USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 550 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 10 HIS : no HD1:sc= 0.668 K(o=2.6,f=-2.3) USER MOD Set 1.2: A 91 LYS NZ :NH3+ -171:sc= 1.9 (180deg=1.19) USER MOD Set 2.1: A 5 HIS : no HD1:sc=-0.00788 X(o=-0.0079,f=0) USER MOD Set 2.2: A 7 HIS : no HE2:sc= 0 K(o=-0.0079,f=-3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.683 (180deg=0.332) USER MOD Single : A 4 SER OG : rot 180:sc= 0.259 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.211 K(o=-0.21,f=-1.2) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.408 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.24) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -168:sc= -0.0508 (180deg=-0.368) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -0.158 K(o=-0.16,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.124 52.828 -9.401 1.00 0.00 N ATOM 2 CA MET A 1 -3.422 52.787 -8.655 1.00 0.00 C ATOM 3 C MET A 1 -4.514 52.095 -9.492 1.00 0.00 C ATOM 4 O MET A 1 -4.428 52.075 -10.720 1.00 0.00 O ATOM 5 CB MET A 1 -3.904 54.195 -8.211 1.00 0.00 C ATOM 6 CG MET A 1 -3.077 54.846 -7.090 1.00 0.00 C ATOM 7 SD MET A 1 -1.426 55.456 -7.549 1.00 0.00 S ATOM 8 CE MET A 1 -0.920 56.188 -5.967 1.00 0.00 C ATOM 0 H1 MET A 1 -1.563 53.641 -9.076 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.595 51.950 -9.226 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.312 52.922 -10.420 1.00 0.00 H new ATOM 0 HA MET A 1 -3.239 52.207 -7.750 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.894 54.855 -9.078 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.940 54.119 -7.880 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.649 55.681 -6.685 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.961 54.119 -6.286 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.079 56.614 -6.066 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.623 56.973 -5.688 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.911 55.418 -5.196 1.00 0.00 H new ATOM 20 N ARG A 2 -5.554 51.545 -8.834 1.00 0.00 N ATOM 21 CA ARG A 2 -6.750 50.914 -9.454 1.00 0.00 C ATOM 22 C ARG A 2 -6.414 49.849 -10.520 1.00 0.00 C ATOM 23 O ARG A 2 -6.920 49.882 -11.645 1.00 0.00 O ATOM 24 CB ARG A 2 -7.739 51.997 -9.942 1.00 0.00 C ATOM 25 CG ARG A 2 -8.243 52.901 -8.804 1.00 0.00 C ATOM 26 CD ARG A 2 -9.278 53.907 -9.320 1.00 0.00 C ATOM 27 NE ARG A 2 -9.766 54.780 -8.232 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.656 55.751 -8.337 1.00 0.00 C ATOM 29 NH1 ARG A 2 -11.223 56.055 -9.472 1.00 0.00 N ATOM 30 NH2 ARG A 2 -11.001 56.446 -7.289 1.00 0.00 N ATOM 0 H ARG A 2 -5.591 51.524 -7.815 1.00 0.00 H new ATOM 0 HA ARG A 2 -7.254 50.340 -8.676 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.253 52.612 -10.700 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -8.591 51.515 -10.421 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.685 52.289 -8.018 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.403 53.434 -8.359 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.835 54.517 -10.107 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -10.117 53.373 -9.765 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.375 54.616 -7.304 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.983 55.536 -10.317 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.906 56.811 -9.514 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.583 56.241 -6.381 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.689 57.194 -7.377 1.00 0.00 H new ATOM 44 N GLY A 3 -5.538 48.911 -10.156 1.00 0.00 N ATOM 45 CA GLY A 3 -5.056 47.823 -11.021 1.00 0.00 C ATOM 46 C GLY A 3 -4.409 46.663 -10.248 1.00 0.00 C ATOM 47 O GLY A 3 -4.627 46.510 -9.043 1.00 0.00 O ATOM 0 H GLY A 3 -5.129 48.883 -9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -5.891 47.438 -11.606 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.331 48.226 -11.728 1.00 0.00 H new ATOM 51 N SER A 4 -3.593 45.861 -10.944 1.00 0.00 N ATOM 52 CA SER A 4 -2.954 44.629 -10.432 1.00 0.00 C ATOM 53 C SER A 4 -3.962 43.563 -9.939 1.00 0.00 C ATOM 54 O SER A 4 -5.152 43.618 -10.265 1.00 0.00 O ATOM 55 CB SER A 4 -1.882 45.006 -9.391 1.00 0.00 C ATOM 56 OG SER A 4 -0.960 43.940 -9.202 1.00 0.00 O ATOM 0 H SER A 4 -3.347 46.054 -11.915 1.00 0.00 H new ATOM 0 HA SER A 4 -2.456 44.130 -11.264 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.349 45.899 -9.719 1.00 0.00 H new ATOM 0 HB3 SER A 4 -2.361 45.250 -8.443 1.00 0.00 H new ATOM 0 HG SER A 4 -0.288 44.202 -8.539 1.00 0.00 H new ATOM 62 N HIS A 5 -3.479 42.552 -9.201 1.00 0.00 N ATOM 63 CA HIS A 5 -4.240 41.396 -8.690 1.00 0.00 C ATOM 64 C HIS A 5 -4.970 40.603 -9.799 1.00 0.00 C ATOM 65 O HIS A 5 -6.137 40.226 -9.670 1.00 0.00 O ATOM 66 CB HIS A 5 -5.124 41.833 -7.504 1.00 0.00 C ATOM 67 CG HIS A 5 -5.593 40.706 -6.608 1.00 0.00 C ATOM 68 ND1 HIS A 5 -6.925 40.389 -6.319 1.00 0.00 N ATOM 69 CD2 HIS A 5 -4.782 39.900 -5.861 1.00 0.00 C ATOM 70 CE1 HIS A 5 -6.886 39.404 -5.403 1.00 0.00 C ATOM 71 NE2 HIS A 5 -5.610 39.087 -5.116 1.00 0.00 N ATOM 0 H HIS A 5 -2.497 42.514 -8.929 1.00 0.00 H new ATOM 0 HA HIS A 5 -3.537 40.660 -8.299 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.568 42.550 -6.900 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -5.998 42.355 -7.894 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -3.702 39.899 -5.855 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -7.753 38.936 -4.962 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -5.307 38.368 -4.459 1.00 0.00 H new ATOM 79 N HIS A 6 -4.271 40.365 -10.917 1.00 0.00 N ATOM 80 CA HIS A 6 -4.741 39.527 -12.030 1.00 0.00 C ATOM 81 C HIS A 6 -4.538 38.025 -11.744 1.00 0.00 C ATOM 82 O HIS A 6 -3.539 37.635 -11.130 1.00 0.00 O ATOM 83 CB HIS A 6 -4.036 39.956 -13.325 1.00 0.00 C ATOM 84 CG HIS A 6 -4.484 39.176 -14.537 1.00 0.00 C ATOM 85 ND1 HIS A 6 -3.792 38.107 -15.116 1.00 0.00 N ATOM 86 CD2 HIS A 6 -5.659 39.356 -15.206 1.00 0.00 C ATOM 87 CE1 HIS A 6 -4.572 37.666 -16.119 1.00 0.00 C ATOM 88 NE2 HIS A 6 -5.695 38.402 -16.198 1.00 0.00 N ATOM 0 H HIS A 6 -3.343 40.758 -11.077 1.00 0.00 H new ATOM 0 HA HIS A 6 -5.815 39.674 -12.147 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -4.220 41.017 -13.496 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.960 39.835 -13.201 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.413 40.101 -14.998 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -4.331 36.838 -16.769 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -6.445 38.275 -16.877 1.00 0.00 H new ATOM 96 N HIS A 7 -5.473 37.184 -12.207 1.00 0.00 N ATOM 97 CA HIS A 7 -5.470 35.719 -12.031 1.00 0.00 C ATOM 98 C HIS A 7 -5.888 34.987 -13.316 1.00 0.00 C ATOM 99 O HIS A 7 -6.603 35.543 -14.155 1.00 0.00 O ATOM 100 CB HIS A 7 -6.399 35.323 -10.871 1.00 0.00 C ATOM 101 CG HIS A 7 -5.998 35.907 -9.536 1.00 0.00 C ATOM 102 ND1 HIS A 7 -5.053 35.366 -8.658 1.00 0.00 N ATOM 103 CD2 HIS A 7 -6.475 37.072 -9.009 1.00 0.00 C ATOM 104 CE1 HIS A 7 -4.974 36.229 -7.628 1.00 0.00 C ATOM 105 NE2 HIS A 7 -5.815 37.262 -7.816 1.00 0.00 N ATOM 0 H HIS A 7 -6.282 37.513 -12.733 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.449 35.418 -11.797 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -7.414 35.643 -11.106 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -6.419 34.236 -10.790 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -4.532 34.497 -8.774 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -7.224 37.718 -9.443 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.327 36.109 -6.772 1.00 0.00 H new ATOM 113 N HIS A 8 -5.474 33.720 -13.452 1.00 0.00 N ATOM 114 CA HIS A 8 -5.747 32.871 -14.623 1.00 0.00 C ATOM 115 C HIS A 8 -6.776 31.778 -14.296 1.00 0.00 C ATOM 116 O HIS A 8 -6.605 31.012 -13.345 1.00 0.00 O ATOM 117 CB HIS A 8 -4.430 32.282 -15.156 1.00 0.00 C ATOM 118 CG HIS A 8 -3.397 33.323 -15.521 1.00 0.00 C ATOM 119 ND1 HIS A 8 -2.415 33.833 -14.664 1.00 0.00 N ATOM 120 CD2 HIS A 8 -3.272 33.923 -16.740 1.00 0.00 C ATOM 121 CE1 HIS A 8 -1.726 34.732 -15.387 1.00 0.00 C ATOM 122 NE2 HIS A 8 -2.215 34.803 -16.638 1.00 0.00 N ATOM 0 H HIS A 8 -4.927 33.244 -12.735 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.188 33.485 -15.408 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -4.010 31.616 -14.402 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.645 31.674 -16.035 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.881 33.744 -17.614 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -0.896 35.315 -15.016 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.864 35.404 -17.383 1.00 0.00 H new ATOM 130 N HIS A 9 -7.833 31.674 -15.106 1.00 0.00 N ATOM 131 CA HIS A 9 -9.024 30.849 -14.822 1.00 0.00 C ATOM 132 C HIS A 9 -8.989 29.436 -15.439 1.00 0.00 C ATOM 133 O HIS A 9 -9.994 28.722 -15.409 1.00 0.00 O ATOM 134 CB HIS A 9 -10.282 31.640 -15.226 1.00 0.00 C ATOM 135 CG HIS A 9 -10.409 32.959 -14.498 1.00 0.00 C ATOM 136 ND1 HIS A 9 -10.083 34.215 -15.022 1.00 0.00 N ATOM 137 CD2 HIS A 9 -10.821 33.112 -13.207 1.00 0.00 C ATOM 138 CE1 HIS A 9 -10.305 35.095 -14.030 1.00 0.00 C ATOM 139 NE2 HIS A 9 -10.752 34.461 -12.931 1.00 0.00 N ATOM 0 H HIS A 9 -7.892 32.168 -15.996 1.00 0.00 H new ATOM 0 HA HIS A 9 -9.040 30.653 -13.750 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.259 31.825 -16.300 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -11.166 31.034 -15.026 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -11.139 32.330 -12.533 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -10.147 36.161 -14.105 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -10.998 34.903 -12.045 1.00 0.00 H new ATOM 147 N HIS A 10 -7.848 29.014 -15.998 1.00 0.00 N ATOM 148 CA HIS A 10 -7.685 27.702 -16.645 1.00 0.00 C ATOM 149 C HIS A 10 -7.785 26.514 -15.667 1.00 0.00 C ATOM 150 O HIS A 10 -7.394 26.614 -14.500 1.00 0.00 O ATOM 151 CB HIS A 10 -6.380 27.675 -17.458 1.00 0.00 C ATOM 152 CG HIS A 10 -5.099 27.776 -16.659 1.00 0.00 C ATOM 153 ND1 HIS A 10 -4.708 28.865 -15.869 1.00 0.00 N ATOM 154 CD2 HIS A 10 -4.076 26.874 -16.697 1.00 0.00 C ATOM 155 CE1 HIS A 10 -3.439 28.611 -15.494 1.00 0.00 C ATOM 156 NE2 HIS A 10 -3.048 27.410 -15.953 1.00 0.00 N ATOM 0 H HIS A 10 -7.000 29.580 -16.015 1.00 0.00 H new ATOM 0 HA HIS A 10 -8.526 27.573 -17.326 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.353 26.750 -18.035 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.404 28.497 -18.174 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.073 25.924 -17.211 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.824 29.278 -14.908 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -2.144 26.970 -15.780 1.00 0.00 H new ATOM 164 N GLY A 11 -8.305 25.389 -16.162 1.00 0.00 N ATOM 165 CA GLY A 11 -8.574 24.157 -15.406 1.00 0.00 C ATOM 166 C GLY A 11 -9.417 23.154 -16.213 1.00 0.00 C ATOM 167 O GLY A 11 -9.787 23.436 -17.359 1.00 0.00 O ATOM 0 H GLY A 11 -8.563 25.305 -17.145 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.629 23.692 -15.124 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.095 24.406 -14.481 1.00 0.00 H new ATOM 171 N SER A 12 -9.726 21.989 -15.637 1.00 0.00 N ATOM 172 CA SER A 12 -10.553 20.947 -16.278 1.00 0.00 C ATOM 173 C SER A 12 -11.288 20.031 -15.281 1.00 0.00 C ATOM 174 O SER A 12 -10.831 19.789 -14.159 1.00 0.00 O ATOM 175 CB SER A 12 -9.721 20.098 -17.256 1.00 0.00 C ATOM 176 OG SER A 12 -8.639 19.435 -16.616 1.00 0.00 O ATOM 0 H SER A 12 -9.408 21.734 -14.702 1.00 0.00 H new ATOM 0 HA SER A 12 -11.322 21.490 -16.828 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.367 19.359 -17.730 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.333 20.738 -18.049 1.00 0.00 H new ATOM 0 HG SER A 12 -8.142 18.908 -17.276 1.00 0.00 H new ATOM 182 N GLY A 58 -12.454 19.513 -15.693 1.00 0.00 N ATOM 183 CA GLY A 58 -13.277 18.599 -14.891 1.00 0.00 C ATOM 184 C GLY A 58 -12.689 17.183 -14.790 1.00 0.00 C ATOM 185 O GLY A 58 -12.166 16.646 -15.771 1.00 0.00 O ATOM 0 H GLY A 58 -12.857 19.721 -16.607 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.392 19.010 -13.888 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.274 18.541 -15.328 1.00 0.00 H new ATOM 189 N ALA A 59 -12.790 16.575 -13.603 1.00 0.00 N ATOM 190 CA ALA A 59 -12.317 15.222 -13.292 1.00 0.00 C ATOM 191 C ALA A 59 -13.123 14.582 -12.135 1.00 0.00 C ATOM 192 O ALA A 59 -13.873 15.270 -11.436 1.00 0.00 O ATOM 193 CB ALA A 59 -10.813 15.306 -12.978 1.00 0.00 C ATOM 0 H ALA A 59 -13.222 17.031 -12.799 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.473 14.568 -14.150 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.434 14.311 -12.743 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.282 15.701 -13.844 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.656 15.965 -12.124 1.00 0.00 H new ATOM 199 N LEU A 60 -12.968 13.264 -11.930 1.00 0.00 N ATOM 200 CA LEU A 60 -13.732 12.457 -10.958 1.00 0.00 C ATOM 201 C LEU A 60 -12.861 11.570 -10.046 1.00 0.00 C ATOM 202 O LEU A 60 -11.809 11.078 -10.451 1.00 0.00 O ATOM 203 CB LEU A 60 -14.770 11.621 -11.717 1.00 0.00 C ATOM 204 CG LEU A 60 -14.133 10.527 -12.602 1.00 0.00 C ATOM 205 CD1 LEU A 60 -14.211 9.139 -11.959 1.00 0.00 C ATOM 206 CD2 LEU A 60 -14.885 10.471 -13.925 1.00 0.00 C ATOM 0 H LEU A 60 -12.287 12.711 -12.451 1.00 0.00 H new ATOM 0 HA LEU A 60 -14.223 13.152 -10.277 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.446 11.154 -11.001 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.373 12.280 -12.341 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.083 10.785 -12.738 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.750 8.405 -12.620 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.684 9.150 -11.005 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.255 8.873 -11.794 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.446 9.702 -14.561 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.932 10.233 -13.738 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.816 11.438 -14.424 1.00 0.00 H new ATOM 218 N ALA A 61 -13.341 11.326 -8.825 1.00 0.00 N ATOM 219 CA ALA A 61 -12.692 10.467 -7.829 1.00 0.00 C ATOM 220 C ALA A 61 -13.697 9.860 -6.835 1.00 0.00 C ATOM 221 O ALA A 61 -14.721 10.479 -6.528 1.00 0.00 O ATOM 222 CB ALA A 61 -11.647 11.292 -7.069 1.00 0.00 C ATOM 0 H ALA A 61 -14.216 11.731 -8.491 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.221 9.637 -8.356 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.158 10.663 -6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.903 11.671 -7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.136 12.129 -6.571 1.00 0.00 H new ATOM 228 N ALA A 62 -13.374 8.683 -6.292 1.00 0.00 N ATOM 229 CA ALA A 62 -14.149 7.984 -5.268 1.00 0.00 C ATOM 230 C ALA A 62 -13.403 7.764 -3.942 1.00 0.00 C ATOM 231 O ALA A 62 -12.173 7.694 -3.900 1.00 0.00 O ATOM 232 CB ALA A 62 -14.676 6.665 -5.851 1.00 0.00 C ATOM 0 H ALA A 62 -12.534 8.173 -6.565 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.982 8.633 -4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.255 6.138 -5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.311 6.876 -6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.836 6.044 -6.163 1.00 0.00 H new ATOM 238 N LEU A 63 -14.171 7.635 -2.853 1.00 0.00 N ATOM 239 CA LEU A 63 -13.681 7.469 -1.480 1.00 0.00 C ATOM 240 C LEU A 63 -14.281 6.228 -0.798 1.00 0.00 C ATOM 241 O LEU A 63 -15.439 5.870 -1.031 1.00 0.00 O ATOM 242 CB LEU A 63 -14.018 8.720 -0.642 1.00 0.00 C ATOM 243 CG LEU A 63 -13.436 10.054 -1.141 1.00 0.00 C ATOM 244 CD1 LEU A 63 -13.913 11.193 -0.239 1.00 0.00 C ATOM 245 CD2 LEU A 63 -11.912 10.052 -1.128 1.00 0.00 C ATOM 0 H LEU A 63 -15.190 7.644 -2.907 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.601 7.335 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.103 8.817 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.667 8.554 0.377 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.780 10.191 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.499 12.137 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -15.002 11.243 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.579 11.012 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.544 11.013 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.557 9.885 -0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.544 9.257 -1.776 1.00 0.00 H new ATOM 257 N HIS A 64 -13.513 5.622 0.108 1.00 0.00 N ATOM 258 CA HIS A 64 -14.016 4.672 1.108 1.00 0.00 C ATOM 259 C HIS A 64 -14.856 5.402 2.169 1.00 0.00 C ATOM 260 O HIS A 64 -14.506 6.510 2.581 1.00 0.00 O ATOM 261 CB HIS A 64 -12.830 3.966 1.775 1.00 0.00 C ATOM 262 CG HIS A 64 -12.080 2.993 0.899 1.00 0.00 C ATOM 263 ND1 HIS A 64 -12.584 1.779 0.431 1.00 0.00 N ATOM 264 CD2 HIS A 64 -10.766 3.099 0.544 1.00 0.00 C ATOM 265 CE1 HIS A 64 -11.561 1.183 -0.202 1.00 0.00 C ATOM 266 NE2 HIS A 64 -10.459 1.953 -0.156 1.00 0.00 N ATOM 0 H HIS A 64 -12.507 5.778 0.171 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.650 3.936 0.614 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.131 4.723 2.129 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.194 3.432 2.653 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.099 3.919 0.768 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.615 0.217 -0.682 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.553 1.728 -0.568 1.00 0.00 H new ATOM 274 N ALA A 65 -15.942 4.781 2.642 1.00 0.00 N ATOM 275 CA ALA A 65 -16.922 5.421 3.531 1.00 0.00 C ATOM 276 C ALA A 65 -16.888 4.937 4.999 1.00 0.00 C ATOM 277 O ALA A 65 -17.482 5.581 5.866 1.00 0.00 O ATOM 278 CB ALA A 65 -18.308 5.222 2.906 1.00 0.00 C ATOM 0 H ALA A 65 -16.169 3.812 2.418 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.663 6.477 3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.063 5.686 3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.331 5.683 1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.516 4.156 2.814 1.00 0.00 H new ATOM 284 N GLU A 66 -16.215 3.816 5.295 1.00 0.00 N ATOM 285 CA GLU A 66 -16.250 3.139 6.606 1.00 0.00 C ATOM 286 C GLU A 66 -14.866 2.633 7.061 1.00 0.00 C ATOM 287 O GLU A 66 -13.963 2.414 6.247 1.00 0.00 O ATOM 288 CB GLU A 66 -17.245 1.961 6.564 1.00 0.00 C ATOM 289 CG GLU A 66 -18.702 2.393 6.345 1.00 0.00 C ATOM 290 CD GLU A 66 -19.654 1.188 6.449 1.00 0.00 C ATOM 291 OE1 GLU A 66 -19.922 0.524 5.416 1.00 0.00 O ATOM 292 OE2 GLU A 66 -20.151 0.893 7.564 1.00 0.00 O ATOM 0 H GLU A 66 -15.618 3.342 4.618 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.574 3.882 7.334 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.953 1.279 5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.176 1.405 7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -18.978 3.144 7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -18.804 2.859 5.365 1.00 0.00 H new ATOM 299 N GLY A 67 -14.706 2.425 8.376 1.00 0.00 N ATOM 300 CA GLY A 67 -13.481 1.889 8.989 1.00 0.00 C ATOM 301 C GLY A 67 -12.275 2.846 8.945 1.00 0.00 C ATOM 302 O GLY A 67 -12.444 4.045 8.692 1.00 0.00 O ATOM 0 H GLY A 67 -15.438 2.628 9.057 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.690 1.636 10.028 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.212 0.962 8.483 1.00 0.00 H new ATOM 306 N PRO A 68 -11.037 2.346 9.151 1.00 0.00 N ATOM 307 CA PRO A 68 -9.812 3.164 9.125 1.00 0.00 C ATOM 308 C PRO A 68 -9.574 3.887 7.787 1.00 0.00 C ATOM 309 O PRO A 68 -8.906 4.920 7.741 1.00 0.00 O ATOM 310 CB PRO A 68 -8.664 2.188 9.412 1.00 0.00 C ATOM 311 CG PRO A 68 -9.228 0.811 9.073 1.00 0.00 C ATOM 312 CD PRO A 68 -10.704 0.951 9.423 1.00 0.00 C ATOM 0 HA PRO A 68 -9.891 3.964 9.861 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.789 2.417 8.804 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.351 2.241 10.455 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.084 0.563 8.021 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.748 0.024 9.654 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.316 0.277 8.823 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.885 0.701 10.468 1.00 0.00 H new ATOM 320 N LEU A 69 -10.138 3.349 6.700 1.00 0.00 N ATOM 321 CA LEU A 69 -10.061 3.891 5.342 1.00 0.00 C ATOM 322 C LEU A 69 -11.099 4.995 5.056 1.00 0.00 C ATOM 323 O LEU A 69 -11.016 5.632 4.005 1.00 0.00 O ATOM 324 CB LEU A 69 -10.146 2.698 4.362 1.00 0.00 C ATOM 325 CG LEU A 69 -8.793 2.208 3.809 1.00 0.00 C ATOM 326 CD1 LEU A 69 -7.748 1.953 4.897 1.00 0.00 C ATOM 327 CD2 LEU A 69 -8.979 0.890 3.056 1.00 0.00 C ATOM 0 H LEU A 69 -10.683 2.488 6.746 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.111 4.409 5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.637 1.867 4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.782 2.981 3.524 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.437 3.008 3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.821 1.611 4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.562 2.876 5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.116 1.190 5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.017 0.553 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.382 0.137 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.671 1.039 2.227 1.00 0.00 H new ATOM 339 N ALA A 70 -12.050 5.264 5.959 1.00 0.00 N ATOM 340 CA ALA A 70 -13.074 6.292 5.756 1.00 0.00 C ATOM 341 C ALA A 70 -12.458 7.660 5.390 1.00 0.00 C ATOM 342 O ALA A 70 -11.602 8.186 6.110 1.00 0.00 O ATOM 343 CB ALA A 70 -13.951 6.397 7.007 1.00 0.00 C ATOM 0 H ALA A 70 -12.130 4.774 6.850 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.693 5.994 4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.712 7.162 6.855 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.433 5.438 7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.333 6.666 7.863 1.00 0.00 H new ATOM 349 N GLY A 71 -12.900 8.234 4.265 1.00 0.00 N ATOM 350 CA GLY A 71 -12.398 9.506 3.731 1.00 0.00 C ATOM 351 C GLY A 71 -11.217 9.408 2.763 1.00 0.00 C ATOM 352 O GLY A 71 -10.761 10.445 2.281 1.00 0.00 O ATOM 0 H GLY A 71 -13.632 7.819 3.688 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.218 10.012 3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.104 10.138 4.569 1.00 0.00 H new ATOM 356 N LEU A 72 -10.711 8.203 2.477 1.00 0.00 N ATOM 357 CA LEU A 72 -9.511 7.990 1.658 1.00 0.00 C ATOM 358 C LEU A 72 -9.854 7.427 0.253 1.00 0.00 C ATOM 359 O LEU A 72 -10.882 6.761 0.114 1.00 0.00 O ATOM 360 CB LEU A 72 -8.556 7.074 2.442 1.00 0.00 C ATOM 361 CG LEU A 72 -8.199 7.484 3.885 1.00 0.00 C ATOM 362 CD1 LEU A 72 -7.101 6.549 4.400 1.00 0.00 C ATOM 363 CD2 LEU A 72 -7.693 8.923 4.000 1.00 0.00 C ATOM 0 H LEU A 72 -11.129 7.335 2.813 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.021 8.945 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.997 6.078 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.628 6.993 1.876 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.114 7.412 4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.837 6.826 5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.462 5.521 4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.222 6.634 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.461 9.145 5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.795 9.042 3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.463 9.609 3.646 1.00 0.00 H new ATOM 375 N PRO A 73 -9.024 7.658 -0.791 1.00 0.00 N ATOM 376 CA PRO A 73 -9.249 7.156 -2.159 1.00 0.00 C ATOM 377 C PRO A 73 -9.408 5.638 -2.221 1.00 0.00 C ATOM 378 O PRO A 73 -8.697 4.904 -1.534 1.00 0.00 O ATOM 379 CB PRO A 73 -8.038 7.611 -2.985 1.00 0.00 C ATOM 380 CG PRO A 73 -6.954 7.848 -1.937 1.00 0.00 C ATOM 381 CD PRO A 73 -7.743 8.349 -0.735 1.00 0.00 C ATOM 0 HA PRO A 73 -10.185 7.555 -2.549 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.738 6.852 -3.707 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.256 8.518 -3.548 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.407 6.933 -1.708 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.221 8.582 -2.273 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.220 8.130 0.196 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.878 9.430 -0.778 1.00 0.00 H new ATOM 389 N VAL A 74 -10.294 5.159 -3.093 1.00 0.00 N ATOM 390 CA VAL A 74 -10.427 3.719 -3.365 1.00 0.00 C ATOM 391 C VAL A 74 -9.296 3.232 -4.282 1.00 0.00 C ATOM 392 O VAL A 74 -8.811 2.112 -4.107 1.00 0.00 O ATOM 393 CB VAL A 74 -11.826 3.366 -3.917 1.00 0.00 C ATOM 394 CG1 VAL A 74 -12.018 1.853 -4.055 1.00 0.00 C ATOM 395 CG2 VAL A 74 -12.936 3.871 -2.987 1.00 0.00 C ATOM 0 H VAL A 74 -10.935 5.745 -3.628 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.330 3.187 -2.419 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.889 3.847 -4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -13.014 1.647 -4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.270 1.452 -4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.907 1.382 -3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.908 3.607 -3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.825 3.411 -2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.865 4.954 -2.891 1.00 0.00 H new ATOM 405 N THR A 75 -8.829 4.074 -5.215 1.00 0.00 N ATOM 406 CA THR A 75 -7.821 3.721 -6.234 1.00 0.00 C ATOM 407 C THR A 75 -6.714 4.771 -6.380 1.00 0.00 C ATOM 408 O THR A 75 -6.859 5.922 -5.963 1.00 0.00 O ATOM 409 CB THR A 75 -8.480 3.469 -7.608 1.00 0.00 C ATOM 410 OG1 THR A 75 -8.688 4.692 -8.286 1.00 0.00 O ATOM 411 CG2 THR A 75 -9.825 2.748 -7.521 1.00 0.00 C ATOM 0 H THR A 75 -9.146 5.041 -5.287 1.00 0.00 H new ATOM 0 HA THR A 75 -7.354 2.803 -5.879 1.00 0.00 H new ATOM 0 HB THR A 75 -7.786 2.825 -8.148 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.105 4.517 -9.156 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.227 2.606 -8.524 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.687 1.777 -7.044 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.521 3.346 -6.932 1.00 0.00 H new ATOM 419 N ARG A 76 -5.601 4.400 -7.033 1.00 0.00 N ATOM 420 CA ARG A 76 -4.524 5.346 -7.400 1.00 0.00 C ATOM 421 C ARG A 76 -5.010 6.463 -8.332 1.00 0.00 C ATOM 422 O ARG A 76 -4.553 7.596 -8.209 1.00 0.00 O ATOM 423 CB ARG A 76 -3.301 4.587 -7.962 1.00 0.00 C ATOM 424 CG ARG A 76 -3.574 3.796 -9.258 1.00 0.00 C ATOM 425 CD ARG A 76 -2.352 2.980 -9.709 1.00 0.00 C ATOM 426 NE ARG A 76 -1.273 3.833 -10.239 1.00 0.00 N ATOM 427 CZ ARG A 76 -1.041 4.175 -11.490 1.00 0.00 C ATOM 428 NH1 ARG A 76 -1.836 3.853 -12.474 1.00 0.00 N ATOM 429 NH2 ARG A 76 0.026 4.863 -11.769 1.00 0.00 N ATOM 0 H ARG A 76 -5.418 3.439 -7.323 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.205 5.853 -6.489 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.501 5.303 -8.151 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.937 3.897 -7.201 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.419 3.125 -9.101 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.859 4.488 -10.051 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.974 2.401 -8.866 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.657 2.267 -10.475 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.622 4.207 -9.548 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.681 3.312 -12.291 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.612 4.142 -13.426 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.670 5.130 -11.024 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.220 5.135 -12.733 1.00 0.00 H new ATOM 443 N SER A 77 -5.999 6.180 -9.183 1.00 0.00 N ATOM 444 CA SER A 77 -6.653 7.180 -10.041 1.00 0.00 C ATOM 445 C SER A 77 -7.501 8.159 -9.223 1.00 0.00 C ATOM 446 O SER A 77 -7.409 9.367 -9.442 1.00 0.00 O ATOM 447 CB SER A 77 -7.509 6.499 -11.112 1.00 0.00 C ATOM 448 OG SER A 77 -6.718 5.583 -11.860 1.00 0.00 O ATOM 0 H SER A 77 -6.375 5.239 -9.300 1.00 0.00 H new ATOM 0 HA SER A 77 -5.866 7.752 -10.533 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.342 5.974 -10.644 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.938 7.249 -11.777 1.00 0.00 H new ATOM 0 HG SER A 77 -7.274 5.151 -12.541 1.00 0.00 H new ATOM 454 N ASP A 78 -8.246 7.680 -8.215 1.00 0.00 N ATOM 455 CA ASP A 78 -8.956 8.568 -7.285 1.00 0.00 C ATOM 456 C ASP A 78 -7.965 9.457 -6.533 1.00 0.00 C ATOM 457 O ASP A 78 -8.166 10.663 -6.459 1.00 0.00 O ATOM 458 CB ASP A 78 -9.794 7.800 -6.251 1.00 0.00 C ATOM 459 CG ASP A 78 -10.815 6.832 -6.847 1.00 0.00 C ATOM 460 OD1 ASP A 78 -11.483 7.195 -7.847 1.00 0.00 O ATOM 461 OD2 ASP A 78 -11.010 5.764 -6.231 1.00 0.00 O ATOM 0 H ASP A 78 -8.372 6.686 -8.024 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.630 9.169 -7.896 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.121 7.241 -5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.320 8.519 -5.623 1.00 0.00 H new ATOM 466 N ALA A 79 -6.862 8.893 -6.033 1.00 0.00 N ATOM 467 CA ALA A 79 -5.824 9.640 -5.322 1.00 0.00 C ATOM 468 C ALA A 79 -5.186 10.733 -6.201 1.00 0.00 C ATOM 469 O ALA A 79 -5.111 11.892 -5.794 1.00 0.00 O ATOM 470 CB ALA A 79 -4.787 8.633 -4.813 1.00 0.00 C ATOM 0 H ALA A 79 -6.664 7.896 -6.112 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.267 10.173 -4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.999 9.162 -4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.269 7.923 -4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.355 8.097 -5.658 1.00 0.00 H new ATOM 476 N ARG A 80 -4.801 10.397 -7.442 1.00 0.00 N ATOM 477 CA ARG A 80 -4.273 11.341 -8.447 1.00 0.00 C ATOM 478 C ARG A 80 -5.251 12.488 -8.719 1.00 0.00 C ATOM 479 O ARG A 80 -4.844 13.647 -8.708 1.00 0.00 O ATOM 480 CB ARG A 80 -3.929 10.535 -9.716 1.00 0.00 C ATOM 481 CG ARG A 80 -3.220 11.380 -10.782 1.00 0.00 C ATOM 482 CD ARG A 80 -2.801 10.529 -11.986 1.00 0.00 C ATOM 483 NE ARG A 80 -2.090 11.350 -12.988 1.00 0.00 N ATOM 484 CZ ARG A 80 -2.585 11.929 -14.070 1.00 0.00 C ATOM 485 NH1 ARG A 80 -3.846 11.849 -14.391 1.00 0.00 N ATOM 486 NH2 ARG A 80 -1.810 12.617 -14.855 1.00 0.00 N ATOM 0 H ARG A 80 -4.848 9.438 -7.786 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.370 11.824 -8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.293 9.692 -9.445 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.845 10.121 -10.137 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.882 12.180 -11.113 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.340 11.854 -10.346 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.158 9.714 -11.654 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.682 10.075 -12.440 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.093 11.488 -12.825 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.491 11.325 -13.799 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.188 12.310 -15.234 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.818 12.711 -14.637 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.194 13.062 -15.688 1.00 0.00 H new ATOM 500 N VAL A 81 -6.538 12.188 -8.898 1.00 0.00 N ATOM 501 CA VAL A 81 -7.565 13.211 -9.155 1.00 0.00 C ATOM 502 C VAL A 81 -7.923 14.015 -7.896 1.00 0.00 C ATOM 503 O VAL A 81 -8.140 15.217 -8.010 1.00 0.00 O ATOM 504 CB VAL A 81 -8.805 12.602 -9.837 1.00 0.00 C ATOM 505 CG1 VAL A 81 -9.915 13.648 -10.004 1.00 0.00 C ATOM 506 CG2 VAL A 81 -8.455 12.086 -11.241 1.00 0.00 C ATOM 0 H VAL A 81 -6.902 11.235 -8.870 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.134 13.929 -9.853 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.145 11.787 -9.199 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.777 13.189 -10.488 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.208 14.027 -9.025 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.550 14.471 -10.618 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.345 11.660 -11.704 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.088 12.911 -11.851 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.683 11.320 -11.165 1.00 0.00 H new ATOM 516 N LEU A 82 -7.910 13.430 -6.692 1.00 0.00 N ATOM 517 CA LEU A 82 -8.081 14.190 -5.444 1.00 0.00 C ATOM 518 C LEU A 82 -6.940 15.200 -5.248 1.00 0.00 C ATOM 519 O LEU A 82 -7.210 16.365 -4.963 1.00 0.00 O ATOM 520 CB LEU A 82 -8.184 13.221 -4.252 1.00 0.00 C ATOM 521 CG LEU A 82 -9.515 12.446 -4.193 1.00 0.00 C ATOM 522 CD1 LEU A 82 -9.358 11.245 -3.268 1.00 0.00 C ATOM 523 CD2 LEU A 82 -10.678 13.302 -3.689 1.00 0.00 C ATOM 0 H LEU A 82 -7.782 12.428 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.007 14.761 -5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.361 12.508 -4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.061 13.784 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.749 12.135 -5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.298 10.694 -3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.573 10.592 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.091 11.588 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.589 12.703 -3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.457 13.660 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.818 14.153 -4.355 1.00 0.00 H new ATOM 535 N ILE A 83 -5.683 14.801 -5.490 1.00 0.00 N ATOM 536 CA ILE A 83 -4.527 15.718 -5.458 1.00 0.00 C ATOM 537 C ILE A 83 -4.665 16.808 -6.533 1.00 0.00 C ATOM 538 O ILE A 83 -4.423 17.982 -6.251 1.00 0.00 O ATOM 539 CB ILE A 83 -3.197 14.944 -5.617 1.00 0.00 C ATOM 540 CG1 ILE A 83 -2.973 13.958 -4.446 1.00 0.00 C ATOM 541 CG2 ILE A 83 -2.016 15.936 -5.696 1.00 0.00 C ATOM 542 CD1 ILE A 83 -1.964 12.849 -4.769 1.00 0.00 C ATOM 0 H ILE A 83 -5.436 13.837 -5.713 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.511 16.206 -4.483 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.254 14.367 -6.540 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.625 14.513 -3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.926 13.504 -4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.083 15.383 -5.808 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.152 16.596 -6.553 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.978 16.530 -4.783 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.855 12.194 -3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.320 12.270 -5.621 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.999 13.294 -5.011 1.00 0.00 H new ATOM 554 N PHE A 84 -5.097 16.449 -7.749 1.00 0.00 N ATOM 555 CA PHE A 84 -5.342 17.422 -8.814 1.00 0.00 C ATOM 556 C PHE A 84 -6.420 18.449 -8.429 1.00 0.00 C ATOM 557 O PHE A 84 -6.186 19.650 -8.539 1.00 0.00 O ATOM 558 CB PHE A 84 -5.737 16.693 -10.108 1.00 0.00 C ATOM 559 CG PHE A 84 -6.090 17.586 -11.289 1.00 0.00 C ATOM 560 CD1 PHE A 84 -5.470 18.840 -11.470 1.00 0.00 C ATOM 561 CD2 PHE A 84 -7.064 17.161 -12.216 1.00 0.00 C ATOM 562 CE1 PHE A 84 -5.792 19.644 -12.573 1.00 0.00 C ATOM 563 CE2 PHE A 84 -7.395 17.973 -13.317 1.00 0.00 C ATOM 564 CZ PHE A 84 -6.757 19.212 -13.499 1.00 0.00 C ATOM 0 H PHE A 84 -5.284 15.483 -8.018 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.416 17.974 -8.974 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.914 16.042 -10.402 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.591 16.050 -9.895 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.740 19.184 -10.752 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -7.557 16.210 -12.081 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.299 20.595 -12.711 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.142 17.643 -14.024 1.00 0.00 H new ATOM 0 HZ PHE A 84 -7.008 19.830 -14.348 1.00 0.00 H new ATOM 574 N ASN A 85 -7.582 18.005 -7.946 1.00 0.00 N ATOM 575 CA ASN A 85 -8.680 18.906 -7.600 1.00 0.00 C ATOM 576 C ASN A 85 -8.359 19.769 -6.362 1.00 0.00 C ATOM 577 O ASN A 85 -8.731 20.942 -6.323 1.00 0.00 O ATOM 578 CB ASN A 85 -9.954 18.066 -7.413 1.00 0.00 C ATOM 579 CG ASN A 85 -11.168 18.940 -7.135 1.00 0.00 C ATOM 580 OD1 ASN A 85 -11.719 19.574 -8.023 1.00 0.00 O ATOM 581 ND2 ASN A 85 -11.615 19.019 -5.900 1.00 0.00 N ATOM 0 H ASN A 85 -7.786 17.019 -7.785 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.834 19.618 -8.411 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.132 17.470 -8.308 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.812 17.368 -6.588 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.419 19.608 -5.686 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -11.157 18.491 -5.157 1.00 0.00 H new ATOM 588 N GLU A 86 -7.627 19.219 -5.385 1.00 0.00 N ATOM 589 CA GLU A 86 -7.051 19.969 -4.261 1.00 0.00 C ATOM 590 C GLU A 86 -6.154 21.107 -4.775 1.00 0.00 C ATOM 591 O GLU A 86 -6.422 22.274 -4.479 1.00 0.00 O ATOM 592 CB GLU A 86 -6.265 19.001 -3.357 1.00 0.00 C ATOM 593 CG GLU A 86 -5.602 19.659 -2.140 1.00 0.00 C ATOM 594 CD GLU A 86 -4.598 18.686 -1.493 1.00 0.00 C ATOM 595 OE1 GLU A 86 -5.009 17.666 -0.891 1.00 0.00 O ATOM 596 OE2 GLU A 86 -3.369 18.901 -1.601 1.00 0.00 O ATOM 0 H GLU A 86 -7.414 18.222 -5.353 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.851 20.424 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.941 18.221 -3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.495 18.512 -3.954 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.091 20.572 -2.444 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.362 19.946 -1.413 1.00 0.00 H new ATOM 603 N TRP A 87 -5.144 20.785 -5.598 1.00 0.00 N ATOM 604 CA TRP A 87 -4.311 21.786 -6.256 1.00 0.00 C ATOM 605 C TRP A 87 -5.147 22.813 -7.015 1.00 0.00 C ATOM 606 O TRP A 87 -4.884 24.001 -6.876 1.00 0.00 O ATOM 607 CB TRP A 87 -3.325 21.125 -7.226 1.00 0.00 C ATOM 608 CG TRP A 87 -2.591 22.110 -8.087 1.00 0.00 C ATOM 609 CD1 TRP A 87 -1.483 22.780 -7.712 1.00 0.00 C ATOM 610 CD2 TRP A 87 -2.946 22.631 -9.416 1.00 0.00 C ATOM 611 NE1 TRP A 87 -1.102 23.650 -8.715 1.00 0.00 N ATOM 612 CE2 TRP A 87 -1.960 23.595 -9.788 1.00 0.00 C ATOM 613 CE3 TRP A 87 -4.006 22.424 -10.331 1.00 0.00 C ATOM 614 CZ2 TRP A 87 -1.994 24.281 -11.009 1.00 0.00 C ATOM 615 CZ3 TRP A 87 -4.057 23.119 -11.555 1.00 0.00 C ATOM 616 CH2 TRP A 87 -3.052 24.039 -11.899 1.00 0.00 C ATOM 0 H TRP A 87 -4.888 19.823 -5.821 1.00 0.00 H new ATOM 0 HA TRP A 87 -3.760 22.301 -5.469 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.602 20.541 -6.657 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.867 20.427 -7.865 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -0.971 22.655 -6.770 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -0.285 24.258 -8.666 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.789 21.721 -10.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -1.217 24.987 -11.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -4.877 22.943 -12.236 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.094 24.558 -12.845 1.00 0.00 H new ATOM 627 N GLU A 88 -6.151 22.396 -7.788 1.00 0.00 N ATOM 628 CA GLU A 88 -6.898 23.305 -8.653 1.00 0.00 C ATOM 629 C GLU A 88 -7.734 24.316 -7.851 1.00 0.00 C ATOM 630 O GLU A 88 -7.725 25.506 -8.165 1.00 0.00 O ATOM 631 CB GLU A 88 -7.770 22.516 -9.642 1.00 0.00 C ATOM 632 CG GLU A 88 -8.012 23.364 -10.892 1.00 0.00 C ATOM 633 CD GLU A 88 -9.147 22.794 -11.766 1.00 0.00 C ATOM 634 OE1 GLU A 88 -10.337 22.966 -11.401 1.00 0.00 O ATOM 635 OE2 GLU A 88 -8.853 22.215 -12.840 1.00 0.00 O ATOM 0 H GLU A 88 -6.466 21.427 -7.831 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.172 23.885 -9.223 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.278 21.581 -9.912 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.720 22.253 -9.177 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.259 24.383 -10.596 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.094 23.416 -11.478 1.00 0.00 H new ATOM 642 N GLU A 89 -8.396 23.890 -6.773 1.00 0.00 N ATOM 643 CA GLU A 89 -9.153 24.787 -5.899 1.00 0.00 C ATOM 644 C GLU A 89 -8.225 25.753 -5.136 1.00 0.00 C ATOM 645 O GLU A 89 -8.461 26.968 -5.107 1.00 0.00 O ATOM 646 CB GLU A 89 -10.006 23.935 -4.945 1.00 0.00 C ATOM 647 CG GLU A 89 -11.176 24.712 -4.337 1.00 0.00 C ATOM 648 CD GLU A 89 -12.390 24.770 -5.291 1.00 0.00 C ATOM 649 OE1 GLU A 89 -12.322 25.455 -6.340 1.00 0.00 O ATOM 650 OE2 GLU A 89 -13.427 24.126 -4.995 1.00 0.00 O ATOM 0 H GLU A 89 -8.422 22.913 -6.482 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.809 25.415 -6.501 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.392 23.070 -5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.374 23.554 -4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.474 24.243 -3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.853 25.726 -4.099 1.00 0.00 H new ATOM 657 N ARG A 90 -7.106 25.238 -4.595 1.00 0.00 N ATOM 658 CA ARG A 90 -6.062 26.073 -3.973 1.00 0.00 C ATOM 659 C ARG A 90 -5.529 27.101 -4.966 1.00 0.00 C ATOM 660 O ARG A 90 -5.517 28.283 -4.653 1.00 0.00 O ATOM 661 CB ARG A 90 -4.894 25.207 -3.493 1.00 0.00 C ATOM 662 CG ARG A 90 -5.234 24.202 -2.389 1.00 0.00 C ATOM 663 CD ARG A 90 -5.043 24.743 -0.967 1.00 0.00 C ATOM 664 NE ARG A 90 -6.081 25.733 -0.607 1.00 0.00 N ATOM 665 CZ ARG A 90 -5.951 26.775 0.200 1.00 0.00 C ATOM 666 NH1 ARG A 90 -4.824 27.067 0.786 1.00 0.00 N ATOM 667 NH2 ARG A 90 -6.969 27.550 0.445 1.00 0.00 N ATOM 0 H ARG A 90 -6.901 24.239 -4.576 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.514 26.585 -3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.493 24.661 -4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.101 25.863 -3.133 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.270 23.884 -2.509 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.612 23.316 -2.515 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.069 23.916 -0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.058 25.203 -0.883 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.000 25.598 -1.028 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.002 26.484 0.630 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.764 27.879 1.401 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.873 27.356 0.014 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.862 28.351 1.068 1.00 0.00 H new ATOM 681 N LYS A 91 -5.166 26.658 -6.169 1.00 0.00 N ATOM 682 CA LYS A 91 -4.712 27.485 -7.309 1.00 0.00 C ATOM 683 C LYS A 91 -5.720 28.580 -7.676 1.00 0.00 C ATOM 684 O LYS A 91 -5.314 29.721 -7.898 1.00 0.00 O ATOM 685 CB LYS A 91 -4.362 26.567 -8.500 1.00 0.00 C ATOM 686 CG LYS A 91 -3.949 27.274 -9.806 1.00 0.00 C ATOM 687 CD LYS A 91 -5.126 27.562 -10.755 1.00 0.00 C ATOM 688 CE LYS A 91 -4.593 28.003 -12.127 1.00 0.00 C ATOM 689 NZ LYS A 91 -5.697 28.348 -13.067 1.00 0.00 N ATOM 0 H LYS A 91 -5.178 25.664 -6.396 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.810 28.022 -7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.550 25.907 -8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.225 25.935 -8.711 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.455 28.214 -9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.217 26.657 -10.327 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.744 26.670 -10.864 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.762 28.341 -10.334 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.939 28.866 -12.002 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.988 27.204 -12.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.308 28.492 -14.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.389 27.572 -13.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.165 29.221 -12.748 1.00 0.00 H new ATOM 703 N LYS A 92 -7.023 28.273 -7.709 1.00 0.00 N ATOM 704 CA LYS A 92 -8.091 29.263 -7.946 1.00 0.00 C ATOM 705 C LYS A 92 -8.153 30.326 -6.836 1.00 0.00 C ATOM 706 O LYS A 92 -8.370 31.498 -7.146 1.00 0.00 O ATOM 707 CB LYS A 92 -9.444 28.551 -8.108 1.00 0.00 C ATOM 708 CG LYS A 92 -9.586 27.845 -9.472 1.00 0.00 C ATOM 709 CD LYS A 92 -10.697 26.785 -9.460 1.00 0.00 C ATOM 710 CE LYS A 92 -12.090 27.390 -9.221 1.00 0.00 C ATOM 711 NZ LYS A 92 -13.082 26.340 -8.863 1.00 0.00 N ATOM 0 H LYS A 92 -7.372 27.325 -7.571 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.857 29.790 -8.871 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.562 27.818 -7.310 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.248 29.278 -7.994 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -9.800 28.586 -10.243 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.639 27.374 -9.737 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -10.695 26.251 -10.410 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -10.485 26.051 -8.682 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -12.035 28.129 -8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.420 27.914 -10.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.015 26.777 -8.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -13.138 25.639 -9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -12.787 25.869 -7.984 1.00 0.00 H new ATOM 725 N SER A 93 -7.916 29.955 -5.572 1.00 0.00 N ATOM 726 CA SER A 93 -7.811 30.925 -4.464 1.00 0.00 C ATOM 727 C SER A 93 -6.463 31.679 -4.398 1.00 0.00 C ATOM 728 O SER A 93 -6.434 32.865 -4.059 1.00 0.00 O ATOM 729 CB SER A 93 -8.058 30.231 -3.121 1.00 0.00 C ATOM 730 OG SER A 93 -9.385 29.725 -3.063 1.00 0.00 O ATOM 0 H SER A 93 -7.792 28.984 -5.285 1.00 0.00 H new ATOM 0 HA SER A 93 -8.579 31.672 -4.667 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.345 29.417 -2.988 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.894 30.935 -2.305 1.00 0.00 H new ATOM 0 HG SER A 93 -9.529 29.283 -2.200 1.00 0.00 H new ATOM 736 N ASP A 94 -5.352 31.010 -4.715 1.00 0.00 N ATOM 737 CA ASP A 94 -3.960 31.423 -4.516 1.00 0.00 C ATOM 738 C ASP A 94 -3.051 30.740 -5.578 1.00 0.00 C ATOM 739 O ASP A 94 -2.747 29.549 -5.459 1.00 0.00 O ATOM 740 CB ASP A 94 -3.501 31.023 -3.101 1.00 0.00 C ATOM 741 CG ASP A 94 -4.129 31.901 -2.003 1.00 0.00 C ATOM 742 OD1 ASP A 94 -3.687 33.064 -1.840 1.00 0.00 O ATOM 743 OD2 ASP A 94 -5.026 31.418 -1.269 1.00 0.00 O ATOM 0 H ASP A 94 -5.407 30.091 -5.153 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.885 32.505 -4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.762 29.980 -2.920 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.415 31.095 -3.042 1.00 0.00 H new ATOM 748 N PRO A 95 -2.596 31.455 -6.624 1.00 0.00 N ATOM 749 CA PRO A 95 -2.098 30.860 -7.878 1.00 0.00 C ATOM 750 C PRO A 95 -0.701 30.207 -7.828 1.00 0.00 C ATOM 751 O PRO A 95 -0.329 29.498 -8.763 1.00 0.00 O ATOM 752 CB PRO A 95 -2.125 32.014 -8.891 1.00 0.00 C ATOM 753 CG PRO A 95 -1.920 33.242 -8.006 1.00 0.00 C ATOM 754 CD PRO A 95 -2.766 32.888 -6.791 1.00 0.00 C ATOM 0 HA PRO A 95 -2.734 30.014 -8.136 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.336 31.916 -9.637 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.071 32.057 -9.431 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.872 33.390 -7.746 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.261 34.157 -8.490 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.434 33.431 -5.906 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.813 33.146 -6.949 1.00 0.00 H new ATOM 762 N TRP A 96 0.083 30.443 -6.770 1.00 0.00 N ATOM 763 CA TRP A 96 1.489 30.016 -6.660 1.00 0.00 C ATOM 764 C TRP A 96 1.717 28.491 -6.615 1.00 0.00 C ATOM 765 O TRP A 96 2.827 28.034 -6.908 1.00 0.00 O ATOM 766 CB TRP A 96 2.086 30.624 -5.382 1.00 0.00 C ATOM 767 CG TRP A 96 1.619 29.969 -4.114 1.00 0.00 C ATOM 768 CD1 TRP A 96 0.381 30.086 -3.585 1.00 0.00 C ATOM 769 CD2 TRP A 96 2.321 29.008 -3.265 1.00 0.00 C ATOM 770 NE1 TRP A 96 0.272 29.289 -2.461 1.00 0.00 N ATOM 771 CE2 TRP A 96 1.435 28.588 -2.225 1.00 0.00 C ATOM 772 CE3 TRP A 96 3.607 28.426 -3.286 1.00 0.00 C ATOM 773 CZ2 TRP A 96 1.809 27.650 -1.252 1.00 0.00 C ATOM 774 CZ3 TRP A 96 3.993 27.479 -2.313 1.00 0.00 C ATOM 775 CH2 TRP A 96 3.099 27.093 -1.298 1.00 0.00 C ATOM 0 H TRP A 96 -0.246 30.947 -5.947 1.00 0.00 H new ATOM 0 HA TRP A 96 1.973 30.367 -7.571 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.173 30.557 -5.434 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.834 31.684 -5.345 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.406 30.710 -3.982 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -0.564 29.227 -1.880 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.306 28.710 -4.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.115 27.359 -0.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.982 27.047 -2.348 1.00 0.00 H new ATOM 0 HH2 TRP A 96 3.403 26.370 -0.555 1.00 0.00 H new ATOM 786 N LEU A 97 0.715 27.707 -6.188 1.00 0.00 N ATOM 787 CA LEU A 97 0.907 26.318 -5.762 1.00 0.00 C ATOM 788 C LEU A 97 1.357 25.388 -6.915 1.00 0.00 C ATOM 789 O LEU A 97 0.910 25.540 -8.055 1.00 0.00 O ATOM 790 CB LEU A 97 -0.398 25.831 -5.102 1.00 0.00 C ATOM 791 CG LEU A 97 -0.295 24.473 -4.379 1.00 0.00 C ATOM 792 CD1 LEU A 97 0.628 24.523 -3.160 1.00 0.00 C ATOM 793 CD2 LEU A 97 -1.681 24.056 -3.906 1.00 0.00 C ATOM 0 H LEU A 97 -0.253 28.023 -6.129 1.00 0.00 H new ATOM 0 HA LEU A 97 1.723 26.281 -5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.728 26.583 -4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.170 25.760 -5.868 1.00 0.00 H new ATOM 0 HG LEU A 97 0.122 23.760 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.663 23.540 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.631 24.811 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.248 25.254 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.617 23.096 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.073 24.808 -3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.346 23.965 -4.765 1.00 0.00 H new ATOM 805 N ARG A 98 2.184 24.373 -6.610 1.00 0.00 N ATOM 806 CA ARG A 98 2.617 23.310 -7.549 1.00 0.00 C ATOM 807 C ARG A 98 1.842 21.990 -7.372 1.00 0.00 C ATOM 808 O ARG A 98 1.384 21.679 -6.273 1.00 0.00 O ATOM 809 CB ARG A 98 4.145 23.122 -7.482 1.00 0.00 C ATOM 810 CG ARG A 98 4.668 22.629 -6.118 1.00 0.00 C ATOM 811 CD ARG A 98 6.183 22.388 -6.139 1.00 0.00 C ATOM 812 NE ARG A 98 6.950 23.642 -6.305 1.00 0.00 N ATOM 813 CZ ARG A 98 8.244 23.748 -6.555 1.00 0.00 C ATOM 814 NH1 ARG A 98 9.013 22.702 -6.676 1.00 0.00 N ATOM 815 NH2 ARG A 98 8.799 24.919 -6.685 1.00 0.00 N ATOM 0 H ARG A 98 2.584 24.262 -5.678 1.00 0.00 H new ATOM 0 HA ARG A 98 2.367 23.643 -8.556 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.445 22.410 -8.251 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.626 24.071 -7.720 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.428 23.364 -5.350 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.157 21.705 -5.846 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.484 21.901 -5.211 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.428 21.705 -6.952 1.00 0.00 H new ATOM 0 HE ARG A 98 6.427 24.514 -6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.620 21.766 -6.578 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.008 22.820 -6.869 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.235 25.764 -6.594 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.798 24.991 -6.878 1.00 0.00 H new ATOM 829 N LEU A 99 1.702 21.224 -8.458 1.00 0.00 N ATOM 830 CA LEU A 99 0.957 19.955 -8.527 1.00 0.00 C ATOM 831 C LEU A 99 1.952 18.778 -8.681 1.00 0.00 C ATOM 832 O LEU A 99 2.665 18.701 -9.684 1.00 0.00 O ATOM 833 CB LEU A 99 -0.038 20.060 -9.711 1.00 0.00 C ATOM 834 CG LEU A 99 -1.239 19.089 -9.768 1.00 0.00 C ATOM 835 CD1 LEU A 99 -1.877 19.163 -11.154 1.00 0.00 C ATOM 836 CD2 LEU A 99 -0.881 17.643 -9.502 1.00 0.00 C ATOM 0 H LEU A 99 2.121 21.478 -9.353 1.00 0.00 H new ATOM 0 HA LEU A 99 0.391 19.766 -7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.435 21.075 -9.718 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.531 19.934 -10.632 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.918 19.407 -8.977 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.725 18.480 -11.201 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.219 20.180 -11.343 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.142 18.881 -11.908 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.780 17.029 -9.561 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.160 17.304 -10.246 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.445 17.553 -8.507 1.00 0.00 H new ATOM 848 N ASP A 100 1.990 17.853 -7.711 1.00 0.00 N ATOM 849 CA ASP A 100 2.833 16.641 -7.742 1.00 0.00 C ATOM 850 C ASP A 100 2.047 15.391 -7.298 1.00 0.00 C ATOM 851 O ASP A 100 1.531 15.340 -6.181 1.00 0.00 O ATOM 852 CB ASP A 100 4.074 16.839 -6.856 1.00 0.00 C ATOM 853 CG ASP A 100 5.079 17.829 -7.469 1.00 0.00 C ATOM 854 OD1 ASP A 100 5.825 17.428 -8.397 1.00 0.00 O ATOM 855 OD2 ASP A 100 5.162 18.990 -6.999 1.00 0.00 O ATOM 0 H ASP A 100 1.426 17.925 -6.864 1.00 0.00 H new ATOM 0 HA ASP A 100 3.151 16.479 -8.772 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.763 17.201 -5.876 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.564 15.878 -6.701 1.00 0.00 H new ATOM 860 N MET A 101 1.946 14.382 -8.176 1.00 0.00 N ATOM 861 CA MET A 101 1.164 13.148 -7.950 1.00 0.00 C ATOM 862 C MET A 101 1.729 11.929 -8.705 1.00 0.00 C ATOM 863 O MET A 101 1.026 11.208 -9.415 1.00 0.00 O ATOM 864 CB MET A 101 -0.353 13.389 -8.150 1.00 0.00 C ATOM 865 CG MET A 101 -0.779 14.423 -9.194 1.00 0.00 C ATOM 866 SD MET A 101 -0.614 13.963 -10.938 1.00 0.00 S ATOM 867 CE MET A 101 -2.057 14.854 -11.589 1.00 0.00 C ATOM 0 H MET A 101 2.413 14.397 -9.082 1.00 0.00 H new ATOM 0 HA MET A 101 1.278 12.877 -6.900 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.811 12.436 -8.416 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.774 13.689 -7.190 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.823 14.677 -9.010 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.196 15.329 -9.028 1.00 0.00 H new ATOM 0 HE1 MET A 101 -2.256 14.528 -12.610 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.926 14.644 -10.966 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.856 15.925 -11.583 1.00 0.00 H new ATOM 877 N SER A 102 3.026 11.674 -8.499 1.00 0.00 N ATOM 878 CA SER A 102 3.643 10.366 -8.770 1.00 0.00 C ATOM 879 C SER A 102 3.119 9.304 -7.794 1.00 0.00 C ATOM 880 O SER A 102 2.699 9.626 -6.678 1.00 0.00 O ATOM 881 CB SER A 102 5.172 10.494 -8.687 1.00 0.00 C ATOM 882 OG SER A 102 5.804 9.255 -8.978 1.00 0.00 O ATOM 0 H SER A 102 3.680 12.369 -8.139 1.00 0.00 H new ATOM 0 HA SER A 102 3.373 10.044 -9.776 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.515 11.255 -9.388 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.459 10.827 -7.690 1.00 0.00 H new ATOM 0 HG SER A 102 6.776 9.362 -8.920 1.00 0.00 H new ATOM 888 N ASP A 103 3.189 8.021 -8.155 1.00 0.00 N ATOM 889 CA ASP A 103 2.739 6.911 -7.299 1.00 0.00 C ATOM 890 C ASP A 103 3.391 6.931 -5.906 1.00 0.00 C ATOM 891 O ASP A 103 2.730 6.620 -4.918 1.00 0.00 O ATOM 892 CB ASP A 103 3.005 5.577 -8.004 1.00 0.00 C ATOM 893 CG ASP A 103 2.013 5.354 -9.152 1.00 0.00 C ATOM 894 OD1 ASP A 103 0.839 5.016 -8.890 1.00 0.00 O ATOM 895 OD2 ASP A 103 2.381 5.513 -10.339 1.00 0.00 O ATOM 0 H ASP A 103 3.561 7.717 -9.055 1.00 0.00 H new ATOM 0 HA ASP A 103 1.668 7.034 -7.138 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.024 5.563 -8.391 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.926 4.760 -7.286 1.00 0.00 H new ATOM 900 N LYS A 104 4.636 7.416 -5.794 1.00 0.00 N ATOM 901 CA LYS A 104 5.314 7.648 -4.504 1.00 0.00 C ATOM 902 C LYS A 104 4.572 8.680 -3.640 1.00 0.00 C ATOM 903 O LYS A 104 4.383 8.448 -2.449 1.00 0.00 O ATOM 904 CB LYS A 104 6.776 8.078 -4.737 1.00 0.00 C ATOM 905 CG LYS A 104 7.750 6.924 -5.046 1.00 0.00 C ATOM 906 CD LYS A 104 7.474 6.177 -6.363 1.00 0.00 C ATOM 907 CE LYS A 104 8.632 5.251 -6.774 1.00 0.00 C ATOM 908 NZ LYS A 104 8.810 4.094 -5.847 1.00 0.00 N ATOM 0 H LYS A 104 5.208 7.661 -6.602 1.00 0.00 H new ATOM 0 HA LYS A 104 5.307 6.707 -3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.803 8.788 -5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.130 8.606 -3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 104 8.764 7.323 -5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.714 6.208 -4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.563 5.588 -6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.295 6.902 -7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.451 4.878 -7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.556 5.828 -6.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.603 3.506 -6.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.011 4.445 -4.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.940 3.524 -5.832 1.00 0.00 H new ATOM 922 N ALA A 105 4.075 9.771 -4.234 1.00 0.00 N ATOM 923 CA ALA A 105 3.235 10.761 -3.551 1.00 0.00 C ATOM 924 C ALA A 105 1.883 10.171 -3.133 1.00 0.00 C ATOM 925 O ALA A 105 1.415 10.423 -2.023 1.00 0.00 O ATOM 926 CB ALA A 105 3.086 12.003 -4.441 1.00 0.00 C ATOM 0 H ALA A 105 4.247 9.994 -5.214 1.00 0.00 H new ATOM 0 HA ALA A 105 3.723 11.062 -2.624 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.462 12.740 -3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.069 12.432 -4.635 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.621 11.720 -5.385 1.00 0.00 H new ATOM 932 N ILE A 106 1.290 9.320 -3.980 1.00 0.00 N ATOM 933 CA ILE A 106 0.009 8.664 -3.659 1.00 0.00 C ATOM 934 C ILE A 106 0.187 7.696 -2.493 1.00 0.00 C ATOM 935 O ILE A 106 -0.571 7.770 -1.534 1.00 0.00 O ATOM 936 CB ILE A 106 -0.619 7.999 -4.911 1.00 0.00 C ATOM 937 CG1 ILE A 106 -1.353 9.049 -5.768 1.00 0.00 C ATOM 938 CG2 ILE A 106 -1.633 6.889 -4.568 1.00 0.00 C ATOM 939 CD1 ILE A 106 -0.425 10.077 -6.411 1.00 0.00 C ATOM 0 H ILE A 106 1.673 9.068 -4.891 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.704 9.424 -3.338 1.00 0.00 H new ATOM 0 HB ILE A 106 0.215 7.553 -5.453 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.913 8.538 -6.552 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.080 9.569 -5.145 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.034 6.466 -5.489 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.136 6.106 -3.995 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.447 7.309 -3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.014 10.782 -6.998 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.116 10.616 -5.633 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.286 9.568 -7.062 1.00 0.00 H new ATOM 951 N PHE A 107 1.213 6.848 -2.519 1.00 0.00 N ATOM 952 CA PHE A 107 1.454 5.892 -1.432 1.00 0.00 C ATOM 953 C PHE A 107 1.872 6.590 -0.122 1.00 0.00 C ATOM 954 O PHE A 107 1.500 6.132 0.958 1.00 0.00 O ATOM 955 CB PHE A 107 2.488 4.836 -1.844 1.00 0.00 C ATOM 956 CG PHE A 107 2.213 4.068 -3.126 1.00 0.00 C ATOM 957 CD1 PHE A 107 0.896 3.829 -3.559 1.00 0.00 C ATOM 958 CD2 PHE A 107 3.289 3.561 -3.880 1.00 0.00 C ATOM 959 CE1 PHE A 107 0.655 3.116 -4.743 1.00 0.00 C ATOM 960 CE2 PHE A 107 3.048 2.835 -5.062 1.00 0.00 C ATOM 961 CZ PHE A 107 1.729 2.617 -5.497 1.00 0.00 C ATOM 0 H PHE A 107 1.892 6.801 -3.279 1.00 0.00 H new ATOM 0 HA PHE A 107 0.507 5.388 -1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.455 5.329 -1.945 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.580 4.116 -1.031 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.065 4.197 -2.976 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.303 3.730 -3.550 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.359 2.951 -5.075 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.877 2.445 -5.635 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.543 2.068 -6.408 1.00 0.00 H new ATOM 971 N ARG A 108 2.591 7.724 -0.197 1.00 0.00 N ATOM 972 CA ARG A 108 2.973 8.522 0.986 1.00 0.00 C ATOM 973 C ARG A 108 1.773 9.225 1.636 1.00 0.00 C ATOM 974 O ARG A 108 1.683 9.243 2.865 1.00 0.00 O ATOM 975 CB ARG A 108 4.100 9.500 0.606 1.00 0.00 C ATOM 976 CG ARG A 108 4.743 10.148 1.842 1.00 0.00 C ATOM 977 CD ARG A 108 5.947 11.015 1.456 1.00 0.00 C ATOM 978 NE ARG A 108 6.660 11.506 2.655 1.00 0.00 N ATOM 979 CZ ARG A 108 6.400 12.586 3.373 1.00 0.00 C ATOM 980 NH1 ARG A 108 5.427 13.404 3.081 1.00 0.00 N ATOM 981 NH2 ARG A 108 7.127 12.866 4.418 1.00 0.00 N ATOM 0 H ARG A 108 2.924 8.115 -1.078 1.00 0.00 H new ATOM 0 HA ARG A 108 3.351 7.844 1.751 1.00 0.00 H new ATOM 0 HB2 ARG A 108 4.863 8.970 0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 108 3.700 10.278 -0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 108 4.004 10.759 2.360 1.00 0.00 H new ATOM 0 HG3 ARG A 108 5.060 9.372 2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.631 10.436 0.835 1.00 0.00 H new ATOM 0 HD3 ARG A 108 5.611 11.862 0.857 1.00 0.00 H new ATOM 0 HE ARG A 108 7.450 10.942 2.967 1.00 0.00 H new ATOM 0 HH11 ARG A 108 4.833 13.222 2.272 1.00 0.00 H new ATOM 0 HH12 ARG A 108 5.260 14.226 3.661 1.00 0.00 H new ATOM 0 HH21 ARG A 108 7.897 12.252 4.683 1.00 0.00 H new ATOM 0 HH22 ARG A 108 6.926 13.699 4.971 1.00 0.00 H new ATOM 995 N ARG A 109 0.828 9.754 0.842 1.00 0.00 N ATOM 996 CA ARG A 109 -0.446 10.304 1.358 1.00 0.00 C ATOM 997 C ARG A 109 -1.405 9.211 1.852 1.00 0.00 C ATOM 998 O ARG A 109 -2.048 9.374 2.888 1.00 0.00 O ATOM 999 CB ARG A 109 -1.150 11.131 0.272 1.00 0.00 C ATOM 1000 CG ARG A 109 -0.563 12.536 0.076 1.00 0.00 C ATOM 1001 CD ARG A 109 -1.384 13.265 -0.994 1.00 0.00 C ATOM 1002 NE ARG A 109 -1.053 14.703 -1.066 1.00 0.00 N ATOM 1003 CZ ARG A 109 -1.901 15.721 -1.082 1.00 0.00 C ATOM 1004 NH1 ARG A 109 -3.188 15.573 -0.981 1.00 0.00 N ATOM 1005 NH2 ARG A 109 -1.476 16.939 -1.220 1.00 0.00 N ATOM 0 H ARG A 109 0.920 9.815 -0.172 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.188 10.935 2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -1.096 10.591 -0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -2.206 11.222 0.527 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.587 13.090 1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 109 0.482 12.470 -0.228 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -1.204 12.803 -1.965 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -2.446 13.148 -0.777 1.00 0.00 H new ATOM 0 HE ARG A 109 -0.061 14.938 -1.108 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -3.588 14.640 -0.884 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -3.798 16.390 -0.999 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -0.477 17.123 -1.318 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -2.140 17.713 -1.231 1.00 0.00 H new ATOM 1019 N TYR A 110 -1.498 8.115 1.097 1.00 0.00 N ATOM 1020 CA TYR A 110 -2.538 7.089 1.204 1.00 0.00 C ATOM 1021 C TYR A 110 -1.895 5.682 1.256 1.00 0.00 C ATOM 1022 O TYR A 110 -1.769 5.010 0.225 1.00 0.00 O ATOM 1023 CB TYR A 110 -3.514 7.271 0.026 1.00 0.00 C ATOM 1024 CG TYR A 110 -4.001 8.691 -0.211 1.00 0.00 C ATOM 1025 CD1 TYR A 110 -4.829 9.327 0.733 1.00 0.00 C ATOM 1026 CD2 TYR A 110 -3.614 9.383 -1.376 1.00 0.00 C ATOM 1027 CE1 TYR A 110 -5.280 10.643 0.510 1.00 0.00 C ATOM 1028 CE2 TYR A 110 -4.064 10.699 -1.605 1.00 0.00 C ATOM 1029 CZ TYR A 110 -4.893 11.336 -0.660 1.00 0.00 C ATOM 1030 OH TYR A 110 -5.286 12.624 -0.873 1.00 0.00 O ATOM 0 H TYR A 110 -0.821 7.909 0.362 1.00 0.00 H new ATOM 0 HA TYR A 110 -3.104 7.193 2.130 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.028 6.916 -0.883 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -4.381 6.632 0.194 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -5.120 8.804 1.632 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -2.969 8.903 -2.097 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -5.922 11.123 1.234 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -3.773 11.220 -2.505 1.00 0.00 H new ATOM 0 HH TYR A 110 -4.925 12.939 -1.728 1.00 0.00 H new ATOM 1040 N PRO A 111 -1.447 5.218 2.441 1.00 0.00 N ATOM 1041 CA PRO A 111 -0.582 4.038 2.570 1.00 0.00 C ATOM 1042 C PRO A 111 -1.260 2.706 2.214 1.00 0.00 C ATOM 1043 O PRO A 111 -0.570 1.710 1.986 1.00 0.00 O ATOM 1044 CB PRO A 111 -0.081 4.063 4.020 1.00 0.00 C ATOM 1045 CG PRO A 111 -1.180 4.814 4.767 1.00 0.00 C ATOM 1046 CD PRO A 111 -1.628 5.850 3.741 1.00 0.00 C ATOM 0 HA PRO A 111 0.232 4.093 1.847 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.056 3.056 4.414 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.880 4.571 4.103 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.996 4.153 5.060 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -0.805 5.281 5.678 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -2.669 6.132 3.898 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.035 6.761 3.820 1.00 0.00 H new ATOM 1054 N HIS A 112 -2.596 2.672 2.118 1.00 0.00 N ATOM 1055 CA HIS A 112 -3.365 1.490 1.717 1.00 0.00 C ATOM 1056 C HIS A 112 -3.351 1.216 0.197 1.00 0.00 C ATOM 1057 O HIS A 112 -3.818 0.150 -0.219 1.00 0.00 O ATOM 1058 CB HIS A 112 -4.786 1.605 2.285 1.00 0.00 C ATOM 1059 CG HIS A 112 -5.631 2.685 1.657 1.00 0.00 C ATOM 1060 ND1 HIS A 112 -5.412 4.062 1.766 1.00 0.00 N ATOM 1061 CD2 HIS A 112 -6.688 2.463 0.825 1.00 0.00 C ATOM 1062 CE1 HIS A 112 -6.358 4.634 1.003 1.00 0.00 C ATOM 1063 NE2 HIS A 112 -7.147 3.703 0.445 1.00 0.00 N ATOM 0 H HIS A 112 -3.182 3.482 2.321 1.00 0.00 H new ATOM 0 HA HIS A 112 -2.876 0.613 2.141 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -5.292 0.648 2.159 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.720 1.792 3.357 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -7.086 1.505 0.524 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -6.469 5.699 0.858 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.950 3.884 -0.158 1.00 0.00 H new ATOM 1071 N LEU A 113 -2.813 2.126 -0.635 1.00 0.00 N ATOM 1072 CA LEU A 113 -2.729 1.934 -2.095 1.00 0.00 C ATOM 1073 C LEU A 113 -1.491 1.126 -2.542 1.00 0.00 C ATOM 1074 O LEU A 113 -1.575 0.438 -3.565 1.00 0.00 O ATOM 1075 CB LEU A 113 -2.802 3.287 -2.849 1.00 0.00 C ATOM 1076 CG LEU A 113 -4.194 3.919 -3.048 1.00 0.00 C ATOM 1077 CD1 LEU A 113 -5.172 3.030 -3.807 1.00 0.00 C ATOM 1078 CD2 LEU A 113 -4.858 4.247 -1.729 1.00 0.00 C ATOM 0 H LEU A 113 -2.425 3.014 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.600 1.335 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.181 4.004 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.352 3.148 -3.832 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.988 4.817 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.128 3.543 -3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.772 2.812 -4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.316 2.098 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.836 4.690 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.978 3.334 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.239 4.953 -1.176 1.00 0.00 H new ATOM 1090 N ARG A 114 -0.367 1.188 -1.801 1.00 0.00 N ATOM 1091 CA ARG A 114 0.861 0.422 -2.095 1.00 0.00 C ATOM 1092 C ARG A 114 0.638 -1.099 -2.050 1.00 0.00 C ATOM 1093 O ARG A 114 0.093 -1.613 -1.042 1.00 0.00 O ATOM 1094 CB ARG A 114 1.990 0.883 -1.156 1.00 0.00 C ATOM 1095 CG ARG A 114 3.401 0.450 -1.605 1.00 0.00 C ATOM 1096 CD ARG A 114 3.841 -0.924 -1.078 1.00 0.00 C ATOM 1097 NE ARG A 114 4.065 -0.912 0.383 1.00 0.00 N ATOM 1098 CZ ARG A 114 4.301 -1.960 1.151 1.00 0.00 C ATOM 1099 NH1 ARG A 114 4.359 -3.172 0.676 1.00 0.00 N ATOM 1100 NH2 ARG A 114 4.494 -1.806 2.428 1.00 0.00 N ATOM 1101 OXT ARG A 114 1.022 -1.786 -3.026 1.00 0.00 O ATOM 0 H ARG A 114 -0.285 1.778 -0.973 1.00 0.00 H new ATOM 0 HA ARG A 114 1.159 0.631 -3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.963 1.970 -1.079 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.801 0.488 -0.158 1.00 0.00 H new ATOM 0 HG2 ARG A 114 3.434 0.435 -2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.120 1.200 -1.275 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.081 -1.666 -1.322 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.758 -1.229 -1.583 1.00 0.00 H new ATOM 0 HE ARG A 114 4.034 -0.003 0.844 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.220 -3.336 -0.321 1.00 0.00 H new ATOM 0 HH12 ARG A 114 4.544 -3.956 1.301 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.463 -0.873 2.840 1.00 0.00 H new ATOM 0 HH22 ARG A 114 4.676 -2.618 3.018 1.00 0.00 H new TER 1115 ARG A 114