USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 711 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 16 ASN : amide:sc= -0.0896 K(o=-2.5,f=-13!) USER MOD Set 1.2: A 17 THR OG1 : rot -135:sc= -2.41! USER MOD Set 1.3: A 55 THR OG1 : rot -107:sc= -0.0112 USER MOD Set 2.1: A 25 MET CE :methyl 155:sc= -1.34 (180deg=-2.47) USER MOD Set 2.2: A 45 MET CE :methyl -108:sc= -2.45 (180deg=-5.18!) USER MOD Set 3.1: A 19 TYR OH : rot 91:sc= 0.228 USER MOD Set 3.2: A 51 CYS SG : rot 18:sc= 0.217 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 23:sc= 0.707 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 21:sc= 0.104 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.997 K(o=-1,f=-2.1!) USER MOD Single : A 56 TYR OH : rot -24:sc= -0.517 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 148:sc= -0.399 (180deg=-1.6!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc=-0.00199 X(o=-0.002,f=-0.13) USER MOD Single : A 70 ASN : amide:sc= -0.0773 X(o=-0.077,f=-0.029) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0117 K(o=-0.012,f=-0.97) USER MOD Single : A 76 SER OG : rot -67:sc= 0.874 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00411) USER MOD Single : A 82 ASN : amide:sc= -0.0833 K(o=-0.083,f=-0.84) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.5) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.708 2.727 1.753 1.00 0.00 N ATOM 2 CA GLY A 1 -13.813 1.951 1.220 1.00 0.00 C ATOM 3 C GLY A 1 -15.074 2.093 2.049 1.00 0.00 C ATOM 4 O GLY A 1 -16.057 2.682 1.600 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.870 2.596 1.151 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.968 3.734 1.771 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.494 2.407 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.016 2.269 0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.527 0.900 1.176 1.00 0.00 H new ATOM 8 N SER A 2 -15.047 1.551 3.262 1.00 0.00 N ATOM 9 CA SER A 2 -16.199 1.615 4.154 1.00 0.00 C ATOM 10 C SER A 2 -15.943 2.586 5.303 1.00 0.00 C ATOM 11 O SER A 2 -15.032 2.388 6.106 1.00 0.00 O ATOM 12 CB SER A 2 -16.520 0.226 4.708 1.00 0.00 C ATOM 13 OG SER A 2 -15.501 -0.222 5.584 1.00 0.00 O ATOM 0 H SER A 2 -14.240 1.063 3.650 1.00 0.00 H new ATOM 0 HA SER A 2 -17.052 1.975 3.579 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.473 0.253 5.237 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.633 -0.480 3.885 1.00 0.00 H new ATOM 0 HG SER A 2 -15.011 0.550 5.937 1.00 0.00 H new ATOM 19 N SER A 3 -16.755 3.637 5.373 1.00 0.00 N ATOM 20 CA SER A 3 -16.615 4.642 6.420 1.00 0.00 C ATOM 21 C SER A 3 -17.970 5.246 6.778 1.00 0.00 C ATOM 22 O SER A 3 -18.897 5.241 5.969 1.00 0.00 O ATOM 23 CB SER A 3 -15.654 5.745 5.973 1.00 0.00 C ATOM 24 OG SER A 3 -14.337 5.244 5.822 1.00 0.00 O ATOM 0 H SER A 3 -17.516 3.814 4.717 1.00 0.00 H new ATOM 0 HA SER A 3 -16.209 4.154 7.306 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.996 6.169 5.029 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.657 6.553 6.705 1.00 0.00 H new ATOM 0 HG SER A 3 -13.743 5.968 5.534 1.00 0.00 H new ATOM 30 N GLY A 4 -18.076 5.766 7.997 1.00 0.00 N ATOM 31 CA GLY A 4 -19.320 6.366 8.441 1.00 0.00 C ATOM 32 C GLY A 4 -19.140 7.800 8.900 1.00 0.00 C ATOM 33 O GLY A 4 -18.697 8.049 10.021 1.00 0.00 O ATOM 0 H GLY A 4 -17.323 5.782 8.685 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.045 6.336 7.628 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.734 5.775 9.258 1.00 0.00 H new ATOM 37 N SER A 5 -19.484 8.745 8.031 1.00 0.00 N ATOM 38 CA SER A 5 -19.354 10.162 8.351 1.00 0.00 C ATOM 39 C SER A 5 -17.943 10.481 8.837 1.00 0.00 C ATOM 40 O SER A 5 -17.759 11.246 9.783 1.00 0.00 O ATOM 41 CB SER A 5 -20.375 10.562 9.417 1.00 0.00 C ATOM 42 OG SER A 5 -21.606 10.942 8.827 1.00 0.00 O ATOM 0 H SER A 5 -19.855 8.555 7.100 1.00 0.00 H new ATOM 0 HA SER A 5 -19.545 10.734 7.443 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.538 9.728 10.100 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.982 11.388 10.010 1.00 0.00 H new ATOM 0 HG SER A 5 -22.242 11.191 9.529 1.00 0.00 H new ATOM 48 N SER A 6 -16.950 9.888 8.182 1.00 0.00 N ATOM 49 CA SER A 6 -15.555 10.105 8.549 1.00 0.00 C ATOM 50 C SER A 6 -14.639 9.902 7.345 1.00 0.00 C ATOM 51 O SER A 6 -14.708 8.880 6.664 1.00 0.00 O ATOM 52 CB SER A 6 -15.149 9.157 9.678 1.00 0.00 C ATOM 53 OG SER A 6 -15.176 7.807 9.246 1.00 0.00 O ATOM 0 H SER A 6 -17.085 9.254 7.395 1.00 0.00 H new ATOM 0 HA SER A 6 -15.451 11.134 8.894 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.148 9.410 10.027 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.824 9.285 10.524 1.00 0.00 H new ATOM 0 HG SER A 6 -15.112 7.775 8.269 1.00 0.00 H new ATOM 59 N GLY A 7 -13.781 10.885 7.090 1.00 0.00 N ATOM 60 CA GLY A 7 -12.863 10.797 5.970 1.00 0.00 C ATOM 61 C GLY A 7 -12.149 12.106 5.700 1.00 0.00 C ATOM 62 O GLY A 7 -12.479 13.133 6.293 1.00 0.00 O ATOM 0 H GLY A 7 -13.705 11.741 7.639 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.126 10.019 6.169 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.412 10.495 5.078 1.00 0.00 H new ATOM 66 N GLU A 8 -11.167 12.070 4.805 1.00 0.00 N ATOM 67 CA GLU A 8 -10.403 13.263 4.461 1.00 0.00 C ATOM 68 C GLU A 8 -10.576 13.614 2.986 1.00 0.00 C ATOM 69 O GLU A 8 -11.153 12.844 2.218 1.00 0.00 O ATOM 70 CB GLU A 8 -8.920 13.055 4.777 1.00 0.00 C ATOM 71 CG GLU A 8 -8.542 13.430 6.200 1.00 0.00 C ATOM 72 CD GLU A 8 -8.365 14.925 6.382 1.00 0.00 C ATOM 73 OE1 GLU A 8 -8.975 15.693 5.610 1.00 0.00 O ATOM 74 OE2 GLU A 8 -7.616 15.326 7.298 1.00 0.00 O ATOM 0 H GLU A 8 -10.882 11.228 4.305 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.782 14.091 5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.664 12.009 4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.323 13.647 4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.313 13.073 6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.616 12.923 6.472 1.00 0.00 H new ATOM 81 N ARG A 9 -10.073 14.782 2.599 1.00 0.00 N ATOM 82 CA ARG A 9 -10.174 15.236 1.217 1.00 0.00 C ATOM 83 C ARG A 9 -8.879 14.960 0.459 1.00 0.00 C ATOM 84 O ARG A 9 -7.830 15.522 0.775 1.00 0.00 O ATOM 85 CB ARG A 9 -10.495 16.731 1.172 1.00 0.00 C ATOM 86 CG ARG A 9 -11.984 17.034 1.160 1.00 0.00 C ATOM 87 CD ARG A 9 -12.253 18.519 1.346 1.00 0.00 C ATOM 88 NE ARG A 9 -13.485 18.940 0.684 1.00 0.00 N ATOM 89 CZ ARG A 9 -13.769 20.205 0.397 1.00 0.00 C ATOM 90 NH1 ARG A 9 -12.914 21.168 0.711 1.00 0.00 N ATOM 91 NH2 ARG A 9 -14.911 20.509 -0.206 1.00 0.00 N ATOM 0 H ARG A 9 -9.592 15.430 3.222 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.981 14.683 0.737 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.041 17.218 2.035 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.037 17.166 0.283 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.416 16.700 0.217 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.477 16.472 1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.318 18.745 2.410 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.415 19.092 0.949 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.164 18.223 0.428 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.035 20.938 1.174 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.135 22.139 0.489 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.571 19.771 -0.449 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.129 21.481 -0.426 1.00 0.00 H new ATOM 105 N ARG A 10 -8.960 14.090 -0.543 1.00 0.00 N ATOM 106 CA ARG A 10 -7.794 13.738 -1.345 1.00 0.00 C ATOM 107 C ARG A 10 -6.954 14.973 -1.655 1.00 0.00 C ATOM 108 O ARG A 10 -7.475 15.991 -2.110 1.00 0.00 O ATOM 109 CB ARG A 10 -8.230 13.063 -2.647 1.00 0.00 C ATOM 110 CG ARG A 10 -8.979 11.758 -2.436 1.00 0.00 C ATOM 111 CD ARG A 10 -9.590 11.250 -3.733 1.00 0.00 C ATOM 112 NE ARG A 10 -10.900 11.845 -3.989 1.00 0.00 N ATOM 113 CZ ARG A 10 -11.961 11.646 -3.216 1.00 0.00 C ATOM 114 NH1 ARG A 10 -11.868 10.874 -2.142 1.00 0.00 N ATOM 115 NH2 ARG A 10 -13.119 12.222 -3.515 1.00 0.00 N ATOM 0 H ARG A 10 -9.820 13.616 -0.819 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.184 13.042 -0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.865 13.750 -3.207 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.349 12.871 -3.260 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.298 11.007 -2.035 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.765 11.904 -1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.920 11.476 -4.563 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.687 10.165 -3.688 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.005 12.446 -4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.980 10.431 -1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.685 10.723 -1.550 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.194 12.818 -4.339 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.933 12.068 -2.921 1.00 0.00 H new ATOM 129 N ALA A 11 -5.653 14.876 -1.406 1.00 0.00 N ATOM 130 CA ALA A 11 -4.741 15.984 -1.660 1.00 0.00 C ATOM 131 C ALA A 11 -3.440 15.492 -2.284 1.00 0.00 C ATOM 132 O ALA A 11 -2.980 14.380 -2.024 1.00 0.00 O ATOM 133 CB ALA A 11 -4.457 16.740 -0.370 1.00 0.00 C ATOM 0 H ALA A 11 -5.206 14.041 -1.028 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.219 16.661 -2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.774 17.565 -0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.390 17.133 0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.003 16.065 0.355 1.00 0.00 H new ATOM 139 N PRO A 12 -2.830 16.338 -3.128 1.00 0.00 N ATOM 140 CA PRO A 12 -1.573 16.011 -3.807 1.00 0.00 C ATOM 141 C PRO A 12 -0.390 15.964 -2.846 1.00 0.00 C ATOM 142 O PRO A 12 -0.067 16.958 -2.196 1.00 0.00 O ATOM 143 CB PRO A 12 -1.402 17.156 -4.809 1.00 0.00 C ATOM 144 CG PRO A 12 -2.161 18.293 -4.217 1.00 0.00 C ATOM 145 CD PRO A 12 -3.322 17.680 -3.484 1.00 0.00 C ATOM 0 HA PRO A 12 -1.604 15.024 -4.268 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.351 17.410 -4.945 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.794 16.886 -5.790 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.533 18.871 -3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.506 18.977 -4.992 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.589 18.258 -2.599 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.212 17.629 -4.112 1.00 0.00 H new ATOM 153 N ARG A 13 0.251 14.803 -2.761 1.00 0.00 N ATOM 154 CA ARG A 13 1.398 14.626 -1.878 1.00 0.00 C ATOM 155 C ARG A 13 2.392 13.632 -2.470 1.00 0.00 C ATOM 156 O ARG A 13 2.025 12.774 -3.274 1.00 0.00 O ATOM 157 CB ARG A 13 0.939 14.146 -0.500 1.00 0.00 C ATOM 158 CG ARG A 13 0.430 12.713 -0.493 1.00 0.00 C ATOM 159 CD ARG A 13 -1.057 12.648 -0.804 1.00 0.00 C ATOM 160 NE ARG A 13 -1.609 11.318 -0.562 1.00 0.00 N ATOM 161 CZ ARG A 13 -2.907 11.042 -0.608 1.00 0.00 C ATOM 162 NH1 ARG A 13 -3.783 11.998 -0.886 1.00 0.00 N ATOM 163 NH2 ARG A 13 -3.333 9.806 -0.376 1.00 0.00 N ATOM 0 H ARG A 13 -0.004 13.971 -3.293 1.00 0.00 H new ATOM 0 HA ARG A 13 1.895 15.590 -1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.770 14.231 0.200 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.149 14.805 -0.139 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.982 12.126 -1.227 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.619 12.264 0.482 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.588 13.378 -0.192 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.222 12.925 -1.845 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.962 10.560 -0.346 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.460 12.949 -1.065 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.779 11.782 -0.921 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.663 9.067 -0.162 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.330 9.595 -0.412 1.00 0.00 H new ATOM 177 N LYS A 14 3.653 13.753 -2.068 1.00 0.00 N ATOM 178 CA LYS A 14 4.701 12.865 -2.557 1.00 0.00 C ATOM 179 C LYS A 14 4.864 11.658 -1.639 1.00 0.00 C ATOM 180 O LYS A 14 4.918 11.797 -0.418 1.00 0.00 O ATOM 181 CB LYS A 14 6.028 13.620 -2.665 1.00 0.00 C ATOM 182 CG LYS A 14 5.998 14.762 -3.666 1.00 0.00 C ATOM 183 CD LYS A 14 7.400 15.223 -4.027 1.00 0.00 C ATOM 184 CE LYS A 14 7.952 16.192 -2.993 1.00 0.00 C ATOM 185 NZ LYS A 14 7.423 17.571 -3.187 1.00 0.00 N ATOM 0 H LYS A 14 3.974 14.458 -1.404 1.00 0.00 H new ATOM 0 HA LYS A 14 4.410 12.510 -3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.293 14.015 -1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.813 12.919 -2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.475 14.443 -4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.435 15.597 -3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.059 14.359 -4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.386 15.703 -5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.695 15.842 -1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.040 16.208 -3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.823 18.201 -2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.690 17.916 -4.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.386 17.560 -3.103 1.00 0.00 H new ATOM 199 N GLY A 15 4.943 10.472 -2.236 1.00 0.00 N ATOM 200 CA GLY A 15 5.100 9.258 -1.457 1.00 0.00 C ATOM 201 C GLY A 15 5.911 8.204 -2.183 1.00 0.00 C ATOM 202 O GLY A 15 5.672 7.928 -3.358 1.00 0.00 O ATOM 0 H GLY A 15 4.901 10.331 -3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.585 9.497 -0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.116 8.854 -1.217 1.00 0.00 H new ATOM 206 N ASN A 16 6.874 7.613 -1.483 1.00 0.00 N ATOM 207 CA ASN A 16 7.724 6.583 -2.070 1.00 0.00 C ATOM 208 C ASN A 16 7.496 5.236 -1.391 1.00 0.00 C ATOM 209 O ASN A 16 7.322 4.214 -2.056 1.00 0.00 O ATOM 210 CB ASN A 16 9.197 6.982 -1.954 1.00 0.00 C ATOM 211 CG ASN A 16 9.686 6.978 -0.519 1.00 0.00 C ATOM 212 OD1 ASN A 16 8.975 7.401 0.392 1.00 0.00 O ATOM 213 ND2 ASN A 16 10.907 6.498 -0.312 1.00 0.00 N ATOM 0 H ASN A 16 7.085 7.830 -0.509 1.00 0.00 H new ATOM 0 HA ASN A 16 7.461 6.487 -3.124 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.804 6.295 -2.544 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.336 7.976 -2.379 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.290 6.470 0.633 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.461 6.158 -1.098 1.00 0.00 H new ATOM 220 N THR A 17 7.496 5.242 -0.061 1.00 0.00 N ATOM 221 CA THR A 17 7.290 4.022 0.708 1.00 0.00 C ATOM 222 C THR A 17 5.805 3.735 0.896 1.00 0.00 C ATOM 223 O THR A 17 4.992 4.655 0.996 1.00 0.00 O ATOM 224 CB THR A 17 7.963 4.110 2.091 1.00 0.00 C ATOM 225 OG1 THR A 17 9.319 4.547 1.950 1.00 0.00 O ATOM 226 CG2 THR A 17 7.930 2.762 2.795 1.00 0.00 C ATOM 0 H THR A 17 7.636 6.079 0.505 1.00 0.00 H new ATOM 0 HA THR A 17 7.745 3.210 0.141 1.00 0.00 H new ATOM 0 HB THR A 17 7.411 4.831 2.694 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.901 3.994 2.512 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.411 2.849 3.769 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.895 2.446 2.928 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.460 2.024 2.193 1.00 0.00 H new ATOM 234 N LEU A 18 5.456 2.454 0.943 1.00 0.00 N ATOM 235 CA LEU A 18 4.067 2.045 1.119 1.00 0.00 C ATOM 236 C LEU A 18 3.932 1.058 2.275 1.00 0.00 C ATOM 237 O LEU A 18 4.741 0.141 2.418 1.00 0.00 O ATOM 238 CB LEU A 18 3.533 1.415 -0.169 1.00 0.00 C ATOM 239 CG LEU A 18 3.967 2.084 -1.473 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.676 1.179 -2.660 1.00 0.00 C ATOM 241 CD2 LEU A 18 3.271 3.427 -1.641 1.00 0.00 C ATOM 0 H LEU A 18 6.116 1.681 0.862 1.00 0.00 H new ATOM 0 HA LEU A 18 3.480 2.933 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.848 0.372 -0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.444 1.419 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 18 5.042 2.257 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.992 1.672 -3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.221 0.242 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.607 0.973 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.592 3.889 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.192 3.277 -1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.530 4.078 -0.806 1.00 0.00 H new ATOM 253 N TYR A 19 2.906 1.253 3.095 1.00 0.00 N ATOM 254 CA TYR A 19 2.665 0.381 4.238 1.00 0.00 C ATOM 255 C TYR A 19 1.725 -0.761 3.864 1.00 0.00 C ATOM 256 O TYR A 19 0.538 -0.548 3.616 1.00 0.00 O ATOM 257 CB TYR A 19 2.076 1.181 5.402 1.00 0.00 C ATOM 258 CG TYR A 19 2.072 0.429 6.713 1.00 0.00 C ATOM 259 CD1 TYR A 19 1.151 -0.583 6.954 1.00 0.00 C ATOM 260 CD2 TYR A 19 2.991 0.729 7.711 1.00 0.00 C ATOM 261 CE1 TYR A 19 1.144 -1.272 8.151 1.00 0.00 C ATOM 262 CE2 TYR A 19 2.992 0.044 8.911 1.00 0.00 C ATOM 263 CZ TYR A 19 2.066 -0.955 9.126 1.00 0.00 C ATOM 264 OH TYR A 19 2.063 -1.640 10.320 1.00 0.00 O ATOM 0 H TYR A 19 2.228 2.007 2.990 1.00 0.00 H new ATOM 0 HA TYR A 19 3.620 -0.045 4.545 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.645 2.103 5.523 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.054 1.468 5.154 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.428 -0.835 6.192 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.717 1.511 7.546 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.420 -2.055 8.322 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.714 0.290 9.676 1.00 0.00 H new ATOM 0 HH TYR A 19 2.666 -2.410 10.257 1.00 0.00 H new ATOM 274 N VAL A 20 2.265 -1.975 3.826 1.00 0.00 N ATOM 275 CA VAL A 20 1.475 -3.152 3.485 1.00 0.00 C ATOM 276 C VAL A 20 1.190 -4.000 4.719 1.00 0.00 C ATOM 277 O VAL A 20 1.985 -4.034 5.659 1.00 0.00 O ATOM 278 CB VAL A 20 2.190 -4.021 2.433 1.00 0.00 C ATOM 279 CG1 VAL A 20 1.249 -5.086 1.891 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.733 -3.155 1.307 1.00 0.00 C ATOM 0 H VAL A 20 3.246 -2.169 4.027 1.00 0.00 H new ATOM 0 HA VAL A 20 0.533 -2.792 3.070 1.00 0.00 H new ATOM 0 HB VAL A 20 3.031 -4.523 2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.772 -5.690 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.913 -5.725 2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.387 -4.607 1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.235 -3.785 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.911 -2.624 0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.443 -2.434 1.712 1.00 0.00 H new ATOM 290 N TYR A 21 0.052 -4.684 4.710 1.00 0.00 N ATOM 291 CA TYR A 21 -0.340 -5.532 5.830 1.00 0.00 C ATOM 292 C TYR A 21 -0.949 -6.840 5.337 1.00 0.00 C ATOM 293 O TYR A 21 -1.955 -6.842 4.628 1.00 0.00 O ATOM 294 CB TYR A 21 -1.338 -4.798 6.727 1.00 0.00 C ATOM 295 CG TYR A 21 -1.959 -5.677 7.789 1.00 0.00 C ATOM 296 CD1 TYR A 21 -2.969 -6.577 7.471 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.536 -5.608 9.111 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.539 -7.382 8.437 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.099 -6.411 10.084 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.101 -7.296 9.742 1.00 0.00 C ATOM 301 OH TYR A 21 -3.665 -8.096 10.709 1.00 0.00 O ATOM 0 H TYR A 21 -0.616 -4.668 3.939 1.00 0.00 H new ATOM 0 HA TYR A 21 0.555 -5.765 6.407 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.833 -3.961 7.210 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.130 -4.377 6.107 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.314 -6.648 6.450 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.754 -4.915 9.382 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.324 -8.075 8.172 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.757 -6.346 11.106 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.242 -7.912 11.574 1.00 0.00 H new ATOM 311 N GLY A 22 -0.331 -7.954 5.718 1.00 0.00 N ATOM 312 CA GLY A 22 -0.826 -9.255 5.306 1.00 0.00 C ATOM 313 C GLY A 22 -0.840 -10.257 6.443 1.00 0.00 C ATOM 314 O GLY A 22 -0.558 -9.907 7.589 1.00 0.00 O ATOM 0 H GLY A 22 0.503 -7.979 6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.835 -9.147 4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.204 -9.637 4.497 1.00 0.00 H new ATOM 318 N GLU A 23 -1.172 -11.504 6.127 1.00 0.00 N ATOM 319 CA GLU A 23 -1.224 -12.559 7.133 1.00 0.00 C ATOM 320 C GLU A 23 -0.416 -13.775 6.690 1.00 0.00 C ATOM 321 O GLU A 23 0.537 -14.178 7.357 1.00 0.00 O ATOM 322 CB GLU A 23 -2.674 -12.966 7.402 1.00 0.00 C ATOM 323 CG GLU A 23 -3.498 -11.879 8.070 1.00 0.00 C ATOM 324 CD GLU A 23 -4.597 -12.438 8.952 1.00 0.00 C ATOM 325 OE1 GLU A 23 -4.421 -13.554 9.485 1.00 0.00 O ATOM 326 OE2 GLU A 23 -5.633 -11.759 9.111 1.00 0.00 O ATOM 0 H GLU A 23 -1.409 -11.809 5.183 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.787 -12.170 8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.146 -13.240 6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.682 -13.855 8.033 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.842 -11.248 8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.941 -11.242 7.304 1.00 0.00 H new ATOM 333 N ASP A 24 -0.804 -14.355 5.559 1.00 0.00 N ATOM 334 CA ASP A 24 -0.116 -15.525 5.025 1.00 0.00 C ATOM 335 C ASP A 24 0.677 -15.164 3.773 1.00 0.00 C ATOM 336 O ASP A 24 0.621 -15.870 2.767 1.00 0.00 O ATOM 337 CB ASP A 24 -1.122 -16.632 4.705 1.00 0.00 C ATOM 338 CG ASP A 24 -1.824 -17.152 5.944 1.00 0.00 C ATOM 339 OD1 ASP A 24 -1.179 -17.874 6.733 1.00 0.00 O ATOM 340 OD2 ASP A 24 -3.019 -16.836 6.125 1.00 0.00 O ATOM 0 H ASP A 24 -1.591 -14.034 4.995 1.00 0.00 H new ATOM 0 HA ASP A 24 0.580 -15.885 5.783 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.864 -16.253 4.003 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.607 -17.455 4.210 1.00 0.00 H new ATOM 345 N MET A 25 1.415 -14.061 3.844 1.00 0.00 N ATOM 346 CA MET A 25 2.220 -13.607 2.716 1.00 0.00 C ATOM 347 C MET A 25 3.702 -13.596 3.076 1.00 0.00 C ATOM 348 O MET A 25 4.068 -13.476 4.246 1.00 0.00 O ATOM 349 CB MET A 25 1.779 -12.209 2.277 1.00 0.00 C ATOM 350 CG MET A 25 1.224 -11.363 3.411 1.00 0.00 C ATOM 351 SD MET A 25 2.454 -11.009 4.681 1.00 0.00 S ATOM 352 CE MET A 25 2.612 -9.233 4.513 1.00 0.00 C ATOM 0 H MET A 25 1.472 -13.465 4.670 1.00 0.00 H new ATOM 0 HA MET A 25 2.070 -14.303 1.891 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.629 -11.692 1.831 1.00 0.00 H new ATOM 0 HB3 MET A 25 1.020 -12.304 1.500 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.845 -10.425 3.007 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.378 -11.880 3.864 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.958 -8.808 5.455 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.331 -9.004 3.726 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.643 -8.804 4.256 1.00 0.00 H new ATOM 362 N THR A 26 4.554 -13.723 2.062 1.00 0.00 N ATOM 363 CA THR A 26 5.996 -13.729 2.272 1.00 0.00 C ATOM 364 C THR A 26 6.677 -12.650 1.437 1.00 0.00 C ATOM 365 O THR A 26 6.150 -12.189 0.425 1.00 0.00 O ATOM 366 CB THR A 26 6.609 -15.098 1.921 1.00 0.00 C ATOM 367 OG1 THR A 26 5.909 -15.678 0.815 1.00 0.00 O ATOM 368 CG2 THR A 26 6.551 -16.038 3.115 1.00 0.00 C ATOM 0 H THR A 26 4.269 -13.823 1.088 1.00 0.00 H new ATOM 0 HA THR A 26 6.163 -13.525 3.330 1.00 0.00 H new ATOM 0 HB THR A 26 7.654 -14.946 1.649 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.305 -16.547 0.597 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.989 -16.998 2.844 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.109 -15.606 3.946 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.513 -16.184 3.413 1.00 0.00 H new ATOM 376 N PRO A 27 7.878 -12.238 1.869 1.00 0.00 N ATOM 377 CA PRO A 27 8.659 -11.209 1.175 1.00 0.00 C ATOM 378 C PRO A 27 8.748 -11.464 -0.326 1.00 0.00 C ATOM 379 O PRO A 27 8.242 -10.681 -1.131 1.00 0.00 O ATOM 380 CB PRO A 27 10.043 -11.318 1.819 1.00 0.00 C ATOM 381 CG PRO A 27 9.786 -11.879 3.175 1.00 0.00 C ATOM 382 CD PRO A 27 8.567 -12.743 3.068 1.00 0.00 C ATOM 0 HA PRO A 27 8.207 -10.222 1.270 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.699 -11.967 1.240 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.530 -10.345 1.879 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.641 -12.460 3.520 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.630 -11.080 3.900 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.831 -13.795 2.963 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.939 -12.659 3.955 1.00 0.00 H new ATOM 390 N THR A 28 9.395 -12.565 -0.697 1.00 0.00 N ATOM 391 CA THR A 28 9.551 -12.922 -2.101 1.00 0.00 C ATOM 392 C THR A 28 8.235 -12.774 -2.856 1.00 0.00 C ATOM 393 O THR A 28 8.222 -12.434 -4.040 1.00 0.00 O ATOM 394 CB THR A 28 10.061 -14.367 -2.260 1.00 0.00 C ATOM 395 OG1 THR A 28 11.333 -14.511 -1.619 1.00 0.00 O ATOM 396 CG2 THR A 28 10.182 -14.740 -3.729 1.00 0.00 C ATOM 0 H THR A 28 9.819 -13.224 -0.044 1.00 0.00 H new ATOM 0 HA THR A 28 10.287 -12.236 -2.521 1.00 0.00 H new ATOM 0 HB THR A 28 9.340 -15.037 -1.790 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.649 -15.433 -1.723 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.544 -15.765 -3.816 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.206 -14.658 -4.207 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.883 -14.065 -4.219 1.00 0.00 H new ATOM 404 N LEU A 29 7.130 -13.030 -2.165 1.00 0.00 N ATOM 405 CA LEU A 29 5.807 -12.925 -2.771 1.00 0.00 C ATOM 406 C LEU A 29 5.495 -11.480 -3.148 1.00 0.00 C ATOM 407 O LEU A 29 5.061 -11.198 -4.266 1.00 0.00 O ATOM 408 CB LEU A 29 4.741 -13.455 -1.811 1.00 0.00 C ATOM 409 CG LEU A 29 3.401 -13.836 -2.440 1.00 0.00 C ATOM 410 CD1 LEU A 29 2.574 -14.667 -1.472 1.00 0.00 C ATOM 411 CD2 LEU A 29 2.637 -12.590 -2.864 1.00 0.00 C ATOM 0 H LEU A 29 7.124 -13.312 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 29 5.801 -13.528 -3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.143 -14.331 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.559 -12.698 -1.048 1.00 0.00 H new ATOM 0 HG LEU A 29 3.596 -14.438 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.624 -14.929 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.117 -15.578 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.388 -14.091 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.686 -12.881 -3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.453 -11.962 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.225 -12.034 -3.594 1.00 0.00 H new ATOM 423 N LEU A 30 5.720 -10.567 -2.209 1.00 0.00 N ATOM 424 CA LEU A 30 5.465 -9.150 -2.443 1.00 0.00 C ATOM 425 C LEU A 30 6.355 -8.614 -3.560 1.00 0.00 C ATOM 426 O LEU A 30 5.967 -7.706 -4.295 1.00 0.00 O ATOM 427 CB LEU A 30 5.699 -8.351 -1.160 1.00 0.00 C ATOM 428 CG LEU A 30 5.149 -8.969 0.126 1.00 0.00 C ATOM 429 CD1 LEU A 30 5.245 -7.981 1.277 1.00 0.00 C ATOM 430 CD2 LEU A 30 3.709 -9.421 -0.073 1.00 0.00 C ATOM 0 H LEU A 30 6.078 -10.783 -1.279 1.00 0.00 H new ATOM 0 HA LEU A 30 4.424 -9.038 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.772 -8.204 -1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.254 -7.364 -1.284 1.00 0.00 H new ATOM 0 HG LEU A 30 5.752 -9.842 0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.849 -8.439 2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.288 -7.707 1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.667 -7.088 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.334 -9.858 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.093 -8.564 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.668 -10.165 -0.869 1.00 0.00 H new ATOM 442 N ARG A 31 7.551 -9.182 -3.681 1.00 0.00 N ATOM 443 CA ARG A 31 8.496 -8.762 -4.708 1.00 0.00 C ATOM 444 C ARG A 31 7.868 -8.854 -6.096 1.00 0.00 C ATOM 445 O ARG A 31 8.018 -7.952 -6.918 1.00 0.00 O ATOM 446 CB ARG A 31 9.760 -9.621 -4.650 1.00 0.00 C ATOM 447 CG ARG A 31 10.779 -9.137 -3.631 1.00 0.00 C ATOM 448 CD ARG A 31 12.191 -9.552 -4.015 1.00 0.00 C ATOM 449 NE ARG A 31 12.304 -10.995 -4.208 1.00 0.00 N ATOM 450 CZ ARG A 31 13.451 -11.615 -4.462 1.00 0.00 C ATOM 451 NH1 ARG A 31 14.578 -10.921 -4.552 1.00 0.00 N ATOM 452 NH2 ARG A 31 13.474 -12.932 -4.625 1.00 0.00 N ATOM 0 H ARG A 31 7.888 -9.934 -3.080 1.00 0.00 H new ATOM 0 HA ARG A 31 8.763 -7.722 -4.517 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.481 -10.648 -4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.224 -9.637 -5.636 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.727 -8.051 -3.550 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.534 -9.542 -2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.483 -9.040 -4.932 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.886 -9.235 -3.238 1.00 0.00 H new ATOM 0 HE ARG A 31 11.456 -11.558 -4.144 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.565 -9.909 -4.426 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.457 -11.400 -4.747 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.610 -13.470 -4.555 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.356 -13.406 -4.820 1.00 0.00 H new ATOM 466 N GLY A 32 7.163 -9.953 -6.348 1.00 0.00 N ATOM 467 CA GLY A 32 6.523 -10.144 -7.637 1.00 0.00 C ATOM 468 C GLY A 32 5.110 -9.597 -7.670 1.00 0.00 C ATOM 469 O GLY A 32 4.450 -9.625 -8.708 1.00 0.00 O ATOM 0 H GLY A 32 7.024 -10.714 -5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.116 -9.655 -8.410 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.503 -11.207 -7.875 1.00 0.00 H new ATOM 473 N ALA A 33 4.644 -9.099 -6.529 1.00 0.00 N ATOM 474 CA ALA A 33 3.300 -8.543 -6.431 1.00 0.00 C ATOM 475 C ALA A 33 3.318 -7.029 -6.612 1.00 0.00 C ATOM 476 O ALA A 33 2.411 -6.455 -7.215 1.00 0.00 O ATOM 477 CB ALA A 33 2.673 -8.910 -5.094 1.00 0.00 C ATOM 0 H ALA A 33 5.177 -9.069 -5.660 1.00 0.00 H new ATOM 0 HA ALA A 33 2.697 -8.971 -7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.670 -8.488 -5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.616 -9.995 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.283 -8.510 -4.284 1.00 0.00 H new ATOM 483 N PHE A 34 4.355 -6.387 -6.086 1.00 0.00 N ATOM 484 CA PHE A 34 4.490 -4.939 -6.187 1.00 0.00 C ATOM 485 C PHE A 34 5.347 -4.556 -7.391 1.00 0.00 C ATOM 486 O PHE A 34 5.320 -3.413 -7.847 1.00 0.00 O ATOM 487 CB PHE A 34 5.106 -4.371 -4.907 1.00 0.00 C ATOM 488 CG PHE A 34 4.160 -4.360 -3.740 1.00 0.00 C ATOM 489 CD1 PHE A 34 3.841 -5.534 -3.079 1.00 0.00 C ATOM 490 CD2 PHE A 34 3.591 -3.174 -3.306 1.00 0.00 C ATOM 491 CE1 PHE A 34 2.970 -5.526 -2.005 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.719 -3.160 -2.233 1.00 0.00 C ATOM 493 CZ PHE A 34 2.410 -4.337 -1.581 1.00 0.00 C ATOM 0 H PHE A 34 5.115 -6.847 -5.585 1.00 0.00 H new ATOM 0 HA PHE A 34 3.495 -4.515 -6.321 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.986 -4.958 -4.645 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.447 -3.353 -5.098 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.277 -6.466 -3.406 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.831 -2.250 -3.811 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.728 -6.449 -1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.280 -2.229 -1.905 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.731 -4.328 -0.741 1.00 0.00 H new ATOM 503 N SER A 35 6.107 -5.520 -7.900 1.00 0.00 N ATOM 504 CA SER A 35 6.975 -5.284 -9.047 1.00 0.00 C ATOM 505 C SER A 35 6.167 -4.813 -10.252 1.00 0.00 C ATOM 506 O SER A 35 6.528 -3.857 -10.939 1.00 0.00 O ATOM 507 CB SER A 35 7.746 -6.557 -9.401 1.00 0.00 C ATOM 508 OG SER A 35 7.976 -6.643 -10.797 1.00 0.00 O ATOM 0 H SER A 35 6.139 -6.472 -7.536 1.00 0.00 H new ATOM 0 HA SER A 35 7.685 -4.501 -8.779 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.698 -6.568 -8.871 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.185 -7.430 -9.067 1.00 0.00 H new ATOM 0 HG SER A 35 8.472 -7.464 -10.997 1.00 0.00 H new ATOM 514 N PRO A 36 5.045 -5.500 -10.516 1.00 0.00 N ATOM 515 CA PRO A 36 4.161 -5.171 -11.638 1.00 0.00 C ATOM 516 C PRO A 36 3.841 -3.681 -11.707 1.00 0.00 C ATOM 517 O PRO A 36 3.757 -3.104 -12.791 1.00 0.00 O ATOM 518 CB PRO A 36 2.894 -5.977 -11.340 1.00 0.00 C ATOM 519 CG PRO A 36 3.362 -7.124 -10.512 1.00 0.00 C ATOM 520 CD PRO A 36 4.554 -6.650 -9.739 1.00 0.00 C ATOM 0 HA PRO A 36 4.617 -5.408 -12.599 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.159 -5.376 -10.805 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.417 -6.320 -12.258 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.574 -7.460 -9.838 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.625 -7.973 -11.143 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.282 -6.360 -8.724 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.312 -7.429 -9.656 1.00 0.00 H new ATOM 528 N PHE A 37 3.664 -3.065 -10.543 1.00 0.00 N ATOM 529 CA PHE A 37 3.353 -1.642 -10.471 1.00 0.00 C ATOM 530 C PHE A 37 4.590 -0.799 -10.766 1.00 0.00 C ATOM 531 O PHE A 37 4.504 0.246 -11.410 1.00 0.00 O ATOM 532 CB PHE A 37 2.799 -1.288 -9.090 1.00 0.00 C ATOM 533 CG PHE A 37 1.429 -1.850 -8.832 1.00 0.00 C ATOM 534 CD1 PHE A 37 1.275 -3.131 -8.327 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.297 -1.096 -9.095 1.00 0.00 C ATOM 536 CE1 PHE A 37 0.017 -3.650 -8.088 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.964 -1.610 -8.857 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.104 -2.889 -8.355 1.00 0.00 C ATOM 0 H PHE A 37 3.731 -3.529 -9.637 1.00 0.00 H new ATOM 0 HA PHE A 37 2.597 -1.423 -11.225 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.484 -1.657 -8.327 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.763 -0.203 -8.989 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.148 -3.731 -8.118 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.401 -0.096 -9.490 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.089 -4.649 -7.693 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.839 -1.012 -9.063 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.089 -3.293 -8.172 1.00 0.00 H new ATOM 548 N GLY A 38 5.742 -1.261 -10.288 1.00 0.00 N ATOM 549 CA GLY A 38 6.981 -0.538 -10.509 1.00 0.00 C ATOM 550 C GLY A 38 8.186 -1.268 -9.951 1.00 0.00 C ATOM 551 O GLY A 38 8.126 -2.469 -9.689 1.00 0.00 O ATOM 0 H GLY A 38 5.839 -2.123 -9.752 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.120 -0.379 -11.578 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.911 0.447 -10.047 1.00 0.00 H new ATOM 555 N ASN A 39 9.284 -0.542 -9.769 1.00 0.00 N ATOM 556 CA ASN A 39 10.510 -1.129 -9.240 1.00 0.00 C ATOM 557 C ASN A 39 10.583 -0.961 -7.725 1.00 0.00 C ATOM 558 O ASN A 39 10.370 0.132 -7.201 1.00 0.00 O ATOM 559 CB ASN A 39 11.733 -0.485 -9.896 1.00 0.00 C ATOM 560 CG ASN A 39 13.029 -1.157 -9.487 1.00 0.00 C ATOM 561 OD1 ASN A 39 13.150 -2.381 -9.537 1.00 0.00 O ATOM 562 ND2 ASN A 39 14.007 -0.357 -9.079 1.00 0.00 N ATOM 0 H ASN A 39 9.350 0.454 -9.980 1.00 0.00 H new ATOM 0 HA ASN A 39 10.502 -2.194 -9.470 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.628 -0.533 -10.980 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.773 0.570 -9.626 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.902 -0.752 -8.791 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.863 0.652 -9.053 1.00 0.00 H new ATOM 569 N ILE A 40 10.887 -2.051 -7.029 1.00 0.00 N ATOM 570 CA ILE A 40 10.991 -2.024 -5.575 1.00 0.00 C ATOM 571 C ILE A 40 12.427 -1.767 -5.131 1.00 0.00 C ATOM 572 O ILE A 40 13.317 -2.583 -5.370 1.00 0.00 O ATOM 573 CB ILE A 40 10.502 -3.344 -4.951 1.00 0.00 C ATOM 574 CG1 ILE A 40 9.109 -3.698 -5.478 1.00 0.00 C ATOM 575 CG2 ILE A 40 10.489 -3.240 -3.433 1.00 0.00 C ATOM 576 CD1 ILE A 40 8.684 -5.114 -5.160 1.00 0.00 C ATOM 0 H ILE A 40 11.066 -2.964 -7.448 1.00 0.00 H new ATOM 0 HA ILE A 40 10.355 -1.210 -5.229 1.00 0.00 H new ATOM 0 HB ILE A 40 11.191 -4.140 -5.235 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.382 -3.005 -5.054 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.091 -3.556 -6.559 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.141 -4.181 -3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.496 -3.030 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.820 -2.435 -3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.688 -5.294 -5.564 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.389 -5.815 -5.607 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.669 -5.255 -4.079 1.00 0.00 H new ATOM 588 N ILE A 41 12.644 -0.628 -4.482 1.00 0.00 N ATOM 589 CA ILE A 41 13.972 -0.264 -4.002 1.00 0.00 C ATOM 590 C ILE A 41 14.122 -0.572 -2.516 1.00 0.00 C ATOM 591 O ILE A 41 15.236 -0.677 -2.003 1.00 0.00 O ATOM 592 CB ILE A 41 14.266 1.229 -4.238 1.00 0.00 C ATOM 593 CG1 ILE A 41 13.041 2.075 -3.883 1.00 0.00 C ATOM 594 CG2 ILE A 41 14.680 1.466 -5.682 1.00 0.00 C ATOM 595 CD1 ILE A 41 13.298 3.565 -3.943 1.00 0.00 C ATOM 0 H ILE A 41 11.918 0.058 -4.276 1.00 0.00 H new ATOM 0 HA ILE A 41 14.687 -0.860 -4.568 1.00 0.00 H new ATOM 0 HB ILE A 41 15.091 1.528 -3.591 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.228 1.827 -4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.706 1.812 -2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 41 14.884 2.526 -5.833 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.578 0.889 -5.903 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.875 1.154 -6.347 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.387 4.102 -3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 41 14.089 3.826 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.603 3.841 -4.952 1.00 0.00 H new ATOM 607 N ASP A 42 12.994 -0.718 -1.831 1.00 0.00 N ATOM 608 CA ASP A 42 12.999 -1.018 -0.404 1.00 0.00 C ATOM 609 C ASP A 42 11.808 -1.893 -0.028 1.00 0.00 C ATOM 610 O ASP A 42 10.662 -1.440 -0.040 1.00 0.00 O ATOM 611 CB ASP A 42 12.975 0.276 0.411 1.00 0.00 C ATOM 612 CG ASP A 42 13.656 0.126 1.757 1.00 0.00 C ATOM 613 OD1 ASP A 42 14.893 -0.045 1.780 1.00 0.00 O ATOM 614 OD2 ASP A 42 12.952 0.179 2.788 1.00 0.00 O ATOM 0 H ASP A 42 12.064 -0.633 -2.241 1.00 0.00 H new ATOM 0 HA ASP A 42 13.914 -1.565 -0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.466 1.067 -0.155 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.941 0.587 0.563 1.00 0.00 H new ATOM 619 N LEU A 43 12.084 -3.149 0.306 1.00 0.00 N ATOM 620 CA LEU A 43 11.035 -4.089 0.685 1.00 0.00 C ATOM 621 C LEU A 43 11.408 -4.835 1.962 1.00 0.00 C ATOM 622 O LEU A 43 12.264 -5.720 1.948 1.00 0.00 O ATOM 623 CB LEU A 43 10.783 -5.086 -0.447 1.00 0.00 C ATOM 624 CG LEU A 43 10.082 -6.386 -0.053 1.00 0.00 C ATOM 625 CD1 LEU A 43 8.792 -6.091 0.698 1.00 0.00 C ATOM 626 CD2 LEU A 43 9.802 -7.236 -1.284 1.00 0.00 C ATOM 0 H LEU A 43 13.026 -3.540 0.322 1.00 0.00 H new ATOM 0 HA LEU A 43 10.123 -3.522 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.185 -4.592 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.741 -5.337 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 43 10.743 -6.946 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.307 -7.028 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.018 -5.524 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.125 -5.509 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.303 -8.157 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.161 -6.683 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.742 -7.478 -1.781 1.00 0.00 H new ATOM 638 N SER A 44 10.759 -4.474 3.064 1.00 0.00 N ATOM 639 CA SER A 44 11.023 -5.109 4.350 1.00 0.00 C ATOM 640 C SER A 44 9.780 -5.825 4.868 1.00 0.00 C ATOM 641 O SER A 44 8.657 -5.355 4.683 1.00 0.00 O ATOM 642 CB SER A 44 11.489 -4.068 5.370 1.00 0.00 C ATOM 643 OG SER A 44 11.622 -4.641 6.659 1.00 0.00 O ATOM 0 H SER A 44 10.046 -3.745 3.092 1.00 0.00 H new ATOM 0 HA SER A 44 11.813 -5.847 4.208 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.444 -3.648 5.055 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.775 -3.245 5.406 1.00 0.00 H new ATOM 0 HG SER A 44 11.922 -3.956 7.292 1.00 0.00 H new ATOM 649 N MET A 45 9.989 -6.965 5.518 1.00 0.00 N ATOM 650 CA MET A 45 8.886 -7.746 6.065 1.00 0.00 C ATOM 651 C MET A 45 9.110 -8.042 7.545 1.00 0.00 C ATOM 652 O MET A 45 10.160 -8.552 7.933 1.00 0.00 O ATOM 653 CB MET A 45 8.726 -9.055 5.290 1.00 0.00 C ATOM 654 CG MET A 45 7.795 -8.943 4.094 1.00 0.00 C ATOM 655 SD MET A 45 6.055 -8.922 4.568 1.00 0.00 S ATOM 656 CE MET A 45 5.635 -10.654 4.391 1.00 0.00 C ATOM 0 H MET A 45 10.912 -7.368 5.679 1.00 0.00 H new ATOM 0 HA MET A 45 7.973 -7.159 5.964 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.706 -9.387 4.947 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.347 -9.823 5.964 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.028 -8.033 3.541 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.974 -9.780 3.420 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.000 -10.787 3.515 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.547 -11.239 4.271 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.102 -10.992 5.280 1.00 0.00 H new ATOM 666 N ASP A 46 8.116 -7.718 8.365 1.00 0.00 N ATOM 667 CA ASP A 46 8.205 -7.950 9.802 1.00 0.00 C ATOM 668 C ASP A 46 7.088 -8.875 10.273 1.00 0.00 C ATOM 669 O ASP A 46 5.967 -8.446 10.547 1.00 0.00 O ATOM 670 CB ASP A 46 8.138 -6.622 10.560 1.00 0.00 C ATOM 671 CG ASP A 46 9.158 -5.619 10.060 1.00 0.00 C ATOM 672 OD1 ASP A 46 10.183 -6.048 9.489 1.00 0.00 O ATOM 673 OD2 ASP A 46 8.933 -4.403 10.240 1.00 0.00 O ATOM 0 H ASP A 46 7.240 -7.294 8.059 1.00 0.00 H new ATOM 0 HA ASP A 46 9.162 -8.430 10.009 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.138 -6.200 10.460 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.302 -6.804 11.622 1.00 0.00 H new ATOM 678 N PRO A 47 7.398 -10.177 10.369 1.00 0.00 N ATOM 679 CA PRO A 47 6.433 -11.190 10.807 1.00 0.00 C ATOM 680 C PRO A 47 5.692 -10.777 12.074 1.00 0.00 C ATOM 681 O PRO A 47 4.479 -10.944 12.195 1.00 0.00 O ATOM 682 CB PRO A 47 7.306 -12.419 11.074 1.00 0.00 C ATOM 683 CG PRO A 47 8.498 -12.234 10.199 1.00 0.00 C ATOM 684 CD PRO A 47 8.714 -10.759 10.059 1.00 0.00 C ATOM 0 HA PRO A 47 5.653 -11.357 10.064 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.592 -12.481 12.124 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.777 -13.341 10.832 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.375 -12.712 10.636 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.336 -12.694 9.224 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.481 -10.401 10.746 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.040 -10.497 9.052 1.00 0.00 H new ATOM 692 N PRO A 48 6.438 -10.223 13.042 1.00 0.00 N ATOM 693 CA PRO A 48 5.871 -9.773 14.317 1.00 0.00 C ATOM 694 C PRO A 48 4.619 -8.924 14.128 1.00 0.00 C ATOM 695 O PRO A 48 3.539 -9.281 14.598 1.00 0.00 O ATOM 696 CB PRO A 48 6.997 -8.936 14.929 1.00 0.00 C ATOM 697 CG PRO A 48 8.246 -9.484 14.329 1.00 0.00 C ATOM 698 CD PRO A 48 7.890 -9.993 12.966 1.00 0.00 C ATOM 0 HA PRO A 48 5.555 -10.609 14.940 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.876 -7.878 14.695 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.009 -9.022 16.016 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.013 -8.713 14.264 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.651 -10.286 14.946 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.140 -9.268 12.191 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.428 -10.911 12.729 1.00 0.00 H new ATOM 706 N ARG A 49 4.771 -7.799 13.437 1.00 0.00 N ATOM 707 CA ARG A 49 3.652 -6.899 13.187 1.00 0.00 C ATOM 708 C ARG A 49 2.870 -7.334 11.950 1.00 0.00 C ATOM 709 O ARG A 49 1.940 -6.653 11.521 1.00 0.00 O ATOM 710 CB ARG A 49 4.153 -5.465 13.008 1.00 0.00 C ATOM 711 CG ARG A 49 4.456 -4.758 14.319 1.00 0.00 C ATOM 712 CD ARG A 49 3.217 -4.084 14.887 1.00 0.00 C ATOM 713 NE ARG A 49 3.355 -3.795 16.312 1.00 0.00 N ATOM 714 CZ ARG A 49 2.437 -3.152 17.024 1.00 0.00 C ATOM 715 NH1 ARG A 49 1.320 -2.732 16.447 1.00 0.00 N ATOM 716 NH2 ARG A 49 2.636 -2.927 18.317 1.00 0.00 N ATOM 0 H ARG A 49 5.658 -7.489 13.040 1.00 0.00 H new ATOM 0 HA ARG A 49 2.987 -6.939 14.049 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.054 -5.478 12.395 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.404 -4.893 12.461 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.843 -5.477 15.041 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.236 -4.014 14.160 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.029 -3.157 14.346 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.351 -4.727 14.730 1.00 0.00 H new ATOM 0 HE ARG A 49 4.203 -4.104 16.786 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.164 -2.903 15.454 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.617 -2.238 16.996 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.495 -3.248 18.764 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.930 -2.433 18.863 1.00 0.00 H new ATOM 730 N ASN A 50 3.256 -8.472 11.383 1.00 0.00 N ATOM 731 CA ASN A 50 2.592 -8.998 10.195 1.00 0.00 C ATOM 732 C ASN A 50 2.360 -7.893 9.168 1.00 0.00 C ATOM 733 O ASN A 50 1.236 -7.684 8.710 1.00 0.00 O ATOM 734 CB ASN A 50 1.259 -9.645 10.575 1.00 0.00 C ATOM 735 CG ASN A 50 1.332 -10.390 11.893 1.00 0.00 C ATOM 736 OD1 ASN A 50 2.040 -11.390 12.015 1.00 0.00 O ATOM 737 ND2 ASN A 50 0.599 -9.906 12.889 1.00 0.00 N ATOM 0 H ASN A 50 4.025 -9.048 11.726 1.00 0.00 H new ATOM 0 HA ASN A 50 3.241 -9.753 9.750 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.490 -8.875 10.638 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.956 -10.335 9.787 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.609 -10.366 13.799 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.027 -9.074 12.744 1.00 0.00 H new ATOM 744 N CYS A 51 3.429 -7.191 8.812 1.00 0.00 N ATOM 745 CA CYS A 51 3.343 -6.107 7.839 1.00 0.00 C ATOM 746 C CYS A 51 4.637 -5.989 7.041 1.00 0.00 C ATOM 747 O CYS A 51 5.607 -6.700 7.302 1.00 0.00 O ATOM 748 CB CYS A 51 3.041 -4.784 8.544 1.00 0.00 C ATOM 749 SG CYS A 51 4.369 -4.205 9.626 1.00 0.00 S ATOM 0 H CYS A 51 4.366 -7.352 9.182 1.00 0.00 H new ATOM 0 HA CYS A 51 2.531 -6.335 7.148 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.841 -4.021 7.792 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.131 -4.898 9.133 1.00 0.00 H new ATOM 0 HG CYS A 51 5.474 -4.820 9.325 1.00 0.00 H new ATOM 755 N ALA A 52 4.644 -5.086 6.065 1.00 0.00 N ATOM 756 CA ALA A 52 5.819 -4.874 5.229 1.00 0.00 C ATOM 757 C ALA A 52 5.845 -3.456 4.669 1.00 0.00 C ATOM 758 O ALA A 52 4.844 -2.741 4.715 1.00 0.00 O ATOM 759 CB ALA A 52 5.852 -5.891 4.098 1.00 0.00 C ATOM 0 H ALA A 52 3.849 -4.490 5.834 1.00 0.00 H new ATOM 0 HA ALA A 52 6.705 -5.008 5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.735 -5.721 3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.889 -6.898 4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.956 -5.784 3.486 1.00 0.00 H new ATOM 765 N PHE A 53 6.997 -3.055 4.141 1.00 0.00 N ATOM 766 CA PHE A 53 7.154 -1.721 3.573 1.00 0.00 C ATOM 767 C PHE A 53 7.734 -1.794 2.164 1.00 0.00 C ATOM 768 O PHE A 53 8.931 -2.021 1.984 1.00 0.00 O ATOM 769 CB PHE A 53 8.058 -0.867 4.465 1.00 0.00 C ATOM 770 CG PHE A 53 7.720 -0.961 5.926 1.00 0.00 C ATOM 771 CD1 PHE A 53 6.597 -0.328 6.433 1.00 0.00 C ATOM 772 CD2 PHE A 53 8.526 -1.683 6.791 1.00 0.00 C ATOM 773 CE1 PHE A 53 6.283 -0.413 7.777 1.00 0.00 C ATOM 774 CE2 PHE A 53 8.217 -1.772 8.135 1.00 0.00 C ATOM 775 CZ PHE A 53 7.095 -1.135 8.629 1.00 0.00 C ATOM 0 H PHE A 53 7.835 -3.635 4.095 1.00 0.00 H new ATOM 0 HA PHE A 53 6.168 -1.259 3.517 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.094 -1.174 4.319 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.987 0.174 4.150 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.959 0.239 5.771 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.405 -2.182 6.411 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.404 0.085 8.160 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.852 -2.339 8.799 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.853 -1.202 9.680 1.00 0.00 H new ATOM 785 N VAL A 54 6.877 -1.601 1.166 1.00 0.00 N ATOM 786 CA VAL A 54 7.303 -1.645 -0.227 1.00 0.00 C ATOM 787 C VAL A 54 7.433 -0.240 -0.806 1.00 0.00 C ATOM 788 O VAL A 54 6.446 0.484 -0.938 1.00 0.00 O ATOM 789 CB VAL A 54 6.318 -2.455 -1.090 1.00 0.00 C ATOM 790 CG1 VAL A 54 6.827 -2.567 -2.519 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.089 -3.832 -0.487 1.00 0.00 C ATOM 0 H VAL A 54 5.883 -1.413 1.297 1.00 0.00 H new ATOM 0 HA VAL A 54 8.277 -2.134 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 54 5.363 -1.930 -1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.118 -3.143 -3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.934 -1.570 -2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.795 -3.069 -2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.390 -4.390 -1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.037 -4.368 -0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.676 -3.726 0.516 1.00 0.00 H new ATOM 801 N THR A 55 8.660 0.140 -1.152 1.00 0.00 N ATOM 802 CA THR A 55 8.920 1.458 -1.717 1.00 0.00 C ATOM 803 C THR A 55 9.085 1.385 -3.230 1.00 0.00 C ATOM 804 O THR A 55 9.634 0.418 -3.759 1.00 0.00 O ATOM 805 CB THR A 55 10.183 2.092 -1.104 1.00 0.00 C ATOM 806 OG1 THR A 55 9.966 2.374 0.283 1.00 0.00 O ATOM 807 CG2 THR A 55 10.555 3.373 -1.836 1.00 0.00 C ATOM 0 H THR A 55 9.488 -0.447 -1.051 1.00 0.00 H new ATOM 0 HA THR A 55 8.057 2.080 -1.478 1.00 0.00 H new ATOM 0 HB THR A 55 11.005 1.383 -1.205 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.865 3.341 0.408 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.450 3.803 -1.386 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.748 3.149 -2.885 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.734 4.086 -1.762 1.00 0.00 H new ATOM 815 N TYR A 56 8.608 2.412 -3.923 1.00 0.00 N ATOM 816 CA TYR A 56 8.701 2.463 -5.377 1.00 0.00 C ATOM 817 C TYR A 56 9.686 3.540 -5.823 1.00 0.00 C ATOM 818 O TYR A 56 9.787 4.598 -5.203 1.00 0.00 O ATOM 819 CB TYR A 56 7.325 2.732 -5.989 1.00 0.00 C ATOM 820 CG TYR A 56 6.421 1.519 -6.002 1.00 0.00 C ATOM 821 CD1 TYR A 56 6.878 0.294 -6.471 1.00 0.00 C ATOM 822 CD2 TYR A 56 5.111 1.599 -5.548 1.00 0.00 C ATOM 823 CE1 TYR A 56 6.057 -0.817 -6.486 1.00 0.00 C ATOM 824 CE2 TYR A 56 4.283 0.494 -5.558 1.00 0.00 C ATOM 825 CZ TYR A 56 4.760 -0.712 -6.028 1.00 0.00 C ATOM 826 OH TYR A 56 3.937 -1.815 -6.041 1.00 0.00 O ATOM 0 H TYR A 56 8.153 3.221 -3.501 1.00 0.00 H new ATOM 0 HA TYR A 56 9.064 1.496 -5.725 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.838 3.532 -5.431 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.454 3.089 -7.011 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.893 0.209 -6.830 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.733 2.542 -5.181 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.428 -1.762 -6.854 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.267 0.574 -5.200 1.00 0.00 H new ATOM 0 HH TYR A 56 4.251 -2.450 -6.719 1.00 0.00 H new ATOM 836 N GLU A 57 10.410 3.260 -6.902 1.00 0.00 N ATOM 837 CA GLU A 57 11.388 4.204 -7.431 1.00 0.00 C ATOM 838 C GLU A 57 10.720 5.522 -7.813 1.00 0.00 C ATOM 839 O GLU A 57 11.385 6.547 -7.964 1.00 0.00 O ATOM 840 CB GLU A 57 12.099 3.608 -8.647 1.00 0.00 C ATOM 841 CG GLU A 57 12.964 4.607 -9.396 1.00 0.00 C ATOM 842 CD GLU A 57 13.608 4.010 -10.633 1.00 0.00 C ATOM 843 OE1 GLU A 57 14.544 3.197 -10.481 1.00 0.00 O ATOM 844 OE2 GLU A 57 13.176 4.356 -11.752 1.00 0.00 O ATOM 0 H GLU A 57 10.338 2.388 -7.427 1.00 0.00 H new ATOM 0 HA GLU A 57 12.123 4.402 -6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.721 2.774 -8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.353 3.202 -9.330 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.355 5.464 -9.685 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.742 4.979 -8.730 1.00 0.00 H new ATOM 851 N LYS A 58 9.401 5.487 -7.969 1.00 0.00 N ATOM 852 CA LYS A 58 8.641 6.676 -8.334 1.00 0.00 C ATOM 853 C LYS A 58 7.392 6.810 -7.469 1.00 0.00 C ATOM 854 O LYS A 58 6.893 5.824 -6.926 1.00 0.00 O ATOM 855 CB LYS A 58 8.247 6.623 -9.812 1.00 0.00 C ATOM 856 CG LYS A 58 9.433 6.674 -10.759 1.00 0.00 C ATOM 857 CD LYS A 58 9.003 7.030 -12.172 1.00 0.00 C ATOM 858 CE LYS A 58 8.904 8.536 -12.362 1.00 0.00 C ATOM 859 NZ LYS A 58 7.952 8.896 -13.450 1.00 0.00 N ATOM 0 H LYS A 58 8.836 4.647 -7.848 1.00 0.00 H new ATOM 0 HA LYS A 58 9.275 7.547 -8.165 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.684 5.708 -9.997 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.581 7.457 -10.032 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.154 7.409 -10.401 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.938 5.708 -10.764 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.717 6.618 -12.885 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.038 6.571 -12.386 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.582 8.999 -11.429 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.890 8.938 -12.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.913 9.931 -13.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.273 8.475 -14.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.005 8.534 -13.217 1.00 0.00 H new ATOM 873 N MET A 59 6.890 8.035 -7.346 1.00 0.00 N ATOM 874 CA MET A 59 5.697 8.295 -6.549 1.00 0.00 C ATOM 875 C MET A 59 4.453 7.739 -7.235 1.00 0.00 C ATOM 876 O MET A 59 3.625 7.085 -6.601 1.00 0.00 O ATOM 877 CB MET A 59 5.535 9.798 -6.312 1.00 0.00 C ATOM 878 CG MET A 59 5.513 10.616 -7.593 1.00 0.00 C ATOM 879 SD MET A 59 3.850 10.819 -8.259 1.00 0.00 S ATOM 880 CE MET A 59 3.035 11.643 -6.893 1.00 0.00 C ATOM 0 H MET A 59 7.291 8.862 -7.788 1.00 0.00 H new ATOM 0 HA MET A 59 5.815 7.793 -5.589 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.610 9.973 -5.763 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.352 10.148 -5.681 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.945 11.598 -7.400 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.143 10.132 -8.340 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.269 12.316 -7.279 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.571 10.900 -6.244 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.768 12.215 -6.324 1.00 0.00 H new ATOM 890 N GLU A 60 4.329 8.005 -8.531 1.00 0.00 N ATOM 891 CA GLU A 60 3.185 7.531 -9.301 1.00 0.00 C ATOM 892 C GLU A 60 2.775 6.129 -8.860 1.00 0.00 C ATOM 893 O GLU A 60 1.591 5.843 -8.685 1.00 0.00 O ATOM 894 CB GLU A 60 3.511 7.532 -10.796 1.00 0.00 C ATOM 895 CG GLU A 60 4.630 6.576 -11.175 1.00 0.00 C ATOM 896 CD GLU A 60 4.862 6.515 -12.672 1.00 0.00 C ATOM 897 OE1 GLU A 60 3.918 6.812 -13.432 1.00 0.00 O ATOM 898 OE2 GLU A 60 5.990 6.169 -13.083 1.00 0.00 O ATOM 0 H GLU A 60 5.006 8.546 -9.070 1.00 0.00 H new ATOM 0 HA GLU A 60 2.352 8.209 -9.118 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.614 7.268 -11.355 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.789 8.542 -11.098 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.551 6.886 -10.681 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.391 5.578 -10.807 1.00 0.00 H new ATOM 905 N SER A 61 3.764 5.258 -8.683 1.00 0.00 N ATOM 906 CA SER A 61 3.507 3.884 -8.266 1.00 0.00 C ATOM 907 C SER A 61 2.879 3.846 -6.876 1.00 0.00 C ATOM 908 O SER A 61 1.849 3.207 -6.666 1.00 0.00 O ATOM 909 CB SER A 61 4.806 3.076 -8.274 1.00 0.00 C ATOM 910 OG SER A 61 5.366 3.024 -9.574 1.00 0.00 O ATOM 0 H SER A 61 4.750 5.479 -8.822 1.00 0.00 H new ATOM 0 HA SER A 61 2.807 3.440 -8.974 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.521 3.524 -7.584 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.611 2.064 -7.918 1.00 0.00 H new ATOM 0 HG SER A 61 6.196 2.504 -9.552 1.00 0.00 H new ATOM 916 N ALA A 62 3.509 4.535 -5.930 1.00 0.00 N ATOM 917 CA ALA A 62 3.013 4.583 -4.561 1.00 0.00 C ATOM 918 C ALA A 62 1.491 4.683 -4.532 1.00 0.00 C ATOM 919 O ALA A 62 0.813 3.822 -3.971 1.00 0.00 O ATOM 920 CB ALA A 62 3.635 5.753 -3.814 1.00 0.00 C ATOM 0 H ALA A 62 4.364 5.068 -6.087 1.00 0.00 H new ATOM 0 HA ALA A 62 3.300 3.656 -4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.255 5.776 -2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.719 5.638 -3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.378 6.685 -4.318 1.00 0.00 H new ATOM 926 N ASP A 63 0.961 5.739 -5.138 1.00 0.00 N ATOM 927 CA ASP A 63 -0.481 5.952 -5.182 1.00 0.00 C ATOM 928 C ASP A 63 -1.174 4.825 -5.942 1.00 0.00 C ATOM 929 O ASP A 63 -2.196 4.303 -5.499 1.00 0.00 O ATOM 930 CB ASP A 63 -0.800 7.297 -5.836 1.00 0.00 C ATOM 931 CG ASP A 63 -2.288 7.503 -6.040 1.00 0.00 C ATOM 932 OD1 ASP A 63 -2.965 7.929 -5.080 1.00 0.00 O ATOM 933 OD2 ASP A 63 -2.776 7.239 -7.159 1.00 0.00 O ATOM 0 H ASP A 63 1.508 6.461 -5.606 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.854 5.958 -4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.406 8.102 -5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.292 7.359 -6.798 1.00 0.00 H new ATOM 938 N GLN A 64 -0.610 4.457 -7.088 1.00 0.00 N ATOM 939 CA GLN A 64 -1.175 3.394 -7.910 1.00 0.00 C ATOM 940 C GLN A 64 -1.417 2.136 -7.082 1.00 0.00 C ATOM 941 O GLN A 64 -2.557 1.712 -6.899 1.00 0.00 O ATOM 942 CB GLN A 64 -0.243 3.076 -9.081 1.00 0.00 C ATOM 943 CG GLN A 64 -0.406 4.021 -10.261 1.00 0.00 C ATOM 944 CD GLN A 64 0.152 3.447 -11.549 1.00 0.00 C ATOM 945 OE1 GLN A 64 -0.182 2.328 -11.938 1.00 0.00 O ATOM 946 NE2 GLN A 64 1.006 4.213 -12.217 1.00 0.00 N ATOM 0 H GLN A 64 0.237 4.879 -7.468 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.132 3.740 -8.300 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.790 3.116 -8.734 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.428 2.055 -9.415 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.463 4.248 -10.397 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.096 4.963 -10.040 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.254 5.134 -11.857 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.414 3.880 -13.091 1.00 0.00 H new ATOM 955 N ALA A 65 -0.336 1.544 -6.584 1.00 0.00 N ATOM 956 CA ALA A 65 -0.431 0.336 -5.774 1.00 0.00 C ATOM 957 C ALA A 65 -1.505 0.478 -4.700 1.00 0.00 C ATOM 958 O ALA A 65 -2.460 -0.297 -4.656 1.00 0.00 O ATOM 959 CB ALA A 65 0.914 0.019 -5.139 1.00 0.00 C ATOM 0 H ALA A 65 0.616 1.882 -6.728 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.715 -0.489 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.828 -0.886 -4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.658 -0.135 -5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.221 0.850 -4.504 1.00 0.00 H new ATOM 965 N VAL A 66 -1.341 1.474 -3.834 1.00 0.00 N ATOM 966 CA VAL A 66 -2.296 1.718 -2.760 1.00 0.00 C ATOM 967 C VAL A 66 -3.715 1.841 -3.304 1.00 0.00 C ATOM 968 O VAL A 66 -4.688 1.718 -2.561 1.00 0.00 O ATOM 969 CB VAL A 66 -1.945 2.997 -1.977 1.00 0.00 C ATOM 970 CG1 VAL A 66 -3.157 3.501 -1.208 1.00 0.00 C ATOM 971 CG2 VAL A 66 -0.775 2.743 -1.039 1.00 0.00 C ATOM 0 H VAL A 66 -0.556 2.124 -3.856 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.241 0.862 -2.087 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.649 3.769 -2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.890 4.405 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.964 3.724 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.486 2.735 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.541 3.657 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.040 1.957 -0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.095 2.433 -1.618 1.00 0.00 H new ATOM 981 N ALA A 67 -3.825 2.084 -4.606 1.00 0.00 N ATOM 982 CA ALA A 67 -5.125 2.221 -5.250 1.00 0.00 C ATOM 983 C ALA A 67 -5.644 0.871 -5.732 1.00 0.00 C ATOM 984 O ALA A 67 -6.842 0.598 -5.668 1.00 0.00 O ATOM 985 CB ALA A 67 -5.037 3.200 -6.412 1.00 0.00 C ATOM 0 H ALA A 67 -3.029 2.190 -5.235 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.829 2.609 -4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.015 3.293 -6.884 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.718 4.175 -6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.315 2.834 -7.142 1.00 0.00 H new ATOM 991 N GLU A 68 -4.734 0.030 -6.214 1.00 0.00 N ATOM 992 CA GLU A 68 -5.102 -1.292 -6.708 1.00 0.00 C ATOM 993 C GLU A 68 -4.860 -2.357 -5.643 1.00 0.00 C ATOM 994 O GLU A 68 -5.781 -3.065 -5.235 1.00 0.00 O ATOM 995 CB GLU A 68 -4.308 -1.628 -7.972 1.00 0.00 C ATOM 996 CG GLU A 68 -4.445 -0.588 -9.071 1.00 0.00 C ATOM 997 CD GLU A 68 -4.267 -1.177 -10.457 1.00 0.00 C ATOM 998 OE1 GLU A 68 -5.243 -1.748 -10.988 1.00 0.00 O ATOM 999 OE2 GLU A 68 -3.154 -1.067 -11.011 1.00 0.00 O ATOM 0 H GLU A 68 -3.738 0.240 -6.273 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.165 -1.279 -6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.255 -1.733 -7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.640 -2.594 -8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.427 -0.120 -9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.706 0.198 -8.917 1.00 0.00 H new ATOM 1006 N LEU A 69 -3.613 -2.466 -5.197 1.00 0.00 N ATOM 1007 CA LEU A 69 -3.247 -3.445 -4.180 1.00 0.00 C ATOM 1008 C LEU A 69 -4.165 -3.339 -2.966 1.00 0.00 C ATOM 1009 O LEU A 69 -4.519 -4.345 -2.353 1.00 0.00 O ATOM 1010 CB LEU A 69 -1.792 -3.246 -3.752 1.00 0.00 C ATOM 1011 CG LEU A 69 -0.730 -3.704 -4.752 1.00 0.00 C ATOM 1012 CD1 LEU A 69 0.600 -3.932 -4.051 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -1.181 -4.969 -5.468 1.00 0.00 C ATOM 0 H LEU A 69 -2.839 -1.888 -5.524 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.360 -4.439 -4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.636 -2.187 -3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.634 -3.779 -2.815 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.596 -2.918 -5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.344 -4.258 -4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.930 -3.003 -3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.481 -4.699 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.413 -5.280 -6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.344 -5.762 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.110 -4.772 -6.004 1.00 0.00 H new ATOM 1025 N ASN A 70 -4.549 -2.112 -2.627 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.427 -1.874 -1.487 1.00 0.00 C ATOM 1027 C ASN A 70 -6.479 -2.974 -1.372 1.00 0.00 C ATOM 1028 O ASN A 70 -7.335 -3.122 -2.243 1.00 0.00 O ATOM 1029 CB ASN A 70 -6.110 -0.512 -1.619 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.481 -0.486 -0.970 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -8.495 -0.297 -1.642 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -7.516 -0.678 0.344 1.00 0.00 N ATOM 0 H ASN A 70 -4.266 -1.268 -3.125 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.818 -1.882 -0.583 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.481 0.252 -1.163 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.206 -0.258 -2.675 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.409 -0.673 0.837 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.650 -0.831 0.860 1.00 0.00 H new ATOM 1039 N GLY A 71 -6.407 -3.743 -0.290 1.00 0.00 N ATOM 1040 CA GLY A 71 -7.359 -4.819 -0.080 1.00 0.00 C ATOM 1041 C GLY A 71 -7.476 -5.732 -1.284 1.00 0.00 C ATOM 1042 O GLY A 71 -8.572 -6.168 -1.638 1.00 0.00 O ATOM 0 H GLY A 71 -5.707 -3.641 0.445 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.056 -5.404 0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.337 -4.395 0.147 1.00 0.00 H new ATOM 1046 N THR A 72 -6.344 -6.022 -1.917 1.00 0.00 N ATOM 1047 CA THR A 72 -6.324 -6.887 -3.090 1.00 0.00 C ATOM 1048 C THR A 72 -6.128 -8.346 -2.694 1.00 0.00 C ATOM 1049 O THR A 72 -5.619 -8.642 -1.613 1.00 0.00 O ATOM 1050 CB THR A 72 -5.209 -6.479 -4.071 1.00 0.00 C ATOM 1051 OG1 THR A 72 -5.404 -7.127 -5.332 1.00 0.00 O ATOM 1052 CG2 THR A 72 -3.840 -6.841 -3.515 1.00 0.00 C ATOM 0 H THR A 72 -5.428 -5.670 -1.637 1.00 0.00 H new ATOM 0 HA THR A 72 -7.290 -6.773 -3.582 1.00 0.00 H new ATOM 0 HB THR A 72 -5.254 -5.399 -4.208 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.692 -6.861 -5.950 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.069 -6.543 -4.225 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.682 -6.322 -2.569 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.787 -7.917 -3.351 1.00 0.00 H new ATOM 1060 N GLN A 73 -6.534 -9.254 -3.576 1.00 0.00 N ATOM 1061 CA GLN A 73 -6.402 -10.682 -3.317 1.00 0.00 C ATOM 1062 C GLN A 73 -5.416 -11.323 -4.289 1.00 0.00 C ATOM 1063 O GLN A 73 -5.781 -11.695 -5.404 1.00 0.00 O ATOM 1064 CB GLN A 73 -7.764 -11.370 -3.427 1.00 0.00 C ATOM 1065 CG GLN A 73 -7.797 -12.758 -2.808 1.00 0.00 C ATOM 1066 CD GLN A 73 -9.192 -13.350 -2.777 1.00 0.00 C ATOM 1067 OE1 GLN A 73 -10.187 -12.625 -2.742 1.00 0.00 O ATOM 1068 NE2 GLN A 73 -9.273 -14.676 -2.790 1.00 0.00 N ATOM 0 H GLN A 73 -6.957 -9.026 -4.476 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.020 -10.808 -2.304 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.516 -10.747 -2.943 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.040 -11.444 -4.479 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.138 -13.419 -3.372 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.405 -12.708 -1.792 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.423 -15.239 -2.819 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.185 -15.131 -2.771 1.00 0.00 H new ATOM 1077 N VAL A 74 -4.165 -11.449 -3.857 1.00 0.00 N ATOM 1078 CA VAL A 74 -3.126 -12.045 -4.688 1.00 0.00 C ATOM 1079 C VAL A 74 -2.582 -13.322 -4.057 1.00 0.00 C ATOM 1080 O VAL A 74 -2.385 -13.390 -2.844 1.00 0.00 O ATOM 1081 CB VAL A 74 -1.962 -11.064 -4.921 1.00 0.00 C ATOM 1082 CG1 VAL A 74 -2.488 -9.655 -5.147 1.00 0.00 C ATOM 1083 CG2 VAL A 74 -0.994 -11.099 -3.749 1.00 0.00 C ATOM 0 H VAL A 74 -3.847 -11.146 -2.936 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.586 -12.285 -5.646 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.423 -11.373 -5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.651 -8.976 -5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.139 -9.645 -6.022 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.052 -9.332 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.178 -10.400 -3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.518 -10.816 -2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.592 -12.106 -3.639 1.00 0.00 H new ATOM 1093 N GLU A 75 -2.342 -14.331 -4.888 1.00 0.00 N ATOM 1094 CA GLU A 75 -1.820 -15.606 -4.409 1.00 0.00 C ATOM 1095 C GLU A 75 -2.698 -16.169 -3.295 1.00 0.00 C ATOM 1096 O GLU A 75 -2.218 -16.876 -2.409 1.00 0.00 O ATOM 1097 CB GLU A 75 -0.385 -15.439 -3.907 1.00 0.00 C ATOM 1098 CG GLU A 75 0.578 -14.940 -4.972 1.00 0.00 C ATOM 1099 CD GLU A 75 1.994 -15.438 -4.757 1.00 0.00 C ATOM 1100 OE1 GLU A 75 2.180 -16.370 -3.947 1.00 0.00 O ATOM 1101 OE2 GLU A 75 2.917 -14.896 -5.400 1.00 0.00 O ATOM 0 H GLU A 75 -2.500 -14.291 -5.895 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.826 -16.308 -5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.381 -14.741 -3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.028 -16.396 -3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.228 -15.263 -5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.577 -13.850 -4.976 1.00 0.00 H new ATOM 1108 N SER A 76 -3.987 -15.850 -3.347 1.00 0.00 N ATOM 1109 CA SER A 76 -4.932 -16.320 -2.341 1.00 0.00 C ATOM 1110 C SER A 76 -4.670 -15.650 -0.995 1.00 0.00 C ATOM 1111 O SER A 76 -4.897 -16.241 0.060 1.00 0.00 O ATOM 1112 CB SER A 76 -4.839 -17.839 -2.194 1.00 0.00 C ATOM 1113 OG SER A 76 -3.889 -18.199 -1.206 1.00 0.00 O ATOM 0 H SER A 76 -4.401 -15.268 -4.075 1.00 0.00 H new ATOM 0 HA SER A 76 -5.937 -16.055 -2.670 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.816 -18.242 -1.927 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.561 -18.284 -3.150 1.00 0.00 H new ATOM 0 HG SER A 76 -2.991 -17.954 -1.511 1.00 0.00 H new ATOM 1119 N VAL A 77 -4.191 -14.411 -1.041 1.00 0.00 N ATOM 1120 CA VAL A 77 -3.899 -13.659 0.173 1.00 0.00 C ATOM 1121 C VAL A 77 -4.353 -12.209 0.044 1.00 0.00 C ATOM 1122 O VAL A 77 -4.015 -11.527 -0.922 1.00 0.00 O ATOM 1123 CB VAL A 77 -2.394 -13.686 0.502 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -2.082 -12.746 1.656 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -1.945 -15.104 0.821 1.00 0.00 C ATOM 0 H VAL A 77 -3.997 -13.907 -1.906 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.449 -14.139 0.982 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.842 -13.342 -0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.014 -12.779 1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.366 -11.729 1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.642 -13.055 2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.880 -15.105 1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.502 -15.477 1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.131 -15.747 -0.039 1.00 0.00 H new ATOM 1135 N GLN A 78 -5.121 -11.746 1.026 1.00 0.00 N ATOM 1136 CA GLN A 78 -5.622 -10.377 1.022 1.00 0.00 C ATOM 1137 C GLN A 78 -4.562 -9.408 1.536 1.00 0.00 C ATOM 1138 O GLN A 78 -4.240 -9.398 2.725 1.00 0.00 O ATOM 1139 CB GLN A 78 -6.885 -10.271 1.878 1.00 0.00 C ATOM 1140 CG GLN A 78 -8.168 -10.525 1.103 1.00 0.00 C ATOM 1141 CD GLN A 78 -9.264 -11.117 1.967 1.00 0.00 C ATOM 1142 OE1 GLN A 78 -9.888 -10.417 2.765 1.00 0.00 O ATOM 1143 NE2 GLN A 78 -9.505 -12.414 1.812 1.00 0.00 N ATOM 0 H GLN A 78 -5.409 -12.299 1.833 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.865 -10.109 -0.006 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.819 -10.985 2.699 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.930 -9.277 2.323 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.518 -9.588 0.670 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.959 -11.201 0.274 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -8.964 -12.956 1.139 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.231 -12.868 2.366 1.00 0.00 H new ATOM 1152 N LEU A 79 -4.023 -8.596 0.634 1.00 0.00 N ATOM 1153 CA LEU A 79 -2.999 -7.622 0.996 1.00 0.00 C ATOM 1154 C LEU A 79 -3.609 -6.239 1.197 1.00 0.00 C ATOM 1155 O LEU A 79 -4.483 -5.817 0.439 1.00 0.00 O ATOM 1156 CB LEU A 79 -1.919 -7.563 -0.086 1.00 0.00 C ATOM 1157 CG LEU A 79 -0.930 -8.730 -0.112 1.00 0.00 C ATOM 1158 CD1 LEU A 79 0.188 -8.459 -1.106 1.00 0.00 C ATOM 1159 CD2 LEU A 79 -0.362 -8.979 1.278 1.00 0.00 C ATOM 0 H LEU A 79 -4.278 -8.592 -0.354 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.547 -7.939 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.409 -7.507 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.356 -6.638 0.041 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.463 -9.626 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.882 -9.300 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.234 -8.331 -2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.719 -7.552 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.339 -9.812 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.155 -8.085 1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.174 -9.218 1.965 1.00 0.00 H new ATOM 1171 N LYS A 80 -3.141 -5.535 2.223 1.00 0.00 N ATOM 1172 CA LYS A 80 -3.638 -4.198 2.523 1.00 0.00 C ATOM 1173 C LYS A 80 -2.513 -3.170 2.447 1.00 0.00 C ATOM 1174 O LYS A 80 -1.671 -3.089 3.343 1.00 0.00 O ATOM 1175 CB LYS A 80 -4.276 -4.168 3.914 1.00 0.00 C ATOM 1176 CG LYS A 80 -5.618 -4.877 3.982 1.00 0.00 C ATOM 1177 CD LYS A 80 -5.889 -5.425 5.372 1.00 0.00 C ATOM 1178 CE LYS A 80 -7.276 -6.042 5.468 1.00 0.00 C ATOM 1179 NZ LYS A 80 -7.365 -7.326 4.717 1.00 0.00 N ATOM 0 H LYS A 80 -2.418 -5.869 2.860 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.392 -3.943 1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.594 -4.630 4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.406 -3.131 4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.411 -4.184 3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.637 -5.692 3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.138 -6.175 5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.795 -4.624 6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.525 -6.216 6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.013 -5.341 5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.315 -7.732 4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.186 -7.151 3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.656 -7.993 5.084 1.00 0.00 H new ATOM 1193 N VAL A 81 -2.504 -2.387 1.373 1.00 0.00 N ATOM 1194 CA VAL A 81 -1.484 -1.363 1.182 1.00 0.00 C ATOM 1195 C VAL A 81 -2.040 0.027 1.469 1.00 0.00 C ATOM 1196 O VAL A 81 -3.208 0.307 1.201 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.920 -1.393 -0.251 1.00 0.00 C ATOM 1198 CG1 VAL A 81 0.288 -0.476 -0.369 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.561 -2.816 -0.652 1.00 0.00 C ATOM 0 H VAL A 81 -3.192 -2.442 0.622 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.680 -1.582 1.885 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.689 -1.030 -0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.673 -0.510 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.005 0.545 -0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.063 -0.805 0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.164 -2.819 -1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.191 -3.208 0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.452 -3.442 -0.609 1.00 0.00 H new ATOM 1209 N ASN A 82 -1.195 0.896 2.014 1.00 0.00 N ATOM 1210 CA ASN A 82 -1.602 2.259 2.337 1.00 0.00 C ATOM 1211 C ASN A 82 -0.408 3.208 2.295 1.00 0.00 C ATOM 1212 O ASN A 82 0.729 2.800 2.531 1.00 0.00 O ATOM 1213 CB ASN A 82 -2.255 2.303 3.720 1.00 0.00 C ATOM 1214 CG ASN A 82 -3.267 3.426 3.846 1.00 0.00 C ATOM 1215 OD1 ASN A 82 -4.025 3.700 2.916 1.00 0.00 O ATOM 1216 ND2 ASN A 82 -3.282 4.082 5.001 1.00 0.00 N ATOM 0 H ASN A 82 -0.224 0.681 2.241 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.326 2.583 1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -2.747 1.350 3.917 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.483 2.426 4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -3.941 4.848 5.144 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -2.635 3.820 5.745 1.00 0.00 H new ATOM 1223 N ILE A 83 -0.677 4.474 1.994 1.00 0.00 N ATOM 1224 CA ILE A 83 0.375 5.481 1.923 1.00 0.00 C ATOM 1225 C ILE A 83 0.921 5.804 3.309 1.00 0.00 C ATOM 1226 O ILE A 83 0.365 6.633 4.029 1.00 0.00 O ATOM 1227 CB ILE A 83 -0.132 6.779 1.268 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -0.884 6.463 -0.027 1.00 0.00 C ATOM 1229 CG2 ILE A 83 1.029 7.723 0.995 1.00 0.00 C ATOM 1230 CD1 ILE A 83 0.021 6.048 -1.165 1.00 0.00 C ATOM 0 H ILE A 83 -1.613 4.827 1.796 1.00 0.00 H new ATOM 0 HA ILE A 83 1.173 5.062 1.310 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.821 7.270 1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.602 5.666 0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.455 7.341 -0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.655 8.636 0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.526 7.970 1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.740 7.241 0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.580 5.840 -2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.723 6.853 -1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.573 5.152 -0.882 1.00 0.00 H new ATOM 1242 N ALA A 84 2.015 5.145 3.677 1.00 0.00 N ATOM 1243 CA ALA A 84 2.640 5.364 4.975 1.00 0.00 C ATOM 1244 C ALA A 84 2.500 6.818 5.413 1.00 0.00 C ATOM 1245 O ALA A 84 3.298 7.672 5.027 1.00 0.00 O ATOM 1246 CB ALA A 84 4.107 4.964 4.930 1.00 0.00 C ATOM 0 H ALA A 84 2.487 4.454 3.093 1.00 0.00 H new ATOM 0 HA ALA A 84 2.127 4.740 5.707 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.560 5.133 5.907 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.189 3.909 4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.625 5.563 4.181 1.00 0.00 H new ATOM 1252 N ARG A 85 1.480 7.093 6.219 1.00 0.00 N ATOM 1253 CA ARG A 85 1.234 8.444 6.708 1.00 0.00 C ATOM 1254 C ARG A 85 2.349 8.894 7.648 1.00 0.00 C ATOM 1255 O ARG A 85 3.038 8.070 8.250 1.00 0.00 O ATOM 1256 CB ARG A 85 -0.113 8.512 7.428 1.00 0.00 C ATOM 1257 CG ARG A 85 -0.115 7.822 8.783 1.00 0.00 C ATOM 1258 CD ARG A 85 -0.506 6.358 8.661 1.00 0.00 C ATOM 1259 NE ARG A 85 -0.833 5.769 9.957 1.00 0.00 N ATOM 1260 CZ ARG A 85 -2.004 5.930 10.563 1.00 0.00 C ATOM 1261 NH1 ARG A 85 -2.955 6.657 9.992 1.00 0.00 N ATOM 1262 NH2 ARG A 85 -2.227 5.363 11.742 1.00 0.00 N ATOM 0 H ARG A 85 0.810 6.397 6.547 1.00 0.00 H new ATOM 0 HA ARG A 85 1.213 9.115 5.849 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.392 9.557 7.562 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.876 8.057 6.797 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.875 7.899 9.233 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.810 8.331 9.451 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.363 6.266 7.994 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.313 5.801 8.206 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.123 5.203 10.422 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.788 7.094 9.086 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.853 6.779 10.459 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.499 4.803 12.184 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.127 5.488 12.206 1.00 0.00 H new ATOM 1276 N LYS A 86 2.522 10.206 7.767 1.00 0.00 N ATOM 1277 CA LYS A 86 3.552 10.766 8.634 1.00 0.00 C ATOM 1278 C LYS A 86 4.936 10.275 8.222 1.00 0.00 C ATOM 1279 O LYS A 86 5.696 9.771 9.048 1.00 0.00 O ATOM 1280 CB LYS A 86 3.280 10.392 10.092 1.00 0.00 C ATOM 1281 CG LYS A 86 4.054 11.235 11.091 1.00 0.00 C ATOM 1282 CD LYS A 86 3.897 10.706 12.507 1.00 0.00 C ATOM 1283 CE LYS A 86 4.761 9.476 12.741 1.00 0.00 C ATOM 1284 NZ LYS A 86 4.441 8.812 14.035 1.00 0.00 N ATOM 0 H LYS A 86 1.962 10.902 7.274 1.00 0.00 H new ATOM 0 HA LYS A 86 3.526 11.851 8.533 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.213 10.495 10.292 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.533 9.342 10.242 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.110 11.244 10.820 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.704 12.266 11.046 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.169 11.484 13.220 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.852 10.458 12.690 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.615 8.769 11.924 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.812 9.763 12.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.051 7.978 14.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.604 9.478 14.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.444 8.515 14.036 1.00 0.00 H new ATOM 1298 N GLN A 87 5.256 10.427 6.941 1.00 0.00 N ATOM 1299 CA GLN A 87 6.549 9.999 6.421 1.00 0.00 C ATOM 1300 C GLN A 87 7.338 11.187 5.879 1.00 0.00 C ATOM 1301 O GLN A 87 7.833 11.172 4.752 1.00 0.00 O ATOM 1302 CB GLN A 87 6.360 8.953 5.321 1.00 0.00 C ATOM 1303 CG GLN A 87 5.463 9.420 4.185 1.00 0.00 C ATOM 1304 CD GLN A 87 5.486 8.477 2.998 1.00 0.00 C ATOM 1305 OE1 GLN A 87 6.552 8.115 2.499 1.00 0.00 O ATOM 1306 NE2 GLN A 87 4.307 8.074 2.539 1.00 0.00 N ATOM 0 H GLN A 87 4.638 10.843 6.245 1.00 0.00 H new ATOM 0 HA GLN A 87 7.113 9.555 7.241 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.335 8.684 4.916 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.937 8.049 5.759 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.440 9.514 4.550 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.779 10.412 3.862 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.448 8.399 2.983 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.260 7.439 1.742 1.00 0.00 H new ATOM 1315 N PRO A 88 7.459 12.242 6.699 1.00 0.00 N ATOM 1316 CA PRO A 88 8.186 13.457 6.323 1.00 0.00 C ATOM 1317 C PRO A 88 9.692 13.228 6.236 1.00 0.00 C ATOM 1318 O PRO A 88 10.447 14.134 5.886 1.00 0.00 O ATOM 1319 CB PRO A 88 7.858 14.432 7.457 1.00 0.00 C ATOM 1320 CG PRO A 88 7.539 13.562 8.624 1.00 0.00 C ATOM 1321 CD PRO A 88 6.894 12.328 8.056 1.00 0.00 C ATOM 0 HA PRO A 88 7.896 13.817 5.336 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.702 15.088 7.671 1.00 0.00 H new ATOM 0 HB3 PRO A 88 7.014 15.072 7.198 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.441 13.310 9.181 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.868 14.069 9.317 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.130 11.443 8.647 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.808 12.416 8.034 1.00 0.00 H new ATOM 1329 N MET A 89 10.120 12.012 6.557 1.00 0.00 N ATOM 1330 CA MET A 89 11.535 11.664 6.514 1.00 0.00 C ATOM 1331 C MET A 89 11.773 10.466 5.600 1.00 0.00 C ATOM 1332 O MET A 89 12.626 9.622 5.876 1.00 0.00 O ATOM 1333 CB MET A 89 12.051 11.357 7.921 1.00 0.00 C ATOM 1334 CG MET A 89 12.418 12.599 8.718 1.00 0.00 C ATOM 1335 SD MET A 89 13.924 13.388 8.120 1.00 0.00 S ATOM 1336 CE MET A 89 13.581 15.104 8.499 1.00 0.00 C ATOM 0 H MET A 89 9.507 11.251 6.850 1.00 0.00 H new ATOM 0 HA MET A 89 12.081 12.518 6.114 1.00 0.00 H new ATOM 0 HB2 MET A 89 11.289 10.798 8.465 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.926 10.712 7.845 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.595 13.312 8.671 1.00 0.00 H new ATOM 0 HG3 MET A 89 12.546 12.329 9.766 1.00 0.00 H new ATOM 0 HE1 MET A 89 14.424 15.721 8.187 1.00 0.00 H new ATOM 0 HE2 MET A 89 12.683 15.421 7.969 1.00 0.00 H new ATOM 0 HE3 MET A 89 13.427 15.216 9.572 1.00 0.00 H new ATOM 1346 N LEU A 90 11.015 10.399 4.511 1.00 0.00 N ATOM 1347 CA LEU A 90 11.143 9.303 3.557 1.00 0.00 C ATOM 1348 C LEU A 90 11.208 9.832 2.127 1.00 0.00 C ATOM 1349 O LEU A 90 10.179 10.032 1.481 1.00 0.00 O ATOM 1350 CB LEU A 90 9.968 8.334 3.701 1.00 0.00 C ATOM 1351 CG LEU A 90 10.101 7.278 4.800 1.00 0.00 C ATOM 1352 CD1 LEU A 90 9.802 7.885 6.162 1.00 0.00 C ATOM 1353 CD2 LEU A 90 9.176 6.102 4.523 1.00 0.00 C ATOM 0 H LEU A 90 10.306 11.090 4.267 1.00 0.00 H new ATOM 0 HA LEU A 90 12.071 8.773 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.065 8.915 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.825 7.823 2.749 1.00 0.00 H new ATOM 0 HG LEU A 90 11.128 6.913 4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 90 9.901 7.119 6.931 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.505 8.694 6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.785 8.277 6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.283 5.360 5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.144 6.451 4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.437 5.651 3.566 1.00 0.00 H new ATOM 1365 N ASP A 91 12.423 10.054 1.639 1.00 0.00 N ATOM 1366 CA ASP A 91 12.623 10.556 0.284 1.00 0.00 C ATOM 1367 C ASP A 91 14.050 10.293 -0.188 1.00 0.00 C ATOM 1368 O ASP A 91 15.008 10.498 0.557 1.00 0.00 O ATOM 1369 CB ASP A 91 12.319 12.054 0.222 1.00 0.00 C ATOM 1370 CG ASP A 91 12.828 12.798 1.441 1.00 0.00 C ATOM 1371 OD1 ASP A 91 13.995 12.576 1.828 1.00 0.00 O ATOM 1372 OD2 ASP A 91 12.061 13.604 2.007 1.00 0.00 O ATOM 0 H ASP A 91 13.285 9.894 2.161 1.00 0.00 H new ATOM 0 HA ASP A 91 11.938 10.027 -0.378 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.773 12.477 -0.674 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.242 12.200 0.134 1.00 0.00 H new ATOM 1377 N SER A 92 14.182 9.839 -1.430 1.00 0.00 N ATOM 1378 CA SER A 92 15.492 9.544 -2.000 1.00 0.00 C ATOM 1379 C SER A 92 15.655 10.213 -3.361 1.00 0.00 C ATOM 1380 O SER A 92 14.715 10.274 -4.152 1.00 0.00 O ATOM 1381 CB SER A 92 15.683 8.032 -2.136 1.00 0.00 C ATOM 1382 OG SER A 92 16.022 7.447 -0.890 1.00 0.00 O ATOM 0 H SER A 92 13.399 9.667 -2.061 1.00 0.00 H new ATOM 0 HA SER A 92 16.252 9.940 -1.327 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.767 7.579 -2.517 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.468 7.825 -2.864 1.00 0.00 H new ATOM 0 HG SER A 92 16.137 6.480 -1.003 1.00 0.00 H new ATOM 1388 N GLY A 93 16.858 10.715 -3.626 1.00 0.00 N ATOM 1389 CA GLY A 93 17.124 11.374 -4.891 1.00 0.00 C ATOM 1390 C GLY A 93 17.796 12.721 -4.714 1.00 0.00 C ATOM 1391 O GLY A 93 18.453 12.983 -3.706 1.00 0.00 O ATOM 0 H GLY A 93 17.652 10.677 -2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 93 17.758 10.733 -5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 93 16.187 11.507 -5.432 1.00 0.00 H new ATOM 1395 N PRO A 94 17.637 13.603 -5.712 1.00 0.00 N ATOM 1396 CA PRO A 94 18.228 14.944 -5.685 1.00 0.00 C ATOM 1397 C PRO A 94 17.566 15.848 -4.650 1.00 0.00 C ATOM 1398 O PRO A 94 16.349 15.813 -4.469 1.00 0.00 O ATOM 1399 CB PRO A 94 17.971 15.473 -7.099 1.00 0.00 C ATOM 1400 CG PRO A 94 16.776 14.720 -7.574 1.00 0.00 C ATOM 1401 CD PRO A 94 16.868 13.358 -6.943 1.00 0.00 C ATOM 0 HA PRO A 94 19.282 14.920 -5.409 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.785 16.547 -7.092 1.00 0.00 H new ATOM 0 HB3 PRO A 94 18.830 15.302 -7.748 1.00 0.00 H new ATOM 0 HG2 PRO A 94 15.855 15.224 -7.281 1.00 0.00 H new ATOM 0 HG3 PRO A 94 16.768 14.647 -8.661 1.00 0.00 H new ATOM 0 HD2 PRO A 94 15.882 12.949 -6.726 1.00 0.00 H new ATOM 0 HD3 PRO A 94 17.372 12.646 -7.596 1.00 0.00 H new ATOM 1409 N SER A 95 18.376 16.656 -3.974 1.00 0.00 N ATOM 1410 CA SER A 95 17.870 17.567 -2.954 1.00 0.00 C ATOM 1411 C SER A 95 18.613 18.899 -2.998 1.00 0.00 C ATOM 1412 O SER A 95 19.797 18.951 -3.330 1.00 0.00 O ATOM 1413 CB SER A 95 18.006 16.940 -1.566 1.00 0.00 C ATOM 1414 OG SER A 95 17.850 17.913 -0.548 1.00 0.00 O ATOM 0 H SER A 95 19.385 16.698 -4.114 1.00 0.00 H new ATOM 0 HA SER A 95 16.816 17.752 -3.159 1.00 0.00 H new ATOM 0 HB2 SER A 95 17.258 16.157 -1.443 1.00 0.00 H new ATOM 0 HB3 SER A 95 18.983 16.465 -1.472 1.00 0.00 H new ATOM 0 HG SER A 95 17.940 17.486 0.329 1.00 0.00 H new ATOM 1420 N SER A 96 17.908 19.974 -2.660 1.00 0.00 N ATOM 1421 CA SER A 96 18.498 21.308 -2.664 1.00 0.00 C ATOM 1422 C SER A 96 18.637 21.845 -1.243 1.00 0.00 C ATOM 1423 O SER A 96 17.927 21.417 -0.334 1.00 0.00 O ATOM 1424 CB SER A 96 17.646 22.263 -3.502 1.00 0.00 C ATOM 1425 OG SER A 96 17.827 22.027 -4.887 1.00 0.00 O ATOM 0 H SER A 96 16.928 19.947 -2.380 1.00 0.00 H new ATOM 0 HA SER A 96 19.492 21.237 -3.105 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.594 22.139 -3.243 1.00 0.00 H new ATOM 0 HB3 SER A 96 17.913 23.294 -3.268 1.00 0.00 H new ATOM 0 HG SER A 96 17.270 22.649 -5.400 1.00 0.00 H new ATOM 1431 N GLY A 97 19.558 22.786 -1.060 1.00 0.00 N ATOM 1432 CA GLY A 97 19.775 23.367 0.253 1.00 0.00 C ATOM 1433 C GLY A 97 19.710 22.335 1.361 1.00 0.00 C ATOM 1434 O GLY A 97 20.738 21.814 1.794 1.00 0.00 O ATOM 0 H GLY A 97 20.158 23.157 -1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 97 20.748 23.857 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 97 19.026 24.138 0.434 1.00 0.00 H new TER 1438 GLY A 97