2: A 10 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 11 THR OG1 : rot 100:sc= 1.25 USER MOD Set 4.1: A 9 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00591) USER MOD Set 4.2: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= -0.0211 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= -0.258 USER MOD Single : A -5 SER OG : rot -57:sc= 0.00902 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.157 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0547 K(o=-0.055,f=-3.2!) USER MOD Single : A 27 TYR OH : rot 148:sc= 1.1 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -127:sc= -0.813 (180deg=-4.76!) USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= -0.01 (180deg=-0.341) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -84:sc= 0.295 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.117 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0526 USER MOD Single : A 65 GLN : amide:sc= -0.0122 K(o=-0.012,f=-2.6!) USER MOD Single : A 66 ASN : amide:sc= -0.751 K(o=-0.75,f=-4.1!) USER MOD Single : A 67 CYS SG : rot 90:sc= -0.034 USER MOD Single : A 68 THR OG1 : rot -90:sc= -0.224 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.0264 K(o=-0.026,f=-1) USER MOD Single : A 74 LYS NZ :NH3+ 155:sc= -0.12 (180deg=-0.617) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -167:sc=-0.000629 (180deg=-0.0603) USER MOD Single : A 84 SER OG : rot 180:sc= -0.204 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -12.103 0.928 22.235 1.00 0.00 N ATOM 2 CA GLY A -6 -11.535 -0.352 21.856 1.00 0.00 C ATOM 3 C GLY A -6 -10.569 -0.237 20.694 1.00 0.00 C ATOM 4 O GLY A -6 -10.896 -0.608 19.567 1.00 0.00 O ATOM 0 H1 GLY A -6 -12.756 0.795 23.033 1.00 0.00 H new ATOM 0 H2 GLY A -6 -11.340 1.577 22.516 1.00 0.00 H new ATOM 0 H3 GLY A -6 -12.620 1.331 21.428 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -11.018 -0.784 22.713 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -12.339 -1.038 21.589 1.00 0.00 H new ATOM 8 N SER A -5 -9.375 0.281 20.967 1.00 0.00 N ATOM 9 CA SER A -5 -8.360 0.449 19.934 1.00 0.00 C ATOM 10 C SER A -5 -8.900 1.278 18.773 1.00 0.00 C ATOM 11 O SER A -5 -8.649 0.971 17.607 1.00 0.00 O ATOM 12 CB SER A -5 -7.888 -0.914 19.427 1.00 0.00 C ATOM 13 OG SER A -5 -6.616 -0.816 18.809 1.00 0.00 O ATOM 0 H SER A -5 -9.087 0.591 21.895 1.00 0.00 H new ATOM 0 HA SER A -5 -7.514 0.978 20.373 1.00 0.00 H new ATOM 0 HB2 SER A -5 -7.839 -1.617 20.258 1.00 0.00 H new ATOM 0 HB3 SER A -5 -8.612 -1.311 18.715 1.00 0.00 H new ATOM 0 HG SER A -5 -6.655 -0.159 18.083 1.00 0.00 H new ATOM 19 N SER A -4 -9.642 2.331 19.100 1.00 0.00 N ATOM 20 CA SER A -4 -10.221 3.203 18.085 1.00 0.00 C ATOM 21 C SER A -4 -9.232 4.288 17.672 1.00 0.00 C ATOM 22 O SER A -4 -8.959 4.478 16.488 1.00 0.00 O ATOM 23 CB SER A -4 -11.509 3.843 18.606 1.00 0.00 C ATOM 24 OG SER A -4 -11.242 4.718 19.688 1.00 0.00 O ATOM 0 H SER A -4 -9.856 2.601 20.060 1.00 0.00 H new ATOM 0 HA SER A -4 -10.454 2.596 17.210 1.00 0.00 H new ATOM 0 HB2 SER A -4 -11.997 4.393 17.801 1.00 0.00 H new ATOM 0 HB3 SER A -4 -12.202 3.065 18.926 1.00 0.00 H new ATOM 0 HG SER A -4 -12.081 5.116 20.002 1.00 0.00 H new ATOM 30 N GLY A -3 -8.696 4.998 18.660 1.00 0.00 N ATOM 31 CA GLY A -3 -7.742 6.056 18.381 1.00 0.00 C ATOM 32 C GLY A -3 -7.042 6.551 19.632 1.00 0.00 C ATOM 33 O GLY A -3 -7.453 7.546 20.229 1.00 0.00 O ATOM 0 H GLY A -3 -8.905 4.860 19.649 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -6.998 5.693 17.672 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -8.258 6.889 17.903 1.00 0.00 H new ATOM 37 N SER A -2 -5.983 5.854 20.030 1.00 0.00 N ATOM 38 CA SER A -2 -5.228 6.225 21.221 1.00 0.00 C ATOM 39 C SER A -2 -3.931 6.935 20.843 1.00 0.00 C ATOM 40 O SER A -2 -3.144 6.430 20.042 1.00 0.00 O ATOM 41 CB SER A -2 -4.917 4.984 22.060 1.00 0.00 C ATOM 42 OG SER A -2 -3.915 5.258 23.024 1.00 0.00 O ATOM 0 H SER A -2 -5.628 5.029 19.545 1.00 0.00 H new ATOM 0 HA SER A -2 -5.839 6.910 21.810 1.00 0.00 H new ATOM 0 HB2 SER A -2 -5.823 4.643 22.560 1.00 0.00 H new ATOM 0 HB3 SER A -2 -4.588 4.174 21.409 1.00 0.00 H new ATOM 0 HG SER A -2 -3.736 4.450 23.548 1.00 0.00 H new ATOM 48 N SER A -1 -3.716 8.110 21.425 1.00 0.00 N ATOM 49 CA SER A -1 -2.518 8.893 21.147 1.00 0.00 C ATOM 50 C SER A -1 -1.457 8.661 22.219 1.00 0.00 C ATOM 51 O SER A -1 -0.801 9.598 22.672 1.00 0.00 O ATOM 52 CB SER A -1 -2.862 10.382 21.068 1.00 0.00 C ATOM 53 OG SER A -1 -3.178 10.901 22.348 1.00 0.00 O ATOM 0 H SER A -1 -4.356 8.541 22.092 1.00 0.00 H new ATOM 0 HA SER A -1 -2.117 8.569 20.187 1.00 0.00 H new ATOM 0 HB2 SER A -1 -2.020 10.931 20.647 1.00 0.00 H new ATOM 0 HB3 SER A -1 -3.706 10.528 20.394 1.00 0.00 H new ATOM 0 HG SER A -1 -3.392 11.854 22.271 1.00 0.00 H new ATOM 59 N GLY A 0 -1.295 7.404 22.620 1.00 0.00 N ATOM 60 CA GLY A 0 -0.313 7.070 23.635 1.00 0.00 C ATOM 61 C GLY A 0 1.068 6.844 23.054 1.00 0.00 C ATOM 62 O GLY A 0 1.381 7.336 21.970 1.00 0.00 O ATOM 0 H GLY A 0 -1.826 6.611 22.260 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -0.267 7.873 24.370 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -0.633 6.172 24.164 1.00 0.00 H new ATOM 66 N MET A 1 1.898 6.099 23.776 1.00 0.00 N ATOM 67 CA MET A 1 3.254 5.809 23.325 1.00 0.00 C ATOM 68 C MET A 1 3.259 5.365 21.866 1.00 0.00 C ATOM 69 O MET A 1 3.906 5.983 21.021 1.00 0.00 O ATOM 70 CB MET A 1 3.886 4.726 24.202 1.00 0.00 C ATOM 71 CG MET A 1 5.403 4.682 24.116 1.00 0.00 C ATOM 72 SD MET A 1 6.192 5.975 25.094 1.00 0.00 S ATOM 73 CE MET A 1 7.553 5.066 25.822 1.00 0.00 C ATOM 0 H MET A 1 1.655 5.685 24.676 1.00 0.00 H new ATOM 0 HA MET A 1 3.841 6.723 23.410 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.594 4.893 25.239 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.486 3.755 23.911 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.754 3.708 24.457 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.707 4.783 23.074 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.137 5.732 26.457 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.162 4.244 26.421 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.189 4.668 25.031 1.00 0.00 H new ATOM 83 N SER A 2 2.532 4.290 21.577 1.00 0.00 N ATOM 84 CA SER A 2 2.456 3.760 20.221 1.00 0.00 C ATOM 85 C SER A 2 1.849 4.788 19.270 1.00 0.00 C ATOM 86 O SER A 2 1.299 5.800 19.701 1.00 0.00 O ATOM 87 CB SER A 2 1.627 2.475 20.198 1.00 0.00 C ATOM 88 OG SER A 2 0.245 2.757 20.329 1.00 0.00 O ATOM 0 H SER A 2 1.987 3.769 22.264 1.00 0.00 H new ATOM 0 HA SER A 2 3.469 3.535 19.888 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.805 1.940 19.265 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.946 1.818 21.008 1.00 0.00 H new ATOM 0 HG SER A 2 -0.263 1.919 20.310 1.00 0.00 H new ATOM 94 N GLY A 3 1.954 4.518 17.972 1.00 0.00 N ATOM 95 CA GLY A 3 1.411 5.428 16.980 1.00 0.00 C ATOM 96 C GLY A 3 2.369 5.670 15.830 1.00 0.00 C ATOM 97 O GLY A 3 3.507 6.087 16.039 1.00 0.00 O ATOM 0 H GLY A 3 2.405 3.686 17.590 1.00 0.00 H new ATOM 0 HA2 GLY A 3 0.477 5.022 16.592 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.172 6.379 17.456 1.00 0.00 H new ATOM 101 N GLY A 4 1.907 5.407 14.611 1.00 0.00 N ATOM 102 CA GLY A 4 2.744 5.604 13.443 1.00 0.00 C ATOM 103 C GLY A 4 3.284 7.017 13.347 1.00 0.00 C ATOM 104 O GLY A 4 2.883 7.896 14.111 1.00 0.00 O ATOM 0 H GLY A 4 0.968 5.061 14.412 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.577 4.902 13.474 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.169 5.377 12.545 1.00 0.00 H new ATOM 108 N LEU A 5 4.199 7.237 12.409 1.00 0.00 N ATOM 109 CA LEU A 5 4.797 8.554 12.218 1.00 0.00 C ATOM 110 C LEU A 5 4.618 9.029 10.779 1.00 0.00 C ATOM 111 O LEU A 5 4.412 8.225 9.871 1.00 0.00 O ATOM 112 CB LEU A 5 6.284 8.517 12.574 1.00 0.00 C ATOM 113 CG LEU A 5 6.921 9.859 12.937 1.00 0.00 C ATOM 114 CD1 LEU A 5 6.659 10.196 14.396 1.00 0.00 C ATOM 115 CD2 LEU A 5 8.416 9.834 12.653 1.00 0.00 C ATOM 0 H LEU A 5 4.543 6.521 11.769 1.00 0.00 H new ATOM 0 HA LEU A 5 4.289 9.256 12.879 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.419 7.835 13.413 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.829 8.096 11.729 1.00 0.00 H new ATOM 0 HG LEU A 5 6.467 10.634 12.319 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.120 11.154 14.636 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.584 10.257 14.568 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.085 9.419 15.031 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.853 10.797 12.917 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.886 9.048 13.245 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.582 9.639 11.594 1.00 0.00 H new ATOM 127 N ALA A 6 4.702 10.340 10.580 1.00 0.00 N ATOM 128 CA ALA A 6 4.554 10.922 9.252 1.00 0.00 C ATOM 129 C ALA A 6 3.103 10.864 8.786 1.00 0.00 C ATOM 130 O ALA A 6 2.793 10.363 7.705 1.00 0.00 O ATOM 131 CB ALA A 6 5.459 10.207 8.259 1.00 0.00 C ATOM 0 H ALA A 6 4.872 11.019 11.322 1.00 0.00 H new ATOM 0 HA ALA A 6 4.849 11.970 9.306 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.338 10.652 7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.497 10.305 8.577 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.191 9.151 8.217 1.00 0.00 H new ATOM 137 N PRO A 7 2.192 11.387 9.619 1.00 0.00 N ATOM 138 CA PRO A 7 0.758 11.406 9.313 1.00 0.00 C ATOM 139 C PRO A 7 0.420 12.370 8.181 1.00 0.00 C ATOM 140 O PRO A 7 0.030 13.512 8.421 1.00 0.00 O ATOM 141 CB PRO A 7 0.122 11.876 10.624 1.00 0.00 C ATOM 142 CG PRO A 7 1.192 12.656 11.306 1.00 0.00 C ATOM 143 CD PRO A 7 2.490 12.000 10.924 1.00 0.00 C ATOM 0 HA PRO A 7 0.400 10.434 8.974 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.759 12.491 10.439 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.201 11.031 11.232 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.175 13.700 10.992 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.053 12.646 12.387 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.301 12.725 10.851 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.794 11.254 11.658 1.00 0.00 H new ATOM 151 N SER A 8 0.572 11.902 6.946 1.00 0.00 N ATOM 152 CA SER A 8 0.285 12.724 5.776 1.00 0.00 C ATOM 153 C SER A 8 -0.891 12.156 4.988 1.00 0.00 C ATOM 154 O SER A 8 -1.018 10.942 4.827 1.00 0.00 O ATOM 155 CB SER A 8 1.520 12.817 4.877 1.00 0.00 C ATOM 156 OG SER A 8 2.014 11.528 4.555 1.00 0.00 O ATOM 0 H SER A 8 0.892 10.958 6.730 1.00 0.00 H new ATOM 0 HA SER A 8 0.019 13.723 6.121 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.268 13.353 3.962 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.297 13.393 5.380 1.00 0.00 H new ATOM 0 HG SER A 8 2.802 11.614 3.979 1.00 0.00 H new ATOM 162 N LYS A 9 -1.750 13.044 4.498 1.00 0.00 N ATOM 163 CA LYS A 9 -2.916 12.634 3.725 1.00 0.00 C ATOM 164 C LYS A 9 -2.546 11.555 2.712 1.00 0.00 C ATOM 165 O LYS A 9 -3.114 10.463 2.719 1.00 0.00 O ATOM 166 CB LYS A 9 -3.524 13.839 3.003 1.00 0.00 C ATOM 167 CG LYS A 9 -5.025 13.730 2.797 1.00 0.00 C ATOM 168 CD LYS A 9 -5.790 14.097 4.058 1.00 0.00 C ATOM 169 CE LYS A 9 -5.867 15.605 4.244 1.00 0.00 C ATOM 170 NZ LYS A 9 -6.886 16.222 3.352 1.00 0.00 N ATOM 0 H LYS A 9 -1.660 14.052 4.623 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.652 12.222 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.309 14.741 3.575 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.040 13.953 2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.330 14.386 1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.279 12.713 2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.797 13.684 4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.304 13.647 4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.109 15.831 5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.891 16.046 4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.932 17.245 3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.624 16.057 2.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.816 15.795 3.540 1.00 0.00 H new ATOM 184 N SER A 10 -1.589 11.868 1.844 1.00 0.00 N ATOM 185 CA SER A 10 -1.145 10.926 0.823 1.00 0.00 C ATOM 186 C SER A 10 -1.049 9.514 1.393 1.00 0.00 C ATOM 187 O SER A 10 -1.656 8.578 0.871 1.00 0.00 O ATOM 188 CB SER A 10 0.211 11.354 0.259 1.00 0.00 C ATOM 189 OG SER A 10 1.110 11.698 1.299 1.00 0.00 O ATOM 0 H SER A 10 -1.106 12.766 1.827 1.00 0.00 H new ATOM 0 HA SER A 10 -1.881 10.926 0.019 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.632 10.545 -0.337 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.079 12.206 -0.408 1.00 0.00 H new ATOM 0 HG SER A 10 1.970 11.966 0.913 1.00 0.00 H new ATOM 195 N THR A 11 -0.280 9.367 2.468 1.00 0.00 N ATOM 196 CA THR A 11 -0.102 8.071 3.109 1.00 0.00 C ATOM 197 C THR A 11 -1.446 7.429 3.436 1.00 0.00 C ATOM 198 O THR A 11 -2.425 8.123 3.714 1.00 0.00 O ATOM 199 CB THR A 11 0.724 8.193 4.403 1.00 0.00 C ATOM 200 OG1 THR A 11 1.961 8.861 4.134 1.00 0.00 O ATOM 201 CG2 THR A 11 1.002 6.821 4.999 1.00 0.00 C ATOM 0 H THR A 11 0.229 10.131 2.913 1.00 0.00 H new ATOM 0 HA THR A 11 0.436 7.440 2.401 1.00 0.00 H new ATOM 0 HB THR A 11 0.147 8.774 5.122 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.887 9.803 4.394 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.587 6.933 5.912 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.058 6.327 5.230 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.560 6.219 4.282 1.00 0.00 H new ATOM 209 N VAL A 12 -1.487 6.101 3.402 1.00 0.00 N ATOM 210 CA VAL A 12 -2.711 5.366 3.697 1.00 0.00 C ATOM 211 C VAL A 12 -2.487 4.349 4.810 1.00 0.00 C ATOM 212 O VAL A 12 -1.731 3.391 4.646 1.00 0.00 O ATOM 213 CB VAL A 12 -3.242 4.636 2.448 1.00 0.00 C ATOM 214 CG1 VAL A 12 -4.488 3.833 2.789 1.00 0.00 C ATOM 215 CG2 VAL A 12 -3.526 5.630 1.332 1.00 0.00 C ATOM 0 H VAL A 12 -0.686 5.512 3.173 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.450 6.099 4.022 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.477 3.943 2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.849 3.324 1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.247 3.095 3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.262 4.503 3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.900 5.098 0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.274 6.349 1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.608 6.156 1.071 1.00 0.00 H new ATOM 225 N TYR A 13 -3.148 4.563 5.941 1.00 0.00 N ATOM 226 CA TYR A 13 -3.020 3.666 7.083 1.00 0.00 C ATOM 227 C TYR A 13 -3.799 2.375 6.852 1.00 0.00 C ATOM 228 O TYR A 13 -5.019 2.334 7.014 1.00 0.00 O ATOM 229 CB TYR A 13 -3.516 4.353 8.357 1.00 0.00 C ATOM 230 CG TYR A 13 -3.071 3.666 9.628 1.00 0.00 C ATOM 231 CD1 TYR A 13 -3.359 2.326 9.855 1.00 0.00 C ATOM 232 CD2 TYR A 13 -2.360 4.358 10.602 1.00 0.00 C ATOM 233 CE1 TYR A 13 -2.955 1.696 11.016 1.00 0.00 C ATOM 234 CE2 TYR A 13 -1.951 3.735 11.765 1.00 0.00 C ATOM 235 CZ TYR A 13 -2.250 2.404 11.967 1.00 0.00 C ATOM 236 OH TYR A 13 -1.844 1.779 13.124 1.00 0.00 O ATOM 0 H TYR A 13 -3.779 5.350 6.092 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.965 3.417 7.200 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.159 5.383 8.367 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.605 4.393 8.338 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.908 1.768 9.111 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.123 5.400 10.447 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.190 0.654 11.178 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.400 4.287 12.512 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.359 2.417 13.687 1.00 0.00 H new ATOM 246 N VAL A 14 -3.085 1.320 6.472 1.00 0.00 N ATOM 247 CA VAL A 14 -3.707 0.026 6.219 1.00 0.00 C ATOM 248 C VAL A 14 -3.368 -0.971 7.322 1.00 0.00 C ATOM 249 O VAL A 14 -2.264 -0.959 7.867 1.00 0.00 O ATOM 250 CB VAL A 14 -3.263 -0.555 4.863 1.00 0.00 C ATOM 251 CG1 VAL A 14 -4.168 -1.707 4.454 1.00 0.00 C ATOM 252 CG2 VAL A 14 -3.252 0.530 3.797 1.00 0.00 C ATOM 0 H VAL A 14 -2.075 1.336 6.333 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.784 0.191 6.200 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.249 -0.941 4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.839 -2.105 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.120 -2.493 5.208 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.194 -1.350 4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.936 0.102 2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.253 0.947 3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.559 1.319 4.088 1.00 0.00 H new ATOM 262 N SER A 15 -4.326 -1.834 7.646 1.00 0.00 N ATOM 263 CA SER A 15 -4.131 -2.837 8.687 1.00 0.00 C ATOM 264 C SER A 15 -4.665 -4.194 8.240 1.00 0.00 C ATOM 265 O SER A 15 -5.394 -4.292 7.254 1.00 0.00 O ATOM 266 CB SER A 15 -4.825 -2.403 9.979 1.00 0.00 C ATOM 267 OG SER A 15 -4.152 -1.308 10.577 1.00 0.00 O ATOM 0 H SER A 15 -5.244 -1.859 7.203 1.00 0.00 H new ATOM 0 HA SER A 15 -3.061 -2.930 8.872 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.858 -2.127 9.766 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.857 -3.240 10.677 1.00 0.00 H new ATOM 0 HG SER A 15 -4.616 -1.049 11.400 1.00 0.00 H new ATOM 273 N ASN A 16 -4.296 -5.239 8.974 1.00 0.00 N ATOM 274 CA ASN A 16 -4.738 -6.592 8.655 1.00 0.00 C ATOM 275 C ASN A 16 -4.207 -7.029 7.293 1.00 0.00 C ATOM 276 O ASN A 16 -4.901 -7.705 6.532 1.00 0.00 O ATOM 277 CB ASN A 16 -6.266 -6.669 8.668 1.00 0.00 C ATOM 278 CG ASN A 16 -6.813 -7.053 10.029 1.00 0.00 C ATOM 279 OD1 ASN A 16 -6.861 -6.233 10.946 1.00 0.00 O ATOM 280 ND2 ASN A 16 -7.229 -8.307 10.167 1.00 0.00 N ATOM 0 H ASN A 16 -3.692 -5.175 9.794 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.341 -7.266 9.414 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.678 -5.704 8.373 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.597 -7.397 7.928 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.607 -8.624 11.060 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.171 -8.953 9.380 1.00 0.00 H new ATOM 287 N LEU A 17 -2.973 -6.640 6.992 1.00 0.00 N ATOM 288 CA LEU A 17 -2.348 -6.992 5.721 1.00 0.00 C ATOM 289 C LEU A 17 -1.554 -8.288 5.846 1.00 0.00 C ATOM 290 O LEU A 17 -0.930 -8.567 6.870 1.00 0.00 O ATOM 291 CB LEU A 17 -1.431 -5.862 5.251 1.00 0.00 C ATOM 292 CG LEU A 17 -2.128 -4.614 4.708 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.168 -3.435 4.683 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.687 -4.878 3.317 1.00 0.00 C ATOM 0 H LEU A 17 -2.385 -6.081 7.610 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.138 -7.141 4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.796 -5.565 6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.774 -6.254 4.475 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.957 -4.367 5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.681 -2.556 4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.816 -3.231 5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.318 -3.672 4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.180 -3.979 2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.874 -5.150 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.408 -5.694 3.364 1.00 0.00 H new ATOM 306 N PRO A 18 -1.575 -9.100 4.779 1.00 0.00 N ATOM 307 CA PRO A 18 -0.860 -10.379 4.743 1.00 0.00 C ATOM 308 C PRO A 18 0.654 -10.196 4.698 1.00 0.00 C ATOM 309 O PRO A 18 1.269 -10.291 3.635 1.00 0.00 O ATOM 310 CB PRO A 18 -1.359 -11.029 3.450 1.00 0.00 C ATOM 311 CG PRO A 18 -1.775 -9.887 2.589 1.00 0.00 C ATOM 312 CD PRO A 18 -2.298 -8.832 3.524 1.00 0.00 C ATOM 0 HA PRO A 18 -1.048 -10.976 5.636 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.575 -11.618 2.975 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.193 -11.704 3.642 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.934 -9.510 2.007 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.542 -10.194 1.878 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.096 -7.828 3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.377 -8.912 3.657 1.00 0.00 H new ATOM 320 N PHE A 19 1.249 -9.934 5.856 1.00 0.00 N ATOM 321 CA PHE A 19 2.691 -9.737 5.948 1.00 0.00 C ATOM 322 C PHE A 19 3.433 -10.730 5.059 1.00 0.00 C ATOM 323 O PHE A 19 4.530 -10.449 4.577 1.00 0.00 O ATOM 324 CB PHE A 19 3.156 -9.886 7.398 1.00 0.00 C ATOM 325 CG PHE A 19 2.471 -11.000 8.136 1.00 0.00 C ATOM 326 CD1 PHE A 19 1.257 -10.786 8.770 1.00 0.00 C ATOM 327 CD2 PHE A 19 3.039 -12.262 8.195 1.00 0.00 C ATOM 328 CE1 PHE A 19 0.625 -11.810 9.451 1.00 0.00 C ATOM 329 CE2 PHE A 19 2.412 -13.290 8.873 1.00 0.00 C ATOM 330 CZ PHE A 19 1.203 -13.064 9.501 1.00 0.00 C ATOM 0 H PHE A 19 0.755 -9.853 6.745 1.00 0.00 H new ATOM 0 HA PHE A 19 2.918 -8.728 5.603 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.232 -10.061 7.410 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.979 -8.949 7.926 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.800 -9.808 8.732 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.984 -12.445 7.705 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.319 -11.630 9.943 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.867 -14.269 8.912 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.710 -13.866 10.030 1.00 0.00 H new ATOM 340 N SER A 20 2.826 -11.894 4.848 1.00 0.00 N ATOM 341 CA SER A 20 3.430 -12.932 4.021 1.00 0.00 C ATOM 342 C SER A 20 4.085 -12.327 2.783 1.00 0.00 C ATOM 343 O SER A 20 5.209 -12.682 2.425 1.00 0.00 O ATOM 344 CB SER A 20 2.377 -13.959 3.604 1.00 0.00 C ATOM 345 OG SER A 20 1.956 -14.737 4.712 1.00 0.00 O ATOM 0 H SER A 20 1.917 -12.142 5.238 1.00 0.00 H new ATOM 0 HA SER A 20 4.199 -13.430 4.611 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.519 -13.448 3.168 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.786 -14.611 2.832 1.00 0.00 H new ATOM 0 HG SER A 20 1.281 -15.385 4.419 1.00 0.00 H new ATOM 351 N LEU A 21 3.375 -11.412 2.133 1.00 0.00 N ATOM 352 CA LEU A 21 3.885 -10.757 0.934 1.00 0.00 C ATOM 353 C LEU A 21 5.119 -9.919 1.254 1.00 0.00 C ATOM 354 O LEU A 21 5.616 -9.931 2.381 1.00 0.00 O ATOM 355 CB LEU A 21 2.803 -9.874 0.311 1.00 0.00 C ATOM 356 CG LEU A 21 1.388 -10.455 0.297 1.00 0.00 C ATOM 357 CD1 LEU A 21 0.430 -9.510 -0.411 1.00 0.00 C ATOM 358 CD2 LEU A 21 1.381 -11.823 -0.369 1.00 0.00 C ATOM 0 H LEU A 21 2.444 -11.107 2.416 1.00 0.00 H new ATOM 0 HA LEU A 21 4.169 -11.531 0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.780 -8.927 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.092 -9.649 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 21 1.053 -10.573 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.572 -9.940 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.414 -8.552 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.760 -9.360 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.367 -12.222 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.736 -11.730 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.036 -12.499 0.181 1.00 0.00 H new ATOM 370 N THR A 22 5.608 -9.189 0.257 1.00 0.00 N ATOM 371 CA THR A 22 6.783 -8.344 0.432 1.00 0.00 C ATOM 372 C THR A 22 6.523 -6.930 -0.073 1.00 0.00 C ATOM 373 O THR A 22 5.648 -6.710 -0.910 1.00 0.00 O ATOM 374 CB THR A 22 8.006 -8.923 -0.303 1.00 0.00 C ATOM 375 OG1 THR A 22 9.167 -8.135 -0.017 1.00 0.00 O ATOM 376 CG2 THR A 22 7.768 -8.959 -1.805 1.00 0.00 C ATOM 0 H THR A 22 5.208 -9.166 -0.681 1.00 0.00 H new ATOM 0 HA THR A 22 6.993 -8.312 1.501 1.00 0.00 H new ATOM 0 HB THR A 22 8.164 -9.943 0.048 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.941 -8.510 -0.487 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.646 -9.372 -2.303 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.901 -9.583 -2.021 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.587 -7.948 -2.169 1.00 0.00 H new ATOM 384 N ASN A 23 7.289 -5.973 0.441 1.00 0.00 N ATOM 385 CA ASN A 23 7.141 -4.578 0.041 1.00 0.00 C ATOM 386 C ASN A 23 6.755 -4.472 -1.431 1.00 0.00 C ATOM 387 O ASN A 23 5.867 -3.704 -1.797 1.00 0.00 O ATOM 388 CB ASN A 23 8.441 -3.812 0.295 1.00 0.00 C ATOM 389 CG ASN A 23 8.747 -3.668 1.774 1.00 0.00 C ATOM 390 OD1 ASN A 23 8.148 -4.343 2.612 1.00 0.00 O ATOM 391 ND2 ASN A 23 9.684 -2.786 2.100 1.00 0.00 N ATOM 0 H ASN A 23 8.018 -6.138 1.135 1.00 0.00 H new ATOM 0 HA ASN A 23 6.344 -4.137 0.640 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.266 -4.329 -0.195 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.371 -2.823 -0.157 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.934 -2.646 3.079 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.154 -2.249 1.372 1.00 0.00 H new ATOM 398 N ASN A 24 7.429 -5.251 -2.271 1.00 0.00 N ATOM 399 CA ASN A 24 7.157 -5.245 -3.704 1.00 0.00 C ATOM 400 C ASN A 24 5.695 -5.582 -3.982 1.00 0.00 C ATOM 401 O ASN A 24 5.023 -4.893 -4.749 1.00 0.00 O ATOM 402 CB ASN A 24 8.067 -6.244 -4.421 1.00 0.00 C ATOM 403 CG ASN A 24 9.538 -5.932 -4.223 1.00 0.00 C ATOM 404 OD1 ASN A 24 10.155 -6.381 -3.257 1.00 0.00 O ATOM 405 ND2 ASN A 24 10.107 -5.158 -5.139 1.00 0.00 N ATOM 0 H ASN A 24 8.167 -5.894 -1.984 1.00 0.00 H new ATOM 0 HA ASN A 24 7.359 -4.243 -4.082 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.859 -7.249 -4.054 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.838 -6.240 -5.487 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.094 -4.913 -5.058 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.557 -4.808 -5.924 1.00 0.00 H new ATOM 412 N ASP A 25 5.209 -6.646 -3.352 1.00 0.00 N ATOM 413 CA ASP A 25 3.827 -7.074 -3.529 1.00 0.00 C ATOM 414 C ASP A 25 2.860 -5.940 -3.202 1.00 0.00 C ATOM 415 O ASP A 25 2.097 -5.494 -4.060 1.00 0.00 O ATOM 416 CB ASP A 25 3.528 -8.286 -2.644 1.00 0.00 C ATOM 417 CG ASP A 25 4.268 -9.529 -3.096 1.00 0.00 C ATOM 418 OD1 ASP A 25 4.649 -9.594 -4.283 1.00 0.00 O ATOM 419 OD2 ASP A 25 4.465 -10.439 -2.263 1.00 0.00 O ATOM 0 H ASP A 25 5.752 -7.228 -2.714 1.00 0.00 H new ATOM 0 HA ASP A 25 3.691 -7.354 -4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.803 -8.057 -1.614 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.456 -8.482 -2.651 1.00 0.00 H new ATOM 424 N LEU A 26 2.897 -5.478 -1.957 1.00 0.00 N ATOM 425 CA LEU A 26 2.024 -4.396 -1.516 1.00 0.00 C ATOM 426 C LEU A 26 2.020 -3.254 -2.527 1.00 0.00 C ATOM 427 O LEU A 26 0.961 -2.776 -2.935 1.00 0.00 O ATOM 428 CB LEU A 26 2.471 -3.879 -0.147 1.00 0.00 C ATOM 429 CG LEU A 26 2.294 -4.845 1.025 1.00 0.00 C ATOM 430 CD1 LEU A 26 3.009 -4.321 2.261 1.00 0.00 C ATOM 431 CD2 LEU A 26 0.817 -5.067 1.315 1.00 0.00 C ATOM 0 H LEU A 26 3.522 -5.836 -1.235 1.00 0.00 H new ATOM 0 HA LEU A 26 1.011 -4.789 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.524 -3.605 -0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.917 -2.966 0.073 1.00 0.00 H new ATOM 0 HG LEU A 26 2.738 -5.802 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.872 -5.021 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.073 -4.214 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.595 -3.351 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.710 -5.757 2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.349 -4.116 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.332 -5.488 0.434 1.00 0.00 H new ATOM 443 N TYR A 27 3.210 -2.822 -2.929 1.00 0.00 N ATOM 444 CA TYR A 27 3.344 -1.735 -3.892 1.00 0.00 C ATOM 445 C TYR A 27 2.314 -1.868 -5.009 1.00 0.00 C ATOM 446 O TYR A 27 1.549 -0.941 -5.277 1.00 0.00 O ATOM 447 CB TYR A 27 4.755 -1.720 -4.483 1.00 0.00 C ATOM 448 CG TYR A 27 4.982 -0.606 -5.479 1.00 0.00 C ATOM 449 CD1 TYR A 27 4.556 -0.728 -6.796 1.00 0.00 C ATOM 450 CD2 TYR A 27 5.623 0.568 -5.104 1.00 0.00 C ATOM 451 CE1 TYR A 27 4.762 0.287 -7.711 1.00 0.00 C ATOM 452 CE2 TYR A 27 5.832 1.589 -6.012 1.00 0.00 C ATOM 453 CZ TYR A 27 5.400 1.443 -7.313 1.00 0.00 C ATOM 454 OH TYR A 27 5.608 2.457 -8.220 1.00 0.00 O ATOM 0 H TYR A 27 4.096 -3.208 -2.603 1.00 0.00 H new ATOM 0 HA TYR A 27 3.167 -0.795 -3.369 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.478 -1.625 -3.673 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.946 -2.676 -4.970 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.055 -1.632 -7.110 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.964 0.685 -4.086 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.426 0.176 -8.731 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.331 2.496 -5.704 1.00 0.00 H new ATOM 0 HH TYR A 27 5.572 3.321 -7.759 1.00 0.00 H new ATOM 464 N ARG A 28 2.300 -3.028 -5.658 1.00 0.00 N ATOM 465 CA ARG A 28 1.365 -3.284 -6.746 1.00 0.00 C ATOM 466 C ARG A 28 -0.063 -3.399 -6.221 1.00 0.00 C ATOM 467 O ARG A 28 -0.958 -2.679 -6.666 1.00 0.00 O ATOM 468 CB ARG A 28 1.751 -4.564 -7.489 1.00 0.00 C ATOM 469 CG ARG A 28 3.150 -4.526 -8.081 1.00 0.00 C ATOM 470 CD ARG A 28 3.570 -5.890 -8.607 1.00 0.00 C ATOM 471 NE ARG A 28 3.535 -6.913 -7.566 1.00 0.00 N ATOM 472 CZ ARG A 28 3.850 -8.186 -7.775 1.00 0.00 C ATOM 473 NH1 ARG A 28 4.222 -8.591 -8.982 1.00 0.00 N ATOM 474 NH2 ARG A 28 3.794 -9.058 -6.776 1.00 0.00 N ATOM 0 H ARG A 28 2.926 -3.805 -5.449 1.00 0.00 H new ATOM 0 HA ARG A 28 1.413 -2.442 -7.437 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.679 -5.408 -6.803 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.032 -4.741 -8.289 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.184 -3.797 -8.890 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.858 -4.194 -7.322 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.911 -6.182 -9.424 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.578 -5.825 -9.018 1.00 0.00 H new ATOM 0 HE ARG A 28 3.253 -6.635 -6.626 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.267 -7.924 -9.752 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.463 -9.569 -9.140 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.509 -8.751 -5.846 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.036 -10.035 -6.938 1.00 0.00 H new ATOM 488 N ILE A 29 -0.268 -4.308 -5.274 1.00 0.00 N ATOM 489 CA ILE A 29 -1.587 -4.516 -4.689 1.00 0.00 C ATOM 490 C ILE A 29 -2.327 -3.194 -4.517 1.00 0.00 C ATOM 491 O ILE A 29 -3.513 -3.089 -4.830 1.00 0.00 O ATOM 492 CB ILE A 29 -1.491 -5.220 -3.322 1.00 0.00 C ATOM 493 CG1 ILE A 29 -0.826 -6.589 -3.475 1.00 0.00 C ATOM 494 CG2 ILE A 29 -2.873 -5.362 -2.702 1.00 0.00 C ATOM 495 CD1 ILE A 29 -0.262 -7.134 -2.181 1.00 0.00 C ATOM 0 H ILE A 29 0.462 -4.912 -4.896 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.142 -5.152 -5.378 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.877 -4.611 -2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.555 -7.296 -3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.024 -6.514 -4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.789 -5.861 -1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.313 -4.374 -2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.509 -5.952 -3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.194 -8.107 -2.364 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.491 -6.447 -1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.064 -7.241 -1.451 1.00 0.00 H new ATOM 507 N PHE A 30 -1.619 -2.186 -4.018 1.00 0.00 N ATOM 508 CA PHE A 30 -2.208 -0.870 -3.805 1.00 0.00 C ATOM 509 C PHE A 30 -2.210 -0.059 -5.097 1.00 0.00 C ATOM 510 O PHE A 30 -3.085 0.779 -5.316 1.00 0.00 O ATOM 511 CB PHE A 30 -1.441 -0.115 -2.717 1.00 0.00 C ATOM 512 CG PHE A 30 -1.753 -0.587 -1.326 1.00 0.00 C ATOM 513 CD1 PHE A 30 -2.912 -0.178 -0.685 1.00 0.00 C ATOM 514 CD2 PHE A 30 -0.889 -1.439 -0.659 1.00 0.00 C ATOM 515 CE1 PHE A 30 -3.201 -0.610 0.595 1.00 0.00 C ATOM 516 CE2 PHE A 30 -1.173 -1.875 0.622 1.00 0.00 C ATOM 517 CZ PHE A 30 -2.332 -1.461 1.249 1.00 0.00 C ATOM 0 H PHE A 30 -0.636 -2.256 -3.754 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.240 -1.009 -3.483 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.371 -0.222 -2.897 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.672 0.948 -2.792 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.597 0.486 -1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.018 -1.767 -1.145 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.106 -0.282 1.084 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.490 -2.538 1.132 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.558 -1.802 2.248 1.00 0.00 H new ATOM 527 N SER A 31 -1.224 -0.315 -5.951 1.00 0.00 N ATOM 528 CA SER A 31 -1.108 0.393 -7.220 1.00 0.00 C ATOM 529 C SER A 31 -2.417 0.326 -8.001 1.00 0.00 C ATOM 530 O SER A 31 -2.803 1.283 -8.673 1.00 0.00 O ATOM 531 CB SER A 31 0.028 -0.197 -8.057 1.00 0.00 C ATOM 532 OG SER A 31 0.022 0.332 -9.371 1.00 0.00 O ATOM 0 H SER A 31 -0.494 -1.008 -5.787 1.00 0.00 H new ATOM 0 HA SER A 31 -0.886 1.438 -7.005 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.984 0.017 -7.580 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.072 -1.282 -8.098 1.00 0.00 H new ATOM 0 HG SER A 31 0.759 -0.060 -9.885 1.00 0.00 H new ATOM 538 N LYS A 32 -3.097 -0.812 -7.907 1.00 0.00 N ATOM 539 CA LYS A 32 -4.364 -1.006 -8.602 1.00 0.00 C ATOM 540 C LYS A 32 -5.250 0.229 -8.475 1.00 0.00 C ATOM 541 O LYS A 32 -6.062 0.516 -9.355 1.00 0.00 O ATOM 542 CB LYS A 32 -5.093 -2.230 -8.043 1.00 0.00 C ATOM 543 CG LYS A 32 -5.844 -1.953 -6.752 1.00 0.00 C ATOM 544 CD LYS A 32 -6.690 -3.144 -6.333 1.00 0.00 C ATOM 545 CE LYS A 32 -8.020 -3.171 -7.071 1.00 0.00 C ATOM 546 NZ LYS A 32 -8.913 -4.250 -6.566 1.00 0.00 N ATOM 0 H LYS A 32 -2.791 -1.614 -7.356 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.149 -1.169 -9.658 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.796 -2.597 -8.791 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.369 -3.026 -7.869 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.134 -1.714 -5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.483 -1.079 -6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.144 -4.067 -6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.870 -3.104 -5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.517 -2.207 -6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.841 -3.317 -8.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.765 -4.301 -7.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.411 -5.160 -6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.187 -4.043 -5.584 1.00 0.00 H new ATOM 560 N TYR A 33 -5.088 0.956 -7.375 1.00 0.00 N ATOM 561 CA TYR A 33 -5.874 2.160 -7.133 1.00 0.00 C ATOM 562 C TYR A 33 -5.074 3.412 -7.482 1.00 0.00 C ATOM 563 O TYR A 33 -5.461 4.186 -8.357 1.00 0.00 O ATOM 564 CB TYR A 33 -6.320 2.218 -5.671 1.00 0.00 C ATOM 565 CG TYR A 33 -7.005 0.956 -5.197 1.00 0.00 C ATOM 566 CD1 TYR A 33 -8.265 0.606 -5.667 1.00 0.00 C ATOM 567 CD2 TYR A 33 -6.390 0.112 -4.280 1.00 0.00 C ATOM 568 CE1 TYR A 33 -8.894 -0.545 -5.236 1.00 0.00 C ATOM 569 CE2 TYR A 33 -7.012 -1.043 -3.844 1.00 0.00 C ATOM 570 CZ TYR A 33 -8.263 -1.367 -4.325 1.00 0.00 C ATOM 571 OH TYR A 33 -8.886 -2.516 -3.894 1.00 0.00 O ATOM 0 H TYR A 33 -4.420 0.733 -6.637 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.755 2.123 -7.774 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.450 2.408 -5.042 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.998 3.061 -5.540 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.761 1.246 -6.382 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.410 0.363 -3.902 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.874 -0.801 -5.610 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.521 -1.688 -3.131 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.232 -3.097 -3.453 1.00 0.00 H new ATOM 581 N GLY A 34 -3.955 3.604 -6.790 1.00 0.00 N ATOM 582 CA GLY A 34 -3.118 4.762 -7.040 1.00 0.00 C ATOM 583 C GLY A 34 -1.645 4.410 -7.105 1.00 0.00 C ATOM 584 O GLY A 34 -1.173 3.543 -6.369 1.00 0.00 O ATOM 0 H GLY A 34 -3.614 2.978 -6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.419 5.228 -7.978 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.278 5.499 -6.253 1.00 0.00 H new ATOM 588 N LYS A 35 -0.916 5.081 -7.990 1.00 0.00 N ATOM 589 CA LYS A 35 0.512 4.835 -8.151 1.00 0.00 C ATOM 590 C LYS A 35 1.236 4.943 -6.813 1.00 0.00 C ATOM 591 O LYS A 35 1.049 5.907 -6.070 1.00 0.00 O ATOM 592 CB LYS A 35 1.113 5.827 -9.149 1.00 0.00 C ATOM 593 CG LYS A 35 2.300 5.272 -9.918 1.00 0.00 C ATOM 594 CD LYS A 35 2.483 5.982 -11.249 1.00 0.00 C ATOM 595 CE LYS A 35 3.116 5.067 -12.286 1.00 0.00 C ATOM 596 NZ LYS A 35 2.091 4.311 -13.058 1.00 0.00 N ATOM 0 H LYS A 35 -1.291 5.801 -8.608 1.00 0.00 H new ATOM 0 HA LYS A 35 0.640 3.822 -8.534 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.341 6.130 -9.857 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.425 6.724 -8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.205 5.380 -9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.157 4.205 -10.090 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.517 6.332 -11.612 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.109 6.863 -11.109 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.723 5.659 -12.971 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.787 4.366 -11.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.562 3.699 -13.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.528 3.726 -12.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.466 4.979 -13.552 1.00 0.00 H new ATOM 610 N VAL A 36 2.066 3.949 -6.511 1.00 0.00 N ATOM 611 CA VAL A 36 2.820 3.934 -5.264 1.00 0.00 C ATOM 612 C VAL A 36 4.255 4.400 -5.484 1.00 0.00 C ATOM 613 O VAL A 36 4.908 4.001 -6.449 1.00 0.00 O ATOM 614 CB VAL A 36 2.840 2.528 -4.636 1.00 0.00 C ATOM 615 CG1 VAL A 36 3.654 2.527 -3.352 1.00 0.00 C ATOM 616 CG2 VAL A 36 1.422 2.040 -4.379 1.00 0.00 C ATOM 0 H VAL A 36 2.233 3.143 -7.114 1.00 0.00 H new ATOM 0 HA VAL A 36 2.318 4.621 -4.583 1.00 0.00 H new ATOM 0 HB VAL A 36 3.315 1.842 -5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.656 1.525 -2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.678 2.831 -3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.212 3.225 -2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.454 1.045 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.919 2.726 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.875 1.999 -5.321 1.00 0.00 H new ATOM 626 N VAL A 37 4.741 5.247 -4.583 1.00 0.00 N ATOM 627 CA VAL A 37 6.100 5.767 -4.677 1.00 0.00 C ATOM 628 C VAL A 37 7.002 5.144 -3.618 1.00 0.00 C ATOM 629 O VAL A 37 8.166 4.838 -3.878 1.00 0.00 O ATOM 630 CB VAL A 37 6.127 7.299 -4.522 1.00 0.00 C ATOM 631 CG1 VAL A 37 7.553 7.821 -4.621 1.00 0.00 C ATOM 632 CG2 VAL A 37 5.236 7.956 -5.565 1.00 0.00 C ATOM 0 H VAL A 37 4.214 5.588 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 37 6.472 5.503 -5.667 1.00 0.00 H new ATOM 0 HB VAL A 37 5.740 7.554 -3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.552 8.905 -4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.159 7.375 -3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.971 7.557 -5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.267 9.038 -5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.590 7.695 -6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.211 7.606 -5.441 1.00 0.00 H new ATOM 642 N LYS A 38 6.457 4.957 -2.421 1.00 0.00 N ATOM 643 CA LYS A 38 7.210 4.367 -1.320 1.00 0.00 C ATOM 644 C LYS A 38 6.309 3.499 -0.447 1.00 0.00 C ATOM 645 O LYS A 38 5.108 3.746 -0.340 1.00 0.00 O ATOM 646 CB LYS A 38 7.855 5.465 -0.471 1.00 0.00 C ATOM 647 CG LYS A 38 9.063 6.111 -1.128 1.00 0.00 C ATOM 648 CD LYS A 38 10.349 5.389 -0.762 1.00 0.00 C ATOM 649 CE LYS A 38 11.571 6.252 -1.037 1.00 0.00 C ATOM 650 NZ LYS A 38 12.732 5.856 -0.193 1.00 0.00 N ATOM 0 H LYS A 38 5.496 5.206 -2.188 1.00 0.00 H new ATOM 0 HA LYS A 38 7.991 3.737 -1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.112 6.234 -0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.156 5.042 0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.936 6.105 -2.211 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.131 7.155 -0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.326 5.115 0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.422 4.462 -1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.843 6.171 -2.089 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.326 7.298 -0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.544 6.468 -0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.482 5.957 0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.982 4.866 -0.389 1.00 0.00 H new ATOM 664 N VAL A 39 6.897 2.483 0.176 1.00 0.00 N ATOM 665 CA VAL A 39 6.148 1.580 1.041 1.00 0.00 C ATOM 666 C VAL A 39 6.650 1.654 2.479 1.00 0.00 C ATOM 667 O VAL A 39 7.816 1.964 2.727 1.00 0.00 O ATOM 668 CB VAL A 39 6.244 0.123 0.550 1.00 0.00 C ATOM 669 CG1 VAL A 39 5.458 -0.802 1.466 1.00 0.00 C ATOM 670 CG2 VAL A 39 5.750 0.012 -0.885 1.00 0.00 C ATOM 0 H VAL A 39 7.890 2.265 0.098 1.00 0.00 H new ATOM 0 HA VAL A 39 5.106 1.900 1.006 1.00 0.00 H new ATOM 0 HB VAL A 39 7.290 -0.183 0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.537 -1.827 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.862 -0.742 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.411 -0.501 1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.825 -1.024 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.711 0.336 -0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.360 0.644 -1.530 1.00 0.00 H new ATOM 680 N THR A 40 5.762 1.367 3.426 1.00 0.00 N ATOM 681 CA THR A 40 6.114 1.402 4.840 1.00 0.00 C ATOM 682 C THR A 40 5.325 0.363 5.628 1.00 0.00 C ATOM 683 O THR A 40 4.131 0.170 5.396 1.00 0.00 O ATOM 684 CB THR A 40 5.860 2.794 5.448 1.00 0.00 C ATOM 685 OG1 THR A 40 6.638 3.779 4.759 1.00 0.00 O ATOM 686 CG2 THR A 40 6.209 2.809 6.928 1.00 0.00 C ATOM 0 H THR A 40 4.793 1.108 3.239 1.00 0.00 H new ATOM 0 HA THR A 40 7.178 1.174 4.907 1.00 0.00 H new ATOM 0 HB THR A 40 4.801 3.027 5.338 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.470 4.661 5.151 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.022 3.802 7.336 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.594 2.079 7.454 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.262 2.557 7.056 1.00 0.00 H new ATOM 694 N ILE A 41 5.998 -0.302 6.561 1.00 0.00 N ATOM 695 CA ILE A 41 5.357 -1.319 7.385 1.00 0.00 C ATOM 696 C ILE A 41 5.687 -1.120 8.860 1.00 0.00 C ATOM 697 O ILE A 41 6.800 -0.729 9.210 1.00 0.00 O ATOM 698 CB ILE A 41 5.785 -2.737 6.962 1.00 0.00 C ATOM 699 CG1 ILE A 41 5.333 -3.024 5.529 1.00 0.00 C ATOM 700 CG2 ILE A 41 5.213 -3.771 7.921 1.00 0.00 C ATOM 701 CD1 ILE A 41 5.985 -4.246 4.923 1.00 0.00 C ATOM 0 H ILE A 41 6.986 -0.155 6.765 1.00 0.00 H new ATOM 0 HA ILE A 41 4.282 -1.213 7.238 1.00 0.00 H new ATOM 0 HB ILE A 41 6.873 -2.798 6.999 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.251 -3.156 5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.555 -2.157 4.906 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.524 -4.768 7.609 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.580 -3.575 8.929 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.125 -3.712 7.913 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.617 -4.388 3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.066 -4.109 4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.742 -5.123 5.523 1.00 0.00 H new ATOM 713 N MET A 42 4.712 -1.392 9.721 1.00 0.00 N ATOM 714 CA MET A 42 4.900 -1.246 11.160 1.00 0.00 C ATOM 715 C MET A 42 5.592 -2.472 11.746 1.00 0.00 C ATOM 716 O MET A 42 5.750 -3.490 11.071 1.00 0.00 O ATOM 717 CB MET A 42 3.554 -1.026 11.852 1.00 0.00 C ATOM 718 CG MET A 42 2.913 0.313 11.524 1.00 0.00 C ATOM 719 SD MET A 42 3.643 1.677 12.449 1.00 0.00 S ATOM 720 CE MET A 42 4.346 2.650 11.120 1.00 0.00 C ATOM 0 H MET A 42 3.784 -1.715 9.448 1.00 0.00 H new ATOM 0 HA MET A 42 5.535 -0.377 11.331 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.872 -1.826 11.564 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.693 -1.098 12.931 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.014 0.508 10.456 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.846 0.263 11.739 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.399 2.840 11.326 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.252 2.105 10.181 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.815 3.599 11.043 1.00 0.00 H new ATOM 730 N LYS A 43 6.004 -2.369 13.005 1.00 0.00 N ATOM 731 CA LYS A 43 6.679 -3.469 13.682 1.00 0.00 C ATOM 732 C LYS A 43 6.596 -3.308 15.197 1.00 0.00 C ATOM 733 O LYS A 43 6.991 -2.278 15.744 1.00 0.00 O ATOM 734 CB LYS A 43 8.144 -3.543 13.246 1.00 0.00 C ATOM 735 CG LYS A 43 8.346 -4.233 11.908 1.00 0.00 C ATOM 736 CD LYS A 43 8.393 -3.232 10.766 1.00 0.00 C ATOM 737 CE LYS A 43 9.818 -2.795 10.465 1.00 0.00 C ATOM 738 NZ LYS A 43 10.226 -1.626 11.292 1.00 0.00 N ATOM 0 H LYS A 43 5.882 -1.534 13.577 1.00 0.00 H new ATOM 0 HA LYS A 43 6.177 -4.396 13.404 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.549 -2.533 13.189 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.715 -4.073 14.008 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.273 -4.806 11.929 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.537 -4.943 11.738 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.951 -3.676 9.874 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.790 -2.360 11.020 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.499 -3.626 10.649 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.904 -2.540 9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.087 -1.201 10.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.462 -0.920 11.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.414 -1.939 12.266 1.00 0.00 H new ATOM 752 N ASP A 44 6.083 -4.332 15.869 1.00 0.00 N ATOM 753 CA ASP A 44 5.951 -4.305 17.321 1.00 0.00 C ATOM 754 C ASP A 44 7.320 -4.358 17.992 1.00 0.00 C ATOM 755 O ASP A 44 8.347 -4.471 17.323 1.00 0.00 O ATOM 756 CB ASP A 44 5.090 -5.476 17.798 1.00 0.00 C ATOM 757 CG ASP A 44 4.591 -5.287 19.218 1.00 0.00 C ATOM 758 OD1 ASP A 44 4.490 -4.124 19.661 1.00 0.00 O ATOM 759 OD2 ASP A 44 4.304 -6.302 19.886 1.00 0.00 O ATOM 0 H ASP A 44 5.751 -5.192 15.431 1.00 0.00 H new ATOM 0 HA ASP A 44 5.465 -3.370 17.600 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.238 -5.593 17.129 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.670 -6.397 17.739 1.00 0.00 H new ATOM 764 N LYS A 45 7.327 -4.275 19.318 1.00 0.00 N ATOM 765 CA LYS A 45 8.569 -4.313 20.081 1.00 0.00 C ATOM 766 C LYS A 45 8.755 -5.671 20.750 1.00 0.00 C ATOM 767 O LYS A 45 9.742 -6.365 20.504 1.00 0.00 O ATOM 768 CB LYS A 45 8.575 -3.207 21.139 1.00 0.00 C ATOM 769 CG LYS A 45 9.167 -1.898 20.646 1.00 0.00 C ATOM 770 CD LYS A 45 9.374 -0.915 21.787 1.00 0.00 C ATOM 771 CE LYS A 45 10.240 0.260 21.360 1.00 0.00 C ATOM 772 NZ LYS A 45 10.672 1.082 22.524 1.00 0.00 N ATOM 0 H LYS A 45 6.486 -4.181 19.887 1.00 0.00 H new ATOM 0 HA LYS A 45 9.396 -4.152 19.390 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.553 -3.031 21.474 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.140 -3.548 22.006 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.120 -2.091 20.154 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.506 -1.457 19.900 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.407 -0.549 22.133 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.842 -1.426 22.629 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.118 -0.110 20.830 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.685 0.885 20.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.260 1.873 22.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.835 1.456 23.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.223 0.492 23.180 1.00 0.00 H new ATOM 786 N ASP A 46 7.800 -6.046 21.594 1.00 0.00 N ATOM 787 CA ASP A 46 7.858 -7.323 22.295 1.00 0.00 C ATOM 788 C ASP A 46 7.860 -8.486 21.308 1.00 0.00 C ATOM 789 O ASP A 46 8.771 -9.315 21.310 1.00 0.00 O ATOM 790 CB ASP A 46 6.675 -7.456 23.256 1.00 0.00 C ATOM 791 CG ASP A 46 7.005 -8.305 24.468 1.00 0.00 C ATOM 792 OD1 ASP A 46 7.967 -7.963 25.188 1.00 0.00 O ATOM 793 OD2 ASP A 46 6.302 -9.311 24.696 1.00 0.00 O ATOM 0 H ASP A 46 6.977 -5.484 21.809 1.00 0.00 H new ATOM 0 HA ASP A 46 8.786 -7.353 22.866 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.365 -6.464 23.585 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.829 -7.896 22.728 1.00 0.00 H new ATOM 798 N THR A 47 6.834 -8.542 20.465 1.00 0.00 N ATOM 799 CA THR A 47 6.716 -9.604 19.474 1.00 0.00 C ATOM 800 C THR A 47 7.643 -9.356 18.289 1.00 0.00 C ATOM 801 O THR A 47 8.284 -10.278 17.787 1.00 0.00 O ATOM 802 CB THR A 47 5.270 -9.736 18.961 1.00 0.00 C ATOM 803 OG1 THR A 47 4.900 -8.562 18.229 1.00 0.00 O ATOM 804 CG2 THR A 47 4.303 -9.945 20.116 1.00 0.00 C ATOM 0 H THR A 47 6.072 -7.864 20.449 1.00 0.00 H new ATOM 0 HA THR A 47 7.004 -10.531 19.969 1.00 0.00 H new ATOM 0 HB THR A 47 5.219 -10.604 18.304 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.587 -7.873 18.852 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.288 -10.035 19.729 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.569 -10.855 20.653 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.358 -9.094 20.795 1.00 0.00 H new ATOM 812 N ARG A 48 7.709 -8.104 17.848 1.00 0.00 N ATOM 813 CA ARG A 48 8.557 -7.735 16.721 1.00 0.00 C ATOM 814 C ARG A 48 7.972 -8.247 15.408 1.00 0.00 C ATOM 815 O ARG A 48 8.665 -8.878 14.611 1.00 0.00 O ATOM 816 CB ARG A 48 9.969 -8.292 16.914 1.00 0.00 C ATOM 817 CG ARG A 48 11.061 -7.388 16.366 1.00 0.00 C ATOM 818 CD ARG A 48 11.383 -7.718 14.917 1.00 0.00 C ATOM 819 NE ARG A 48 12.346 -6.783 14.343 1.00 0.00 N ATOM 820 CZ ARG A 48 12.809 -6.873 13.101 1.00 0.00 C ATOM 821 NH1 ARG A 48 12.398 -7.852 12.307 1.00 0.00 N ATOM 822 NH2 ARG A 48 13.684 -5.984 12.652 1.00 0.00 N ATOM 0 H ARG A 48 7.186 -7.328 18.254 1.00 0.00 H new ATOM 0 HA ARG A 48 8.605 -6.647 16.677 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.144 -8.455 17.977 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.036 -9.265 16.427 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.745 -6.347 16.442 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.960 -7.493 16.973 1.00 0.00 H new ATOM 0 HD2 ARG A 48 11.781 -8.731 14.856 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.466 -7.700 14.329 1.00 0.00 H new ATOM 0 HE ARG A 48 12.682 -6.018 14.928 1.00 0.00 H new ATOM 0 HH11 ARG A 48 11.725 -8.538 12.649 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.755 -7.919 11.354 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.003 -5.230 13.260 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.039 -6.054 11.698 1.00 0.00 H new ATOM 836 N LYS A 49 6.690 -7.972 15.191 1.00 0.00 N ATOM 837 CA LYS A 49 6.010 -8.404 13.976 1.00 0.00 C ATOM 838 C LYS A 49 5.225 -7.253 13.353 1.00 0.00 C ATOM 839 O LYS A 49 4.850 -6.303 14.039 1.00 0.00 O ATOM 840 CB LYS A 49 5.068 -9.571 14.281 1.00 0.00 C ATOM 841 CG LYS A 49 5.749 -10.734 14.981 1.00 0.00 C ATOM 842 CD LYS A 49 6.691 -11.473 14.047 1.00 0.00 C ATOM 843 CE LYS A 49 5.929 -12.348 13.063 1.00 0.00 C ATOM 844 NZ LYS A 49 5.706 -13.720 13.597 1.00 0.00 N ATOM 0 H LYS A 49 6.101 -7.452 15.841 1.00 0.00 H new ATOM 0 HA LYS A 49 6.767 -8.733 13.264 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.248 -9.212 14.904 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.629 -9.926 13.349 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.305 -10.366 15.843 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.995 -11.424 15.359 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.300 -10.754 13.500 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.374 -12.090 14.631 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.968 -11.886 12.835 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.483 -12.409 12.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.184 -14.284 12.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.623 -14.171 13.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.155 -13.665 14.477 1.00 0.00 H new ATOM 858 N SER A 50 4.980 -7.347 12.050 1.00 0.00 N ATOM 859 CA SER A 50 4.241 -6.313 11.335 1.00 0.00 C ATOM 860 C SER A 50 2.798 -6.240 11.823 1.00 0.00 C ATOM 861 O SER A 50 2.253 -5.155 12.029 1.00 0.00 O ATOM 862 CB SER A 50 4.270 -6.584 9.830 1.00 0.00 C ATOM 863 OG SER A 50 3.330 -5.772 9.147 1.00 0.00 O ATOM 0 H SER A 50 5.282 -8.128 11.468 1.00 0.00 H new ATOM 0 HA SER A 50 4.721 -5.355 11.533 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.270 -6.392 9.442 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.051 -7.635 9.642 1.00 0.00 H new ATOM 0 HG SER A 50 3.369 -5.963 8.187 1.00 0.00 H new ATOM 869 N LYS A 51 2.183 -7.403 12.007 1.00 0.00 N ATOM 870 CA LYS A 51 0.803 -7.474 12.472 1.00 0.00 C ATOM 871 C LYS A 51 -0.154 -6.908 11.427 1.00 0.00 C ATOM 872 O LYS A 51 -1.250 -6.456 11.755 1.00 0.00 O ATOM 873 CB LYS A 51 0.646 -6.710 13.789 1.00 0.00 C ATOM 874 CG LYS A 51 1.735 -7.017 14.803 1.00 0.00 C ATOM 875 CD LYS A 51 1.822 -5.939 15.871 1.00 0.00 C ATOM 876 CE LYS A 51 2.549 -4.705 15.359 1.00 0.00 C ATOM 877 NZ LYS A 51 2.276 -3.510 16.205 1.00 0.00 N ATOM 0 H LYS A 51 2.619 -8.310 11.841 1.00 0.00 H new ATOM 0 HA LYS A 51 0.556 -8.523 12.636 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.646 -5.640 13.581 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.324 -6.950 14.225 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.535 -7.980 15.272 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.694 -7.104 14.293 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.818 -5.663 16.194 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.341 -6.332 16.745 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.622 -4.898 15.338 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.242 -4.502 14.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.789 -2.690 15.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.255 -3.310 16.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.593 -3.694 17.178 1.00 0.00 H new ATOM 891 N GLY A 52 0.269 -6.938 10.167 1.00 0.00 N ATOM 892 CA GLY A 52 -0.563 -6.426 9.093 1.00 0.00 C ATOM 893 C GLY A 52 -0.515 -4.915 8.993 1.00 0.00 C ATOM 894 O GLY A 52 -0.504 -4.358 7.895 1.00 0.00 O ATOM 0 H GLY A 52 1.172 -7.307 9.871 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.238 -6.860 8.147 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.593 -6.744 9.253 1.00 0.00 H new ATOM 898 N VAL A 53 -0.487 -4.247 10.142 1.00 0.00 N ATOM 899 CA VAL A 53 -0.440 -2.791 10.179 1.00 0.00 C ATOM 900 C VAL A 53 0.727 -2.257 9.357 1.00 0.00 C ATOM 901 O VAL A 53 1.889 -2.469 9.700 1.00 0.00 O ATOM 902 CB VAL A 53 -0.317 -2.270 11.624 1.00 0.00 C ATOM 903 CG1 VAL A 53 -0.637 -0.784 11.685 1.00 0.00 C ATOM 904 CG2 VAL A 53 -1.227 -3.058 12.554 1.00 0.00 C ATOM 0 H VAL A 53 -0.496 -4.692 11.060 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.376 -2.433 9.750 1.00 0.00 H new ATOM 0 HB VAL A 53 0.712 -2.410 11.956 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.545 -0.434 12.713 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.060 -0.235 11.051 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.655 -0.616 11.335 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.127 -2.676 13.570 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.261 -2.952 12.227 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.946 -4.111 12.532 1.00 0.00 H new ATOM 914 N ALA A 54 0.408 -1.562 8.269 1.00 0.00 N ATOM 915 CA ALA A 54 1.431 -0.995 7.398 1.00 0.00 C ATOM 916 C ALA A 54 0.972 0.333 6.807 1.00 0.00 C ATOM 917 O ALA A 54 -0.225 0.612 6.733 1.00 0.00 O ATOM 918 CB ALA A 54 1.782 -1.976 6.290 1.00 0.00 C ATOM 0 H ALA A 54 -0.550 -1.378 7.970 1.00 0.00 H new ATOM 0 HA ALA A 54 2.322 -0.807 7.997 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.547 -1.540 5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.160 -2.900 6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.892 -2.192 5.700 1.00 0.00 H new ATOM 924 N PHE A 55 1.932 1.151 6.386 1.00 0.00 N ATOM 925 CA PHE A 55 1.627 2.451 5.802 1.00 0.00 C ATOM 926 C PHE A 55 2.064 2.508 4.341 1.00 0.00 C ATOM 927 O PHE A 55 3.201 2.171 4.009 1.00 0.00 O ATOM 928 CB PHE A 55 2.315 3.564 6.595 1.00 0.00 C ATOM 929 CG PHE A 55 1.763 3.743 7.981 1.00 0.00 C ATOM 930 CD1 PHE A 55 1.743 2.684 8.874 1.00 0.00 C ATOM 931 CD2 PHE A 55 1.263 4.969 8.389 1.00 0.00 C ATOM 932 CE1 PHE A 55 1.236 2.844 10.150 1.00 0.00 C ATOM 933 CE2 PHE A 55 0.755 5.135 9.664 1.00 0.00 C ATOM 934 CZ PHE A 55 0.740 4.072 10.545 1.00 0.00 C ATOM 0 H PHE A 55 2.928 0.936 6.439 1.00 0.00 H new ATOM 0 HA PHE A 55 0.548 2.596 5.846 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.381 3.345 6.663 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.216 4.502 6.049 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.128 1.722 8.570 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.270 5.804 7.704 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.228 2.011 10.837 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.370 6.096 9.971 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.342 4.200 11.541 1.00 0.00 H new ATOM 944 N ILE A 56 1.153 2.935 3.474 1.00 0.00 N ATOM 945 CA ILE A 56 1.444 3.036 2.049 1.00 0.00 C ATOM 946 C ILE A 56 1.483 4.493 1.598 1.00 0.00 C ATOM 947 O ILE A 56 0.626 5.294 1.972 1.00 0.00 O ATOM 948 CB ILE A 56 0.401 2.278 1.206 1.00 0.00 C ATOM 949 CG1 ILE A 56 0.318 0.817 1.653 1.00 0.00 C ATOM 950 CG2 ILE A 56 0.750 2.366 -0.272 1.00 0.00 C ATOM 951 CD1 ILE A 56 1.618 0.061 1.494 1.00 0.00 C ATOM 0 H ILE A 56 0.207 3.217 3.733 1.00 0.00 H new ATOM 0 HA ILE A 56 2.423 2.583 1.894 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.574 2.741 1.357 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.013 0.782 2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.459 0.313 1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.004 1.826 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.764 3.411 -0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.732 1.924 -0.441 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.484 -0.967 1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.915 0.064 0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.393 0.541 2.092 1.00 0.00 H new ATOM 963 N LEU A 57 2.483 4.829 0.790 1.00 0.00 N ATOM 964 CA LEU A 57 2.633 6.189 0.285 1.00 0.00 C ATOM 965 C LEU A 57 2.223 6.274 -1.182 1.00 0.00 C ATOM 966 O LEU A 57 2.695 5.500 -2.015 1.00 0.00 O ATOM 967 CB LEU A 57 4.080 6.658 0.450 1.00 0.00 C ATOM 968 CG LEU A 57 4.308 8.168 0.386 1.00 0.00 C ATOM 969 CD1 LEU A 57 5.715 8.516 0.845 1.00 0.00 C ATOM 970 CD2 LEU A 57 4.062 8.686 -1.024 1.00 0.00 C ATOM 0 H LEU A 57 3.201 4.179 0.471 1.00 0.00 H new ATOM 0 HA LEU A 57 1.978 6.840 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.451 6.295 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.684 6.186 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 57 3.599 8.651 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.858 9.595 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.856 8.181 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.441 8.022 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.229 9.763 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.746 8.196 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.034 8.471 -1.316 1.00 0.00 H new ATOM 982 N PHE A 58 1.343 7.221 -1.491 1.00 0.00 N ATOM 983 CA PHE A 58 0.870 7.408 -2.857 1.00 0.00 C ATOM 984 C PHE A 58 1.425 8.698 -3.453 1.00 0.00 C ATOM 985 O PHE A 58 1.751 9.640 -2.729 1.00 0.00 O ATOM 986 CB PHE A 58 -0.659 7.433 -2.891 1.00 0.00 C ATOM 987 CG PHE A 58 -1.289 6.113 -2.551 1.00 0.00 C ATOM 988 CD1 PHE A 58 -1.210 5.605 -1.264 1.00 0.00 C ATOM 989 CD2 PHE A 58 -1.959 5.380 -3.516 1.00 0.00 C ATOM 990 CE1 PHE A 58 -1.788 4.390 -0.948 1.00 0.00 C ATOM 991 CE2 PHE A 58 -2.539 4.165 -3.206 1.00 0.00 C ATOM 992 CZ PHE A 58 -2.454 3.669 -1.920 1.00 0.00 C ATOM 0 H PHE A 58 0.943 7.871 -0.814 1.00 0.00 H new ATOM 0 HA PHE A 58 1.226 6.570 -3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.017 8.188 -2.192 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.987 7.738 -3.885 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.691 6.165 -0.500 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.029 5.763 -4.523 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.719 4.004 0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.058 3.604 -3.969 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.907 2.720 -1.675 1.00 0.00 H new ATOM 1002 N LEU A 59 1.531 8.735 -4.777 1.00 0.00 N ATOM 1003 CA LEU A 59 2.047 9.909 -5.471 1.00 0.00 C ATOM 1004 C LEU A 59 1.251 11.156 -5.099 1.00 0.00 C ATOM 1005 O LEU A 59 1.821 12.176 -4.712 1.00 0.00 O ATOM 1006 CB LEU A 59 1.999 9.693 -6.985 1.00 0.00 C ATOM 1007 CG LEU A 59 2.753 10.717 -7.833 1.00 0.00 C ATOM 1008 CD1 LEU A 59 4.255 10.548 -7.666 1.00 0.00 C ATOM 1009 CD2 LEU A 59 2.360 10.589 -9.298 1.00 0.00 C ATOM 0 H LEU A 59 1.266 7.965 -5.391 1.00 0.00 H new ATOM 0 HA LEU A 59 3.082 10.056 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.401 8.704 -7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.955 9.690 -7.298 1.00 0.00 H new ATOM 0 HG LEU A 59 2.481 11.715 -7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.774 11.286 -8.277 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.523 10.691 -6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.546 9.546 -7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.906 11.326 -9.887 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.603 9.588 -9.654 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.289 10.762 -9.404 1.00 0.00 H new ATOM 1021 N ASP A 60 -0.070 11.065 -5.216 1.00 0.00 N ATOM 1022 CA ASP A 60 -0.945 12.184 -4.888 1.00 0.00 C ATOM 1023 C ASP A 60 -1.852 11.839 -3.711 1.00 0.00 C ATOM 1024 O ASP A 60 -1.976 10.674 -3.330 1.00 0.00 O ATOM 1025 CB ASP A 60 -1.791 12.570 -6.103 1.00 0.00 C ATOM 1026 CG ASP A 60 -2.950 13.476 -5.737 1.00 0.00 C ATOM 1027 OD1 ASP A 60 -2.708 14.518 -5.092 1.00 0.00 O ATOM 1028 OD2 ASP A 60 -4.099 13.143 -6.095 1.00 0.00 O ATOM 0 H ASP A 60 -0.557 10.228 -5.535 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.320 13.031 -4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.160 13.071 -6.837 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.175 11.666 -6.576 1.00 0.00 H new ATOM 1033 N LYS A 61 -2.482 12.858 -3.137 1.00 0.00 N ATOM 1034 CA LYS A 61 -3.377 12.664 -2.003 1.00 0.00 C ATOM 1035 C LYS A 61 -4.734 12.139 -2.464 1.00 0.00 C ATOM 1036 O LYS A 61 -5.363 11.332 -1.780 1.00 0.00 O ATOM 1037 CB LYS A 61 -3.559 13.977 -1.240 1.00 0.00 C ATOM 1038 CG LYS A 61 -4.092 15.111 -2.099 1.00 0.00 C ATOM 1039 CD LYS A 61 -4.915 16.092 -1.280 1.00 0.00 C ATOM 1040 CE LYS A 61 -6.276 15.515 -0.922 1.00 0.00 C ATOM 1041 NZ LYS A 61 -7.205 16.561 -0.412 1.00 0.00 N ATOM 0 H LYS A 61 -2.389 13.828 -3.439 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.927 11.925 -1.340 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.242 13.812 -0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.601 14.275 -0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.260 15.636 -2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.705 14.703 -2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.376 16.348 -0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.047 17.016 -1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.712 15.040 -1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.154 14.738 -0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.121 16.128 -0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.802 16.997 0.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.342 17.289 -1.142 1.00 0.00 H new ATOM 1055 N ASP A 62 -5.177 12.602 -3.628 1.00 0.00 N ATOM 1056 CA ASP A 62 -6.458 12.177 -4.182 1.00 0.00 C ATOM 1057 C ASP A 62 -6.473 10.671 -4.421 1.00 0.00 C ATOM 1058 O ASP A 62 -7.392 9.974 -3.992 1.00 0.00 O ATOM 1059 CB ASP A 62 -6.742 12.917 -5.490 1.00 0.00 C ATOM 1060 CG ASP A 62 -8.214 12.908 -5.852 1.00 0.00 C ATOM 1061 OD1 ASP A 62 -9.043 13.241 -4.978 1.00 0.00 O ATOM 1062 OD2 ASP A 62 -8.538 12.568 -7.009 1.00 0.00 O ATOM 0 H ASP A 62 -4.669 13.271 -4.206 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.238 12.420 -3.460 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.399 13.948 -5.403 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.170 12.457 -6.296 1.00 0.00 H new ATOM 1067 N SER A 63 -5.451 10.176 -5.111 1.00 0.00 N ATOM 1068 CA SER A 63 -5.350 8.753 -5.412 1.00 0.00 C ATOM 1069 C SER A 63 -5.564 7.915 -4.155 1.00 0.00 C ATOM 1070 O SER A 63 -6.300 6.928 -4.172 1.00 0.00 O ATOM 1071 CB SER A 63 -3.983 8.435 -6.023 1.00 0.00 C ATOM 1072 OG SER A 63 -2.956 9.174 -5.387 1.00 0.00 O ATOM 0 H SER A 63 -4.681 10.739 -5.472 1.00 0.00 H new ATOM 0 HA SER A 63 -6.130 8.503 -6.132 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.779 7.368 -5.930 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.995 8.665 -7.088 1.00 0.00 H new ATOM 0 HG SER A 63 -2.093 8.952 -5.794 1.00 0.00 H new ATOM 1078 N ALA A 64 -4.917 8.316 -3.067 1.00 0.00 N ATOM 1079 CA ALA A 64 -5.037 7.604 -1.800 1.00 0.00 C ATOM 1080 C ALA A 64 -6.500 7.417 -1.413 1.00 0.00 C ATOM 1081 O ALA A 64 -6.977 6.291 -1.279 1.00 0.00 O ATOM 1082 CB ALA A 64 -4.290 8.348 -0.703 1.00 0.00 C ATOM 0 H ALA A 64 -4.304 9.131 -3.037 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.591 6.617 -1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.388 7.805 0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.236 8.425 -0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.710 9.347 -0.590 1.00 0.00 H new ATOM 1088 N GLN A 65 -7.207 8.529 -1.234 1.00 0.00 N ATOM 1089 CA GLN A 65 -8.616 8.486 -0.861 1.00 0.00 C ATOM 1090 C GLN A 65 -9.309 7.280 -1.486 1.00 0.00 C ATOM 1091 O GLN A 65 -9.849 6.429 -0.782 1.00 0.00 O ATOM 1092 CB GLN A 65 -9.319 9.774 -1.293 1.00 0.00 C ATOM 1093 CG GLN A 65 -8.960 10.979 -0.438 1.00 0.00 C ATOM 1094 CD GLN A 65 -9.617 12.256 -0.925 1.00 0.00 C ATOM 1095 OE1 GLN A 65 -9.230 12.815 -1.951 1.00 0.00 O ATOM 1096 NE2 GLN A 65 -10.618 12.725 -0.188 1.00 0.00 N ATOM 0 H GLN A 65 -6.827 9.470 -1.341 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.676 8.394 0.223 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.064 9.987 -2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.397 9.620 -1.255 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.260 10.791 0.593 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.878 11.109 -0.436 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.906 12.229 0.656 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.098 13.581 -0.466 1.00 0.00 H new ATOM 1105 N ASN A 66 -9.288 7.215 -2.814 1.00 0.00 N ATOM 1106 CA ASN A 66 -9.916 6.113 -3.534 1.00 0.00 C ATOM 1107 C ASN A 66 -9.682 4.789 -2.814 1.00 0.00 C ATOM 1108 O ASN A 66 -10.623 4.165 -2.321 1.00 0.00 O ATOM 1109 CB ASN A 66 -9.369 6.033 -4.961 1.00 0.00 C ATOM 1110 CG ASN A 66 -10.116 5.022 -5.810 1.00 0.00 C ATOM 1111 OD1 ASN A 66 -10.636 4.030 -5.300 1.00 0.00 O ATOM 1112 ND2 ASN A 66 -10.171 5.271 -7.114 1.00 0.00 N ATOM 0 H ASN A 66 -8.844 7.911 -3.412 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.989 6.301 -3.572 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.435 7.016 -5.428 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.313 5.766 -4.928 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.659 4.627 -7.736 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.725 6.106 -7.493 1.00 0.00 H new ATOM 1119 N CYS A 67 -8.424 4.367 -2.756 1.00 0.00 N ATOM 1120 CA CYS A 67 -8.067 3.116 -2.095 1.00 0.00 C ATOM 1121 C CYS A 67 -8.614 3.077 -0.672 1.00 0.00 C ATOM 1122 O CYS A 67 -9.178 2.072 -0.239 1.00 0.00 O ATOM 1123 CB CYS A 67 -6.548 2.942 -2.076 1.00 0.00 C ATOM 1124 SG CYS A 67 -5.982 1.510 -1.128 1.00 0.00 S ATOM 0 H CYS A 67 -7.634 4.872 -3.158 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.513 2.296 -2.658 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.191 2.850 -3.102 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.095 3.842 -1.660 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.919 0.471 -1.907 1.00 0.00 H new ATOM 1130 N THR A 68 -8.443 4.179 0.052 1.00 0.00 N ATOM 1131 CA THR A 68 -8.917 4.270 1.428 1.00 0.00 C ATOM 1132 C THR A 68 -10.383 3.867 1.532 1.00 0.00 C ATOM 1133 O THR A 68 -10.885 3.590 2.621 1.00 0.00 O ATOM 1134 CB THR A 68 -8.747 5.695 1.987 1.00 0.00 C ATOM 1135 OG1 THR A 68 -7.544 6.281 1.477 1.00 0.00 O ATOM 1136 CG2 THR A 68 -8.703 5.678 3.508 1.00 0.00 C ATOM 0 H THR A 68 -7.980 5.021 -0.291 1.00 0.00 H new ATOM 0 HA THR A 68 -8.311 3.582 2.017 1.00 0.00 H new ATOM 0 HB THR A 68 -9.603 6.290 1.670 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.800 6.078 2.081 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.582 6.695 3.880 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.632 5.258 3.894 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.863 5.068 3.841 1.00 0.00 H new ATOM 1144 N ARG A 69 -11.066 3.836 0.392 1.00 0.00 N ATOM 1145 CA ARG A 69 -12.476 3.467 0.356 1.00 0.00 C ATOM 1146 C ARG A 69 -12.672 2.139 -0.370 1.00 0.00 C ATOM 1147 O ARG A 69 -13.619 1.403 -0.093 1.00 0.00 O ATOM 1148 CB ARG A 69 -13.294 4.561 -0.332 1.00 0.00 C ATOM 1149 CG ARG A 69 -14.756 4.196 -0.531 1.00 0.00 C ATOM 1150 CD ARG A 69 -15.345 4.896 -1.745 1.00 0.00 C ATOM 1151 NE ARG A 69 -16.618 4.307 -2.153 1.00 0.00 N ATOM 1152 CZ ARG A 69 -17.109 4.397 -3.384 1.00 0.00 C ATOM 1153 NH1 ARG A 69 -16.437 5.050 -4.323 1.00 0.00 N ATOM 1154 NH2 ARG A 69 -18.274 3.834 -3.678 1.00 0.00 N ATOM 0 H ARG A 69 -10.666 4.062 -0.519 1.00 0.00 H new ATOM 0 HA ARG A 69 -12.823 3.355 1.383 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.234 5.474 0.260 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.848 4.780 -1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.849 3.117 -0.651 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.324 4.468 0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.490 5.952 -1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.638 4.841 -2.573 1.00 0.00 H new ATOM 0 HE ARG A 69 -17.160 3.799 -1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.541 5.484 -4.100 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -16.816 5.118 -5.268 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -18.794 3.331 -2.958 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -18.650 3.904 -4.624 1.00 0.00 H new ATOM 1168 N ALA A 70 -11.771 1.840 -1.299 1.00 0.00 N ATOM 1169 CA ALA A 70 -11.844 0.600 -2.063 1.00 0.00 C ATOM 1170 C ALA A 70 -11.542 -0.607 -1.181 1.00 0.00 C ATOM 1171 O ALA A 70 -12.290 -1.585 -1.176 1.00 0.00 O ATOM 1172 CB ALA A 70 -10.882 0.649 -3.241 1.00 0.00 C ATOM 0 H ALA A 70 -10.982 2.439 -1.541 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.861 0.495 -2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.947 -0.283 -3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.145 1.483 -3.891 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.864 0.782 -2.874 1.00 0.00 H new ATOM 1178 N ILE A 71 -10.444 -0.531 -0.438 1.00 0.00 N ATOM 1179 CA ILE A 71 -10.044 -1.617 0.448 1.00 0.00 C ATOM 1180 C ILE A 71 -10.752 -1.517 1.795 1.00 0.00 C ATOM 1181 O ILE A 71 -11.010 -2.526 2.448 1.00 0.00 O ATOM 1182 CB ILE A 71 -8.522 -1.624 0.679 1.00 0.00 C ATOM 1183 CG1 ILE A 71 -8.106 -0.413 1.517 1.00 0.00 C ATOM 1184 CG2 ILE A 71 -7.784 -1.633 -0.651 1.00 0.00 C ATOM 1185 CD1 ILE A 71 -6.673 -0.475 1.999 1.00 0.00 C ATOM 0 H ILE A 71 -9.815 0.272 -0.432 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.332 -2.547 -0.043 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.257 -2.529 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.243 0.492 0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.768 -0.334 2.379 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.709 -1.638 -0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.061 -2.524 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.052 -0.744 -1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.448 0.415 2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.535 -1.362 2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.002 -0.523 1.141 1.00 0.00 H new ATOM 1197 N ASN A 72 -11.064 -0.291 2.203 1.00 0.00 N ATOM 1198 CA ASN A 72 -11.743 -0.058 3.472 1.00 0.00 C ATOM 1199 C ASN A 72 -13.069 -0.810 3.525 1.00 0.00 C ATOM 1200 O ASN A 72 -13.861 -0.761 2.585 1.00 0.00 O ATOM 1201 CB ASN A 72 -11.985 1.439 3.678 1.00 0.00 C ATOM 1202 CG ASN A 72 -13.065 1.714 4.706 1.00 0.00 C ATOM 1203 OD1 ASN A 72 -14.110 2.283 4.388 1.00 0.00 O ATOM 1204 ND2 ASN A 72 -12.817 1.312 5.947 1.00 0.00 N ATOM 0 H ASN A 72 -10.857 0.556 1.673 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.102 -0.429 4.272 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.056 1.914 3.995 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.267 1.893 2.728 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.506 1.471 6.682 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.937 0.844 6.165 1.00 0.00 H new ATOM 1211 N ASN A 73 -13.304 -1.506 4.633 1.00 0.00 N ATOM 1212 CA ASN A 73 -14.535 -2.269 4.810 1.00 0.00 C ATOM 1213 C ASN A 73 -14.651 -3.366 3.755 1.00 0.00 C ATOM 1214 O ASN A 73 -15.724 -3.594 3.196 1.00 0.00 O ATOM 1215 CB ASN A 73 -15.750 -1.342 4.734 1.00 0.00 C ATOM 1216 CG ASN A 73 -16.089 -0.723 6.076 1.00 0.00 C ATOM 1217 OD1 ASN A 73 -15.285 -0.755 7.008 1.00 0.00 O ATOM 1218 ND2 ASN A 73 -17.284 -0.154 6.180 1.00 0.00 N ATOM 0 H ASN A 73 -12.659 -1.557 5.421 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.505 -2.737 5.794 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.555 -0.550 4.011 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.610 -1.903 4.368 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.568 0.280 7.058 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -17.919 -0.151 5.381 1.00 0.00 H new ATOM 1225 N LYS A 74 -13.539 -4.043 3.489 1.00 0.00 N ATOM 1226 CA LYS A 74 -13.514 -5.117 2.503 1.00 0.00 C ATOM 1227 C LYS A 74 -12.584 -6.242 2.947 1.00 0.00 C ATOM 1228 O LYS A 74 -11.661 -6.022 3.730 1.00 0.00 O ATOM 1229 CB LYS A 74 -13.067 -4.578 1.142 1.00 0.00 C ATOM 1230 CG LYS A 74 -13.264 -5.564 0.004 1.00 0.00 C ATOM 1231 CD LYS A 74 -14.734 -5.738 -0.336 1.00 0.00 C ATOM 1232 CE LYS A 74 -15.222 -4.647 -1.278 1.00 0.00 C ATOM 1233 NZ LYS A 74 -14.525 -4.698 -2.593 1.00 0.00 N ATOM 0 H LYS A 74 -12.643 -3.867 3.943 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.524 -5.518 2.414 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.622 -3.666 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.013 -4.305 1.197 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.725 -5.216 -0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.837 -6.528 0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.889 -6.714 -0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.325 -5.720 0.580 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -16.296 -4.753 -1.432 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.061 -3.672 -0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.128 -4.267 -3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.629 -4.174 -2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.331 -5.688 -2.845 1.00 0.00 H new ATOM 1247 N GLN A 75 -12.834 -7.445 2.440 1.00 0.00 N ATOM 1248 CA GLN A 75 -12.018 -8.603 2.785 1.00 0.00 C ATOM 1249 C GLN A 75 -10.992 -8.890 1.694 1.00 0.00 C ATOM 1250 O GLN A 75 -11.350 -9.168 0.548 1.00 0.00 O ATOM 1251 CB GLN A 75 -12.904 -9.830 3.005 1.00 0.00 C ATOM 1252 CG GLN A 75 -13.955 -9.636 4.086 1.00 0.00 C ATOM 1253 CD GLN A 75 -15.140 -10.568 3.922 1.00 0.00 C ATOM 1254 OE1 GLN A 75 -15.081 -11.737 4.302 1.00 0.00 O ATOM 1255 NE2 GLN A 75 -16.224 -10.053 3.353 1.00 0.00 N ATOM 0 H GLN A 75 -13.594 -7.643 1.790 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.485 -8.379 3.709 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.401 -10.082 2.068 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.275 -10.679 3.270 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.501 -9.801 5.063 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.304 -8.604 4.067 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.228 -9.078 3.053 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.052 -10.632 3.216 1.00 0.00 H new ATOM 1264 N LEU A 76 -9.716 -8.821 2.055 1.00 0.00 N ATOM 1265 CA LEU A 76 -8.637 -9.074 1.106 1.00 0.00 C ATOM 1266 C LEU A 76 -7.710 -10.173 1.616 1.00 0.00 C ATOM 1267 O LEU A 76 -7.231 -10.120 2.749 1.00 0.00 O ATOM 1268 CB LEU A 76 -7.839 -7.793 0.858 1.00 0.00 C ATOM 1269 CG LEU A 76 -8.469 -6.786 -0.106 1.00 0.00 C ATOM 1270 CD1 LEU A 76 -9.539 -5.969 0.600 1.00 0.00 C ATOM 1271 CD2 LEU A 76 -7.403 -5.875 -0.697 1.00 0.00 C ATOM 0 H LEU A 76 -9.403 -8.592 2.998 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.082 -9.405 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.678 -7.298 1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.857 -8.069 0.473 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.940 -7.337 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.976 -5.258 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.317 -6.634 0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.092 -5.428 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.869 -5.165 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.903 -5.332 0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.672 -6.475 -1.240 1.00 0.00 H new ATOM 1283 N PHE A 77 -7.460 -11.168 0.770 1.00 0.00 N ATOM 1284 CA PHE A 77 -6.589 -12.279 1.134 1.00 0.00 C ATOM 1285 C PHE A 77 -7.096 -12.977 2.393 1.00 0.00 C ATOM 1286 O PHE A 77 -6.310 -13.467 3.203 1.00 0.00 O ATOM 1287 CB PHE A 77 -5.158 -11.783 1.353 1.00 0.00 C ATOM 1288 CG PHE A 77 -4.424 -11.487 0.077 1.00 0.00 C ATOM 1289 CD1 PHE A 77 -4.731 -10.360 -0.669 1.00 0.00 C ATOM 1290 CD2 PHE A 77 -3.428 -12.336 -0.378 1.00 0.00 C ATOM 1291 CE1 PHE A 77 -4.057 -10.086 -1.844 1.00 0.00 C ATOM 1292 CE2 PHE A 77 -2.751 -12.067 -1.552 1.00 0.00 C ATOM 1293 CZ PHE A 77 -3.065 -10.940 -2.286 1.00 0.00 C ATOM 0 H PHE A 77 -7.848 -11.227 -0.171 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.595 -12.997 0.314 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.184 -10.881 1.965 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.604 -12.534 1.916 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.505 -9.689 -0.328 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.178 -13.219 0.192 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.306 -9.205 -2.416 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.977 -12.737 -1.895 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.536 -10.727 -3.203 1.00 0.00 H new ATOM 1303 N GLY A 78 -8.415 -13.018 2.550 1.00 0.00 N ATOM 1304 CA GLY A 78 -9.005 -13.657 3.711 1.00 0.00 C ATOM 1305 C GLY A 78 -8.670 -12.937 5.002 1.00 0.00 C ATOM 1306 O GLY A 78 -8.151 -13.540 5.941 1.00 0.00 O ATOM 0 H GLY A 78 -9.086 -12.620 1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.088 -13.695 3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.655 -14.687 3.772 1.00 0.00 H new ATOM 1310 N ARG A 79 -8.966 -11.642 5.049 1.00 0.00 N ATOM 1311 CA ARG A 79 -8.690 -10.837 6.233 1.00 0.00 C ATOM 1312 C ARG A 79 -9.263 -9.432 6.081 1.00 0.00 C ATOM 1313 O ARG A 79 -8.833 -8.664 5.221 1.00 0.00 O ATOM 1314 CB ARG A 79 -7.183 -10.761 6.484 1.00 0.00 C ATOM 1315 CG ARG A 79 -6.354 -10.732 5.210 1.00 0.00 C ATOM 1316 CD ARG A 79 -4.898 -11.072 5.486 1.00 0.00 C ATOM 1317 NE ARG A 79 -4.656 -12.512 5.455 1.00 0.00 N ATOM 1318 CZ ARG A 79 -3.645 -13.101 6.084 1.00 0.00 C ATOM 1319 NH1 ARG A 79 -2.788 -12.378 6.791 1.00 0.00 N ATOM 1320 NH2 ARG A 79 -3.492 -14.417 6.008 1.00 0.00 N ATOM 0 H ARG A 79 -9.397 -11.128 4.281 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.170 -11.315 7.087 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.965 -9.868 7.069 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.880 -11.618 7.085 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.765 -11.441 4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.418 -9.744 4.755 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.265 -10.582 4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.612 -10.677 6.461 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.298 -13.097 4.921 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.904 -11.367 6.853 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.013 -12.833 7.273 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.151 -14.977 5.466 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.716 -14.869 6.491 1.00 0.00 H new ATOM 1334 N VAL A 80 -10.238 -9.101 6.923 1.00 0.00 N ATOM 1335 CA VAL A 80 -10.870 -7.788 6.883 1.00 0.00 C ATOM 1336 C VAL A 80 -9.841 -6.677 7.061 1.00 0.00 C ATOM 1337 O VAL A 80 -9.467 -6.338 8.184 1.00 0.00 O ATOM 1338 CB VAL A 80 -11.950 -7.651 7.973 1.00 0.00 C ATOM 1339 CG1 VAL A 80 -12.599 -6.277 7.912 1.00 0.00 C ATOM 1340 CG2 VAL A 80 -12.993 -8.750 7.829 1.00 0.00 C ATOM 0 H VAL A 80 -10.607 -9.725 7.641 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.338 -7.692 5.903 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.474 -7.758 8.948 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.359 -6.199 8.689 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.841 -5.509 8.067 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.063 -6.137 6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.749 -8.639 8.607 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.466 -8.676 6.850 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.512 -9.723 7.927 1.00 0.00 H new ATOM 1350 N ILE A 81 -9.388 -6.114 5.946 1.00 0.00 N ATOM 1351 CA ILE A 81 -8.403 -5.040 5.979 1.00 0.00 C ATOM 1352 C ILE A 81 -9.048 -3.715 6.371 1.00 0.00 C ATOM 1353 O ILE A 81 -10.127 -3.370 5.890 1.00 0.00 O ATOM 1354 CB ILE A 81 -7.704 -4.875 4.617 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -6.969 -6.162 4.237 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -6.739 -3.700 4.656 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -5.888 -5.957 3.199 1.00 0.00 C ATOM 0 H ILE A 81 -9.687 -6.384 5.009 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.660 -5.316 6.728 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.461 -4.674 3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.524 -6.594 5.133 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.692 -6.885 3.859 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.253 -3.596 3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.287 -2.787 4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.985 -3.874 5.423 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.410 -6.911 2.978 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.330 -5.554 2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.144 -5.258 3.582 1.00 0.00 H new ATOM 1369 N LYS A 82 -8.378 -2.973 7.247 1.00 0.00 N ATOM 1370 CA LYS A 82 -8.883 -1.683 7.702 1.00 0.00 C ATOM 1371 C LYS A 82 -7.996 -0.546 7.205 1.00 0.00 C ATOM 1372 O LYS A 82 -6.802 -0.504 7.499 1.00 0.00 O ATOM 1373 CB LYS A 82 -8.960 -1.653 9.230 1.00 0.00 C ATOM 1374 CG LYS A 82 -9.337 -2.989 9.846 1.00 0.00 C ATOM 1375 CD LYS A 82 -10.572 -3.579 9.186 1.00 0.00 C ATOM 1376 CE LYS A 82 -11.847 -3.125 9.881 1.00 0.00 C ATOM 1377 NZ LYS A 82 -12.046 -3.820 11.183 1.00 0.00 N ATOM 0 H LYS A 82 -7.484 -3.243 7.656 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.883 -1.547 7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.995 -1.338 9.628 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.690 -0.903 9.534 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.503 -3.684 9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.520 -2.860 10.913 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.602 -3.282 8.138 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.512 -4.667 9.207 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.807 -2.048 10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.702 -3.316 9.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.016 -3.656 11.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.891 -4.841 11.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.370 -3.449 11.881 1.00 0.00 H new ATOM 1391 N ALA A 83 -8.588 0.375 6.452 1.00 0.00 N ATOM 1392 CA ALA A 83 -7.853 1.514 5.918 1.00 0.00 C ATOM 1393 C ALA A 83 -8.344 2.821 6.531 1.00 0.00 C ATOM 1394 O ALA A 83 -9.502 2.933 6.933 1.00 0.00 O ATOM 1395 CB ALA A 83 -7.978 1.560 4.402 1.00 0.00 C ATOM 0 H ALA A 83 -9.576 0.354 6.198 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.802 1.392 6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.424 2.416 4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.571 0.643 3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.028 1.654 4.126 1.00 0.00 H new ATOM 1401 N SER A 84 -7.456 3.808 6.600 1.00 0.00 N ATOM 1402 CA SER A 84 -7.798 5.106 7.169 1.00 0.00 C ATOM 1403 C SER A 84 -6.718 6.137 6.858 1.00 0.00 C ATOM 1404 O SER A 84 -5.525 5.860 6.986 1.00 0.00 O ATOM 1405 CB SER A 84 -7.988 4.990 8.682 1.00 0.00 C ATOM 1406 OG SER A 84 -6.822 4.476 9.304 1.00 0.00 O ATOM 0 H SER A 84 -6.494 3.733 6.269 1.00 0.00 H new ATOM 0 HA SER A 84 -8.733 5.438 6.718 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.225 5.969 9.098 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.836 4.339 8.897 1.00 0.00 H new ATOM 0 HG SER A 84 -6.968 4.413 10.271 1.00 0.00 H new ATOM 1412 N ILE A 85 -7.145 7.327 6.448 1.00 0.00 N ATOM 1413 CA ILE A 85 -6.215 8.401 6.120 1.00 0.00 C ATOM 1414 C ILE A 85 -5.335 8.751 7.315 1.00 0.00 C ATOM 1415 O ILE A 85 -5.795 9.364 8.278 1.00 0.00 O ATOM 1416 CB ILE A 85 -6.958 9.667 5.655 1.00 0.00 C ATOM 1417 CG1 ILE A 85 -7.811 9.361 4.423 1.00 0.00 C ATOM 1418 CG2 ILE A 85 -5.968 10.783 5.357 1.00 0.00 C ATOM 1419 CD1 ILE A 85 -7.054 8.646 3.326 1.00 0.00 C ATOM 0 H ILE A 85 -8.129 7.572 6.335 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.589 8.038 5.305 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.618 9.998 6.457 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.662 8.750 4.723 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.212 10.294 4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.509 11.671 5.029 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.400 11.016 6.258 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.285 10.463 4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.721 8.461 2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.218 9.264 2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.676 7.696 3.704 1.00 0.00 H new ATOM 1431 N ALA A 86 -4.067 8.358 7.245 1.00 0.00 N ATOM 1432 CA ALA A 86 -3.122 8.634 8.320 1.00 0.00 C ATOM 1433 C ALA A 86 -2.877 10.132 8.465 1.00 0.00 C ATOM 1434 O ALA A 86 -2.075 10.713 7.734 1.00 0.00 O ATOM 1435 CB ALA A 86 -1.810 7.905 8.068 1.00 0.00 C ATOM 0 H ALA A 86 -3.671 7.848 6.456 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.554 8.271 9.253 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.113 8.120 8.878 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.993 6.832 8.022 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.383 8.241 7.123 1.00 0.00 H new ATOM 1441 N ILE A 87 -3.575 10.751 9.412 1.00 0.00 N ATOM 1442 CA ILE A 87 -3.432 12.182 9.652 1.00 0.00 C ATOM 1443 C ILE A 87 -3.434 12.491 11.145 1.00 0.00 C ATOM 1444 O ILE A 87 -4.019 11.757 11.941 1.00 0.00 O ATOM 1445 CB ILE A 87 -4.559 12.982 8.972 1.00 0.00 C ATOM 1446 CG1 ILE A 87 -5.926 12.465 9.424 1.00 0.00 C ATOM 1447 CG2 ILE A 87 -4.429 12.898 7.458 1.00 0.00 C ATOM 1448 CD1 ILE A 87 -6.421 13.104 10.703 1.00 0.00 C ATOM 0 H ILE A 87 -4.244 10.285 10.025 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.476 12.481 9.223 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.471 14.028 9.267 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.653 12.645 8.632 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.869 11.386 9.565 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -5.232 13.468 6.992 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.467 13.309 7.152 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.494 11.856 7.144 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.395 12.690 10.963 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.714 12.902 11.508 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.511 14.181 10.561 1.00 0.00 H new TER 1460 ILE A 87