USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 944 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 40 LYS NZ :NH3+ -133:sc= 0.745 (180deg=0) USER MOD Set 1.2: A 91 GLN : amide:sc= -1.88! C(o=-1.1!,f=-12!) USER MOD Set 2.1: A 56 ASN : amide:sc= -1.11 K(o=-2.9,f=-4.5!) USER MOD Set 2.2: A 75 THR OG1 : rot 180:sc= 0.009 USER MOD Set 2.3: A 77 ASN : amide:sc= -1.84 K(o=-2.9,f=-10!) USER MOD Set 3.1: A 37 CYS SG : rot 140:sc= 0.605 USER MOD Set 3.2: A 43 THR OG1 : rot -117:sc= 0.713 USER MOD Set 4.1: A 42 SER OG : rot 180:sc= 0.0128 USER MOD Set 4.2: A 44 GLN : amide:sc= -2.73 K(o=-2.7,f=-2.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -55:sc= 0.217 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0813 K(o=-0.081,f=-6.4!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00124 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00119) USER MOD Single : A 51 ASN : amide:sc= -2.2! C(o=-2.2!,f=-6.4!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -2.09! K(o=-2.1!,f=-1.4) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 5:sc= 0.743 USER MOD Single : A 81 SER OG : rot 180:sc= -0.0477 USER MOD Single : A 82 MET CE :methyl 138:sc= -0.998 (180deg=-1.38) USER MOD Single : A 83 GLN : amide:sc= -3.12! C(o=-3.1!,f=-4.1!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.45) USER MOD Single : A 97 SER OG : rot 37:sc= 0.104 USER MOD Single : A 103 CYS SG : rot 180:sc= -1.41 USER MOD Single : A 104 TYR OH : rot 130:sc= -3.32! USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl -155:sc= -0.228 (180deg=-1.33!) USER MOD Single : A 122 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.713 20.977 17.129 1.00 0.00 N ATOM 2 CA GLY A 1 -15.027 20.765 16.552 1.00 0.00 C ATOM 3 C GLY A 1 -15.199 19.363 16.002 1.00 0.00 C ATOM 4 O GLY A 1 -14.442 18.933 15.131 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.646 21.950 17.491 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.564 20.306 17.910 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.986 20.827 16.401 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.788 20.950 17.310 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.191 21.488 15.753 1.00 0.00 H new ATOM 8 N SER A 2 -16.195 18.646 16.512 1.00 0.00 N ATOM 9 CA SER A 2 -16.460 17.282 16.070 1.00 0.00 C ATOM 10 C SER A 2 -17.357 17.275 14.836 1.00 0.00 C ATOM 11 O SER A 2 -17.100 16.555 13.872 1.00 0.00 O ATOM 12 CB SER A 2 -17.115 16.477 17.195 1.00 0.00 C ATOM 13 OG SER A 2 -16.940 15.085 16.994 1.00 0.00 O ATOM 0 H SER A 2 -16.832 18.987 17.232 1.00 0.00 H new ATOM 0 HA SER A 2 -15.508 16.820 15.808 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.683 16.767 18.153 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.179 16.710 17.242 1.00 0.00 H new ATOM 0 HG SER A 2 -17.366 14.593 17.727 1.00 0.00 H new ATOM 19 N SER A 3 -18.412 18.083 14.874 1.00 0.00 N ATOM 20 CA SER A 3 -19.350 18.169 13.761 1.00 0.00 C ATOM 21 C SER A 3 -20.057 16.835 13.543 1.00 0.00 C ATOM 22 O SER A 3 -20.243 16.396 12.409 1.00 0.00 O ATOM 23 CB SER A 3 -18.621 18.587 12.483 1.00 0.00 C ATOM 24 OG SER A 3 -19.540 18.963 11.472 1.00 0.00 O ATOM 0 H SER A 3 -18.638 18.687 15.664 1.00 0.00 H new ATOM 0 HA SER A 3 -20.099 18.922 14.006 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.951 19.420 12.698 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.002 17.763 12.128 1.00 0.00 H new ATOM 0 HG SER A 3 -20.175 18.232 11.319 1.00 0.00 H new ATOM 30 N GLY A 4 -20.450 16.194 14.640 1.00 0.00 N ATOM 31 CA GLY A 4 -21.132 14.916 14.549 1.00 0.00 C ATOM 32 C GLY A 4 -20.268 13.841 13.921 1.00 0.00 C ATOM 33 O GLY A 4 -19.325 14.142 13.189 1.00 0.00 O ATOM 0 H GLY A 4 -20.308 16.537 15.590 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.435 14.598 15.546 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.043 15.035 13.962 1.00 0.00 H new ATOM 37 N SER A 5 -20.589 12.584 14.207 1.00 0.00 N ATOM 38 CA SER A 5 -19.831 11.460 13.669 1.00 0.00 C ATOM 39 C SER A 5 -20.281 11.131 12.249 1.00 0.00 C ATOM 40 O SER A 5 -21.434 10.767 12.020 1.00 0.00 O ATOM 41 CB SER A 5 -19.996 10.231 14.565 1.00 0.00 C ATOM 42 OG SER A 5 -19.081 9.210 14.205 1.00 0.00 O ATOM 0 H SER A 5 -21.369 12.318 14.808 1.00 0.00 H new ATOM 0 HA SER A 5 -18.779 11.743 13.642 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.840 10.513 15.606 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.016 9.854 14.486 1.00 0.00 H new ATOM 0 HG SER A 5 -19.206 8.436 14.794 1.00 0.00 H new ATOM 48 N SER A 6 -19.362 11.264 11.298 1.00 0.00 N ATOM 49 CA SER A 6 -19.663 10.986 9.899 1.00 0.00 C ATOM 50 C SER A 6 -18.835 9.811 9.388 1.00 0.00 C ATOM 51 O SER A 6 -19.295 9.026 8.560 1.00 0.00 O ATOM 52 CB SER A 6 -19.396 12.224 9.041 1.00 0.00 C ATOM 53 OG SER A 6 -18.026 12.586 9.082 1.00 0.00 O ATOM 0 H SER A 6 -18.402 11.563 11.471 1.00 0.00 H new ATOM 0 HA SER A 6 -20.718 10.723 9.826 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.693 12.028 8.011 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.006 13.055 9.396 1.00 0.00 H new ATOM 0 HG SER A 6 -17.880 13.379 8.525 1.00 0.00 H new ATOM 59 N GLY A 7 -17.609 9.696 9.890 1.00 0.00 N ATOM 60 CA GLY A 7 -16.735 8.615 9.473 1.00 0.00 C ATOM 61 C GLY A 7 -17.469 7.295 9.341 1.00 0.00 C ATOM 62 O GLY A 7 -17.778 6.644 10.339 1.00 0.00 O ATOM 0 H GLY A 7 -17.206 10.332 10.578 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.277 8.870 8.517 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.926 8.507 10.195 1.00 0.00 H new ATOM 66 N THR A 8 -17.750 6.898 8.103 1.00 0.00 N ATOM 67 CA THR A 8 -18.455 5.649 7.843 1.00 0.00 C ATOM 68 C THR A 8 -17.503 4.580 7.319 1.00 0.00 C ATOM 69 O THR A 8 -17.933 3.584 6.739 1.00 0.00 O ATOM 70 CB THR A 8 -19.595 5.848 6.827 1.00 0.00 C ATOM 71 OG1 THR A 8 -19.067 6.333 5.587 1.00 0.00 O ATOM 72 CG2 THR A 8 -20.631 6.826 7.360 1.00 0.00 C ATOM 0 H THR A 8 -17.500 7.424 7.265 1.00 0.00 H new ATOM 0 HA THR A 8 -18.878 5.321 8.792 1.00 0.00 H new ATOM 0 HB THR A 8 -20.078 4.885 6.664 1.00 0.00 H new ATOM 0 HG1 THR A 8 -19.798 6.455 4.946 1.00 0.00 H new ATOM 0 HG21 THR A 8 -21.426 6.950 6.625 1.00 0.00 H new ATOM 0 HG22 THR A 8 -21.052 6.440 8.288 1.00 0.00 H new ATOM 0 HG23 THR A 8 -20.158 7.790 7.549 1.00 0.00 H new ATOM 80 N GLU A 9 -16.207 4.793 7.528 1.00 0.00 N ATOM 81 CA GLU A 9 -15.195 3.846 7.076 1.00 0.00 C ATOM 82 C GLU A 9 -15.033 2.704 8.075 1.00 0.00 C ATOM 83 O GLU A 9 -14.111 1.896 7.966 1.00 0.00 O ATOM 84 CB GLU A 9 -13.854 4.556 6.875 1.00 0.00 C ATOM 85 CG GLU A 9 -13.215 5.027 8.170 1.00 0.00 C ATOM 86 CD GLU A 9 -11.754 5.398 7.999 1.00 0.00 C ATOM 87 OE1 GLU A 9 -11.478 6.553 7.615 1.00 0.00 O ATOM 88 OE2 GLU A 9 -10.889 4.533 8.248 1.00 0.00 O ATOM 0 H GLU A 9 -15.834 5.613 8.007 1.00 0.00 H new ATOM 0 HA GLU A 9 -15.524 3.429 6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.167 3.880 6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.001 5.414 6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.763 5.890 8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.301 4.241 8.920 1.00 0.00 H new ATOM 95 N ARG A 10 -15.936 2.645 9.048 1.00 0.00 N ATOM 96 CA ARG A 10 -15.894 1.603 10.068 1.00 0.00 C ATOM 97 C ARG A 10 -15.911 0.217 9.430 1.00 0.00 C ATOM 98 O ARG A 10 -16.471 0.028 8.350 1.00 0.00 O ATOM 99 CB ARG A 10 -17.076 1.750 11.027 1.00 0.00 C ATOM 100 CG ARG A 10 -16.849 2.782 12.120 1.00 0.00 C ATOM 101 CD ARG A 10 -17.817 2.590 13.277 1.00 0.00 C ATOM 102 NE ARG A 10 -19.188 2.929 12.906 1.00 0.00 N ATOM 103 CZ ARG A 10 -20.242 2.670 13.672 1.00 0.00 C ATOM 104 NH1 ARG A 10 -20.082 2.072 14.845 1.00 0.00 N ATOM 105 NH2 ARG A 10 -21.459 3.009 13.265 1.00 0.00 N ATOM 0 H ARG A 10 -16.706 3.306 9.152 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.966 1.715 10.628 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -17.963 2.026 10.457 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.281 0.784 11.488 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.825 2.708 12.485 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -16.968 3.784 11.707 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -17.778 1.554 13.614 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.505 3.210 14.117 1.00 0.00 H new ATOM 0 HE ARG A 10 -19.345 3.390 12.010 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -19.148 1.810 15.161 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -20.893 1.874 15.431 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -21.586 3.469 12.363 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -22.268 2.810 13.854 1.00 0.00 H new ATOM 119 N GLU A 11 -15.295 -0.747 10.106 1.00 0.00 N ATOM 120 CA GLU A 11 -15.239 -2.115 9.604 1.00 0.00 C ATOM 121 C GLU A 11 -15.212 -3.117 10.755 1.00 0.00 C ATOM 122 O GLU A 11 -14.444 -2.967 11.706 1.00 0.00 O ATOM 123 CB GLU A 11 -14.007 -2.307 8.717 1.00 0.00 C ATOM 124 CG GLU A 11 -14.077 -1.544 7.405 1.00 0.00 C ATOM 125 CD GLU A 11 -12.829 -1.719 6.561 1.00 0.00 C ATOM 126 OE1 GLU A 11 -11.783 -1.142 6.922 1.00 0.00 O ATOM 127 OE2 GLU A 11 -12.900 -2.434 5.539 1.00 0.00 O ATOM 0 H GLU A 11 -14.828 -0.607 11.002 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.136 -2.294 9.011 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.121 -1.988 9.266 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.885 -3.369 8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.945 -1.882 6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.225 -0.484 7.613 1.00 0.00 H new ATOM 134 N LYS A 12 -16.056 -4.139 10.663 1.00 0.00 N ATOM 135 CA LYS A 12 -16.129 -5.166 11.694 1.00 0.00 C ATOM 136 C LYS A 12 -16.530 -6.511 11.096 1.00 0.00 C ATOM 137 O LYS A 12 -17.667 -6.693 10.659 1.00 0.00 O ATOM 138 CB LYS A 12 -17.131 -4.760 12.778 1.00 0.00 C ATOM 139 CG LYS A 12 -16.519 -3.922 13.887 1.00 0.00 C ATOM 140 CD LYS A 12 -16.082 -4.783 15.060 1.00 0.00 C ATOM 141 CE LYS A 12 -14.612 -5.159 14.958 1.00 0.00 C ATOM 142 NZ LYS A 12 -14.329 -6.474 15.598 1.00 0.00 N ATOM 0 H LYS A 12 -16.699 -4.278 9.884 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.140 -5.267 12.141 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.945 -4.200 12.318 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -17.568 -5.659 13.212 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -15.661 -3.373 13.498 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.244 -3.182 14.227 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -16.257 -4.246 15.992 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.689 -5.688 15.094 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.319 -5.195 13.909 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.006 -4.387 15.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.317 -6.694 15.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.585 -6.432 16.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.888 -7.216 15.129 1.00 0.00 H new ATOM 156 N PHE A 13 -15.590 -7.450 11.079 1.00 0.00 N ATOM 157 CA PHE A 13 -15.846 -8.778 10.535 1.00 0.00 C ATOM 158 C PHE A 13 -16.325 -9.731 11.626 1.00 0.00 C ATOM 159 O PHE A 13 -15.537 -10.192 12.452 1.00 0.00 O ATOM 160 CB PHE A 13 -14.582 -9.335 9.875 1.00 0.00 C ATOM 161 CG PHE A 13 -14.383 -8.859 8.465 1.00 0.00 C ATOM 162 CD1 PHE A 13 -15.363 -9.062 7.506 1.00 0.00 C ATOM 163 CD2 PHE A 13 -13.217 -8.209 8.097 1.00 0.00 C ATOM 164 CE1 PHE A 13 -15.182 -8.627 6.207 1.00 0.00 C ATOM 165 CE2 PHE A 13 -13.030 -7.771 6.799 1.00 0.00 C ATOM 166 CZ PHE A 13 -14.015 -7.979 5.854 1.00 0.00 C ATOM 0 H PHE A 13 -14.644 -7.316 11.436 1.00 0.00 H new ATOM 0 HA PHE A 13 -16.631 -8.689 9.784 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -13.715 -9.051 10.472 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -14.629 -10.424 9.879 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -16.279 -9.566 7.777 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -12.444 -8.042 8.833 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -15.952 -8.794 5.469 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.115 -7.267 6.525 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.873 -7.635 4.840 1.00 0.00 H new ATOM 176 N ILE A 14 -17.622 -10.021 11.623 1.00 0.00 N ATOM 177 CA ILE A 14 -18.207 -10.918 12.612 1.00 0.00 C ATOM 178 C ILE A 14 -19.044 -12.003 11.943 1.00 0.00 C ATOM 179 O ILE A 14 -19.828 -11.726 11.035 1.00 0.00 O ATOM 180 CB ILE A 14 -19.087 -10.152 13.616 1.00 0.00 C ATOM 181 CG1 ILE A 14 -18.260 -9.094 14.350 1.00 0.00 C ATOM 182 CG2 ILE A 14 -19.723 -11.116 14.606 1.00 0.00 C ATOM 183 CD1 ILE A 14 -17.116 -9.673 15.152 1.00 0.00 C ATOM 0 H ILE A 14 -18.288 -9.648 10.946 1.00 0.00 H new ATOM 0 HA ILE A 14 -17.378 -11.381 13.148 1.00 0.00 H new ATOM 0 HB ILE A 14 -19.883 -9.647 13.068 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -17.862 -8.386 13.623 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -18.913 -8.532 15.017 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -20.342 -10.559 15.309 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -20.341 -11.835 14.068 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -18.942 -11.646 15.151 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -16.573 -8.867 15.646 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -17.508 -10.359 15.903 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -16.441 -10.211 14.487 1.00 0.00 H new ATOM 195 N VAL A 15 -18.873 -13.240 12.398 1.00 0.00 N ATOM 196 CA VAL A 15 -19.614 -14.367 11.846 1.00 0.00 C ATOM 197 C VAL A 15 -20.575 -14.951 12.877 1.00 0.00 C ATOM 198 O VAL A 15 -20.307 -14.955 14.078 1.00 0.00 O ATOM 199 CB VAL A 15 -18.666 -15.478 11.358 1.00 0.00 C ATOM 200 CG1 VAL A 15 -17.789 -14.971 10.223 1.00 0.00 C ATOM 201 CG2 VAL A 15 -17.817 -15.997 12.508 1.00 0.00 C ATOM 0 H VAL A 15 -18.227 -13.487 13.148 1.00 0.00 H new ATOM 0 HA VAL A 15 -20.182 -13.986 10.997 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.267 -16.304 10.979 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -17.126 -15.770 9.891 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -18.418 -14.653 9.392 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -17.194 -14.127 10.572 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.153 -16.782 12.145 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.223 -15.181 12.919 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -18.465 -16.401 13.285 1.00 0.00 H new ATOM 211 N PRO A 16 -21.721 -15.457 12.398 1.00 0.00 N ATOM 212 CA PRO A 16 -22.744 -16.054 13.260 1.00 0.00 C ATOM 213 C PRO A 16 -22.294 -17.382 13.860 1.00 0.00 C ATOM 214 O PRO A 16 -21.353 -18.006 13.371 1.00 0.00 O ATOM 215 CB PRO A 16 -23.927 -16.268 12.312 1.00 0.00 C ATOM 216 CG PRO A 16 -23.312 -16.383 10.960 1.00 0.00 C ATOM 217 CD PRO A 16 -22.105 -15.486 10.976 1.00 0.00 C ATOM 0 HA PRO A 16 -22.976 -15.420 14.116 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -24.484 -17.168 12.571 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -24.628 -15.434 12.359 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -23.029 -17.414 10.746 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -24.015 -16.078 10.185 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -21.303 -15.880 10.351 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -22.340 -14.489 10.603 1.00 0.00 H new ATOM 225 N ILE A 17 -22.973 -17.807 14.920 1.00 0.00 N ATOM 226 CA ILE A 17 -22.644 -19.062 15.585 1.00 0.00 C ATOM 227 C ILE A 17 -22.154 -20.102 14.583 1.00 0.00 C ATOM 228 O ILE A 17 -21.073 -20.670 14.739 1.00 0.00 O ATOM 229 CB ILE A 17 -23.855 -19.630 16.347 1.00 0.00 C ATOM 230 CG1 ILE A 17 -24.395 -18.594 17.335 1.00 0.00 C ATOM 231 CG2 ILE A 17 -23.471 -20.911 17.073 1.00 0.00 C ATOM 232 CD1 ILE A 17 -25.454 -17.689 16.743 1.00 0.00 C ATOM 0 H ILE A 17 -23.754 -17.301 15.337 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.848 -18.843 16.297 1.00 0.00 H new ATOM 0 HB ILE A 17 -24.640 -19.864 15.628 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -24.812 -19.111 18.199 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -23.568 -17.983 17.697 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -24.338 -21.300 17.607 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.128 -21.651 16.349 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -22.671 -20.701 17.783 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -25.791 -16.980 17.499 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -25.036 -17.145 15.896 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -26.299 -18.290 16.406 1.00 0.00 H new ATOM 244 N LYS A 18 -22.957 -20.347 13.553 1.00 0.00 N ATOM 245 CA LYS A 18 -22.605 -21.316 12.522 1.00 0.00 C ATOM 246 C LYS A 18 -22.606 -20.668 11.141 1.00 0.00 C ATOM 247 O LYS A 18 -23.656 -20.280 10.628 1.00 0.00 O ATOM 248 CB LYS A 18 -23.584 -22.493 12.545 1.00 0.00 C ATOM 249 CG LYS A 18 -23.199 -23.585 13.528 1.00 0.00 C ATOM 250 CD LYS A 18 -24.383 -24.476 13.863 1.00 0.00 C ATOM 251 CE LYS A 18 -24.081 -25.385 15.045 1.00 0.00 C ATOM 252 NZ LYS A 18 -23.341 -26.608 14.629 1.00 0.00 N ATOM 0 H LYS A 18 -23.856 -19.888 13.410 1.00 0.00 H new ATOM 0 HA LYS A 18 -21.600 -21.682 12.731 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -24.578 -22.123 12.797 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -23.647 -22.922 11.545 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -22.396 -24.189 13.106 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -22.812 -23.134 14.442 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -25.252 -23.858 14.091 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -24.641 -25.081 12.994 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -23.494 -24.838 15.783 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.014 -25.672 15.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -23.154 -27.201 15.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -23.912 -27.143 13.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -22.439 -26.335 14.189 1.00 0.00 H new ATOM 266 N ALA A 19 -21.424 -20.554 10.545 1.00 0.00 N ATOM 267 CA ALA A 19 -21.290 -19.956 9.223 1.00 0.00 C ATOM 268 C ALA A 19 -21.455 -21.004 8.127 1.00 0.00 C ATOM 269 O ALA A 19 -22.127 -20.766 7.123 1.00 0.00 O ATOM 270 CB ALA A 19 -19.943 -19.260 9.092 1.00 0.00 C ATOM 0 H ALA A 19 -20.545 -20.868 10.957 1.00 0.00 H new ATOM 0 HA ALA A 19 -22.082 -19.216 9.104 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -19.857 -18.818 8.099 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -19.863 -18.477 9.846 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.143 -19.986 9.237 1.00 0.00 H new ATOM 276 N ARG A 20 -20.836 -22.163 8.325 1.00 0.00 N ATOM 277 CA ARG A 20 -20.913 -23.246 7.352 1.00 0.00 C ATOM 278 C ARG A 20 -20.249 -22.845 6.038 1.00 0.00 C ATOM 279 O ARG A 20 -20.766 -23.127 4.958 1.00 0.00 O ATOM 280 CB ARG A 20 -22.371 -23.633 7.102 1.00 0.00 C ATOM 281 CG ARG A 20 -22.543 -25.041 6.556 1.00 0.00 C ATOM 282 CD ARG A 20 -24.011 -25.419 6.442 1.00 0.00 C ATOM 283 NE ARG A 20 -24.193 -26.731 5.826 1.00 0.00 N ATOM 284 CZ ARG A 20 -25.267 -27.489 6.015 1.00 0.00 C ATOM 285 NH1 ARG A 20 -26.250 -27.068 6.798 1.00 0.00 N ATOM 286 NH2 ARG A 20 -25.358 -28.672 5.420 1.00 0.00 N ATOM 0 H ARG A 20 -20.276 -22.376 9.150 1.00 0.00 H new ATOM 0 HA ARG A 20 -20.381 -24.106 7.760 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -22.927 -23.544 8.035 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -22.811 -22.924 6.400 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -22.071 -25.113 5.576 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -22.033 -25.750 7.208 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -24.463 -25.418 7.434 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -24.534 -24.666 5.853 1.00 0.00 H new ATOM 0 HE ARG A 20 -23.455 -27.084 5.217 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -26.183 -26.160 7.257 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -27.074 -27.652 6.941 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -24.603 -28.999 4.817 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -26.183 -29.254 5.565 1.00 0.00 H new ATOM 300 N GLY A 21 -19.100 -22.183 6.139 1.00 0.00 N ATOM 301 CA GLY A 21 -18.385 -21.753 4.952 1.00 0.00 C ATOM 302 C GLY A 21 -17.083 -21.050 5.282 1.00 0.00 C ATOM 303 O GLY A 21 -17.087 -19.953 5.839 1.00 0.00 O ATOM 0 H GLY A 21 -18.652 -21.937 7.022 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -18.178 -22.619 4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -19.020 -21.083 4.372 1.00 0.00 H new ATOM 307 N ALA A 22 -15.966 -21.683 4.939 1.00 0.00 N ATOM 308 CA ALA A 22 -14.652 -21.111 5.202 1.00 0.00 C ATOM 309 C ALA A 22 -14.258 -20.117 4.115 1.00 0.00 C ATOM 310 O ALA A 22 -14.449 -20.375 2.926 1.00 0.00 O ATOM 311 CB ALA A 22 -13.609 -22.213 5.315 1.00 0.00 C ATOM 0 H ALA A 22 -15.945 -22.593 4.478 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.701 -20.573 6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.632 -21.771 5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.875 -22.883 6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.572 -22.776 4.382 1.00 0.00 H new ATOM 317 N ARG A 23 -13.709 -18.980 4.529 1.00 0.00 N ATOM 318 CA ARG A 23 -13.290 -17.946 3.590 1.00 0.00 C ATOM 319 C ARG A 23 -11.916 -17.399 3.962 1.00 0.00 C ATOM 320 O ARG A 23 -11.671 -17.037 5.112 1.00 0.00 O ATOM 321 CB ARG A 23 -14.313 -16.809 3.561 1.00 0.00 C ATOM 322 CG ARG A 23 -15.729 -17.271 3.254 1.00 0.00 C ATOM 323 CD ARG A 23 -16.583 -16.132 2.719 1.00 0.00 C ATOM 324 NE ARG A 23 -17.924 -16.579 2.353 1.00 0.00 N ATOM 325 CZ ARG A 23 -18.980 -15.775 2.308 1.00 0.00 C ATOM 326 NH1 ARG A 23 -18.852 -14.490 2.606 1.00 0.00 N ATOM 327 NH2 ARG A 23 -20.168 -16.257 1.966 1.00 0.00 N ATOM 0 H ARG A 23 -13.544 -18.751 5.509 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.227 -18.394 2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.307 -16.301 4.525 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.009 -16.077 2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.699 -18.079 2.523 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -16.185 -17.676 4.158 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.655 -15.348 3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.097 -15.693 1.848 1.00 0.00 H new ATOM 0 HE ARG A 23 -18.057 -17.563 2.119 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.941 -14.116 2.871 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.665 -13.875 2.571 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -20.271 -17.246 1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -20.979 -15.639 1.932 1.00 0.00 H new ATOM 341 N ALA A 24 -11.022 -17.341 2.979 1.00 0.00 N ATOM 342 CA ALA A 24 -9.673 -16.836 3.202 1.00 0.00 C ATOM 343 C ALA A 24 -9.683 -15.330 3.445 1.00 0.00 C ATOM 344 O ALA A 24 -10.352 -14.582 2.731 1.00 0.00 O ATOM 345 CB ALA A 24 -8.780 -17.176 2.019 1.00 0.00 C ATOM 0 H ALA A 24 -11.208 -17.638 2.021 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.274 -17.318 4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.776 -16.793 2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.738 -18.258 1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.185 -16.721 1.115 1.00 0.00 H new ATOM 351 N ILE A 25 -8.940 -14.893 4.455 1.00 0.00 N ATOM 352 CA ILE A 25 -8.863 -13.477 4.791 1.00 0.00 C ATOM 353 C ILE A 25 -7.467 -13.101 5.274 1.00 0.00 C ATOM 354 O ILE A 25 -6.797 -13.887 5.944 1.00 0.00 O ATOM 355 CB ILE A 25 -9.889 -13.099 5.876 1.00 0.00 C ATOM 356 CG1 ILE A 25 -11.277 -13.624 5.501 1.00 0.00 C ATOM 357 CG2 ILE A 25 -9.922 -11.591 6.071 1.00 0.00 C ATOM 358 CD1 ILE A 25 -12.246 -13.652 6.663 1.00 0.00 C ATOM 0 H ILE A 25 -8.382 -15.500 5.056 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.090 -12.924 3.879 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.588 -13.561 6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.691 -13.001 4.708 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.179 -14.631 5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.652 -11.340 6.841 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.936 -11.242 6.378 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.202 -11.109 5.134 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.209 -14.035 6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.854 -14.299 7.448 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -12.374 -12.643 7.054 1.00 0.00 H new ATOM 370 N LEU A 26 -7.034 -11.892 4.931 1.00 0.00 N ATOM 371 CA LEU A 26 -5.717 -11.409 5.332 1.00 0.00 C ATOM 372 C LEU A 26 -5.837 -10.187 6.235 1.00 0.00 C ATOM 373 O LEU A 26 -6.938 -9.705 6.503 1.00 0.00 O ATOM 374 CB LEU A 26 -4.881 -11.065 4.098 1.00 0.00 C ATOM 375 CG LEU A 26 -4.134 -12.230 3.447 1.00 0.00 C ATOM 376 CD1 LEU A 26 -3.087 -12.789 4.398 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.108 -13.319 3.023 1.00 0.00 C ATOM 0 H LEU A 26 -7.576 -11.229 4.377 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.221 -12.203 5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.538 -10.619 3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.153 -10.304 4.378 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.626 -11.859 2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.565 -13.617 3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.371 -12.007 4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.573 -13.144 5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.558 -14.139 2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.645 -13.688 3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.820 -12.911 2.306 1.00 0.00 H new ATOM 389 N ASP A 27 -4.698 -9.688 6.702 1.00 0.00 N ATOM 390 CA ASP A 27 -4.674 -8.519 7.573 1.00 0.00 C ATOM 391 C ASP A 27 -3.855 -7.393 6.950 1.00 0.00 C ATOM 392 O ASP A 27 -2.625 -7.418 6.976 1.00 0.00 O ATOM 393 CB ASP A 27 -4.099 -8.887 8.941 1.00 0.00 C ATOM 394 CG ASP A 27 -4.080 -7.711 9.897 1.00 0.00 C ATOM 395 OD1 ASP A 27 -3.158 -6.874 9.789 1.00 0.00 O ATOM 396 OD2 ASP A 27 -4.985 -7.626 10.753 1.00 0.00 O ATOM 0 H ASP A 27 -3.778 -10.075 6.492 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.699 -8.171 7.700 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.689 -9.694 9.375 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.085 -9.266 8.815 1.00 0.00 H new ATOM 401 N PHE A 28 -4.546 -6.406 6.388 1.00 0.00 N ATOM 402 CA PHE A 28 -3.883 -5.271 5.756 1.00 0.00 C ATOM 403 C PHE A 28 -4.341 -3.957 6.380 1.00 0.00 C ATOM 404 O PHE A 28 -5.500 -3.793 6.763 1.00 0.00 O ATOM 405 CB PHE A 28 -4.166 -5.261 4.252 1.00 0.00 C ATOM 406 CG PHE A 28 -3.266 -6.171 3.467 1.00 0.00 C ATOM 407 CD1 PHE A 28 -3.465 -7.543 3.478 1.00 0.00 C ATOM 408 CD2 PHE A 28 -2.221 -5.656 2.717 1.00 0.00 C ATOM 409 CE1 PHE A 28 -2.637 -8.382 2.756 1.00 0.00 C ATOM 410 CE2 PHE A 28 -1.391 -6.491 1.993 1.00 0.00 C ATOM 411 CZ PHE A 28 -1.600 -7.856 2.012 1.00 0.00 C ATOM 0 H PHE A 28 -5.565 -6.369 6.357 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.810 -5.374 5.916 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.202 -5.554 4.083 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.057 -4.243 3.877 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.276 -7.961 4.057 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.053 -4.589 2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.801 -9.449 2.774 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.580 -6.076 1.413 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.954 -8.510 1.446 1.00 0.00 H new ATOM 421 N PRO A 29 -3.411 -2.996 6.486 1.00 0.00 N ATOM 422 CA PRO A 29 -3.694 -1.679 7.063 1.00 0.00 C ATOM 423 C PRO A 29 -4.601 -0.838 6.170 1.00 0.00 C ATOM 424 O PRO A 29 -4.758 -1.125 4.984 1.00 0.00 O ATOM 425 CB PRO A 29 -2.310 -1.036 7.176 1.00 0.00 C ATOM 426 CG PRO A 29 -1.491 -1.714 6.133 1.00 0.00 C ATOM 427 CD PRO A 29 -2.010 -3.123 6.050 1.00 0.00 C ATOM 0 HA PRO A 29 -4.222 -1.755 8.013 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.358 0.039 7.005 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.886 -1.182 8.169 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.584 -1.207 5.173 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.434 -1.703 6.398 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.939 -3.519 5.037 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.448 -3.797 6.696 1.00 0.00 H new ATOM 435 N ASP A 30 -5.194 0.200 6.748 1.00 0.00 N ATOM 436 CA ASP A 30 -6.084 1.084 6.004 1.00 0.00 C ATOM 437 C ASP A 30 -5.351 1.736 4.836 1.00 0.00 C ATOM 438 O ASP A 30 -5.892 1.853 3.737 1.00 0.00 O ATOM 439 CB ASP A 30 -6.657 2.160 6.927 1.00 0.00 C ATOM 440 CG ASP A 30 -7.520 1.578 8.030 1.00 0.00 C ATOM 441 OD1 ASP A 30 -7.470 0.347 8.236 1.00 0.00 O ATOM 442 OD2 ASP A 30 -8.244 2.354 8.688 1.00 0.00 O ATOM 0 H ASP A 30 -5.075 0.450 7.730 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.902 0.484 5.606 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.839 2.727 7.371 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.249 2.862 6.339 1.00 0.00 H new ATOM 447 N LYS A 31 -4.116 2.159 5.082 1.00 0.00 N ATOM 448 CA LYS A 31 -3.307 2.799 4.052 1.00 0.00 C ATOM 449 C LYS A 31 -1.823 2.723 4.399 1.00 0.00 C ATOM 450 O LYS A 31 -1.456 2.446 5.542 1.00 0.00 O ATOM 451 CB LYS A 31 -3.726 4.261 3.879 1.00 0.00 C ATOM 452 CG LYS A 31 -3.433 5.125 5.093 1.00 0.00 C ATOM 453 CD LYS A 31 -3.461 6.604 4.745 1.00 0.00 C ATOM 454 CE LYS A 31 -4.886 7.112 4.583 1.00 0.00 C ATOM 455 NZ LYS A 31 -5.448 7.605 5.871 1.00 0.00 N ATOM 0 H LYS A 31 -3.653 2.070 5.987 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.471 2.267 3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.211 4.678 3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.794 4.301 3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.167 4.920 5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.456 4.864 5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.958 7.172 5.527 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.907 6.772 3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.904 7.916 3.847 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.515 6.311 4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.420 7.943 5.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.455 6.831 6.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.862 8.386 6.229 1.00 0.00 H new ATOM 469 N LEU A 32 -0.975 2.971 3.408 1.00 0.00 N ATOM 470 CA LEU A 32 0.470 2.933 3.609 1.00 0.00 C ATOM 471 C LEU A 32 1.039 4.341 3.745 1.00 0.00 C ATOM 472 O LEU A 32 1.101 5.092 2.773 1.00 0.00 O ATOM 473 CB LEU A 32 1.147 2.207 2.446 1.00 0.00 C ATOM 474 CG LEU A 32 2.557 1.678 2.714 1.00 0.00 C ATOM 475 CD1 LEU A 32 3.449 2.785 3.253 1.00 0.00 C ATOM 476 CD2 LEU A 32 2.511 0.507 3.686 1.00 0.00 C ATOM 0 H LEU A 32 -1.262 3.201 2.457 1.00 0.00 H new ATOM 0 HA LEU A 32 0.669 2.391 4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.516 1.369 2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.191 2.887 1.596 1.00 0.00 H new ATOM 0 HG LEU A 32 2.978 1.327 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.448 2.390 3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.507 3.593 2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.032 3.167 4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.523 0.143 3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.070 0.833 4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.907 -0.295 3.261 1.00 0.00 H new ATOM 488 N ASN A 33 1.454 4.692 4.958 1.00 0.00 N ATOM 489 CA ASN A 33 2.020 6.010 5.221 1.00 0.00 C ATOM 490 C ASN A 33 3.533 6.002 5.022 1.00 0.00 C ATOM 491 O ASN A 33 4.277 5.487 5.857 1.00 0.00 O ATOM 492 CB ASN A 33 1.684 6.458 6.645 1.00 0.00 C ATOM 493 CG ASN A 33 2.220 5.502 7.693 1.00 0.00 C ATOM 494 OD1 ASN A 33 2.301 4.295 7.465 1.00 0.00 O ATOM 495 ND2 ASN A 33 2.591 6.040 8.849 1.00 0.00 N ATOM 0 H ASN A 33 1.409 4.082 5.774 1.00 0.00 H new ATOM 0 HA ASN A 33 1.582 6.714 4.513 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.098 7.451 6.818 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.602 6.540 6.751 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.961 5.447 9.592 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.506 7.046 8.994 1.00 0.00 H new ATOM 502 N PHE A 34 3.981 6.578 3.911 1.00 0.00 N ATOM 503 CA PHE A 34 5.405 6.637 3.602 1.00 0.00 C ATOM 504 C PHE A 34 6.026 7.920 4.145 1.00 0.00 C ATOM 505 O PHE A 34 5.729 9.016 3.670 1.00 0.00 O ATOM 506 CB PHE A 34 5.624 6.551 2.090 1.00 0.00 C ATOM 507 CG PHE A 34 5.766 5.144 1.584 1.00 0.00 C ATOM 508 CD1 PHE A 34 7.011 4.538 1.523 1.00 0.00 C ATOM 509 CD2 PHE A 34 4.655 4.427 1.169 1.00 0.00 C ATOM 510 CE1 PHE A 34 7.144 3.244 1.057 1.00 0.00 C ATOM 511 CE2 PHE A 34 4.783 3.133 0.702 1.00 0.00 C ATOM 512 CZ PHE A 34 6.029 2.540 0.648 1.00 0.00 C ATOM 0 H PHE A 34 3.379 7.010 3.210 1.00 0.00 H new ATOM 0 HA PHE A 34 5.891 5.787 4.082 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.786 7.029 1.582 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.519 7.115 1.828 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.887 5.083 1.843 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.678 4.885 1.211 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.120 2.783 1.013 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.910 2.586 0.380 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.131 1.527 0.287 1.00 0.00 H new ATOM 522 N SER A 35 6.890 7.775 5.145 1.00 0.00 N ATOM 523 CA SER A 35 7.551 8.922 5.757 1.00 0.00 C ATOM 524 C SER A 35 8.213 9.797 4.696 1.00 0.00 C ATOM 525 O SER A 35 8.274 9.432 3.522 1.00 0.00 O ATOM 526 CB SER A 35 8.595 8.454 6.772 1.00 0.00 C ATOM 527 OG SER A 35 7.977 7.889 7.916 1.00 0.00 O ATOM 0 H SER A 35 7.149 6.875 5.549 1.00 0.00 H new ATOM 0 HA SER A 35 6.794 9.514 6.272 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.252 7.718 6.309 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.219 9.296 7.071 1.00 0.00 H new ATOM 0 HG SER A 35 8.666 7.596 8.549 1.00 0.00 H new ATOM 533 N THR A 36 8.708 10.956 5.120 1.00 0.00 N ATOM 534 CA THR A 36 9.364 11.885 4.208 1.00 0.00 C ATOM 535 C THR A 36 10.457 11.188 3.405 1.00 0.00 C ATOM 536 O THR A 36 11.536 10.901 3.926 1.00 0.00 O ATOM 537 CB THR A 36 9.981 13.075 4.967 1.00 0.00 C ATOM 538 OG1 THR A 36 9.034 13.604 5.902 1.00 0.00 O ATOM 539 CG2 THR A 36 10.412 14.168 4.001 1.00 0.00 C ATOM 0 H THR A 36 8.667 11.273 6.089 1.00 0.00 H new ATOM 0 HA THR A 36 8.597 12.255 3.528 1.00 0.00 H new ATOM 0 HB THR A 36 10.860 12.719 5.503 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.435 14.359 6.382 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.845 14.998 4.560 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.155 13.770 3.309 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.546 14.520 3.441 1.00 0.00 H new ATOM 547 N CYS A 37 10.171 10.919 2.136 1.00 0.00 N ATOM 548 CA CYS A 37 11.130 10.254 1.261 1.00 0.00 C ATOM 549 C CYS A 37 11.453 11.123 0.049 1.00 0.00 C ATOM 550 O CYS A 37 10.743 12.078 -0.267 1.00 0.00 O ATOM 551 CB CYS A 37 10.583 8.902 0.804 1.00 0.00 C ATOM 552 SG CYS A 37 11.102 7.509 1.834 1.00 0.00 S ATOM 0 H CYS A 37 9.283 11.151 1.690 1.00 0.00 H new ATOM 0 HA CYS A 37 12.049 10.093 1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.494 8.947 0.795 1.00 0.00 H new ATOM 0 HB3 CYS A 37 10.903 8.721 -0.222 1.00 0.00 H new ATOM 0 HG CYS A 37 10.104 6.691 1.993 1.00 0.00 H new ATOM 558 N PRO A 38 12.549 10.786 -0.645 1.00 0.00 N ATOM 559 CA PRO A 38 12.991 11.523 -1.833 1.00 0.00 C ATOM 560 C PRO A 38 12.057 11.321 -3.021 1.00 0.00 C ATOM 561 O PRO A 38 11.159 10.480 -2.982 1.00 0.00 O ATOM 562 CB PRO A 38 14.369 10.926 -2.129 1.00 0.00 C ATOM 563 CG PRO A 38 14.324 9.558 -1.539 1.00 0.00 C ATOM 564 CD PRO A 38 13.442 9.660 -0.325 1.00 0.00 C ATOM 0 HA PRO A 38 13.005 12.599 -1.663 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.562 10.889 -3.201 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.164 11.524 -1.683 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.924 8.838 -2.253 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.323 9.217 -1.268 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.883 8.740 -0.156 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.022 9.851 0.578 1.00 0.00 H new ATOM 572 N VAL A 39 12.275 12.098 -4.078 1.00 0.00 N ATOM 573 CA VAL A 39 11.454 12.003 -5.279 1.00 0.00 C ATOM 574 C VAL A 39 12.097 11.087 -6.314 1.00 0.00 C ATOM 575 O VAL A 39 11.512 10.082 -6.718 1.00 0.00 O ATOM 576 CB VAL A 39 11.221 13.389 -5.910 1.00 0.00 C ATOM 577 CG1 VAL A 39 12.536 14.140 -6.050 1.00 0.00 C ATOM 578 CG2 VAL A 39 10.530 13.250 -7.258 1.00 0.00 C ATOM 0 H VAL A 39 13.013 12.800 -4.126 1.00 0.00 H new ATOM 0 HA VAL A 39 10.495 11.584 -4.974 1.00 0.00 H new ATOM 0 HB VAL A 39 10.571 13.965 -5.252 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.351 15.117 -6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 39 12.987 14.271 -5.066 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.214 13.571 -6.687 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.373 14.238 -7.690 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.153 12.657 -7.927 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.568 12.755 -7.124 1.00 0.00 H new ATOM 588 N LYS A 40 13.305 11.440 -6.739 1.00 0.00 N ATOM 589 CA LYS A 40 14.031 10.649 -7.726 1.00 0.00 C ATOM 590 C LYS A 40 14.492 9.324 -7.128 1.00 0.00 C ATOM 591 O LYS A 40 14.237 8.257 -7.688 1.00 0.00 O ATOM 592 CB LYS A 40 15.236 11.432 -8.250 1.00 0.00 C ATOM 593 CG LYS A 40 14.860 12.701 -8.996 1.00 0.00 C ATOM 594 CD LYS A 40 13.911 12.411 -10.146 1.00 0.00 C ATOM 595 CE LYS A 40 13.566 13.676 -10.917 1.00 0.00 C ATOM 596 NZ LYS A 40 12.981 13.371 -12.252 1.00 0.00 N ATOM 0 H LYS A 40 13.803 12.269 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 40 13.355 10.437 -8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.882 11.692 -7.412 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.816 10.789 -8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.393 13.405 -8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.761 13.180 -9.379 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.366 11.685 -10.820 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.998 11.958 -9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.860 14.272 -10.339 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.464 14.280 -11.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.443 13.958 -12.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.129 12.366 -12.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.962 13.576 -12.239 1.00 0.00 H new ATOM 610 N TYR A 41 15.171 9.399 -5.989 1.00 0.00 N ATOM 611 CA TYR A 41 15.669 8.205 -5.316 1.00 0.00 C ATOM 612 C TYR A 41 14.552 7.183 -5.122 1.00 0.00 C ATOM 613 O TYR A 41 13.374 7.536 -5.076 1.00 0.00 O ATOM 614 CB TYR A 41 16.279 8.573 -3.963 1.00 0.00 C ATOM 615 CG TYR A 41 17.645 9.212 -4.068 1.00 0.00 C ATOM 616 CD1 TYR A 41 18.796 8.435 -4.116 1.00 0.00 C ATOM 617 CD2 TYR A 41 17.786 10.594 -4.120 1.00 0.00 C ATOM 618 CE1 TYR A 41 20.046 9.014 -4.211 1.00 0.00 C ATOM 619 CE2 TYR A 41 19.032 11.182 -4.217 1.00 0.00 C ATOM 620 CZ TYR A 41 20.159 10.388 -4.262 1.00 0.00 C ATOM 621 OH TYR A 41 21.402 10.970 -4.358 1.00 0.00 O ATOM 0 H TYR A 41 15.389 10.274 -5.512 1.00 0.00 H new ATOM 0 HA TYR A 41 16.440 7.759 -5.945 1.00 0.00 H new ATOM 0 HB2 TYR A 41 15.606 9.256 -3.445 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.354 7.674 -3.351 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.711 7.359 -4.078 1.00 0.00 H new ATOM 0 HD2 TYR A 41 16.906 11.219 -4.084 1.00 0.00 H new ATOM 0 HE1 TYR A 41 20.930 8.395 -4.245 1.00 0.00 H new ATOM 0 HE2 TYR A 41 19.123 12.257 -4.257 1.00 0.00 H new ATOM 0 HH TYR A 41 21.306 11.945 -4.384 1.00 0.00 H new ATOM 631 N SER A 42 14.933 5.915 -5.007 1.00 0.00 N ATOM 632 CA SER A 42 13.965 4.840 -4.821 1.00 0.00 C ATOM 633 C SER A 42 13.704 4.596 -3.338 1.00 0.00 C ATOM 634 O SER A 42 14.585 4.787 -2.499 1.00 0.00 O ATOM 635 CB SER A 42 14.467 3.554 -5.481 1.00 0.00 C ATOM 636 OG SER A 42 15.724 3.167 -4.954 1.00 0.00 O ATOM 0 H SER A 42 15.905 5.607 -5.039 1.00 0.00 H new ATOM 0 HA SER A 42 13.029 5.140 -5.292 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.742 2.755 -5.325 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.551 3.703 -6.558 1.00 0.00 H new ATOM 0 HG SER A 42 16.022 2.342 -5.391 1.00 0.00 H new ATOM 642 N THR A 43 12.484 4.171 -3.021 1.00 0.00 N ATOM 643 CA THR A 43 12.104 3.901 -1.640 1.00 0.00 C ATOM 644 C THR A 43 11.734 2.435 -1.448 1.00 0.00 C ATOM 645 O THR A 43 11.174 1.805 -2.344 1.00 0.00 O ATOM 646 CB THR A 43 10.917 4.780 -1.202 1.00 0.00 C ATOM 647 OG1 THR A 43 11.297 6.160 -1.217 1.00 0.00 O ATOM 648 CG2 THR A 43 10.443 4.394 0.191 1.00 0.00 C ATOM 0 H THR A 43 11.743 4.007 -3.702 1.00 0.00 H new ATOM 0 HA THR A 43 12.970 4.138 -1.022 1.00 0.00 H new ATOM 0 HB THR A 43 10.098 4.622 -1.904 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.244 6.524 -0.309 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.604 5.028 0.479 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.126 3.351 0.192 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.258 4.526 0.902 1.00 0.00 H new ATOM 656 N GLN A 44 12.051 1.899 -0.274 1.00 0.00 N ATOM 657 CA GLN A 44 11.752 0.506 0.035 1.00 0.00 C ATOM 658 C GLN A 44 11.134 0.376 1.423 1.00 0.00 C ATOM 659 O GLN A 44 11.501 1.102 2.348 1.00 0.00 O ATOM 660 CB GLN A 44 13.022 -0.343 -0.052 1.00 0.00 C ATOM 661 CG GLN A 44 13.501 -0.575 -1.476 1.00 0.00 C ATOM 662 CD GLN A 44 14.165 0.648 -2.076 1.00 0.00 C ATOM 663 OE1 GLN A 44 14.913 1.357 -1.400 1.00 0.00 O ATOM 664 NE2 GLN A 44 13.896 0.904 -3.351 1.00 0.00 N ATOM 0 H GLN A 44 12.515 2.408 0.479 1.00 0.00 H new ATOM 0 HA GLN A 44 11.031 0.145 -0.699 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.815 0.145 0.515 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.838 -1.307 0.422 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.204 -1.408 -1.487 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.654 -0.865 -2.097 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.271 0.290 -3.873 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.315 1.714 -3.808 1.00 0.00 H new ATOM 673 N LYS A 45 10.194 -0.553 1.563 1.00 0.00 N ATOM 674 CA LYS A 45 9.525 -0.779 2.839 1.00 0.00 C ATOM 675 C LYS A 45 8.959 -2.193 2.913 1.00 0.00 C ATOM 676 O LYS A 45 8.676 -2.813 1.887 1.00 0.00 O ATOM 677 CB LYS A 45 8.402 0.242 3.038 1.00 0.00 C ATOM 678 CG LYS A 45 8.785 1.398 3.946 1.00 0.00 C ATOM 679 CD LYS A 45 7.949 2.633 3.659 1.00 0.00 C ATOM 680 CE LYS A 45 7.654 3.415 4.930 1.00 0.00 C ATOM 681 NZ LYS A 45 8.892 3.990 5.526 1.00 0.00 N ATOM 0 H LYS A 45 9.878 -1.162 0.808 1.00 0.00 H new ATOM 0 HA LYS A 45 10.262 -0.659 3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.105 0.637 2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.532 -0.264 3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.654 1.103 4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.841 1.633 3.812 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.475 3.273 2.951 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.012 2.338 3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.951 4.218 4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.171 2.760 5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.648 4.530 6.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.546 3.221 5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.348 4.621 4.837 1.00 0.00 H new ATOM 695 N ILE A 46 8.795 -2.697 4.132 1.00 0.00 N ATOM 696 CA ILE A 46 8.260 -4.037 4.338 1.00 0.00 C ATOM 697 C ILE A 46 6.924 -3.989 5.072 1.00 0.00 C ATOM 698 O ILE A 46 6.736 -3.187 5.988 1.00 0.00 O ATOM 699 CB ILE A 46 9.240 -4.917 5.136 1.00 0.00 C ATOM 700 CG1 ILE A 46 10.611 -4.938 4.456 1.00 0.00 C ATOM 701 CG2 ILE A 46 8.691 -6.329 5.275 1.00 0.00 C ATOM 702 CD1 ILE A 46 11.547 -5.986 5.016 1.00 0.00 C ATOM 0 H ILE A 46 9.025 -2.198 4.991 1.00 0.00 H new ATOM 0 HA ILE A 46 8.113 -4.474 3.350 1.00 0.00 H new ATOM 0 HB ILE A 46 9.356 -4.493 6.133 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.476 -5.116 3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.074 -3.957 4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.395 -6.939 5.841 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.735 -6.298 5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.549 -6.763 4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.499 -5.943 4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.712 -5.797 6.077 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.105 -6.974 4.888 1.00 0.00 H new ATOM 714 N LEU A 47 6.001 -4.852 4.665 1.00 0.00 N ATOM 715 CA LEU A 47 4.682 -4.910 5.285 1.00 0.00 C ATOM 716 C LEU A 47 4.353 -6.330 5.736 1.00 0.00 C ATOM 717 O LEU A 47 4.206 -7.235 4.913 1.00 0.00 O ATOM 718 CB LEU A 47 3.615 -4.414 4.308 1.00 0.00 C ATOM 719 CG LEU A 47 2.201 -4.953 4.527 1.00 0.00 C ATOM 720 CD1 LEU A 47 1.470 -4.125 5.573 1.00 0.00 C ATOM 721 CD2 LEU A 47 1.426 -4.965 3.218 1.00 0.00 C ATOM 0 H LEU A 47 6.141 -5.521 3.908 1.00 0.00 H new ATOM 0 HA LEU A 47 4.692 -4.263 6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.580 -3.326 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.928 -4.673 3.297 1.00 0.00 H new ATOM 0 HG LEU A 47 2.276 -5.978 4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.465 -4.523 5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.014 -4.168 6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.406 -3.090 5.238 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.422 -5.352 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.361 -3.951 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.939 -5.601 2.497 1.00 0.00 H new ATOM 733 N LEU A 48 4.238 -6.518 7.046 1.00 0.00 N ATOM 734 CA LEU A 48 3.925 -7.828 7.606 1.00 0.00 C ATOM 735 C LEU A 48 2.458 -8.180 7.380 1.00 0.00 C ATOM 736 O LEU A 48 1.567 -7.369 7.636 1.00 0.00 O ATOM 737 CB LEU A 48 4.243 -7.854 9.102 1.00 0.00 C ATOM 738 CG LEU A 48 4.348 -9.239 9.742 1.00 0.00 C ATOM 739 CD1 LEU A 48 3.044 -10.003 9.578 1.00 0.00 C ATOM 740 CD2 LEU A 48 5.506 -10.020 9.136 1.00 0.00 C ATOM 0 H LEU A 48 4.357 -5.780 7.740 1.00 0.00 H new ATOM 0 HA LEU A 48 4.540 -8.570 7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.185 -7.330 9.262 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.471 -7.291 9.627 1.00 0.00 H new ATOM 0 HG LEU A 48 4.539 -9.112 10.808 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.138 -10.986 10.040 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.236 -9.452 10.059 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.822 -10.120 8.517 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.566 -11.003 9.603 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.345 -10.137 8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.438 -9.480 9.306 1.00 0.00 H new ATOM 752 N VAL A 49 2.213 -9.396 6.902 1.00 0.00 N ATOM 753 CA VAL A 49 0.854 -9.857 6.645 1.00 0.00 C ATOM 754 C VAL A 49 0.572 -11.168 7.370 1.00 0.00 C ATOM 755 O VAL A 49 1.415 -12.065 7.402 1.00 0.00 O ATOM 756 CB VAL A 49 0.603 -10.052 5.138 1.00 0.00 C ATOM 757 CG1 VAL A 49 -0.872 -10.315 4.872 1.00 0.00 C ATOM 758 CG2 VAL A 49 1.086 -8.840 4.356 1.00 0.00 C ATOM 0 H VAL A 49 2.938 -10.080 6.685 1.00 0.00 H new ATOM 0 HA VAL A 49 0.182 -9.086 7.021 1.00 0.00 H new ATOM 0 HB VAL A 49 1.169 -10.921 4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.030 -10.450 3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.182 -11.216 5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.462 -9.468 5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.901 -8.995 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.549 -7.953 4.692 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.154 -8.702 4.522 1.00 0.00 H new ATOM 768 N ARG A 50 -0.619 -11.273 7.950 1.00 0.00 N ATOM 769 CA ARG A 50 -1.012 -12.474 8.676 1.00 0.00 C ATOM 770 C ARG A 50 -2.373 -12.976 8.201 1.00 0.00 C ATOM 771 O ARG A 50 -3.357 -12.238 8.214 1.00 0.00 O ATOM 772 CB ARG A 50 -1.056 -12.196 10.180 1.00 0.00 C ATOM 773 CG ARG A 50 -1.468 -13.401 11.010 1.00 0.00 C ATOM 774 CD ARG A 50 -2.152 -12.980 12.301 1.00 0.00 C ATOM 775 NE ARG A 50 -1.300 -12.121 13.118 1.00 0.00 N ATOM 776 CZ ARG A 50 -1.532 -11.860 14.400 1.00 0.00 C ATOM 777 NH1 ARG A 50 -2.584 -12.390 15.008 1.00 0.00 N ATOM 778 NH2 ARG A 50 -0.709 -11.068 15.076 1.00 0.00 N ATOM 0 H ARG A 50 -1.329 -10.540 7.931 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.269 -13.247 8.478 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.073 -11.859 10.508 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.753 -11.379 10.370 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.141 -14.031 10.429 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.589 -14.002 11.242 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.077 -12.454 12.066 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.426 -13.867 12.872 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.481 -11.698 12.681 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.218 -13.000 14.492 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.760 -12.188 15.992 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.102 -10.659 14.611 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.887 -10.868 16.060 1.00 0.00 H new ATOM 792 N ASN A 51 -2.419 -14.236 7.781 1.00 0.00 N ATOM 793 CA ASN A 51 -3.658 -14.836 7.300 1.00 0.00 C ATOM 794 C ASN A 51 -4.611 -15.119 8.457 1.00 0.00 C ATOM 795 O ASN A 51 -4.397 -16.048 9.237 1.00 0.00 O ATOM 796 CB ASN A 51 -3.361 -16.131 6.541 1.00 0.00 C ATOM 797 CG ASN A 51 -4.618 -16.789 6.005 1.00 0.00 C ATOM 798 OD1 ASN A 51 -5.713 -16.234 6.104 1.00 0.00 O ATOM 799 ND2 ASN A 51 -4.466 -17.978 5.434 1.00 0.00 N ATOM 0 H ASN A 51 -1.613 -14.861 7.764 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.136 -14.128 6.624 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.685 -15.917 5.713 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.844 -16.826 7.203 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.276 -18.469 5.055 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.539 -18.400 5.374 1.00 0.00 H new ATOM 806 N ILE A 52 -5.662 -14.313 8.562 1.00 0.00 N ATOM 807 CA ILE A 52 -6.648 -14.478 9.623 1.00 0.00 C ATOM 808 C ILE A 52 -7.815 -15.343 9.159 1.00 0.00 C ATOM 809 O ILE A 52 -8.880 -15.348 9.774 1.00 0.00 O ATOM 810 CB ILE A 52 -7.189 -13.120 10.105 1.00 0.00 C ATOM 811 CG1 ILE A 52 -7.707 -12.303 8.919 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.107 -12.353 10.851 1.00 0.00 C ATOM 813 CD1 ILE A 52 -8.379 -11.010 9.323 1.00 0.00 C ATOM 0 H ILE A 52 -5.853 -13.539 7.925 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.140 -14.972 10.452 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.018 -13.298 10.790 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.875 -12.077 8.252 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.414 -12.909 8.352 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.505 -11.395 11.185 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.781 -12.932 11.715 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.259 -12.182 10.188 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.721 -10.484 8.432 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.232 -11.229 9.965 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.669 -10.384 9.864 1.00 0.00 H new ATOM 825 N GLY A 53 -7.606 -16.075 8.069 1.00 0.00 N ATOM 826 CA GLY A 53 -8.649 -16.935 7.541 1.00 0.00 C ATOM 827 C GLY A 53 -8.648 -18.308 8.182 1.00 0.00 C ATOM 828 O GLY A 53 -8.036 -18.511 9.230 1.00 0.00 O ATOM 0 H GLY A 53 -6.733 -16.088 7.542 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.619 -16.464 7.700 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.518 -17.040 6.464 1.00 0.00 H new ATOM 832 N ASN A 54 -9.337 -19.254 7.552 1.00 0.00 N ATOM 833 CA ASN A 54 -9.415 -20.616 8.069 1.00 0.00 C ATOM 834 C ASN A 54 -8.571 -21.567 7.226 1.00 0.00 C ATOM 835 O ASN A 54 -7.973 -22.510 7.744 1.00 0.00 O ATOM 836 CB ASN A 54 -10.868 -21.092 8.094 1.00 0.00 C ATOM 837 CG ASN A 54 -11.745 -20.228 8.981 1.00 0.00 C ATOM 838 OD1 ASN A 54 -11.785 -20.409 10.198 1.00 0.00 O ATOM 839 ND2 ASN A 54 -12.451 -19.282 8.372 1.00 0.00 N ATOM 0 H ASN A 54 -9.849 -19.103 6.683 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.023 -20.615 9.086 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.266 -21.088 7.079 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.904 -22.123 8.446 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.058 -18.669 8.916 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.386 -19.169 7.360 1.00 0.00 H new ATOM 846 N LYS A 55 -8.526 -21.312 5.923 1.00 0.00 N ATOM 847 CA LYS A 55 -7.754 -22.143 5.006 1.00 0.00 C ATOM 848 C LYS A 55 -6.690 -21.319 4.290 1.00 0.00 C ATOM 849 O LYS A 55 -6.575 -20.113 4.507 1.00 0.00 O ATOM 850 CB LYS A 55 -8.680 -22.802 3.981 1.00 0.00 C ATOM 851 CG LYS A 55 -9.229 -24.144 4.432 1.00 0.00 C ATOM 852 CD LYS A 55 -10.320 -23.978 5.476 1.00 0.00 C ATOM 853 CE LYS A 55 -11.219 -25.203 5.543 1.00 0.00 C ATOM 854 NZ LYS A 55 -11.807 -25.386 6.899 1.00 0.00 N ATOM 0 H LYS A 55 -9.015 -20.536 5.478 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.256 -22.918 5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.512 -22.130 3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.136 -22.937 3.046 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.626 -24.683 3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.421 -24.749 4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.867 -23.804 6.452 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.919 -23.098 5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.020 -25.106 4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.645 -26.090 5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.413 -26.231 6.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.044 -25.504 7.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.375 -24.551 7.146 1.00 0.00 H new ATOM 868 N ASN A 56 -5.914 -21.977 3.435 1.00 0.00 N ATOM 869 CA ASN A 56 -4.859 -21.304 2.686 1.00 0.00 C ATOM 870 C ASN A 56 -5.403 -20.075 1.964 1.00 0.00 C ATOM 871 O ASN A 56 -6.254 -20.187 1.082 1.00 0.00 O ATOM 872 CB ASN A 56 -4.229 -22.265 1.676 1.00 0.00 C ATOM 873 CG ASN A 56 -2.779 -21.931 1.386 1.00 0.00 C ATOM 874 OD1 ASN A 56 -1.867 -22.524 1.964 1.00 0.00 O ATOM 875 ND2 ASN A 56 -2.559 -20.978 0.488 1.00 0.00 N ATOM 0 H ASN A 56 -5.996 -22.976 3.244 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.096 -20.980 3.394 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.295 -23.284 2.058 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.798 -22.236 0.747 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.603 -20.710 0.252 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.346 -20.514 0.034 1.00 0.00 H new ATOM 882 N ALA A 57 -4.905 -18.903 2.344 1.00 0.00 N ATOM 883 CA ALA A 57 -5.339 -17.654 1.732 1.00 0.00 C ATOM 884 C ALA A 57 -4.456 -17.289 0.544 1.00 0.00 C ATOM 885 O ALA A 57 -3.276 -17.637 0.504 1.00 0.00 O ATOM 886 CB ALA A 57 -5.334 -16.532 2.760 1.00 0.00 C ATOM 0 H ALA A 57 -4.200 -18.793 3.073 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.357 -17.792 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.660 -15.605 2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.012 -16.783 3.576 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.326 -16.403 3.153 1.00 0.00 H new ATOM 892 N VAL A 58 -5.035 -16.585 -0.424 1.00 0.00 N ATOM 893 CA VAL A 58 -4.300 -16.173 -1.614 1.00 0.00 C ATOM 894 C VAL A 58 -4.507 -14.690 -1.901 1.00 0.00 C ATOM 895 O VAL A 58 -5.468 -14.083 -1.428 1.00 0.00 O ATOM 896 CB VAL A 58 -4.727 -16.989 -2.849 1.00 0.00 C ATOM 897 CG1 VAL A 58 -4.325 -18.447 -2.691 1.00 0.00 C ATOM 898 CG2 VAL A 58 -6.226 -16.862 -3.078 1.00 0.00 C ATOM 0 H VAL A 58 -6.011 -16.288 -0.407 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.245 -16.358 -1.414 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.213 -16.589 -3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.635 -19.008 -3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.243 -18.516 -2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.809 -18.864 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.511 -17.444 -3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.760 -17.236 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.482 -15.815 -3.240 1.00 0.00 H new ATOM 908 N PHE A 59 -3.599 -14.112 -2.680 1.00 0.00 N ATOM 909 CA PHE A 59 -3.682 -12.699 -3.031 1.00 0.00 C ATOM 910 C PHE A 59 -2.899 -12.409 -4.309 1.00 0.00 C ATOM 911 O PHE A 59 -1.783 -12.896 -4.490 1.00 0.00 O ATOM 912 CB PHE A 59 -3.149 -11.835 -1.886 1.00 0.00 C ATOM 913 CG PHE A 59 -1.854 -12.334 -1.312 1.00 0.00 C ATOM 914 CD1 PHE A 59 -1.846 -13.324 -0.343 1.00 0.00 C ATOM 915 CD2 PHE A 59 -0.644 -11.812 -1.740 1.00 0.00 C ATOM 916 CE1 PHE A 59 -0.656 -13.786 0.188 1.00 0.00 C ATOM 917 CE2 PHE A 59 0.549 -12.270 -1.214 1.00 0.00 C ATOM 918 CZ PHE A 59 0.543 -13.257 -0.248 1.00 0.00 C ATOM 0 H PHE A 59 -2.798 -14.600 -3.080 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.730 -12.454 -3.204 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.009 -10.815 -2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.897 -11.794 -1.094 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.781 -13.740 0.002 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.633 -11.038 -2.493 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.664 -14.559 0.942 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.485 -11.856 -1.558 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.474 -13.615 0.166 1.00 0.00 H new ATOM 928 N HIS A 60 -3.493 -11.612 -5.192 1.00 0.00 N ATOM 929 CA HIS A 60 -2.852 -11.257 -6.453 1.00 0.00 C ATOM 930 C HIS A 60 -2.954 -9.756 -6.710 1.00 0.00 C ATOM 931 O HIS A 60 -4.002 -9.258 -7.123 1.00 0.00 O ATOM 932 CB HIS A 60 -3.490 -12.029 -7.608 1.00 0.00 C ATOM 933 CG HIS A 60 -2.870 -11.734 -8.940 1.00 0.00 C ATOM 934 ND1 HIS A 60 -3.035 -12.545 -10.043 1.00 0.00 N ATOM 935 CD2 HIS A 60 -2.083 -10.709 -9.342 1.00 0.00 C ATOM 936 CE1 HIS A 60 -2.374 -12.033 -11.066 1.00 0.00 C ATOM 937 NE2 HIS A 60 -1.788 -10.918 -10.667 1.00 0.00 N ATOM 0 H HIS A 60 -4.416 -11.200 -5.057 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.798 -11.525 -6.385 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.410 -13.098 -7.408 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.553 -11.791 -7.650 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.749 -9.881 -8.734 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -2.322 -12.454 -12.059 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.210 -10.311 -11.249 1.00 0.00 H new ATOM 946 N ILE A 61 -1.861 -9.043 -6.463 1.00 0.00 N ATOM 947 CA ILE A 61 -1.828 -7.600 -6.669 1.00 0.00 C ATOM 948 C ILE A 61 -1.164 -7.249 -7.995 1.00 0.00 C ATOM 949 O ILE A 61 -0.299 -7.978 -8.482 1.00 0.00 O ATOM 950 CB ILE A 61 -1.081 -6.886 -5.527 1.00 0.00 C ATOM 951 CG1 ILE A 61 -1.445 -7.511 -4.180 1.00 0.00 C ATOM 952 CG2 ILE A 61 -1.403 -5.399 -5.532 1.00 0.00 C ATOM 953 CD1 ILE A 61 -0.360 -7.372 -3.136 1.00 0.00 C ATOM 0 H ILE A 61 -0.986 -9.440 -6.120 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.863 -7.259 -6.684 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.009 -7.006 -5.683 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.358 -7.046 -3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.663 -8.569 -4.327 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.868 -4.908 -4.719 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.097 -4.964 -6.483 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.475 -5.259 -5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.687 -7.838 -2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.548 -7.862 -3.487 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.157 -6.316 -2.960 1.00 0.00 H new ATOM 965 N LYS A 62 -1.571 -6.125 -8.576 1.00 0.00 N ATOM 966 CA LYS A 62 -1.014 -5.673 -9.845 1.00 0.00 C ATOM 967 C LYS A 62 -1.007 -4.150 -9.924 1.00 0.00 C ATOM 968 O LYS A 62 -1.990 -3.494 -9.576 1.00 0.00 O ATOM 969 CB LYS A 62 -1.816 -6.252 -11.013 1.00 0.00 C ATOM 970 CG LYS A 62 -3.315 -6.039 -10.885 1.00 0.00 C ATOM 971 CD LYS A 62 -3.757 -4.758 -11.572 1.00 0.00 C ATOM 972 CE LYS A 62 -5.185 -4.864 -12.083 1.00 0.00 C ATOM 973 NZ LYS A 62 -6.179 -4.533 -11.025 1.00 0.00 N ATOM 0 H LYS A 62 -2.286 -5.510 -8.187 1.00 0.00 H new ATOM 0 HA LYS A 62 0.015 -6.027 -9.908 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.471 -5.797 -11.941 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.614 -7.321 -11.087 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.842 -6.887 -11.321 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.589 -6.001 -9.831 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.680 -3.924 -10.874 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.087 -4.540 -12.404 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.318 -4.191 -12.930 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.366 -5.875 -12.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.140 -4.617 -11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.069 -5.191 -10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.023 -3.559 -10.695 1.00 0.00 H new ATOM 987 N THR A 63 0.107 -3.591 -10.387 1.00 0.00 N ATOM 988 CA THR A 63 0.242 -2.145 -10.512 1.00 0.00 C ATOM 989 C THR A 63 1.468 -1.777 -11.339 1.00 0.00 C ATOM 990 O THR A 63 2.264 -2.642 -11.707 1.00 0.00 O ATOM 991 CB THR A 63 0.345 -1.468 -9.132 1.00 0.00 C ATOM 992 OG1 THR A 63 0.229 -0.048 -9.273 1.00 0.00 O ATOM 993 CG2 THR A 63 1.666 -1.810 -8.459 1.00 0.00 C ATOM 0 H THR A 63 0.929 -4.118 -10.682 1.00 0.00 H new ATOM 0 HA THR A 63 -0.655 -1.787 -11.017 1.00 0.00 H new ATOM 0 HB THR A 63 -0.469 -1.838 -8.508 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.294 0.375 -8.391 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.716 -1.321 -7.486 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.738 -2.890 -8.326 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.492 -1.465 -9.082 1.00 0.00 H new ATOM 1001 N CYS A 64 1.616 -0.489 -11.628 1.00 0.00 N ATOM 1002 CA CYS A 64 2.747 -0.006 -12.413 1.00 0.00 C ATOM 1003 C CYS A 64 3.411 1.187 -11.732 1.00 0.00 C ATOM 1004 O CYS A 64 2.812 1.839 -10.877 1.00 0.00 O ATOM 1005 CB CYS A 64 2.290 0.384 -13.819 1.00 0.00 C ATOM 1006 SG CYS A 64 1.696 -1.005 -14.813 1.00 0.00 S ATOM 0 H CYS A 64 0.967 0.240 -11.331 1.00 0.00 H new ATOM 0 HA CYS A 64 3.477 -0.812 -12.487 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.495 1.126 -13.739 1.00 0.00 H new ATOM 0 HB3 CYS A 64 3.120 0.861 -14.340 1.00 0.00 H new ATOM 0 HG CYS A 64 1.330 -0.575 -15.984 1.00 0.00 H new ATOM 1012 N ARG A 65 4.653 1.465 -12.116 1.00 0.00 N ATOM 1013 CA ARG A 65 5.399 2.577 -11.541 1.00 0.00 C ATOM 1014 C ARG A 65 4.594 3.871 -11.619 1.00 0.00 C ATOM 1015 O ARG A 65 3.631 3.987 -12.378 1.00 0.00 O ATOM 1016 CB ARG A 65 6.736 2.751 -12.266 1.00 0.00 C ATOM 1017 CG ARG A 65 7.888 2.016 -11.602 1.00 0.00 C ATOM 1018 CD ARG A 65 9.187 2.207 -12.369 1.00 0.00 C ATOM 1019 NE ARG A 65 10.347 1.758 -11.604 1.00 0.00 N ATOM 1020 CZ ARG A 65 10.759 0.496 -11.567 1.00 0.00 C ATOM 1021 NH1 ARG A 65 10.110 -0.438 -12.249 1.00 0.00 N ATOM 1022 NH2 ARG A 65 11.823 0.165 -10.847 1.00 0.00 N ATOM 0 H ARG A 65 5.163 0.935 -12.823 1.00 0.00 H new ATOM 0 HA ARG A 65 5.589 2.350 -10.492 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.633 2.396 -13.291 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.976 3.813 -12.319 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.011 2.377 -10.581 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.655 0.953 -11.539 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.137 1.656 -13.308 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.306 3.260 -12.623 1.00 0.00 H new ATOM 0 HE ARG A 65 10.869 2.452 -11.069 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.292 -0.188 -12.804 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.429 -1.406 -12.218 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.325 0.880 -10.321 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.139 -0.805 -10.819 1.00 0.00 H new ATOM 1036 N PRO A 66 4.996 4.868 -10.817 1.00 0.00 N ATOM 1037 CA PRO A 66 6.141 4.741 -9.910 1.00 0.00 C ATOM 1038 C PRO A 66 5.860 3.790 -8.751 1.00 0.00 C ATOM 1039 O PRO A 66 6.734 3.527 -7.925 1.00 0.00 O ATOM 1040 CB PRO A 66 6.344 6.168 -9.393 1.00 0.00 C ATOM 1041 CG PRO A 66 5.006 6.810 -9.520 1.00 0.00 C ATOM 1042 CD PRO A 66 4.364 6.195 -10.733 1.00 0.00 C ATOM 0 HA PRO A 66 7.015 4.326 -10.413 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.687 6.169 -8.358 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.095 6.698 -9.979 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.403 6.635 -8.629 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.101 7.890 -9.634 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.283 6.119 -10.620 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.550 6.786 -11.630 1.00 0.00 H new ATOM 1050 N PHE A 67 4.635 3.278 -8.696 1.00 0.00 N ATOM 1051 CA PHE A 67 4.239 2.356 -7.638 1.00 0.00 C ATOM 1052 C PHE A 67 4.359 0.908 -8.105 1.00 0.00 C ATOM 1053 O PHE A 67 3.820 0.534 -9.146 1.00 0.00 O ATOM 1054 CB PHE A 67 2.803 2.643 -7.193 1.00 0.00 C ATOM 1055 CG PHE A 67 2.706 3.697 -6.128 1.00 0.00 C ATOM 1056 CD1 PHE A 67 3.051 3.411 -4.817 1.00 0.00 C ATOM 1057 CD2 PHE A 67 2.267 4.975 -6.437 1.00 0.00 C ATOM 1058 CE1 PHE A 67 2.962 4.379 -3.834 1.00 0.00 C ATOM 1059 CE2 PHE A 67 2.177 5.947 -5.459 1.00 0.00 C ATOM 1060 CZ PHE A 67 2.524 5.648 -4.156 1.00 0.00 C ATOM 0 H PHE A 67 3.900 3.486 -9.372 1.00 0.00 H new ATOM 0 HA PHE A 67 4.910 2.503 -6.792 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.219 2.957 -8.058 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.355 1.721 -6.823 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.394 2.420 -4.560 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.992 5.214 -7.454 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.235 4.143 -2.816 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.836 6.940 -5.713 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.453 6.406 -3.390 1.00 0.00 H new ATOM 1070 N SER A 68 5.069 0.098 -7.326 1.00 0.00 N ATOM 1071 CA SER A 68 5.264 -1.307 -7.661 1.00 0.00 C ATOM 1072 C SER A 68 5.601 -2.121 -6.415 1.00 0.00 C ATOM 1073 O SER A 68 6.221 -1.615 -5.479 1.00 0.00 O ATOM 1074 CB SER A 68 6.379 -1.457 -8.698 1.00 0.00 C ATOM 1075 OG SER A 68 5.996 -0.896 -9.942 1.00 0.00 O ATOM 0 H SER A 68 5.519 0.391 -6.459 1.00 0.00 H new ATOM 0 HA SER A 68 4.333 -1.687 -8.082 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.284 -0.967 -8.338 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.618 -2.512 -8.829 1.00 0.00 H new ATOM 0 HG SER A 68 5.125 -0.458 -9.849 1.00 0.00 H new ATOM 1081 N ILE A 69 5.189 -3.384 -6.412 1.00 0.00 N ATOM 1082 CA ILE A 69 5.448 -4.269 -5.282 1.00 0.00 C ATOM 1083 C ILE A 69 5.685 -5.701 -5.749 1.00 0.00 C ATOM 1084 O ILE A 69 5.465 -6.028 -6.914 1.00 0.00 O ATOM 1085 CB ILE A 69 4.281 -4.254 -4.277 1.00 0.00 C ATOM 1086 CG1 ILE A 69 3.311 -5.400 -4.572 1.00 0.00 C ATOM 1087 CG2 ILE A 69 3.558 -2.916 -4.323 1.00 0.00 C ATOM 1088 CD1 ILE A 69 2.630 -5.284 -5.918 1.00 0.00 C ATOM 0 H ILE A 69 4.675 -3.818 -7.179 1.00 0.00 H new ATOM 0 HA ILE A 69 6.346 -3.897 -4.789 1.00 0.00 H new ATOM 0 HB ILE A 69 4.684 -4.392 -3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.853 -6.345 -4.528 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.551 -5.432 -3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.736 -2.922 -3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.255 -2.117 -4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.164 -2.749 -5.326 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.957 -6.130 -6.059 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.060 -4.356 -5.958 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.382 -5.282 -6.707 1.00 0.00 H new ATOM 1100 N GLU A 70 6.132 -6.551 -4.830 1.00 0.00 N ATOM 1101 CA GLU A 70 6.398 -7.949 -5.147 1.00 0.00 C ATOM 1102 C GLU A 70 6.576 -8.772 -3.875 1.00 0.00 C ATOM 1103 O GLU A 70 6.993 -8.266 -2.832 1.00 0.00 O ATOM 1104 CB GLU A 70 7.646 -8.068 -6.024 1.00 0.00 C ATOM 1105 CG GLU A 70 8.946 -7.870 -5.262 1.00 0.00 C ATOM 1106 CD GLU A 70 9.270 -6.407 -5.031 1.00 0.00 C ATOM 1107 OE1 GLU A 70 8.480 -5.548 -5.474 1.00 0.00 O ATOM 1108 OE2 GLU A 70 10.314 -6.121 -4.408 1.00 0.00 O ATOM 0 H GLU A 70 6.317 -6.296 -3.860 1.00 0.00 H new ATOM 0 HA GLU A 70 5.540 -8.340 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.657 -9.051 -6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.588 -7.331 -6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.881 -8.380 -4.301 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.762 -8.336 -5.815 1.00 0.00 H new ATOM 1115 N PRO A 71 6.253 -10.070 -3.960 1.00 0.00 N ATOM 1116 CA PRO A 71 5.755 -10.683 -5.195 1.00 0.00 C ATOM 1117 C PRO A 71 4.350 -10.208 -5.552 1.00 0.00 C ATOM 1118 O PRO A 71 3.459 -10.185 -4.704 1.00 0.00 O ATOM 1119 CB PRO A 71 5.748 -12.179 -4.872 1.00 0.00 C ATOM 1120 CG PRO A 71 5.621 -12.245 -3.389 1.00 0.00 C ATOM 1121 CD PRO A 71 6.347 -11.041 -2.857 1.00 0.00 C ATOM 0 HA PRO A 71 6.371 -10.423 -6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.918 -12.686 -5.364 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.664 -12.662 -5.213 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.574 -12.235 -3.086 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.056 -13.166 -3.001 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.882 -10.661 -1.947 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.384 -11.272 -2.613 1.00 0.00 H new ATOM 1129 N ALA A 72 4.160 -9.832 -6.813 1.00 0.00 N ATOM 1130 CA ALA A 72 2.863 -9.361 -7.282 1.00 0.00 C ATOM 1131 C ALA A 72 1.744 -10.295 -6.831 1.00 0.00 C ATOM 1132 O ALA A 72 0.599 -9.873 -6.670 1.00 0.00 O ATOM 1133 CB ALA A 72 2.865 -9.230 -8.798 1.00 0.00 C ATOM 0 H ALA A 72 4.888 -9.845 -7.527 1.00 0.00 H new ATOM 0 HA ALA A 72 2.681 -8.380 -6.844 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.890 -8.877 -9.134 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.633 -8.518 -9.101 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.074 -10.201 -9.247 1.00 0.00 H new ATOM 1139 N ILE A 73 2.083 -11.564 -6.632 1.00 0.00 N ATOM 1140 CA ILE A 73 1.107 -12.556 -6.200 1.00 0.00 C ATOM 1141 C ILE A 73 1.721 -13.534 -5.204 1.00 0.00 C ATOM 1142 O ILE A 73 2.919 -13.811 -5.248 1.00 0.00 O ATOM 1143 CB ILE A 73 0.540 -13.345 -7.395 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -0.344 -14.493 -6.903 1.00 0.00 C ATOM 1145 CG2 ILE A 73 1.671 -13.875 -8.264 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -1.292 -15.020 -7.957 1.00 0.00 C ATOM 0 H ILE A 73 3.026 -11.929 -6.763 1.00 0.00 H new ATOM 0 HA ILE A 73 0.296 -12.011 -5.717 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.071 -12.673 -7.998 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.292 -15.308 -6.558 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.922 -14.153 -6.043 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.255 -14.430 -9.104 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.264 -13.040 -8.639 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.306 -14.534 -7.672 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.887 -15.832 -7.538 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.953 -14.218 -8.286 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.720 -15.391 -8.808 1.00 0.00 H new ATOM 1158 N GLY A 74 0.890 -14.057 -4.307 1.00 0.00 N ATOM 1159 CA GLY A 74 1.369 -15.000 -3.314 1.00 0.00 C ATOM 1160 C GLY A 74 0.260 -15.505 -2.412 1.00 0.00 C ATOM 1161 O GLY A 74 -0.762 -14.840 -2.239 1.00 0.00 O ATOM 0 H GLY A 74 -0.106 -13.844 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.838 -15.846 -3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.139 -14.524 -2.707 1.00 0.00 H new ATOM 1165 N THR A 75 0.460 -16.686 -1.835 1.00 0.00 N ATOM 1166 CA THR A 75 -0.532 -17.281 -0.948 1.00 0.00 C ATOM 1167 C THR A 75 0.010 -17.417 0.470 1.00 0.00 C ATOM 1168 O THR A 75 1.175 -17.763 0.670 1.00 0.00 O ATOM 1169 CB THR A 75 -0.975 -18.668 -1.451 1.00 0.00 C ATOM 1170 OG1 THR A 75 -0.001 -19.654 -1.091 1.00 0.00 O ATOM 1171 CG2 THR A 75 -1.162 -18.662 -2.961 1.00 0.00 C ATOM 0 H THR A 75 1.300 -17.249 -1.966 1.00 0.00 H new ATOM 0 HA THR A 75 -1.393 -16.612 -0.943 1.00 0.00 H new ATOM 0 HB THR A 75 -1.929 -18.912 -0.983 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.291 -20.533 -1.413 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.475 -19.652 -3.293 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.925 -17.931 -3.230 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.221 -18.398 -3.443 1.00 0.00 H new ATOM 1179 N LEU A 76 -0.842 -17.144 1.452 1.00 0.00 N ATOM 1180 CA LEU A 76 -0.449 -17.236 2.854 1.00 0.00 C ATOM 1181 C LEU A 76 -1.366 -18.187 3.615 1.00 0.00 C ATOM 1182 O LEU A 76 -2.562 -18.267 3.337 1.00 0.00 O ATOM 1183 CB LEU A 76 -0.477 -15.852 3.504 1.00 0.00 C ATOM 1184 CG LEU A 76 -0.004 -15.783 4.957 1.00 0.00 C ATOM 1185 CD1 LEU A 76 1.445 -16.230 5.068 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -0.174 -14.375 5.507 1.00 0.00 C ATOM 0 H LEU A 76 -1.809 -16.857 1.303 1.00 0.00 H new ATOM 0 HA LEU A 76 0.567 -17.629 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.142 -15.181 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.497 -15.471 3.456 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.618 -16.460 5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.764 -16.174 6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.537 -17.257 4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.074 -15.580 4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.168 -14.345 6.542 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.414 -13.678 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.226 -14.092 5.464 1.00 0.00 H new ATOM 1198 N ASN A 77 -0.798 -18.905 4.579 1.00 0.00 N ATOM 1199 CA ASN A 77 -1.566 -19.850 5.382 1.00 0.00 C ATOM 1200 C ASN A 77 -1.943 -19.239 6.728 1.00 0.00 C ATOM 1201 O ASN A 77 -1.280 -18.322 7.213 1.00 0.00 O ATOM 1202 CB ASN A 77 -0.765 -21.136 5.599 1.00 0.00 C ATOM 1203 CG ASN A 77 -0.182 -21.679 4.308 1.00 0.00 C ATOM 1204 OD1 ASN A 77 -0.313 -21.065 3.249 1.00 0.00 O ATOM 1205 ND2 ASN A 77 0.464 -22.836 4.392 1.00 0.00 N ATOM 0 H ASN A 77 0.191 -18.850 4.823 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.482 -20.088 4.841 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.042 -20.943 6.306 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.410 -21.891 6.049 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.877 -23.251 3.557 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.548 -23.309 5.292 1.00 0.00 H new ATOM 1212 N VAL A 78 -3.011 -19.754 7.327 1.00 0.00 N ATOM 1213 CA VAL A 78 -3.476 -19.261 8.618 1.00 0.00 C ATOM 1214 C VAL A 78 -2.459 -19.552 9.716 1.00 0.00 C ATOM 1215 O VAL A 78 -1.710 -20.525 9.641 1.00 0.00 O ATOM 1216 CB VAL A 78 -4.828 -19.890 9.006 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -5.797 -19.836 7.835 1.00 0.00 C ATOM 1218 CG2 VAL A 78 -4.632 -21.322 9.481 1.00 0.00 C ATOM 0 H VAL A 78 -3.571 -20.513 6.939 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.601 -18.183 8.518 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.255 -19.314 9.827 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.746 -20.285 8.127 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.960 -18.798 7.545 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.380 -20.387 6.992 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.597 -21.751 9.751 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.183 -21.912 8.682 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.975 -21.330 10.351 1.00 0.00 H new ATOM 1228 N GLY A 79 -2.439 -18.701 10.738 1.00 0.00 N ATOM 1229 CA GLY A 79 -1.511 -18.884 11.838 1.00 0.00 C ATOM 1230 C GLY A 79 -0.123 -18.364 11.518 1.00 0.00 C ATOM 1231 O GLY A 79 0.592 -17.901 12.406 1.00 0.00 O ATOM 0 H GLY A 79 -3.049 -17.888 10.823 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.893 -18.371 12.721 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.450 -19.944 12.086 1.00 0.00 H new ATOM 1235 N GLU A 80 0.257 -18.440 10.247 1.00 0.00 N ATOM 1236 CA GLU A 80 1.570 -17.974 9.814 1.00 0.00 C ATOM 1237 C GLU A 80 1.488 -16.555 9.259 1.00 0.00 C ATOM 1238 O GLU A 80 0.402 -15.989 9.130 1.00 0.00 O ATOM 1239 CB GLU A 80 2.145 -18.915 8.754 1.00 0.00 C ATOM 1240 CG GLU A 80 2.351 -20.337 9.249 1.00 0.00 C ATOM 1241 CD GLU A 80 3.436 -20.436 10.303 1.00 0.00 C ATOM 1242 OE1 GLU A 80 4.310 -19.546 10.342 1.00 0.00 O ATOM 1243 OE2 GLU A 80 3.410 -21.405 11.091 1.00 0.00 O ATOM 0 H GLU A 80 -0.324 -18.819 9.500 1.00 0.00 H new ATOM 0 HA GLU A 80 2.230 -17.969 10.682 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.476 -18.932 7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.099 -18.518 8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.415 -20.714 9.660 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.609 -20.977 8.406 1.00 0.00 H new ATOM 1250 N SER A 81 2.644 -15.986 8.933 1.00 0.00 N ATOM 1251 CA SER A 81 2.704 -14.631 8.397 1.00 0.00 C ATOM 1252 C SER A 81 3.841 -14.496 7.388 1.00 0.00 C ATOM 1253 O SER A 81 4.649 -15.409 7.222 1.00 0.00 O ATOM 1254 CB SER A 81 2.889 -13.619 9.529 1.00 0.00 C ATOM 1255 OG SER A 81 2.031 -13.910 10.619 1.00 0.00 O ATOM 0 H SER A 81 3.551 -16.442 9.031 1.00 0.00 H new ATOM 0 HA SER A 81 1.762 -14.427 7.887 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.926 -13.630 9.865 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.685 -12.614 9.160 1.00 0.00 H new ATOM 0 HG SER A 81 2.170 -13.250 11.330 1.00 0.00 H new ATOM 1261 N MET A 82 3.895 -13.351 6.717 1.00 0.00 N ATOM 1262 CA MET A 82 4.933 -13.095 5.725 1.00 0.00 C ATOM 1263 C MET A 82 5.177 -11.598 5.567 1.00 0.00 C ATOM 1264 O MET A 82 4.454 -10.779 6.135 1.00 0.00 O ATOM 1265 CB MET A 82 4.542 -13.705 4.378 1.00 0.00 C ATOM 1266 CG MET A 82 3.301 -13.078 3.764 1.00 0.00 C ATOM 1267 SD MET A 82 2.599 -14.080 2.439 1.00 0.00 S ATOM 1268 CE MET A 82 3.718 -13.695 1.094 1.00 0.00 C ATOM 0 H MET A 82 3.233 -12.585 6.842 1.00 0.00 H new ATOM 0 HA MET A 82 5.855 -13.560 6.072 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.375 -13.596 3.684 1.00 0.00 H new ATOM 0 HB3 MET A 82 4.373 -14.774 4.508 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.550 -12.932 4.541 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.552 -12.092 3.374 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.953 -14.606 0.544 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.246 -12.978 0.422 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.636 -13.266 1.496 1.00 0.00 H new ATOM 1278 N GLN A 83 6.199 -11.247 4.792 1.00 0.00 N ATOM 1279 CA GLN A 83 6.537 -9.848 4.561 1.00 0.00 C ATOM 1280 C GLN A 83 6.415 -9.496 3.082 1.00 0.00 C ATOM 1281 O GLN A 83 6.747 -10.301 2.212 1.00 0.00 O ATOM 1282 CB GLN A 83 7.956 -9.557 5.052 1.00 0.00 C ATOM 1283 CG GLN A 83 8.016 -9.078 6.493 1.00 0.00 C ATOM 1284 CD GLN A 83 9.437 -8.893 6.989 1.00 0.00 C ATOM 1285 OE1 GLN A 83 10.382 -9.438 6.417 1.00 0.00 O ATOM 1286 NE2 GLN A 83 9.595 -8.120 8.057 1.00 0.00 N ATOM 0 H GLN A 83 6.807 -11.912 4.314 1.00 0.00 H new ATOM 0 HA GLN A 83 5.833 -9.232 5.121 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.558 -10.460 4.953 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.406 -8.802 4.408 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.479 -8.133 6.580 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.503 -9.797 7.132 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.783 -7.689 8.499 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.528 -7.958 8.435 1.00 0.00 H new ATOM 1295 N LEU A 84 5.937 -8.288 2.805 1.00 0.00 N ATOM 1296 CA LEU A 84 5.770 -7.828 1.430 1.00 0.00 C ATOM 1297 C LEU A 84 6.524 -6.523 1.198 1.00 0.00 C ATOM 1298 O LEU A 84 6.227 -5.504 1.821 1.00 0.00 O ATOM 1299 CB LEU A 84 4.286 -7.637 1.112 1.00 0.00 C ATOM 1300 CG LEU A 84 3.418 -8.894 1.180 1.00 0.00 C ATOM 1301 CD1 LEU A 84 1.947 -8.535 1.035 1.00 0.00 C ATOM 1302 CD2 LEU A 84 3.834 -9.888 0.106 1.00 0.00 C ATOM 0 H LEU A 84 5.658 -7.609 3.514 1.00 0.00 H new ATOM 0 HA LEU A 84 6.182 -8.587 0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.878 -6.900 1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.201 -7.215 0.111 1.00 0.00 H new ATOM 0 HG LEU A 84 3.563 -9.360 2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.344 -9.442 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.656 -7.860 1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.785 -8.045 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.206 -10.776 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.719 -9.431 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.876 -10.170 0.255 1.00 0.00 H new ATOM 1314 N GLU A 85 7.500 -6.561 0.295 1.00 0.00 N ATOM 1315 CA GLU A 85 8.295 -5.380 -0.020 1.00 0.00 C ATOM 1316 C GLU A 85 7.605 -4.528 -1.082 1.00 0.00 C ATOM 1317 O GLU A 85 7.299 -5.005 -2.175 1.00 0.00 O ATOM 1318 CB GLU A 85 9.687 -5.790 -0.504 1.00 0.00 C ATOM 1319 CG GLU A 85 10.667 -6.064 0.624 1.00 0.00 C ATOM 1320 CD GLU A 85 11.802 -6.977 0.202 1.00 0.00 C ATOM 1321 OE1 GLU A 85 11.555 -7.890 -0.614 1.00 0.00 O ATOM 1322 OE2 GLU A 85 12.935 -6.780 0.687 1.00 0.00 O ATOM 0 H GLU A 85 7.758 -7.396 -0.230 1.00 0.00 H new ATOM 0 HA GLU A 85 8.395 -4.787 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.599 -6.683 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.089 -5.001 -1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.079 -5.120 0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.135 -6.515 1.461 1.00 0.00 H new ATOM 1329 N VAL A 86 7.363 -3.263 -0.752 1.00 0.00 N ATOM 1330 CA VAL A 86 6.711 -2.343 -1.676 1.00 0.00 C ATOM 1331 C VAL A 86 7.660 -1.230 -2.104 1.00 0.00 C ATOM 1332 O VAL A 86 8.238 -0.538 -1.267 1.00 0.00 O ATOM 1333 CB VAL A 86 5.452 -1.716 -1.048 1.00 0.00 C ATOM 1334 CG1 VAL A 86 4.911 -0.604 -1.933 1.00 0.00 C ATOM 1335 CG2 VAL A 86 4.391 -2.780 -0.807 1.00 0.00 C ATOM 0 H VAL A 86 7.609 -2.852 0.149 1.00 0.00 H new ATOM 0 HA VAL A 86 6.421 -2.925 -2.551 1.00 0.00 H new ATOM 0 HB VAL A 86 5.725 -1.282 -0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.022 -0.173 -1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.670 0.170 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.653 -1.010 -2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.508 -2.320 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.120 -3.245 -1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.784 -3.539 -0.130 1.00 0.00 H new ATOM 1345 N GLU A 87 7.814 -1.062 -3.414 1.00 0.00 N ATOM 1346 CA GLU A 87 8.694 -0.032 -3.953 1.00 0.00 C ATOM 1347 C GLU A 87 7.885 1.100 -4.581 1.00 0.00 C ATOM 1348 O GLU A 87 6.939 0.860 -5.331 1.00 0.00 O ATOM 1349 CB GLU A 87 9.642 -0.633 -4.993 1.00 0.00 C ATOM 1350 CG GLU A 87 10.897 0.193 -5.221 1.00 0.00 C ATOM 1351 CD GLU A 87 11.828 -0.431 -6.243 1.00 0.00 C ATOM 1352 OE1 GLU A 87 11.411 -1.398 -6.914 1.00 0.00 O ATOM 1353 OE2 GLU A 87 12.974 0.048 -6.371 1.00 0.00 O ATOM 0 H GLU A 87 7.341 -1.625 -4.121 1.00 0.00 H new ATOM 0 HA GLU A 87 9.281 0.376 -3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.929 -1.635 -4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.110 -0.739 -5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.615 1.192 -5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.427 0.310 -4.276 1.00 0.00 H new ATOM 1360 N PHE A 88 8.265 2.334 -4.268 1.00 0.00 N ATOM 1361 CA PHE A 88 7.575 3.504 -4.799 1.00 0.00 C ATOM 1362 C PHE A 88 8.509 4.710 -4.849 1.00 0.00 C ATOM 1363 O PHE A 88 9.131 5.067 -3.850 1.00 0.00 O ATOM 1364 CB PHE A 88 6.348 3.830 -3.946 1.00 0.00 C ATOM 1365 CG PHE A 88 5.916 5.266 -4.041 1.00 0.00 C ATOM 1366 CD1 PHE A 88 5.111 5.693 -5.084 1.00 0.00 C ATOM 1367 CD2 PHE A 88 6.315 6.188 -3.087 1.00 0.00 C ATOM 1368 CE1 PHE A 88 4.711 7.013 -5.174 1.00 0.00 C ATOM 1369 CE2 PHE A 88 5.919 7.509 -3.171 1.00 0.00 C ATOM 1370 CZ PHE A 88 5.116 7.922 -4.217 1.00 0.00 C ATOM 0 H PHE A 88 9.047 2.550 -3.649 1.00 0.00 H new ATOM 0 HA PHE A 88 7.252 3.274 -5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.521 3.189 -4.253 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.566 3.593 -2.905 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.792 4.986 -5.836 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.943 5.870 -2.268 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.082 7.333 -5.992 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.237 8.218 -2.420 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.806 8.954 -4.286 1.00 0.00 H new ATOM 1380 N GLU A 89 8.601 5.332 -6.021 1.00 0.00 N ATOM 1381 CA GLU A 89 9.460 6.496 -6.201 1.00 0.00 C ATOM 1382 C GLU A 89 9.001 7.331 -7.394 1.00 0.00 C ATOM 1383 O GLU A 89 9.245 6.991 -8.552 1.00 0.00 O ATOM 1384 CB GLU A 89 10.913 6.060 -6.398 1.00 0.00 C ATOM 1385 CG GLU A 89 11.115 5.132 -7.584 1.00 0.00 C ATOM 1386 CD GLU A 89 10.133 3.977 -7.594 1.00 0.00 C ATOM 1387 OE1 GLU A 89 9.044 4.128 -8.186 1.00 0.00 O ATOM 1388 OE2 GLU A 89 10.454 2.921 -7.009 1.00 0.00 O ATOM 0 H GLU A 89 8.092 5.049 -6.858 1.00 0.00 H new ATOM 0 HA GLU A 89 9.392 7.109 -5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.534 6.946 -6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.259 5.560 -5.493 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.010 5.701 -8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.132 4.740 -7.565 1.00 0.00 H new ATOM 1395 N PRO A 90 8.320 8.449 -7.106 1.00 0.00 N ATOM 1396 CA PRO A 90 7.813 9.356 -8.141 1.00 0.00 C ATOM 1397 C PRO A 90 8.932 10.104 -8.855 1.00 0.00 C ATOM 1398 O PRO A 90 10.112 9.848 -8.617 1.00 0.00 O ATOM 1399 CB PRO A 90 6.932 10.332 -7.356 1.00 0.00 C ATOM 1400 CG PRO A 90 7.486 10.314 -5.973 1.00 0.00 C ATOM 1401 CD PRO A 90 7.993 8.916 -5.748 1.00 0.00 C ATOM 0 HA PRO A 90 7.283 8.820 -8.928 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.971 11.333 -7.785 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.888 10.020 -7.368 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.289 11.043 -5.865 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.720 10.574 -5.242 1.00 0.00 H new ATOM 0 HD2 PRO A 90 8.868 8.906 -5.098 1.00 0.00 H new ATOM 0 HD3 PRO A 90 7.239 8.286 -5.277 1.00 0.00 H new ATOM 1409 N GLN A 91 8.554 11.030 -9.731 1.00 0.00 N ATOM 1410 CA GLN A 91 9.528 11.815 -10.480 1.00 0.00 C ATOM 1411 C GLN A 91 9.398 13.299 -10.152 1.00 0.00 C ATOM 1412 O GLN A 91 10.386 14.033 -10.150 1.00 0.00 O ATOM 1413 CB GLN A 91 9.345 11.595 -11.982 1.00 0.00 C ATOM 1414 CG GLN A 91 10.148 10.424 -12.527 1.00 0.00 C ATOM 1415 CD GLN A 91 11.625 10.529 -12.205 1.00 0.00 C ATOM 1416 OE1 GLN A 91 12.408 11.062 -12.992 1.00 0.00 O ATOM 1417 NE2 GLN A 91 12.015 10.020 -11.042 1.00 0.00 N ATOM 0 H GLN A 91 7.581 11.255 -9.939 1.00 0.00 H new ATOM 0 HA GLN A 91 10.525 11.483 -10.190 1.00 0.00 H new ATOM 0 HB2 GLN A 91 8.288 11.429 -12.190 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.635 12.502 -12.512 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.755 9.495 -12.113 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.019 10.371 -13.608 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.332 9.587 -10.420 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.997 10.062 -10.771 1.00 0.00 H new ATOM 1426 N SER A 92 8.173 13.735 -9.877 1.00 0.00 N ATOM 1427 CA SER A 92 7.913 15.132 -9.553 1.00 0.00 C ATOM 1428 C SER A 92 7.731 15.316 -8.049 1.00 0.00 C ATOM 1429 O SER A 92 6.770 14.817 -7.463 1.00 0.00 O ATOM 1430 CB SER A 92 6.669 15.627 -10.293 1.00 0.00 C ATOM 1431 OG SER A 92 6.824 15.498 -11.695 1.00 0.00 O ATOM 0 H SER A 92 7.344 13.140 -9.872 1.00 0.00 H new ATOM 0 HA SER A 92 8.774 15.719 -9.872 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.798 15.059 -9.967 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.482 16.670 -10.039 1.00 0.00 H new ATOM 0 HG SER A 92 6.015 15.820 -12.145 1.00 0.00 H new ATOM 1437 N VAL A 93 8.662 16.036 -7.430 1.00 0.00 N ATOM 1438 CA VAL A 93 8.605 16.287 -5.995 1.00 0.00 C ATOM 1439 C VAL A 93 7.247 16.849 -5.589 1.00 0.00 C ATOM 1440 O VAL A 93 6.806 17.873 -6.109 1.00 0.00 O ATOM 1441 CB VAL A 93 9.707 17.268 -5.553 1.00 0.00 C ATOM 1442 CG1 VAL A 93 9.736 18.485 -6.465 1.00 0.00 C ATOM 1443 CG2 VAL A 93 9.502 17.682 -4.104 1.00 0.00 C ATOM 0 H VAL A 93 9.464 16.455 -7.900 1.00 0.00 H new ATOM 0 HA VAL A 93 8.761 15.329 -5.499 1.00 0.00 H new ATOM 0 HB VAL A 93 10.670 16.764 -5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.521 19.167 -6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 93 9.935 18.168 -7.489 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.773 18.994 -6.424 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.290 18.375 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.532 18.168 -3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.537 16.800 -3.465 1.00 0.00 H new ATOM 1453 N GLY A 94 6.588 16.171 -4.654 1.00 0.00 N ATOM 1454 CA GLY A 94 5.286 16.618 -4.193 1.00 0.00 C ATOM 1455 C GLY A 94 4.552 15.551 -3.407 1.00 0.00 C ATOM 1456 O GLY A 94 5.172 14.648 -2.843 1.00 0.00 O ATOM 0 H GLY A 94 6.932 15.321 -4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.409 17.504 -3.570 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.682 16.913 -5.051 1.00 0.00 H new ATOM 1460 N ASP A 95 3.228 15.653 -3.367 1.00 0.00 N ATOM 1461 CA ASP A 95 2.408 14.689 -2.643 1.00 0.00 C ATOM 1462 C ASP A 95 1.615 13.815 -3.610 1.00 0.00 C ATOM 1463 O ASP A 95 0.980 14.316 -4.538 1.00 0.00 O ATOM 1464 CB ASP A 95 1.454 15.412 -1.690 1.00 0.00 C ATOM 1465 CG ASP A 95 0.926 16.708 -2.273 1.00 0.00 C ATOM 1466 OD1 ASP A 95 0.173 16.648 -3.267 1.00 0.00 O ATOM 1467 OD2 ASP A 95 1.267 17.783 -1.735 1.00 0.00 O ATOM 0 H ASP A 95 2.700 16.394 -3.828 1.00 0.00 H new ATOM 0 HA ASP A 95 3.072 14.048 -2.063 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.617 14.756 -1.452 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.971 15.622 -0.753 1.00 0.00 H new ATOM 1472 N HIS A 96 1.657 12.505 -3.387 1.00 0.00 N ATOM 1473 CA HIS A 96 0.943 11.561 -4.239 1.00 0.00 C ATOM 1474 C HIS A 96 0.161 10.556 -3.399 1.00 0.00 C ATOM 1475 O HIS A 96 0.594 10.168 -2.314 1.00 0.00 O ATOM 1476 CB HIS A 96 1.923 10.826 -5.154 1.00 0.00 C ATOM 1477 CG HIS A 96 2.961 11.718 -5.760 1.00 0.00 C ATOM 1478 ND1 HIS A 96 2.923 12.132 -7.075 1.00 0.00 N ATOM 1479 CD2 HIS A 96 4.071 12.278 -5.223 1.00 0.00 C ATOM 1480 CE1 HIS A 96 3.965 12.906 -7.321 1.00 0.00 C ATOM 1481 NE2 HIS A 96 4.677 13.011 -6.213 1.00 0.00 N ATOM 0 H HIS A 96 2.178 12.073 -2.624 1.00 0.00 H new ATOM 0 HA HIS A 96 0.238 12.123 -4.851 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.419 10.040 -4.585 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.365 10.337 -5.953 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.415 12.168 -4.205 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.196 13.373 -8.267 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.537 13.549 -6.110 1.00 0.00 H new ATOM 1490 N SER A 97 -0.995 10.140 -3.908 1.00 0.00 N ATOM 1491 CA SER A 97 -1.840 9.184 -3.202 1.00 0.00 C ATOM 1492 C SER A 97 -2.535 8.245 -4.184 1.00 0.00 C ATOM 1493 O SER A 97 -3.170 8.688 -5.141 1.00 0.00 O ATOM 1494 CB SER A 97 -2.883 9.919 -2.357 1.00 0.00 C ATOM 1495 OG SER A 97 -3.626 10.832 -3.145 1.00 0.00 O ATOM 0 H SER A 97 -1.367 10.450 -4.806 1.00 0.00 H new ATOM 0 HA SER A 97 -1.204 8.590 -2.546 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.558 9.197 -1.898 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.388 10.453 -1.546 1.00 0.00 H new ATOM 0 HG SER A 97 -3.778 10.449 -4.034 1.00 0.00 H new ATOM 1501 N GLY A 98 -2.409 6.944 -3.940 1.00 0.00 N ATOM 1502 CA GLY A 98 -3.030 5.963 -4.810 1.00 0.00 C ATOM 1503 C GLY A 98 -3.848 4.943 -4.044 1.00 0.00 C ATOM 1504 O GLY A 98 -4.342 5.227 -2.953 1.00 0.00 O ATOM 0 H GLY A 98 -1.888 6.552 -3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.672 6.474 -5.528 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.258 5.449 -5.382 1.00 0.00 H new ATOM 1508 N ARG A 99 -3.994 3.752 -4.616 1.00 0.00 N ATOM 1509 CA ARG A 99 -4.761 2.688 -3.981 1.00 0.00 C ATOM 1510 C ARG A 99 -4.257 1.317 -4.421 1.00 0.00 C ATOM 1511 O ARG A 99 -4.062 1.068 -5.612 1.00 0.00 O ATOM 1512 CB ARG A 99 -6.247 2.829 -4.318 1.00 0.00 C ATOM 1513 CG ARG A 99 -7.170 2.302 -3.232 1.00 0.00 C ATOM 1514 CD ARG A 99 -8.622 2.304 -3.686 1.00 0.00 C ATOM 1515 NE ARG A 99 -9.292 3.563 -3.371 1.00 0.00 N ATOM 1516 CZ ARG A 99 -10.608 3.678 -3.225 1.00 0.00 C ATOM 1517 NH1 ARG A 99 -11.389 2.616 -3.364 1.00 0.00 N ATOM 1518 NH2 ARG A 99 -11.144 4.857 -2.938 1.00 0.00 N ATOM 0 H ARG A 99 -3.591 3.500 -5.518 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.630 2.775 -2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.472 3.880 -4.496 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.452 2.297 -5.247 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.874 1.289 -2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.067 2.914 -2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.666 2.129 -4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.153 1.481 -3.207 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.719 4.399 -3.257 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.980 1.708 -3.584 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.399 2.707 -3.251 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.546 5.676 -2.829 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.154 4.944 -2.826 1.00 0.00 H new ATOM 1532 N LEU A 100 -4.047 0.430 -3.454 1.00 0.00 N ATOM 1533 CA LEU A 100 -3.565 -0.916 -3.742 1.00 0.00 C ATOM 1534 C LEU A 100 -4.722 -1.910 -3.790 1.00 0.00 C ATOM 1535 O LEU A 100 -5.315 -2.236 -2.762 1.00 0.00 O ATOM 1536 CB LEU A 100 -2.548 -1.351 -2.686 1.00 0.00 C ATOM 1537 CG LEU A 100 -1.109 -0.883 -2.907 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.259 -1.170 -1.679 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.514 -1.551 -4.138 1.00 0.00 C ATOM 0 H LEU A 100 -4.203 0.619 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.082 -0.901 -4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.883 -0.985 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.551 -2.440 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.119 0.194 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.762 -0.830 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.673 -0.644 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.255 -2.242 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.510 -1.206 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.517 -2.633 -4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.108 -1.293 -5.015 1.00 0.00 H new ATOM 1551 N ILE A 101 -5.034 -2.388 -4.990 1.00 0.00 N ATOM 1552 CA ILE A 101 -6.117 -3.347 -5.171 1.00 0.00 C ATOM 1553 C ILE A 101 -5.590 -4.778 -5.163 1.00 0.00 C ATOM 1554 O ILE A 101 -5.019 -5.246 -6.148 1.00 0.00 O ATOM 1555 CB ILE A 101 -6.875 -3.098 -6.487 1.00 0.00 C ATOM 1556 CG1 ILE A 101 -7.155 -1.604 -6.665 1.00 0.00 C ATOM 1557 CG2 ILE A 101 -8.173 -3.892 -6.510 1.00 0.00 C ATOM 1558 CD1 ILE A 101 -8.005 -1.013 -5.563 1.00 0.00 C ATOM 0 H ILE A 101 -4.553 -2.127 -5.851 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.803 -3.210 -4.335 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.252 -3.433 -7.316 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.207 -1.068 -6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -7.654 -1.448 -7.621 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.697 -3.705 -7.447 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.950 -4.956 -6.425 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.802 -3.585 -5.675 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.163 0.048 -5.755 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.968 -1.523 -5.533 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.498 -1.137 -4.606 1.00 0.00 H new ATOM 1570 N VAL A 102 -5.789 -5.471 -4.046 1.00 0.00 N ATOM 1571 CA VAL A 102 -5.337 -6.850 -3.911 1.00 0.00 C ATOM 1572 C VAL A 102 -6.468 -7.830 -4.203 1.00 0.00 C ATOM 1573 O VAL A 102 -7.346 -8.048 -3.367 1.00 0.00 O ATOM 1574 CB VAL A 102 -4.787 -7.125 -2.499 1.00 0.00 C ATOM 1575 CG1 VAL A 102 -4.117 -8.489 -2.442 1.00 0.00 C ATOM 1576 CG2 VAL A 102 -3.818 -6.028 -2.082 1.00 0.00 C ATOM 0 H VAL A 102 -6.261 -5.099 -3.221 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.538 -6.994 -4.639 1.00 0.00 H new ATOM 0 HB VAL A 102 -5.621 -7.128 -1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -3.735 -8.665 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.843 -9.262 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -3.292 -8.519 -3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.439 -6.238 -1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.986 -5.991 -2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.334 -5.068 -2.080 1.00 0.00 H new ATOM 1586 N CYS A 103 -6.441 -8.418 -5.393 1.00 0.00 N ATOM 1587 CA CYS A 103 -7.464 -9.376 -5.797 1.00 0.00 C ATOM 1588 C CYS A 103 -6.996 -10.807 -5.555 1.00 0.00 C ATOM 1589 O CYS A 103 -5.942 -11.217 -6.043 1.00 0.00 O ATOM 1590 CB CYS A 103 -7.818 -9.185 -7.272 1.00 0.00 C ATOM 1591 SG CYS A 103 -8.580 -7.588 -7.648 1.00 0.00 S ATOM 0 H CYS A 103 -5.722 -8.248 -6.096 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.353 -9.197 -5.192 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.912 -9.293 -7.869 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.498 -9.981 -7.577 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.841 -7.520 -8.920 1.00 0.00 H new ATOM 1597 N TYR A 104 -7.784 -11.562 -4.799 1.00 0.00 N ATOM 1598 CA TYR A 104 -7.448 -12.947 -4.489 1.00 0.00 C ATOM 1599 C TYR A 104 -7.611 -13.836 -5.718 1.00 0.00 C ATOM 1600 O TYR A 104 -8.055 -13.381 -6.772 1.00 0.00 O ATOM 1601 CB TYR A 104 -8.329 -13.465 -3.350 1.00 0.00 C ATOM 1602 CG TYR A 104 -7.957 -12.907 -1.995 1.00 0.00 C ATOM 1603 CD1 TYR A 104 -7.659 -11.560 -1.834 1.00 0.00 C ATOM 1604 CD2 TYR A 104 -7.905 -13.728 -0.875 1.00 0.00 C ATOM 1605 CE1 TYR A 104 -7.318 -11.046 -0.598 1.00 0.00 C ATOM 1606 CE2 TYR A 104 -7.567 -13.223 0.366 1.00 0.00 C ATOM 1607 CZ TYR A 104 -7.274 -11.882 0.499 1.00 0.00 C ATOM 1608 OH TYR A 104 -6.936 -11.374 1.732 1.00 0.00 O ATOM 0 H TYR A 104 -8.660 -11.239 -4.389 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.404 -12.979 -4.176 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -9.368 -13.215 -3.563 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.263 -14.552 -3.316 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.695 -10.903 -2.690 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.133 -14.779 -0.976 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.087 -9.996 -0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -7.532 -13.875 1.227 1.00 0.00 H new ATOM 0 HH TYR A 104 -7.600 -11.656 2.395 1.00 0.00 H new ATOM 1618 N ASP A 105 -7.248 -15.105 -5.574 1.00 0.00 N ATOM 1619 CA ASP A 105 -7.356 -16.060 -6.671 1.00 0.00 C ATOM 1620 C ASP A 105 -8.798 -16.522 -6.850 1.00 0.00 C ATOM 1621 O ASP A 105 -9.169 -17.044 -7.903 1.00 0.00 O ATOM 1622 CB ASP A 105 -6.449 -17.265 -6.416 1.00 0.00 C ATOM 1623 CG ASP A 105 -5.991 -17.927 -7.702 1.00 0.00 C ATOM 1624 OD1 ASP A 105 -5.058 -17.398 -8.342 1.00 0.00 O ATOM 1625 OD2 ASP A 105 -6.565 -18.974 -8.066 1.00 0.00 O ATOM 0 H ASP A 105 -6.876 -15.497 -4.709 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.038 -15.562 -7.587 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -5.577 -16.946 -5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.981 -17.994 -5.805 1.00 0.00 H new ATOM 1630 N THR A 106 -9.609 -16.329 -5.815 1.00 0.00 N ATOM 1631 CA THR A 106 -11.010 -16.728 -5.856 1.00 0.00 C ATOM 1632 C THR A 106 -11.882 -15.616 -6.430 1.00 0.00 C ATOM 1633 O THR A 106 -12.844 -15.878 -7.151 1.00 0.00 O ATOM 1634 CB THR A 106 -11.531 -17.101 -4.455 1.00 0.00 C ATOM 1635 OG1 THR A 106 -12.893 -17.535 -4.538 1.00 0.00 O ATOM 1636 CG2 THR A 106 -11.428 -15.916 -3.507 1.00 0.00 C ATOM 0 H THR A 106 -9.319 -15.898 -4.937 1.00 0.00 H new ATOM 0 HA THR A 106 -11.069 -17.604 -6.502 1.00 0.00 H new ATOM 0 HB THR A 106 -10.915 -17.912 -4.066 1.00 0.00 H new ATOM 0 HG1 THR A 106 -13.216 -17.772 -3.644 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.802 -16.203 -2.524 1.00 0.00 H new ATOM 0 HG22 THR A 106 -10.386 -15.607 -3.423 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.022 -15.088 -3.894 1.00 0.00 H new ATOM 1644 N GLY A 107 -11.537 -14.374 -6.107 1.00 0.00 N ATOM 1645 CA GLY A 107 -12.298 -13.240 -6.599 1.00 0.00 C ATOM 1646 C GLY A 107 -12.305 -12.079 -5.625 1.00 0.00 C ATOM 1647 O GLY A 107 -12.597 -10.945 -6.004 1.00 0.00 O ATOM 0 H GLY A 107 -10.744 -14.132 -5.513 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -11.879 -12.910 -7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.324 -13.552 -6.794 1.00 0.00 H new ATOM 1651 N GLU A 108 -11.984 -12.362 -4.367 1.00 0.00 N ATOM 1652 CA GLU A 108 -11.957 -11.331 -3.335 1.00 0.00 C ATOM 1653 C GLU A 108 -11.081 -10.157 -3.762 1.00 0.00 C ATOM 1654 O GLU A 108 -10.279 -10.271 -4.689 1.00 0.00 O ATOM 1655 CB GLU A 108 -11.444 -11.912 -2.016 1.00 0.00 C ATOM 1656 CG GLU A 108 -12.282 -13.066 -1.492 1.00 0.00 C ATOM 1657 CD GLU A 108 -11.918 -13.452 -0.071 1.00 0.00 C ATOM 1658 OE1 GLU A 108 -11.595 -12.546 0.725 1.00 0.00 O ATOM 1659 OE2 GLU A 108 -11.956 -14.660 0.244 1.00 0.00 O ATOM 0 H GLU A 108 -11.739 -13.296 -4.037 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.975 -10.969 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.418 -12.253 -2.154 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.420 -11.122 -1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.336 -12.792 -1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -12.152 -13.930 -2.144 1.00 0.00 H new ATOM 1666 N LYS A 109 -11.242 -9.028 -3.080 1.00 0.00 N ATOM 1667 CA LYS A 109 -10.467 -7.832 -3.386 1.00 0.00 C ATOM 1668 C LYS A 109 -10.225 -7.004 -2.129 1.00 0.00 C ATOM 1669 O LYS A 109 -10.935 -7.146 -1.133 1.00 0.00 O ATOM 1670 CB LYS A 109 -11.190 -6.985 -4.437 1.00 0.00 C ATOM 1671 CG LYS A 109 -10.284 -5.995 -5.148 1.00 0.00 C ATOM 1672 CD LYS A 109 -10.956 -5.410 -6.379 1.00 0.00 C ATOM 1673 CE LYS A 109 -11.872 -4.252 -6.017 1.00 0.00 C ATOM 1674 NZ LYS A 109 -12.884 -3.991 -7.078 1.00 0.00 N ATOM 0 H LYS A 109 -11.903 -8.917 -2.311 1.00 0.00 H new ATOM 0 HA LYS A 109 -9.502 -8.147 -3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -11.642 -7.646 -5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.003 -6.441 -3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.013 -5.191 -4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -9.358 -6.491 -5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.196 -5.068 -7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.531 -6.186 -6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.379 -4.471 -5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -11.275 -3.354 -5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.489 -3.194 -6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -12.401 -3.757 -7.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.470 -4.839 -7.215 1.00 0.00 H new ATOM 1688 N VAL A 110 -9.219 -6.136 -2.181 1.00 0.00 N ATOM 1689 CA VAL A 110 -8.886 -5.283 -1.047 1.00 0.00 C ATOM 1690 C VAL A 110 -8.545 -3.869 -1.504 1.00 0.00 C ATOM 1691 O VAL A 110 -8.172 -3.651 -2.657 1.00 0.00 O ATOM 1692 CB VAL A 110 -7.699 -5.851 -0.246 1.00 0.00 C ATOM 1693 CG1 VAL A 110 -7.402 -4.977 0.962 1.00 0.00 C ATOM 1694 CG2 VAL A 110 -7.981 -7.284 0.179 1.00 0.00 C ATOM 0 H VAL A 110 -8.621 -6.005 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 110 -9.767 -5.253 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.818 -5.853 -0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -6.561 -5.394 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.154 -3.969 0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.279 -4.940 1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.132 -7.670 0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.874 -7.309 0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.139 -7.901 -0.705 1.00 0.00 H new ATOM 1704 N PHE A 111 -8.676 -2.911 -0.593 1.00 0.00 N ATOM 1705 CA PHE A 111 -8.383 -1.516 -0.903 1.00 0.00 C ATOM 1706 C PHE A 111 -7.477 -0.902 0.161 1.00 0.00 C ATOM 1707 O PHE A 111 -7.845 -0.817 1.332 1.00 0.00 O ATOM 1708 CB PHE A 111 -9.680 -0.712 -1.011 1.00 0.00 C ATOM 1709 CG PHE A 111 -10.576 -1.167 -2.126 1.00 0.00 C ATOM 1710 CD1 PHE A 111 -10.227 -0.943 -3.448 1.00 0.00 C ATOM 1711 CD2 PHE A 111 -11.768 -1.819 -1.853 1.00 0.00 C ATOM 1712 CE1 PHE A 111 -11.051 -1.360 -4.477 1.00 0.00 C ATOM 1713 CE2 PHE A 111 -12.595 -2.239 -2.878 1.00 0.00 C ATOM 1714 CZ PHE A 111 -12.236 -2.010 -4.191 1.00 0.00 C ATOM 0 H PHE A 111 -8.983 -3.075 0.366 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.863 -1.483 -1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -10.222 -0.784 -0.068 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.435 0.340 -1.159 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -9.301 -0.437 -3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -12.054 -2.001 -0.828 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -10.769 -1.178 -5.503 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.521 -2.746 -2.652 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.880 -2.338 -4.993 1.00 0.00 H new ATOM 1724 N VAL A 112 -6.289 -0.475 -0.256 1.00 0.00 N ATOM 1725 CA VAL A 112 -5.330 0.132 0.659 1.00 0.00 C ATOM 1726 C VAL A 112 -4.690 1.370 0.042 1.00 0.00 C ATOM 1727 O VAL A 112 -3.829 1.266 -0.832 1.00 0.00 O ATOM 1728 CB VAL A 112 -4.223 -0.863 1.053 1.00 0.00 C ATOM 1729 CG1 VAL A 112 -3.230 -0.210 2.002 1.00 0.00 C ATOM 1730 CG2 VAL A 112 -4.827 -2.113 1.676 1.00 0.00 C ATOM 0 H VAL A 112 -5.968 -0.538 -1.222 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.884 0.420 1.553 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.686 -1.158 0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.455 -0.929 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.773 0.651 1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.749 0.116 2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.030 -2.805 1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.390 -1.839 2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.494 -2.591 0.958 1.00 0.00 H new ATOM 1740 N SER A 113 -5.115 2.542 0.503 1.00 0.00 N ATOM 1741 CA SER A 113 -4.586 3.802 -0.006 1.00 0.00 C ATOM 1742 C SER A 113 -3.063 3.826 0.082 1.00 0.00 C ATOM 1743 O SER A 113 -2.463 3.097 0.873 1.00 0.00 O ATOM 1744 CB SER A 113 -5.171 4.979 0.777 1.00 0.00 C ATOM 1745 OG SER A 113 -6.588 4.940 0.771 1.00 0.00 O ATOM 0 H SER A 113 -5.825 2.645 1.228 1.00 0.00 H new ATOM 0 HA SER A 113 -4.875 3.892 -1.053 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.807 4.953 1.804 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.828 5.917 0.341 1.00 0.00 H new ATOM 0 HG SER A 113 -6.938 5.701 1.279 1.00 0.00 H new ATOM 1751 N LEU A 114 -2.443 4.668 -0.737 1.00 0.00 N ATOM 1752 CA LEU A 114 -0.989 4.788 -0.754 1.00 0.00 C ATOM 1753 C LEU A 114 -0.557 6.215 -0.431 1.00 0.00 C ATOM 1754 O LEU A 114 -1.358 7.147 -0.498 1.00 0.00 O ATOM 1755 CB LEU A 114 -0.439 4.374 -2.120 1.00 0.00 C ATOM 1756 CG LEU A 114 -0.479 2.878 -2.434 1.00 0.00 C ATOM 1757 CD1 LEU A 114 -0.085 2.625 -3.881 1.00 0.00 C ATOM 1758 CD2 LEU A 114 0.433 2.109 -1.489 1.00 0.00 C ATOM 0 H LEU A 114 -2.924 5.278 -1.398 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.585 4.123 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.001 4.902 -2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.595 4.712 -2.191 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.500 2.524 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.119 1.555 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.779 3.143 -4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.926 2.995 -4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.391 1.046 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.457 2.466 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.105 2.263 -0.461 1.00 0.00 H new ATOM 1770 N TYR A 115 0.714 6.378 -0.082 1.00 0.00 N ATOM 1771 CA TYR A 115 1.253 7.691 0.252 1.00 0.00 C ATOM 1772 C TYR A 115 2.770 7.715 0.090 1.00 0.00 C ATOM 1773 O TYR A 115 3.404 6.674 -0.079 1.00 0.00 O ATOM 1774 CB TYR A 115 0.876 8.071 1.685 1.00 0.00 C ATOM 1775 CG TYR A 115 -0.270 9.053 1.769 1.00 0.00 C ATOM 1776 CD1 TYR A 115 -0.077 10.402 1.499 1.00 0.00 C ATOM 1777 CD2 TYR A 115 -1.547 8.632 2.119 1.00 0.00 C ATOM 1778 CE1 TYR A 115 -1.121 11.303 1.576 1.00 0.00 C ATOM 1779 CE2 TYR A 115 -2.598 9.525 2.197 1.00 0.00 C ATOM 1780 CZ TYR A 115 -2.380 10.860 1.925 1.00 0.00 C ATOM 1781 OH TYR A 115 -3.423 11.754 2.001 1.00 0.00 O ATOM 0 H TYR A 115 1.391 5.617 -0.023 1.00 0.00 H new ATOM 0 HA TYR A 115 0.821 8.418 -0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.610 7.167 2.234 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.748 8.499 2.180 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.907 10.752 1.224 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.721 7.588 2.334 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.953 12.349 1.364 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.585 9.180 2.469 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.242 11.281 2.258 1.00 0.00 H new ATOM 1791 N GLY A 116 3.346 8.912 0.144 1.00 0.00 N ATOM 1792 CA GLY A 116 4.784 9.051 0.002 1.00 0.00 C ATOM 1793 C GLY A 116 5.197 10.466 -0.349 1.00 0.00 C ATOM 1794 O GLY A 116 5.710 10.717 -1.439 1.00 0.00 O ATOM 0 H GLY A 116 2.843 9.788 0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.268 8.755 0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.137 8.370 -0.772 1.00 0.00 H new ATOM 1798 N ALA A 117 4.973 11.393 0.576 1.00 0.00 N ATOM 1799 CA ALA A 117 5.327 12.791 0.359 1.00 0.00 C ATOM 1800 C ALA A 117 6.781 12.927 -0.078 1.00 0.00 C ATOM 1801 O ALA A 117 7.696 12.844 0.741 1.00 0.00 O ATOM 1802 CB ALA A 117 5.075 13.601 1.622 1.00 0.00 C ATOM 0 H ALA A 117 4.548 11.202 1.483 1.00 0.00 H new ATOM 0 HA ALA A 117 4.697 13.180 -0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.344 14.643 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.020 13.538 1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 117 5.680 13.203 2.436 1.00 0.00 H new ATOM 1808 N ALA A 118 6.987 13.136 -1.375 1.00 0.00 N ATOM 1809 CA ALA A 118 8.331 13.285 -1.920 1.00 0.00 C ATOM 1810 C ALA A 118 8.886 14.677 -1.639 1.00 0.00 C ATOM 1811 O ALA A 118 8.130 15.633 -1.462 1.00 0.00 O ATOM 1812 CB ALA A 118 8.326 13.009 -3.417 1.00 0.00 C ATOM 0 H ALA A 118 6.241 13.206 -2.067 1.00 0.00 H new ATOM 0 HA ALA A 118 8.979 12.559 -1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.336 13.124 -3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 118 7.979 11.992 -3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.660 13.714 -3.915 1.00 0.00 H new ATOM 1818 N ILE A 119 10.210 14.783 -1.597 1.00 0.00 N ATOM 1819 CA ILE A 119 10.866 16.059 -1.337 1.00 0.00 C ATOM 1820 C ILE A 119 12.200 16.151 -2.070 1.00 0.00 C ATOM 1821 O ILE A 119 12.935 15.168 -2.167 1.00 0.00 O ATOM 1822 CB ILE A 119 11.104 16.272 0.169 1.00 0.00 C ATOM 1823 CG1 ILE A 119 11.776 15.041 0.781 1.00 0.00 C ATOM 1824 CG2 ILE A 119 9.791 16.572 0.876 1.00 0.00 C ATOM 1825 CD1 ILE A 119 13.283 15.146 0.848 1.00 0.00 C ATOM 0 H ILE A 119 10.849 14.001 -1.740 1.00 0.00 H new ATOM 0 HA ILE A 119 10.198 16.838 -1.705 1.00 0.00 H new ATOM 0 HB ILE A 119 11.767 17.127 0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 119 11.386 14.886 1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 119 11.507 14.162 0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.976 16.720 1.940 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.349 17.475 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.105 15.736 0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 119 13.692 14.239 1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 119 13.684 15.270 -0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 119 13.561 16.006 1.458 1.00 0.00 H new ATOM 1837 N ASP A 120 12.507 17.337 -2.582 1.00 0.00 N ATOM 1838 CA ASP A 120 13.755 17.559 -3.304 1.00 0.00 C ATOM 1839 C ASP A 120 14.949 17.490 -2.357 1.00 0.00 C ATOM 1840 O ASP A 120 14.979 18.165 -1.329 1.00 0.00 O ATOM 1841 CB ASP A 120 13.726 18.915 -4.010 1.00 0.00 C ATOM 1842 CG ASP A 120 15.114 19.421 -4.349 1.00 0.00 C ATOM 1843 OD1 ASP A 120 15.971 18.595 -4.727 1.00 0.00 O ATOM 1844 OD2 ASP A 120 15.344 20.643 -4.236 1.00 0.00 O ATOM 0 H ASP A 120 11.909 18.160 -2.511 1.00 0.00 H new ATOM 0 HA ASP A 120 13.860 16.772 -4.051 1.00 0.00 H new ATOM 0 HB2 ASP A 120 13.139 18.833 -4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 120 13.223 19.642 -3.373 1.00 0.00 H new ATOM 1849 N MET A 121 15.931 16.668 -2.712 1.00 0.00 N ATOM 1850 CA MET A 121 17.129 16.510 -1.894 1.00 0.00 C ATOM 1851 C MET A 121 18.325 17.199 -2.543 1.00 0.00 C ATOM 1852 O MET A 121 19.157 17.793 -1.859 1.00 0.00 O ATOM 1853 CB MET A 121 17.434 15.027 -1.679 1.00 0.00 C ATOM 1854 CG MET A 121 16.377 14.301 -0.862 1.00 0.00 C ATOM 1855 SD MET A 121 17.033 12.856 -0.005 1.00 0.00 S ATOM 1856 CE MET A 121 16.113 12.927 1.530 1.00 0.00 C ATOM 0 H MET A 121 15.921 16.101 -3.560 1.00 0.00 H new ATOM 0 HA MET A 121 16.943 16.978 -0.927 1.00 0.00 H new ATOM 0 HB2 MET A 121 17.529 14.540 -2.649 1.00 0.00 H new ATOM 0 HB3 MET A 121 18.397 14.932 -1.178 1.00 0.00 H new ATOM 0 HG2 MET A 121 15.951 14.989 -0.132 1.00 0.00 H new ATOM 0 HG3 MET A 121 15.565 13.991 -1.519 1.00 0.00 H new ATOM 0 HE1 MET A 121 16.675 12.420 2.315 1.00 0.00 H new ATOM 0 HE2 MET A 121 15.955 13.968 1.811 1.00 0.00 H new ATOM 0 HE3 MET A 121 15.149 12.436 1.399 1.00 0.00 H new ATOM 1866 N ASN A 122 18.404 17.115 -3.867 1.00 0.00 N ATOM 1867 CA ASN A 122 19.499 17.730 -4.608 1.00 0.00 C ATOM 1868 C ASN A 122 19.034 19.002 -5.310 1.00 0.00 C ATOM 1869 O ASN A 122 18.185 18.957 -6.200 1.00 0.00 O ATOM 1870 CB ASN A 122 20.064 16.745 -5.634 1.00 0.00 C ATOM 1871 CG ASN A 122 21.506 17.049 -5.994 1.00 0.00 C ATOM 1872 OD1 ASN A 122 21.842 18.175 -6.361 1.00 0.00 O ATOM 1873 ND2 ASN A 122 22.366 16.043 -5.889 1.00 0.00 N ATOM 0 H ASN A 122 17.723 16.627 -4.449 1.00 0.00 H new ATOM 0 HA ASN A 122 20.282 17.994 -3.898 1.00 0.00 H new ATOM 0 HB2 ASN A 122 19.997 15.732 -5.236 1.00 0.00 H new ATOM 0 HB3 ASN A 122 19.453 16.774 -6.536 1.00 0.00 H new ATOM 0 HD21 ASN A 122 23.350 16.187 -6.117 1.00 0.00 H new ATOM 0 HD22 ASN A 122 22.043 15.126 -5.581 1.00 0.00 H new TER 1880 ASN A 122