USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 683 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 64 ASN : amide:sc= -0.359 K(o=-0.088,f=1.2) USER MOD Set 1.2: A 83 GLN : amide:sc= 0.271 K(o=-0.088,f=-2.1) USER MOD Single : A 12 LYS NZ :NH3+ -138:sc= -0.396 (180deg=-1.78!) USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.037) USER MOD Single : A 20 HIS : no HD1:sc= -2.33 K(o=-2.3,f=-3.4!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00943 USER MOD Single : A 31 LYS NZ :NH3+ -115:sc= -0.0427 (180deg=-0.0788) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=-0.41) USER MOD Single : A 46 GLN : amide:sc= -2.05! C(o=-2.1!,f=-3.3!) USER MOD Single : A 51 CYS SG : rot -128:sc= -0.149 USER MOD Single : A 55 HIS : no HD1:sc= -4.29 K(o=-4.3,f=-5!) USER MOD Single : A 67 ASN : amide:sc= -0.0593 X(o=-0.059,f=-0.41) USER MOD Single : A 71 THR OG1 : rot -140:sc= -0.888 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -4.96! K(o=-5!,f=-2.8) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -16.762 -1.578 2.801 1.00 0.00 N ATOM 2 CA PRO A 9 -16.555 -1.066 1.418 1.00 0.00 C ATOM 3 C PRO A 9 -15.106 -1.243 0.956 1.00 0.00 C ATOM 4 O PRO A 9 -14.265 -0.365 1.164 1.00 0.00 O ATOM 5 CB PRO A 9 -16.940 0.412 1.412 1.00 0.00 C ATOM 6 CG PRO A 9 -17.450 0.674 2.791 1.00 0.00 C ATOM 7 CD PRO A 9 -16.871 -0.402 3.680 1.00 0.00 C ATOM 0 HA PRO A 9 -17.174 -1.633 0.723 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.083 1.044 1.180 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.702 0.620 0.661 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -17.148 1.663 3.134 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.540 0.649 2.812 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.899 -0.110 4.077 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.517 -0.602 4.535 1.00 0.00 H new ATOM 17 N ILE A 10 -14.822 -2.385 0.330 1.00 0.00 N ATOM 18 CA ILE A 10 -13.477 -2.678 -0.159 1.00 0.00 C ATOM 19 C ILE A 10 -13.244 -2.063 -1.542 1.00 0.00 C ATOM 20 O ILE A 10 -13.938 -2.393 -2.507 1.00 0.00 O ATOM 21 CB ILE A 10 -13.208 -4.203 -0.204 1.00 0.00 C ATOM 22 CG1 ILE A 10 -11.741 -4.480 -0.552 1.00 0.00 C ATOM 23 CG2 ILE A 10 -14.137 -4.894 -1.196 1.00 0.00 C ATOM 24 CD1 ILE A 10 -10.903 -4.896 0.639 1.00 0.00 C ATOM 0 H ILE A 10 -15.505 -3.121 0.150 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.776 -2.228 0.544 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.411 -4.612 0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.698 -5.264 -1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.306 -3.585 -0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -13.927 -5.963 -1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.173 -4.731 -0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -13.977 -4.482 -2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -9.877 -5.075 0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.915 -4.103 1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -11.313 -5.809 1.071 1.00 0.00 H new ATOM 36 N ARG A 11 -12.265 -1.161 -1.627 1.00 0.00 N ATOM 37 CA ARG A 11 -11.940 -0.493 -2.885 1.00 0.00 C ATOM 38 C ARG A 11 -10.605 -0.989 -3.441 1.00 0.00 C ATOM 39 O ARG A 11 -9.601 -1.027 -2.728 1.00 0.00 O ATOM 40 CB ARG A 11 -11.893 1.025 -2.684 1.00 0.00 C ATOM 41 CG ARG A 11 -12.813 1.792 -3.621 1.00 0.00 C ATOM 42 CD ARG A 11 -12.673 3.294 -3.429 1.00 0.00 C ATOM 43 NE ARG A 11 -13.873 4.017 -3.851 1.00 0.00 N ATOM 44 CZ ARG A 11 -15.016 4.037 -3.159 1.00 0.00 C ATOM 45 NH1 ARG A 11 -15.123 3.367 -2.012 1.00 0.00 N ATOM 46 NH2 ARG A 11 -16.054 4.730 -3.616 1.00 0.00 N ATOM 0 H ARG A 11 -11.684 -0.877 -0.838 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.722 -0.733 -3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.164 1.255 -1.654 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.870 1.371 -2.830 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.581 1.533 -4.654 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.847 1.495 -3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.472 3.508 -2.379 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.815 3.653 -3.997 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.835 4.538 -4.727 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.329 2.834 -1.657 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.999 3.387 -1.489 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.977 5.245 -4.493 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.928 4.747 -3.090 1.00 0.00 H new ATOM 60 N LYS A 12 -10.605 -1.365 -4.720 1.00 0.00 N ATOM 61 CA LYS A 12 -9.399 -1.859 -5.382 1.00 0.00 C ATOM 62 C LYS A 12 -8.814 -0.796 -6.313 1.00 0.00 C ATOM 63 O LYS A 12 -9.480 -0.347 -7.248 1.00 0.00 O ATOM 64 CB LYS A 12 -9.714 -3.132 -6.174 1.00 0.00 C ATOM 65 CG LYS A 12 -9.674 -4.402 -5.336 1.00 0.00 C ATOM 66 CD LYS A 12 -10.989 -4.635 -4.604 1.00 0.00 C ATOM 67 CE LYS A 12 -12.024 -5.300 -5.503 1.00 0.00 C ATOM 68 NZ LYS A 12 -12.842 -4.304 -6.256 1.00 0.00 N ATOM 0 H LYS A 12 -11.430 -1.336 -5.319 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.660 -2.089 -4.615 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.703 -3.035 -6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.001 -3.225 -6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.459 -5.256 -5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.862 -4.335 -4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.812 -5.260 -3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.378 -3.683 -4.243 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.519 -5.960 -6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.681 -5.924 -4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.839 -4.601 -6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.758 -3.372 -5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.500 -4.244 -7.236 1.00 0.00 H new ATOM 82 N VAL A 13 -7.568 -0.397 -6.050 1.00 0.00 N ATOM 83 CA VAL A 13 -6.894 0.616 -6.864 1.00 0.00 C ATOM 84 C VAL A 13 -5.550 0.102 -7.385 1.00 0.00 C ATOM 85 O VAL A 13 -4.764 -0.477 -6.634 1.00 0.00 O ATOM 86 CB VAL A 13 -6.657 1.920 -6.065 1.00 0.00 C ATOM 87 CG1 VAL A 13 -6.097 3.012 -6.967 1.00 0.00 C ATOM 88 CG2 VAL A 13 -7.941 2.389 -5.393 1.00 0.00 C ATOM 0 H VAL A 13 -7.006 -0.760 -5.280 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.551 0.829 -7.707 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.924 1.707 -5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.938 3.919 -6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.149 2.683 -7.391 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.803 3.217 -7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.747 3.307 -4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.701 2.577 -6.151 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.295 1.619 -4.708 1.00 0.00 H new ATOM 98 N LEU A 14 -5.290 0.326 -8.673 1.00 0.00 N ATOM 99 CA LEU A 14 -4.039 -0.109 -9.292 1.00 0.00 C ATOM 100 C LEU A 14 -3.040 1.045 -9.369 1.00 0.00 C ATOM 101 O LEU A 14 -3.341 2.103 -9.924 1.00 0.00 O ATOM 102 CB LEU A 14 -4.303 -0.669 -10.693 1.00 0.00 C ATOM 103 CG LEU A 14 -4.906 -2.076 -10.725 1.00 0.00 C ATOM 104 CD1 LEU A 14 -5.935 -2.193 -11.839 1.00 0.00 C ATOM 105 CD2 LEU A 14 -3.814 -3.124 -10.893 1.00 0.00 C ATOM 0 H LEU A 14 -5.929 0.806 -9.307 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.610 -0.896 -8.672 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.975 0.010 -11.218 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.364 -0.680 -11.246 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.409 -2.254 -9.774 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.352 -3.200 -11.845 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.734 -1.471 -11.673 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.457 -1.992 -12.798 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.263 -4.117 -10.913 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.281 -2.947 -11.827 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.116 -3.059 -10.059 1.00 0.00 H new ATOM 117 N LEU A 15 -1.848 0.831 -8.809 1.00 0.00 N ATOM 118 CA LEU A 15 -0.799 1.848 -8.811 1.00 0.00 C ATOM 119 C LEU A 15 0.328 1.467 -9.771 1.00 0.00 C ATOM 120 O LEU A 15 0.824 0.339 -9.745 1.00 0.00 O ATOM 121 CB LEU A 15 -0.240 2.037 -7.395 1.00 0.00 C ATOM 122 CG LEU A 15 -0.193 3.488 -6.902 1.00 0.00 C ATOM 123 CD1 LEU A 15 -1.352 3.773 -5.956 1.00 0.00 C ATOM 124 CD2 LEU A 15 1.137 3.778 -6.221 1.00 0.00 C ATOM 0 H LEU A 15 -1.586 -0.040 -8.348 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.237 2.787 -9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.845 1.454 -6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.769 1.626 -7.362 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.288 4.146 -7.766 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.300 4.808 -5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.295 3.609 -6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.292 3.107 -5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.152 4.812 -5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.262 3.111 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.951 3.619 -6.929 1.00 0.00 H new ATOM 136 N LEU A 16 0.729 2.417 -10.614 1.00 0.00 N ATOM 137 CA LEU A 16 1.799 2.187 -11.580 1.00 0.00 C ATOM 138 C LEU A 16 3.125 2.741 -11.062 1.00 0.00 C ATOM 139 O LEU A 16 3.272 3.952 -10.880 1.00 0.00 O ATOM 140 CB LEU A 16 1.450 2.836 -12.925 1.00 0.00 C ATOM 141 CG LEU A 16 1.864 2.038 -14.166 1.00 0.00 C ATOM 142 CD1 LEU A 16 3.368 1.801 -14.182 1.00 0.00 C ATOM 143 CD2 LEU A 16 1.110 0.716 -14.225 1.00 0.00 C ATOM 0 H LEU A 16 0.328 3.354 -10.647 1.00 0.00 H new ATOM 0 HA LEU A 16 1.904 1.111 -11.721 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.373 3.000 -12.962 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.923 3.817 -12.970 1.00 0.00 H new ATOM 0 HG LEU A 16 1.606 2.622 -15.049 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.637 1.233 -15.072 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.887 2.759 -14.192 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.658 1.241 -13.293 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.416 0.162 -15.112 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.335 0.129 -13.335 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.038 0.910 -14.270 1.00 0.00 H new ATOM 155 N LYS A 17 4.086 1.849 -10.826 1.00 0.00 N ATOM 156 CA LYS A 17 5.400 2.248 -10.330 1.00 0.00 C ATOM 157 C LYS A 17 6.511 1.526 -11.087 1.00 0.00 C ATOM 158 O LYS A 17 6.485 0.301 -11.230 1.00 0.00 O ATOM 159 CB LYS A 17 5.511 1.957 -8.830 1.00 0.00 C ATOM 160 CG LYS A 17 6.819 2.425 -8.206 1.00 0.00 C ATOM 161 CD LYS A 17 7.641 1.257 -7.684 1.00 0.00 C ATOM 162 CE LYS A 17 7.186 0.829 -6.295 1.00 0.00 C ATOM 163 NZ LYS A 17 8.281 0.927 -5.288 1.00 0.00 N ATOM 0 H LYS A 17 3.978 0.845 -10.971 1.00 0.00 H new ATOM 0 HA LYS A 17 5.514 3.320 -10.494 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.681 2.439 -8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.407 0.884 -8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.399 2.976 -8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.607 3.115 -7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.556 0.415 -8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.694 1.537 -7.653 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.349 1.452 -5.981 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.822 -0.198 -6.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.974 0.485 -4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.126 0.436 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.508 1.928 -5.118 1.00 0.00 H new ATOM 177 N GLU A 18 7.485 2.295 -11.569 1.00 0.00 N ATOM 178 CA GLU A 18 8.611 1.739 -12.312 1.00 0.00 C ATOM 179 C GLU A 18 9.803 1.493 -11.394 1.00 0.00 C ATOM 180 O GLU A 18 9.807 1.918 -10.238 1.00 0.00 O ATOM 181 CB GLU A 18 9.021 2.687 -13.441 1.00 0.00 C ATOM 182 CG GLU A 18 8.445 2.306 -14.794 1.00 0.00 C ATOM 183 CD GLU A 18 8.061 3.514 -15.623 1.00 0.00 C ATOM 184 OE1 GLU A 18 7.016 4.131 -15.327 1.00 0.00 O ATOM 185 OE2 GLU A 18 8.808 3.846 -16.569 1.00 0.00 O ATOM 0 H GLU A 18 7.516 3.308 -11.457 1.00 0.00 H new ATOM 0 HA GLU A 18 8.295 0.786 -12.736 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.699 3.698 -13.190 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.109 2.707 -13.511 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.176 1.711 -15.342 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.567 1.676 -14.647 1.00 0.00 H new ATOM 192 N ASP A 19 10.818 0.811 -11.923 1.00 0.00 N ATOM 193 CA ASP A 19 12.027 0.513 -11.157 1.00 0.00 C ATOM 194 C ASP A 19 12.703 1.799 -10.680 1.00 0.00 C ATOM 195 O ASP A 19 13.224 1.857 -9.564 1.00 0.00 O ATOM 196 CB ASP A 19 13.007 -0.307 -12.000 1.00 0.00 C ATOM 197 CG ASP A 19 13.967 -1.110 -11.146 1.00 0.00 C ATOM 198 OD1 ASP A 19 13.519 -2.084 -10.503 1.00 0.00 O ATOM 199 OD2 ASP A 19 15.167 -0.766 -11.118 1.00 0.00 O ATOM 0 H ASP A 19 10.827 0.455 -12.879 1.00 0.00 H new ATOM 0 HA ASP A 19 11.735 -0.070 -10.284 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.449 -0.982 -12.648 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.573 0.362 -12.648 1.00 0.00 H new ATOM 204 N HIS A 20 12.690 2.826 -11.533 1.00 0.00 N ATOM 205 CA HIS A 20 13.302 4.113 -11.200 1.00 0.00 C ATOM 206 C HIS A 20 12.424 4.928 -10.239 1.00 0.00 C ATOM 207 O HIS A 20 12.933 5.770 -9.497 1.00 0.00 O ATOM 208 CB HIS A 20 13.593 4.922 -12.474 1.00 0.00 C ATOM 209 CG HIS A 20 12.384 5.230 -13.311 1.00 0.00 C ATOM 210 ND1 HIS A 20 11.666 6.404 -13.197 1.00 0.00 N ATOM 211 CD2 HIS A 20 11.779 4.519 -14.295 1.00 0.00 C ATOM 212 CE1 HIS A 20 10.674 6.400 -14.071 1.00 0.00 C ATOM 213 NE2 HIS A 20 10.722 5.269 -14.748 1.00 0.00 N ATOM 0 H HIS A 20 12.263 2.791 -12.458 1.00 0.00 H new ATOM 0 HA HIS A 20 14.244 3.904 -10.693 1.00 0.00 H new ATOM 0 HB2 HIS A 20 14.071 5.860 -12.191 1.00 0.00 H new ATOM 0 HB3 HIS A 20 14.309 4.370 -13.083 1.00 0.00 H new ATOM 0 HD2 HIS A 20 12.074 3.544 -14.655 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.948 7.188 -14.207 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.077 4.995 -15.489 1.00 0.00 H new ATOM 222 N GLU A 21 11.108 4.681 -10.257 1.00 0.00 N ATOM 223 CA GLU A 21 10.172 5.404 -9.386 1.00 0.00 C ATOM 224 C GLU A 21 9.954 4.674 -8.058 1.00 0.00 C ATOM 225 O GLU A 21 10.338 3.513 -7.903 1.00 0.00 O ATOM 226 CB GLU A 21 8.824 5.598 -10.087 1.00 0.00 C ATOM 227 CG GLU A 21 8.931 6.212 -11.474 1.00 0.00 C ATOM 228 CD GLU A 21 7.720 7.048 -11.847 1.00 0.00 C ATOM 229 OE1 GLU A 21 6.581 6.565 -11.666 1.00 0.00 O ATOM 230 OE2 GLU A 21 7.911 8.186 -12.326 1.00 0.00 O ATOM 0 H GLU A 21 10.668 3.988 -10.863 1.00 0.00 H new ATOM 0 HA GLU A 21 10.617 6.376 -9.174 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.325 4.632 -10.166 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.192 6.234 -9.467 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.824 6.835 -11.522 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.057 5.417 -12.209 1.00 0.00 H new ATOM 237 N GLY A 22 9.328 5.372 -7.102 1.00 0.00 N ATOM 238 CA GLY A 22 9.059 4.790 -5.792 1.00 0.00 C ATOM 239 C GLY A 22 7.577 4.782 -5.436 1.00 0.00 C ATOM 240 O GLY A 22 6.725 5.001 -6.298 1.00 0.00 O ATOM 0 H GLY A 22 9.003 6.332 -7.214 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.438 3.768 -5.770 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.606 5.349 -5.033 1.00 0.00 H new ATOM 244 N LEU A 23 7.273 4.529 -4.158 1.00 0.00 N ATOM 245 CA LEU A 23 5.884 4.490 -3.682 1.00 0.00 C ATOM 246 C LEU A 23 5.228 5.870 -3.771 1.00 0.00 C ATOM 247 O LEU A 23 4.324 6.082 -4.581 1.00 0.00 O ATOM 248 CB LEU A 23 5.823 3.973 -2.236 1.00 0.00 C ATOM 249 CG LEU A 23 5.105 2.631 -2.044 1.00 0.00 C ATOM 250 CD1 LEU A 23 3.741 2.640 -2.722 1.00 0.00 C ATOM 251 CD2 LEU A 23 5.959 1.488 -2.572 1.00 0.00 C ATOM 0 H LEU A 23 7.969 4.348 -3.435 1.00 0.00 H new ATOM 0 HA LEU A 23 5.333 3.806 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.841 3.877 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.325 4.723 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 23 4.949 2.480 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.253 1.677 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.126 3.430 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.867 2.819 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.433 0.544 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.150 1.638 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.906 1.462 -2.033 1.00 0.00 H new ATOM 263 N GLY A 24 5.694 6.805 -2.939 1.00 0.00 N ATOM 264 CA GLY A 24 5.147 8.155 -2.945 1.00 0.00 C ATOM 265 C GLY A 24 4.251 8.469 -1.753 1.00 0.00 C ATOM 266 O GLY A 24 3.673 9.554 -1.685 1.00 0.00 O ATOM 0 H GLY A 24 6.441 6.650 -2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.970 8.869 -2.965 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.577 8.300 -3.863 1.00 0.00 H new ATOM 270 N ILE A 25 4.132 7.530 -0.811 1.00 0.00 N ATOM 271 CA ILE A 25 3.299 7.732 0.375 1.00 0.00 C ATOM 272 C ILE A 25 3.913 7.058 1.599 1.00 0.00 C ATOM 273 O ILE A 25 4.653 6.080 1.473 1.00 0.00 O ATOM 274 CB ILE A 25 1.859 7.197 0.179 1.00 0.00 C ATOM 275 CG1 ILE A 25 1.867 5.694 -0.131 1.00 0.00 C ATOM 276 CG2 ILE A 25 1.143 7.969 -0.919 1.00 0.00 C ATOM 277 CD1 ILE A 25 2.358 5.354 -1.524 1.00 0.00 C ATOM 0 H ILE A 25 4.601 6.625 -0.847 1.00 0.00 H new ATOM 0 HA ILE A 25 3.250 8.809 0.532 1.00 0.00 H new ATOM 0 HB ILE A 25 1.315 7.345 1.112 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.497 5.186 0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.857 5.303 -0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.133 7.577 -1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.093 9.024 -0.649 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.689 7.860 -1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.333 4.273 -1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.714 5.831 -2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.380 5.713 -1.647 1.00 0.00 H new ATOM 289 N SER A 26 3.591 7.582 2.781 1.00 0.00 N ATOM 290 CA SER A 26 4.102 7.031 4.032 1.00 0.00 C ATOM 291 C SER A 26 3.060 6.127 4.688 1.00 0.00 C ATOM 292 O SER A 26 1.873 6.460 4.733 1.00 0.00 O ATOM 293 CB SER A 26 4.501 8.159 4.987 1.00 0.00 C ATOM 294 OG SER A 26 5.669 7.822 5.715 1.00 0.00 O ATOM 0 H SER A 26 2.978 8.389 2.897 1.00 0.00 H new ATOM 0 HA SER A 26 4.985 6.433 3.808 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.673 9.075 4.421 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.683 8.360 5.679 1.00 0.00 H new ATOM 0 HG SER A 26 5.904 8.559 6.316 1.00 0.00 H new ATOM 300 N ILE A 27 3.515 4.982 5.193 1.00 0.00 N ATOM 301 CA ILE A 27 2.626 4.021 5.844 1.00 0.00 C ATOM 302 C ILE A 27 2.987 3.841 7.316 1.00 0.00 C ATOM 303 O ILE A 27 4.164 3.864 7.686 1.00 0.00 O ATOM 304 CB ILE A 27 2.662 2.645 5.139 1.00 0.00 C ATOM 305 CG1 ILE A 27 4.107 2.229 4.839 1.00 0.00 C ATOM 306 CG2 ILE A 27 1.839 2.685 3.856 1.00 0.00 C ATOM 307 CD1 ILE A 27 4.233 0.845 4.239 1.00 0.00 C ATOM 0 H ILE A 27 4.494 4.697 5.164 1.00 0.00 H new ATOM 0 HA ILE A 27 1.618 4.428 5.770 1.00 0.00 H new ATOM 0 HB ILE A 27 2.225 1.903 5.808 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.549 2.953 4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.686 2.269 5.762 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.874 1.710 3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.805 2.935 4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.249 3.439 3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.284 0.623 4.055 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.822 0.110 4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.684 0.805 3.299 1.00 0.00 H new ATOM 319 N THR A 28 1.966 3.664 8.153 1.00 0.00 N ATOM 320 CA THR A 28 2.169 3.484 9.589 1.00 0.00 C ATOM 321 C THR A 28 1.548 2.172 10.075 1.00 0.00 C ATOM 322 O THR A 28 0.651 1.621 9.431 1.00 0.00 O ATOM 323 CB THR A 28 1.580 4.673 10.362 1.00 0.00 C ATOM 324 OG1 THR A 28 1.814 4.537 11.754 1.00 0.00 O ATOM 325 CG2 THR A 28 0.087 4.849 10.159 1.00 0.00 C ATOM 0 H THR A 28 0.989 3.641 7.861 1.00 0.00 H new ATOM 0 HA THR A 28 3.242 3.437 9.776 1.00 0.00 H new ATOM 0 HB THR A 28 2.087 5.551 9.961 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.432 5.306 12.227 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.260 5.707 10.735 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.119 5.014 9.102 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.434 3.952 10.495 1.00 0.00 H new ATOM 333 N GLY A 29 2.037 1.680 11.214 1.00 0.00 N ATOM 334 CA GLY A 29 1.531 0.439 11.775 1.00 0.00 C ATOM 335 C GLY A 29 2.473 -0.727 11.540 1.00 0.00 C ATOM 336 O GLY A 29 3.695 -0.560 11.581 1.00 0.00 O ATOM 0 H GLY A 29 2.777 2.122 11.759 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.373 0.565 12.846 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.560 0.213 11.334 1.00 0.00 H new ATOM 340 N GLY A 30 1.908 -1.907 11.291 1.00 0.00 N ATOM 341 CA GLY A 30 2.724 -3.085 11.047 1.00 0.00 C ATOM 342 C GLY A 30 2.215 -4.317 11.771 1.00 0.00 C ATOM 343 O GLY A 30 1.875 -4.254 12.955 1.00 0.00 O ATOM 0 H GLY A 30 0.901 -2.068 11.254 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.753 -3.285 9.976 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.748 -2.883 11.361 1.00 0.00 H new ATOM 347 N LYS A 31 2.171 -5.442 11.054 1.00 0.00 N ATOM 348 CA LYS A 31 1.708 -6.713 11.620 1.00 0.00 C ATOM 349 C LYS A 31 2.446 -7.058 12.915 1.00 0.00 C ATOM 350 O LYS A 31 1.880 -7.699 13.802 1.00 0.00 O ATOM 351 CB LYS A 31 1.897 -7.845 10.610 1.00 0.00 C ATOM 352 CG LYS A 31 0.671 -8.727 10.446 1.00 0.00 C ATOM 353 CD LYS A 31 0.594 -9.794 11.529 1.00 0.00 C ATOM 354 CE LYS A 31 -0.826 -9.953 12.056 1.00 0.00 C ATOM 355 NZ LYS A 31 -1.064 -9.150 13.291 1.00 0.00 N ATOM 0 H LYS A 31 2.452 -5.499 10.075 1.00 0.00 H new ATOM 0 HA LYS A 31 0.649 -6.599 11.850 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.158 -7.417 9.642 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.739 -8.463 10.923 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.227 -8.111 10.478 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.695 -9.204 9.466 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.943 -10.746 11.129 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.260 -9.529 12.350 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.534 -9.648 11.285 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.017 -11.005 12.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.248 -9.789 14.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.224 -8.572 13.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.886 -8.529 13.148 1.00 0.00 H new ATOM 369 N GLU A 32 3.709 -6.633 13.017 1.00 0.00 N ATOM 370 CA GLU A 32 4.519 -6.898 14.207 1.00 0.00 C ATOM 371 C GLU A 32 3.850 -6.341 15.467 1.00 0.00 C ATOM 372 O GLU A 32 4.030 -6.878 16.560 1.00 0.00 O ATOM 373 CB GLU A 32 5.917 -6.294 14.048 1.00 0.00 C ATOM 374 CG GLU A 32 6.844 -7.121 13.167 1.00 0.00 C ATOM 375 CD GLU A 32 8.082 -6.356 12.732 1.00 0.00 C ATOM 376 OE1 GLU A 32 8.690 -5.669 13.582 1.00 0.00 O ATOM 377 OE2 GLU A 32 8.443 -6.444 11.539 1.00 0.00 O ATOM 0 H GLU A 32 4.191 -6.105 12.290 1.00 0.00 H new ATOM 0 HA GLU A 32 4.608 -7.979 14.315 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.825 -5.294 13.625 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.370 -6.183 15.033 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.148 -8.017 13.708 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.298 -7.452 12.283 1.00 0.00 H new ATOM 384 N HIS A 33 3.074 -5.265 15.309 1.00 0.00 N ATOM 385 CA HIS A 33 2.380 -4.647 16.438 1.00 0.00 C ATOM 386 C HIS A 33 0.953 -5.186 16.587 1.00 0.00 C ATOM 387 O HIS A 33 0.112 -4.555 17.228 1.00 0.00 O ATOM 388 CB HIS A 33 2.344 -3.126 16.267 1.00 0.00 C ATOM 389 CG HIS A 33 3.699 -2.504 16.101 1.00 0.00 C ATOM 390 ND1 HIS A 33 4.658 -2.516 17.092 1.00 0.00 N ATOM 391 CD2 HIS A 33 4.255 -1.850 15.051 1.00 0.00 C ATOM 392 CE1 HIS A 33 5.742 -1.897 16.662 1.00 0.00 C ATOM 393 NE2 HIS A 33 5.525 -1.485 15.427 1.00 0.00 N ATOM 0 H HIS A 33 2.912 -4.806 14.412 1.00 0.00 H new ATOM 0 HA HIS A 33 2.932 -4.899 17.343 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.733 -2.882 15.398 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.855 -2.683 17.135 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.787 -1.653 14.098 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.652 -1.752 17.225 1.00 0.00 H new ATOM 0 HE2 HIS A 33 6.192 -0.978 14.846 1.00 0.00 H new ATOM 402 N GLY A 34 0.682 -6.353 15.996 1.00 0.00 N ATOM 403 CA GLY A 34 -0.643 -6.944 16.083 1.00 0.00 C ATOM 404 C GLY A 34 -1.731 -6.064 15.487 1.00 0.00 C ATOM 405 O GLY A 34 -2.882 -6.119 15.919 1.00 0.00 O ATOM 0 H GLY A 34 1.358 -6.897 15.460 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.640 -7.905 15.569 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.877 -7.143 17.129 1.00 0.00 H new ATOM 409 N VAL A 35 -1.367 -5.250 14.493 1.00 0.00 N ATOM 410 CA VAL A 35 -2.324 -4.356 13.843 1.00 0.00 C ATOM 411 C VAL A 35 -1.991 -4.163 12.363 1.00 0.00 C ATOM 412 O VAL A 35 -0.822 -4.028 11.998 1.00 0.00 O ATOM 413 CB VAL A 35 -2.362 -2.970 14.524 1.00 0.00 C ATOM 414 CG1 VAL A 35 -3.064 -3.048 15.870 1.00 0.00 C ATOM 415 CG2 VAL A 35 -0.956 -2.407 14.681 1.00 0.00 C ATOM 0 H VAL A 35 -0.418 -5.193 14.123 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.301 -4.831 13.938 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.930 -2.294 13.884 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.078 -2.060 16.331 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.087 -3.397 15.727 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.531 -3.743 16.519 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.007 -1.431 15.163 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.360 -3.083 15.293 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.494 -2.304 13.699 1.00 0.00 H new ATOM 425 N PRO A 36 -3.018 -4.138 11.488 1.00 0.00 N ATOM 426 CA PRO A 36 -2.824 -3.948 10.042 1.00 0.00 C ATOM 427 C PRO A 36 -2.179 -2.600 9.717 1.00 0.00 C ATOM 428 O PRO A 36 -2.282 -1.650 10.496 1.00 0.00 O ATOM 429 CB PRO A 36 -4.248 -4.013 9.468 1.00 0.00 C ATOM 430 CG PRO A 36 -5.063 -4.680 10.524 1.00 0.00 C ATOM 431 CD PRO A 36 -4.442 -4.285 11.832 1.00 0.00 C ATOM 0 HA PRO A 36 -2.152 -4.697 9.623 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.630 -3.016 9.246 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.272 -4.578 8.536 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.104 -4.361 10.474 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.055 -5.763 10.399 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.863 -3.356 12.215 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.596 -5.045 12.598 1.00 0.00 H new ATOM 439 N ILE A 37 -1.514 -2.526 8.566 1.00 0.00 N ATOM 440 CA ILE A 37 -0.851 -1.296 8.141 1.00 0.00 C ATOM 441 C ILE A 37 -1.815 -0.398 7.364 1.00 0.00 C ATOM 442 O ILE A 37 -2.608 -0.879 6.552 1.00 0.00 O ATOM 443 CB ILE A 37 0.393 -1.595 7.269 1.00 0.00 C ATOM 444 CG1 ILE A 37 1.318 -2.594 7.974 1.00 0.00 C ATOM 445 CG2 ILE A 37 1.146 -0.309 6.952 1.00 0.00 C ATOM 446 CD1 ILE A 37 1.888 -3.649 7.050 1.00 0.00 C ATOM 0 H ILE A 37 -1.420 -3.303 7.912 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.526 -0.778 9.043 1.00 0.00 H new ATOM 0 HB ILE A 37 0.055 -2.038 6.332 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.139 -2.049 8.440 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.766 -3.085 8.775 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.017 -0.539 6.338 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.490 0.372 6.410 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.470 0.161 7.880 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.532 -4.320 7.618 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.074 -4.219 6.603 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.469 -3.168 6.263 1.00 0.00 H new ATOM 458 N LEU A 38 -1.747 0.910 7.625 1.00 0.00 N ATOM 459 CA LEU A 38 -2.620 1.877 6.957 1.00 0.00 C ATOM 460 C LEU A 38 -1.832 3.100 6.481 1.00 0.00 C ATOM 461 O LEU A 38 -0.764 3.409 7.015 1.00 0.00 O ATOM 462 CB LEU A 38 -3.747 2.321 7.900 1.00 0.00 C ATOM 463 CG LEU A 38 -4.379 1.205 8.740 1.00 0.00 C ATOM 464 CD1 LEU A 38 -3.655 1.063 10.070 1.00 0.00 C ATOM 465 CD2 LEU A 38 -5.861 1.475 8.965 1.00 0.00 C ATOM 0 H LEU A 38 -1.097 1.323 8.294 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.053 1.386 6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.355 3.082 8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.530 2.793 7.306 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.281 0.268 8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.117 0.266 10.653 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.608 0.820 9.890 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.720 2.001 10.622 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.291 0.671 9.563 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.983 2.423 9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.372 1.524 8.003 1.00 0.00 H new ATOM 477 N ILE A 39 -2.373 3.795 5.478 1.00 0.00 N ATOM 478 CA ILE A 39 -1.733 4.991 4.926 1.00 0.00 C ATOM 479 C ILE A 39 -2.151 6.240 5.698 1.00 0.00 C ATOM 480 O ILE A 39 -3.341 6.479 5.910 1.00 0.00 O ATOM 481 CB ILE A 39 -2.082 5.191 3.433 1.00 0.00 C ATOM 482 CG1 ILE A 39 -1.881 3.889 2.648 1.00 0.00 C ATOM 483 CG2 ILE A 39 -1.238 6.311 2.835 1.00 0.00 C ATOM 484 CD1 ILE A 39 -2.489 3.916 1.262 1.00 0.00 C ATOM 0 H ILE A 39 -3.256 3.549 5.030 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.658 4.841 5.021 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.133 5.472 3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.813 3.687 2.563 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.318 3.064 3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.496 6.439 1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.432 7.239 3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.182 6.056 2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.308 2.962 0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.563 4.086 1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.035 4.719 0.681 1.00 0.00 H new ATOM 496 N SER A 40 -1.164 7.033 6.115 1.00 0.00 N ATOM 497 CA SER A 40 -1.427 8.260 6.864 1.00 0.00 C ATOM 498 C SER A 40 -0.864 9.490 6.145 1.00 0.00 C ATOM 499 O SER A 40 -1.522 10.529 6.080 1.00 0.00 O ATOM 500 CB SER A 40 -0.831 8.157 8.270 1.00 0.00 C ATOM 501 OG SER A 40 -1.841 8.249 9.262 1.00 0.00 O ATOM 0 H SER A 40 -0.175 6.847 5.946 1.00 0.00 H new ATOM 0 HA SER A 40 -2.508 8.380 6.937 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.300 7.211 8.374 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.099 8.951 8.417 1.00 0.00 H new ATOM 0 HG SER A 40 -1.434 8.179 10.151 1.00 0.00 H new ATOM 507 N GLU A 41 0.354 9.371 5.614 1.00 0.00 N ATOM 508 CA GLU A 41 0.992 10.482 4.910 1.00 0.00 C ATOM 509 C GLU A 41 1.050 10.221 3.405 1.00 0.00 C ATOM 510 O GLU A 41 1.227 9.081 2.970 1.00 0.00 O ATOM 511 CB GLU A 41 2.404 10.711 5.452 1.00 0.00 C ATOM 512 CG GLU A 41 2.782 12.178 5.593 1.00 0.00 C ATOM 513 CD GLU A 41 4.283 12.390 5.590 1.00 0.00 C ATOM 514 OE1 GLU A 41 4.891 12.310 4.502 1.00 0.00 O ATOM 515 OE2 GLU A 41 4.852 12.627 6.675 1.00 0.00 O ATOM 0 H GLU A 41 0.915 8.520 5.658 1.00 0.00 H new ATOM 0 HA GLU A 41 0.392 11.376 5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.491 10.229 6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.120 10.224 4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.336 12.746 4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.364 12.571 6.520 1.00 0.00 H new ATOM 522 N ILE A 42 0.902 11.287 2.618 1.00 0.00 N ATOM 523 CA ILE A 42 0.937 11.185 1.160 1.00 0.00 C ATOM 524 C ILE A 42 1.814 12.287 0.560 1.00 0.00 C ATOM 525 O ILE A 42 1.694 13.455 0.934 1.00 0.00 O ATOM 526 CB ILE A 42 -0.483 11.282 0.550 1.00 0.00 C ATOM 527 CG1 ILE A 42 -1.438 10.305 1.247 1.00 0.00 C ATOM 528 CG2 ILE A 42 -0.444 11.011 -0.950 1.00 0.00 C ATOM 529 CD1 ILE A 42 -2.864 10.387 0.742 1.00 0.00 C ATOM 0 H ILE A 42 0.756 12.234 2.968 1.00 0.00 H new ATOM 0 HA ILE A 42 1.358 10.209 0.918 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.853 12.295 0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.070 9.289 1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.429 10.503 2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.452 11.084 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.199 11.745 -1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.051 10.010 -1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.482 9.668 1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.251 11.393 0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.886 10.159 -0.324 1.00 0.00 H new ATOM 541 N HIS A 43 2.694 11.910 -0.370 1.00 0.00 N ATOM 542 CA HIS A 43 3.586 12.870 -1.020 1.00 0.00 C ATOM 543 C HIS A 43 3.082 13.221 -2.419 1.00 0.00 C ATOM 544 O HIS A 43 3.202 12.416 -3.345 1.00 0.00 O ATOM 545 CB HIS A 43 5.011 12.311 -1.111 1.00 0.00 C ATOM 546 CG HIS A 43 5.649 12.063 0.220 1.00 0.00 C ATOM 547 ND1 HIS A 43 6.548 12.933 0.797 1.00 0.00 N ATOM 548 CD2 HIS A 43 5.509 11.038 1.093 1.00 0.00 C ATOM 549 CE1 HIS A 43 6.931 12.456 1.966 1.00 0.00 C ATOM 550 NE2 HIS A 43 6.313 11.307 2.175 1.00 0.00 N ATOM 0 H HIS A 43 2.807 10.948 -0.689 1.00 0.00 H new ATOM 0 HA HIS A 43 3.598 13.775 -0.413 1.00 0.00 H new ATOM 0 HB2 HIS A 43 4.990 11.377 -1.673 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.630 13.009 -1.676 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.881 10.169 0.963 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.632 12.926 2.639 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.415 10.718 3.001 1.00 0.00 H new ATOM 559 N PRO A 44 2.511 14.433 -2.595 1.00 0.00 N ATOM 560 CA PRO A 44 1.991 14.886 -3.895 1.00 0.00 C ATOM 561 C PRO A 44 3.046 14.832 -4.999 1.00 0.00 C ATOM 562 O PRO A 44 4.240 14.982 -4.737 1.00 0.00 O ATOM 563 CB PRO A 44 1.577 16.337 -3.633 1.00 0.00 C ATOM 564 CG PRO A 44 1.342 16.408 -2.165 1.00 0.00 C ATOM 565 CD PRO A 44 2.325 15.455 -1.546 1.00 0.00 C ATOM 0 HA PRO A 44 1.177 14.250 -4.244 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.357 17.033 -3.943 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.677 16.598 -4.190 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.493 17.422 -1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.318 16.128 -1.919 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.263 15.950 -1.296 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.938 15.020 -0.624 1.00 0.00 H new ATOM 573 N GLY A 45 2.594 14.612 -6.234 1.00 0.00 N ATOM 574 CA GLY A 45 3.509 14.535 -7.362 1.00 0.00 C ATOM 575 C GLY A 45 3.852 13.104 -7.741 1.00 0.00 C ATOM 576 O GLY A 45 4.102 12.810 -8.912 1.00 0.00 O ATOM 0 H GLY A 45 1.610 14.486 -6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.064 15.037 -8.221 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.426 15.072 -7.118 1.00 0.00 H new ATOM 580 N GLN A 46 3.859 12.213 -6.751 1.00 0.00 N ATOM 581 CA GLN A 46 4.167 10.806 -6.984 1.00 0.00 C ATOM 582 C GLN A 46 2.967 10.083 -7.603 1.00 0.00 C ATOM 583 O GLN A 46 1.855 10.616 -7.621 1.00 0.00 O ATOM 584 CB GLN A 46 4.571 10.134 -5.667 1.00 0.00 C ATOM 585 CG GLN A 46 6.073 9.935 -5.525 1.00 0.00 C ATOM 586 CD GLN A 46 6.688 10.820 -4.454 1.00 0.00 C ATOM 587 OE1 GLN A 46 7.383 10.340 -3.559 1.00 0.00 O ATOM 588 NE2 GLN A 46 6.435 12.122 -4.540 1.00 0.00 N ATOM 0 H GLN A 46 3.654 12.443 -5.779 1.00 0.00 H new ATOM 0 HA GLN A 46 5.000 10.745 -7.684 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.212 10.739 -4.834 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.075 9.166 -5.595 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.275 8.891 -5.286 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.554 10.142 -6.481 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.854 12.480 -5.298 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.822 12.764 -3.848 1.00 0.00 H new ATOM 597 N PRO A 47 3.174 8.851 -8.121 1.00 0.00 N ATOM 598 CA PRO A 47 2.099 8.058 -8.740 1.00 0.00 C ATOM 599 C PRO A 47 0.918 7.824 -7.797 1.00 0.00 C ATOM 600 O PRO A 47 -0.221 7.682 -8.244 1.00 0.00 O ATOM 601 CB PRO A 47 2.772 6.722 -9.087 1.00 0.00 C ATOM 602 CG PRO A 47 4.040 6.698 -8.301 1.00 0.00 C ATOM 603 CD PRO A 47 4.460 8.131 -8.146 1.00 0.00 C ATOM 0 HA PRO A 47 1.677 8.573 -9.603 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.131 5.880 -8.824 1.00 0.00 H new ATOM 0 HB3 PRO A 47 2.972 6.649 -10.156 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.887 6.229 -7.329 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.807 6.120 -8.816 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.029 8.288 -7.230 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.090 8.459 -8.973 1.00 0.00 H new ATOM 611 N ALA A 48 1.194 7.789 -6.492 1.00 0.00 N ATOM 612 CA ALA A 48 0.151 7.579 -5.493 1.00 0.00 C ATOM 613 C ALA A 48 -0.893 8.694 -5.549 1.00 0.00 C ATOM 614 O ALA A 48 -2.096 8.432 -5.538 1.00 0.00 O ATOM 615 CB ALA A 48 0.759 7.494 -4.102 1.00 0.00 C ATOM 0 H ALA A 48 2.131 7.904 -6.105 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.347 6.636 -5.717 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.032 7.337 -3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.461 6.661 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.284 8.422 -3.877 1.00 0.00 H new ATOM 621 N ASP A 49 -0.420 9.940 -5.619 1.00 0.00 N ATOM 622 CA ASP A 49 -1.310 11.099 -5.686 1.00 0.00 C ATOM 623 C ASP A 49 -2.022 11.157 -7.036 1.00 0.00 C ATOM 624 O ASP A 49 -3.208 11.483 -7.109 1.00 0.00 O ATOM 625 CB ASP A 49 -0.524 12.392 -5.450 1.00 0.00 C ATOM 626 CG ASP A 49 -1.331 13.431 -4.696 1.00 0.00 C ATOM 627 OD1 ASP A 49 -1.733 13.153 -3.545 1.00 0.00 O ATOM 628 OD2 ASP A 49 -1.560 14.524 -5.254 1.00 0.00 O ATOM 0 H ASP A 49 0.573 10.171 -5.631 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.061 10.996 -4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.384 12.165 -4.891 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.212 12.805 -6.410 1.00 0.00 H new ATOM 633 N ARG A 50 -1.290 10.830 -8.103 1.00 0.00 N ATOM 634 CA ARG A 50 -1.848 10.834 -9.454 1.00 0.00 C ATOM 635 C ARG A 50 -2.997 9.831 -9.587 1.00 0.00 C ATOM 636 O ARG A 50 -3.905 10.028 -10.395 1.00 0.00 O ATOM 637 CB ARG A 50 -0.760 10.504 -10.480 1.00 0.00 C ATOM 638 CG ARG A 50 -0.030 11.725 -11.015 1.00 0.00 C ATOM 639 CD ARG A 50 -0.815 12.399 -12.131 1.00 0.00 C ATOM 640 NE ARG A 50 -0.365 11.980 -13.461 1.00 0.00 N ATOM 641 CZ ARG A 50 -1.088 12.129 -14.575 1.00 0.00 C ATOM 642 NH1 ARG A 50 -2.293 12.691 -14.529 1.00 0.00 N ATOM 643 NH2 ARG A 50 -0.603 11.718 -15.742 1.00 0.00 N ATOM 0 H ARG A 50 -0.308 10.559 -8.056 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.239 11.833 -9.646 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.035 9.830 -10.023 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.212 9.968 -11.315 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.136 12.435 -10.205 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.952 11.430 -11.386 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.874 12.166 -12.019 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.715 13.481 -12.040 1.00 0.00 H new ATOM 0 HE ARG A 50 0.556 11.549 -13.541 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.672 13.012 -13.638 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.838 12.801 -15.384 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.321 11.289 -15.788 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.155 11.832 -16.592 1.00 0.00 H new ATOM 657 N CYS A 51 -2.950 8.755 -8.797 1.00 0.00 N ATOM 658 CA CYS A 51 -3.990 7.728 -8.840 1.00 0.00 C ATOM 659 C CYS A 51 -5.300 8.223 -8.219 1.00 0.00 C ATOM 660 O CYS A 51 -6.380 7.765 -8.597 1.00 0.00 O ATOM 661 CB CYS A 51 -3.517 6.465 -8.114 1.00 0.00 C ATOM 662 SG CYS A 51 -3.164 5.073 -9.211 1.00 0.00 S ATOM 0 H CYS A 51 -2.206 8.574 -8.123 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.180 7.496 -9.888 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.619 6.701 -7.544 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.280 6.164 -7.396 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.805 4.021 -8.797 1.00 0.00 H new ATOM 668 N GLY A 52 -5.204 9.155 -7.267 1.00 0.00 N ATOM 669 CA GLY A 52 -6.395 9.686 -6.620 1.00 0.00 C ATOM 670 C GLY A 52 -6.922 8.785 -5.511 1.00 0.00 C ATOM 671 O GLY A 52 -7.104 9.232 -4.377 1.00 0.00 O ATOM 0 H GLY A 52 -4.324 9.550 -6.934 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.169 10.669 -6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.176 9.827 -7.368 1.00 0.00 H new ATOM 675 N GLY A 53 -7.174 7.514 -5.843 1.00 0.00 N ATOM 676 CA GLY A 53 -7.690 6.558 -4.868 1.00 0.00 C ATOM 677 C GLY A 53 -6.894 6.523 -3.573 1.00 0.00 C ATOM 678 O GLY A 53 -7.465 6.320 -2.500 1.00 0.00 O ATOM 0 H GLY A 53 -7.029 7.129 -6.776 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.727 6.806 -4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.690 5.563 -5.312 1.00 0.00 H new ATOM 682 N LEU A 54 -5.578 6.720 -3.668 1.00 0.00 N ATOM 683 CA LEU A 54 -4.720 6.710 -2.486 1.00 0.00 C ATOM 684 C LEU A 54 -4.961 7.957 -1.636 1.00 0.00 C ATOM 685 O LEU A 54 -4.372 9.014 -1.874 1.00 0.00 O ATOM 686 CB LEU A 54 -3.245 6.609 -2.893 1.00 0.00 C ATOM 687 CG LEU A 54 -2.380 5.746 -1.971 1.00 0.00 C ATOM 688 CD1 LEU A 54 -1.133 5.263 -2.699 1.00 0.00 C ATOM 689 CD2 LEU A 54 -2.008 6.520 -0.714 1.00 0.00 C ATOM 0 H LEU A 54 -5.087 6.887 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.971 5.835 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.189 6.204 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.823 7.613 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.958 4.870 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.532 4.652 -2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.425 4.669 -3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.548 6.122 -3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.393 5.892 -0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.449 7.415 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.915 6.808 -0.182 1.00 0.00 H new ATOM 701 N HIS A 55 -5.850 7.821 -0.651 1.00 0.00 N ATOM 702 CA HIS A 55 -6.203 8.924 0.240 1.00 0.00 C ATOM 703 C HIS A 55 -5.761 8.643 1.676 1.00 0.00 C ATOM 704 O HIS A 55 -5.584 7.488 2.066 1.00 0.00 O ATOM 705 CB HIS A 55 -7.718 9.170 0.203 1.00 0.00 C ATOM 706 CG HIS A 55 -8.542 7.934 0.443 1.00 0.00 C ATOM 707 ND1 HIS A 55 -8.438 7.165 1.586 1.00 0.00 N ATOM 708 CD2 HIS A 55 -9.477 7.326 -0.328 1.00 0.00 C ATOM 709 CE1 HIS A 55 -9.270 6.144 1.505 1.00 0.00 C ATOM 710 NE2 HIS A 55 -9.911 6.216 0.355 1.00 0.00 N ATOM 0 H HIS A 55 -6.341 6.950 -0.450 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.681 9.815 -0.110 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.973 9.917 0.955 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.985 9.590 -0.767 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.817 7.654 -1.299 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.403 5.378 2.255 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.615 5.555 0.026 1.00 0.00 H new ATOM 719 N VAL A 56 -5.597 9.710 2.462 1.00 0.00 N ATOM 720 CA VAL A 56 -5.193 9.580 3.862 1.00 0.00 C ATOM 721 C VAL A 56 -6.235 8.780 4.647 1.00 0.00 C ATOM 722 O VAL A 56 -7.431 9.063 4.566 1.00 0.00 O ATOM 723 CB VAL A 56 -5.001 10.957 4.540 1.00 0.00 C ATOM 724 CG1 VAL A 56 -4.457 10.792 5.953 1.00 0.00 C ATOM 725 CG2 VAL A 56 -4.082 11.846 3.714 1.00 0.00 C ATOM 0 H VAL A 56 -5.738 10.672 2.152 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.237 9.056 3.869 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.976 11.440 4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.330 11.773 6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.157 10.203 6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.495 10.282 5.915 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.963 12.808 4.212 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.108 11.367 3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.516 12.000 2.726 1.00 0.00 H new ATOM 735 N GLY A 57 -5.772 7.779 5.395 1.00 0.00 N ATOM 736 CA GLY A 57 -6.675 6.946 6.175 1.00 0.00 C ATOM 737 C GLY A 57 -7.140 5.718 5.408 1.00 0.00 C ATOM 738 O GLY A 57 -8.326 5.385 5.418 1.00 0.00 O ATOM 0 H GLY A 57 -4.786 7.530 5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.174 6.631 7.091 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.542 7.535 6.472 1.00 0.00 H new ATOM 742 N ASP A 58 -6.200 5.044 4.741 1.00 0.00 N ATOM 743 CA ASP A 58 -6.507 3.846 3.962 1.00 0.00 C ATOM 744 C ASP A 58 -5.884 2.607 4.606 1.00 0.00 C ATOM 745 O ASP A 58 -4.667 2.549 4.794 1.00 0.00 O ATOM 746 CB ASP A 58 -5.994 4.006 2.524 1.00 0.00 C ATOM 747 CG ASP A 58 -7.097 3.919 1.482 1.00 0.00 C ATOM 748 OD1 ASP A 58 -8.086 3.188 1.713 1.00 0.00 O ATOM 749 OD2 ASP A 58 -6.969 4.581 0.430 1.00 0.00 O ATOM 0 H ASP A 58 -5.216 5.311 4.726 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.589 3.717 3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.489 4.967 2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.251 3.235 2.322 1.00 0.00 H new ATOM 754 N ALA A 59 -6.716 1.616 4.938 1.00 0.00 N ATOM 755 CA ALA A 59 -6.231 0.382 5.560 1.00 0.00 C ATOM 756 C ALA A 59 -5.898 -0.673 4.506 1.00 0.00 C ATOM 757 O ALA A 59 -6.752 -1.051 3.706 1.00 0.00 O ATOM 758 CB ALA A 59 -7.263 -0.163 6.539 1.00 0.00 C ATOM 0 H ALA A 59 -7.724 1.644 4.787 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.317 0.620 6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.886 -1.080 6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.451 0.576 7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.191 -0.375 6.008 1.00 0.00 H new ATOM 764 N ILE A 60 -4.650 -1.146 4.515 1.00 0.00 N ATOM 765 CA ILE A 60 -4.200 -2.159 3.559 1.00 0.00 C ATOM 766 C ILE A 60 -4.711 -3.549 3.937 1.00 0.00 C ATOM 767 O ILE A 60 -4.823 -3.881 5.118 1.00 0.00 O ATOM 768 CB ILE A 60 -2.658 -2.217 3.464 1.00 0.00 C ATOM 769 CG1 ILE A 60 -2.069 -0.826 3.207 1.00 0.00 C ATOM 770 CG2 ILE A 60 -2.231 -3.186 2.368 1.00 0.00 C ATOM 771 CD1 ILE A 60 -0.738 -0.600 3.893 1.00 0.00 C ATOM 0 H ILE A 60 -3.933 -0.843 5.174 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.610 -1.865 2.593 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.273 -2.575 4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.944 -0.685 2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.778 -0.071 3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.143 -3.216 2.313 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.611 -4.182 2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.634 -2.853 1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.379 0.404 3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.861 -0.709 4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.015 -1.333 3.534 1.00 0.00 H new ATOM 783 N LEU A 61 -5.003 -4.361 2.920 1.00 0.00 N ATOM 784 CA LEU A 61 -5.486 -5.724 3.135 1.00 0.00 C ATOM 785 C LEU A 61 -4.854 -6.698 2.135 1.00 0.00 C ATOM 786 O LEU A 61 -4.313 -7.733 2.530 1.00 0.00 O ATOM 787 CB LEU A 61 -7.014 -5.773 3.032 1.00 0.00 C ATOM 788 CG LEU A 61 -7.762 -5.386 4.314 1.00 0.00 C ATOM 789 CD1 LEU A 61 -9.001 -4.564 3.989 1.00 0.00 C ATOM 790 CD2 LEU A 61 -8.139 -6.628 5.111 1.00 0.00 C ATOM 0 H LEU A 61 -4.913 -4.097 1.939 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.191 -6.030 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.331 -5.107 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.312 -6.782 2.746 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.097 -4.774 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.516 -4.301 4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.707 -3.654 3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.669 -5.148 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.669 -6.332 6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.783 -7.267 4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.236 -7.175 5.381 1.00 0.00 H new ATOM 802 N ALA A 62 -4.926 -6.366 0.841 1.00 0.00 N ATOM 803 CA ALA A 62 -4.359 -7.221 -0.203 1.00 0.00 C ATOM 804 C ALA A 62 -3.398 -6.451 -1.111 1.00 0.00 C ATOM 805 O ALA A 62 -3.596 -5.264 -1.384 1.00 0.00 O ATOM 806 CB ALA A 62 -5.473 -7.855 -1.026 1.00 0.00 C ATOM 0 H ALA A 62 -5.369 -5.515 0.495 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.785 -8.006 0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.039 -8.489 -1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.107 -8.458 -0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.072 -7.072 -1.492 1.00 0.00 H new ATOM 812 N VAL A 63 -2.358 -7.146 -1.577 1.00 0.00 N ATOM 813 CA VAL A 63 -1.356 -6.554 -2.461 1.00 0.00 C ATOM 814 C VAL A 63 -1.029 -7.508 -3.608 1.00 0.00 C ATOM 815 O VAL A 63 -0.511 -8.604 -3.382 1.00 0.00 O ATOM 816 CB VAL A 63 -0.056 -6.218 -1.698 1.00 0.00 C ATOM 817 CG1 VAL A 63 0.893 -5.413 -2.577 1.00 0.00 C ATOM 818 CG2 VAL A 63 -0.372 -5.470 -0.410 1.00 0.00 C ATOM 0 H VAL A 63 -2.189 -8.127 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.777 -5.630 -2.857 1.00 0.00 H new ATOM 0 HB VAL A 63 0.441 -7.152 -1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.802 -5.187 -2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.146 -5.992 -3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.411 -4.483 -2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.556 -5.241 0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.893 -4.542 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.005 -6.090 0.225 1.00 0.00 H new ATOM 828 N ASN A 64 -1.348 -7.089 -4.834 1.00 0.00 N ATOM 829 CA ASN A 64 -1.107 -7.906 -6.025 1.00 0.00 C ATOM 830 C ASN A 64 -1.759 -9.288 -5.876 1.00 0.00 C ATOM 831 O ASN A 64 -1.223 -10.295 -6.343 1.00 0.00 O ATOM 832 CB ASN A 64 0.400 -8.048 -6.292 1.00 0.00 C ATOM 833 CG ASN A 64 0.712 -8.245 -7.769 1.00 0.00 C ATOM 834 OD1 ASN A 64 0.438 -9.303 -8.336 1.00 0.00 O ATOM 835 ND2 ASN A 64 1.292 -7.227 -8.403 1.00 0.00 N ATOM 0 H ASN A 64 -1.776 -6.184 -5.029 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.560 -7.402 -6.879 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.916 -7.159 -5.930 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.788 -8.894 -5.725 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.525 -7.309 -9.393 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.503 -6.366 -7.899 1.00 0.00 H new ATOM 842 N GLY A 65 -2.924 -9.327 -5.217 1.00 0.00 N ATOM 843 CA GLY A 65 -3.631 -10.584 -5.018 1.00 0.00 C ATOM 844 C GLY A 65 -3.236 -11.315 -3.735 1.00 0.00 C ATOM 845 O GLY A 65 -3.972 -12.188 -3.269 1.00 0.00 O ATOM 0 H GLY A 65 -3.387 -8.510 -4.819 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.703 -10.388 -4.999 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.441 -11.236 -5.870 1.00 0.00 H new ATOM 849 N VAL A 66 -2.080 -10.968 -3.163 1.00 0.00 N ATOM 850 CA VAL A 66 -1.607 -11.608 -1.937 1.00 0.00 C ATOM 851 C VAL A 66 -1.957 -10.769 -0.710 1.00 0.00 C ATOM 852 O VAL A 66 -1.657 -9.575 -0.658 1.00 0.00 O ATOM 853 CB VAL A 66 -0.081 -11.842 -1.974 1.00 0.00 C ATOM 854 CG1 VAL A 66 0.368 -12.681 -0.786 1.00 0.00 C ATOM 855 CG2 VAL A 66 0.328 -12.503 -3.284 1.00 0.00 C ATOM 0 H VAL A 66 -1.457 -10.249 -3.530 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.110 -12.573 -1.869 1.00 0.00 H new ATOM 0 HB VAL A 66 0.413 -10.872 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.446 -12.832 -0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.115 -12.165 0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.135 -13.647 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.407 -12.660 -3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.179 -13.463 -3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.049 -11.860 -4.119 1.00 0.00 H new ATOM 865 N ASN A 67 -2.592 -11.404 0.276 1.00 0.00 N ATOM 866 CA ASN A 67 -2.985 -10.719 1.506 1.00 0.00 C ATOM 867 C ASN A 67 -1.761 -10.323 2.328 1.00 0.00 C ATOM 868 O ASN A 67 -0.807 -11.092 2.446 1.00 0.00 O ATOM 869 CB ASN A 67 -3.918 -11.602 2.349 1.00 0.00 C ATOM 870 CG ASN A 67 -3.312 -12.955 2.685 1.00 0.00 C ATOM 871 OD1 ASN A 67 -3.431 -13.908 1.915 1.00 0.00 O ATOM 872 ND2 ASN A 67 -2.659 -13.044 3.839 1.00 0.00 N ATOM 0 H ASN A 67 -2.845 -12.392 0.246 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.521 -9.813 1.222 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.165 -11.081 3.274 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.853 -11.753 1.809 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.232 -13.928 4.117 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.585 -12.228 4.447 1.00 0.00 H new ATOM 879 N LEU A 68 -1.801 -9.121 2.898 1.00 0.00 N ATOM 880 CA LEU A 68 -0.699 -8.619 3.718 1.00 0.00 C ATOM 881 C LEU A 68 -1.082 -8.575 5.204 1.00 0.00 C ATOM 882 O LEU A 68 -0.381 -7.962 6.012 1.00 0.00 O ATOM 883 CB LEU A 68 -0.283 -7.223 3.241 1.00 0.00 C ATOM 884 CG LEU A 68 1.219 -6.928 3.304 1.00 0.00 C ATOM 885 CD1 LEU A 68 1.979 -7.772 2.288 1.00 0.00 C ATOM 886 CD2 LEU A 68 1.477 -5.446 3.070 1.00 0.00 C ATOM 0 H LEU A 68 -2.585 -8.475 2.807 1.00 0.00 H new ATOM 0 HA LEU A 68 0.142 -9.304 3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.619 -7.094 2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.807 -6.481 3.843 1.00 0.00 H new ATOM 0 HG LEU A 68 1.579 -7.190 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.043 -7.546 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.819 -8.829 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.618 -7.546 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.548 -5.251 3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.100 -5.162 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.968 -4.862 3.837 1.00 0.00 H new ATOM 898 N ARG A 69 -2.195 -9.228 5.561 1.00 0.00 N ATOM 899 CA ARG A 69 -2.658 -9.257 6.949 1.00 0.00 C ATOM 900 C ARG A 69 -1.752 -10.125 7.822 1.00 0.00 C ATOM 901 O ARG A 69 -1.590 -9.857 9.012 1.00 0.00 O ATOM 902 CB ARG A 69 -4.097 -9.774 7.024 1.00 0.00 C ATOM 903 CG ARG A 69 -4.765 -9.523 8.369 1.00 0.00 C ATOM 904 CD ARG A 69 -5.936 -10.466 8.598 1.00 0.00 C ATOM 905 NE ARG A 69 -5.497 -11.808 8.982 1.00 0.00 N ATOM 906 CZ ARG A 69 -5.123 -12.151 10.220 1.00 0.00 C ATOM 907 NH1 ARG A 69 -5.118 -11.247 11.199 1.00 0.00 N ATOM 908 NH2 ARG A 69 -4.747 -13.399 10.477 1.00 0.00 N ATOM 0 H ARG A 69 -2.788 -9.741 4.909 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.622 -8.235 7.328 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.687 -9.298 6.240 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.101 -10.845 6.820 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.034 -9.649 9.168 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.114 -8.491 8.416 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.581 -10.060 9.377 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.534 -10.527 7.689 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.475 -12.528 8.260 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.401 -10.286 11.007 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.832 -11.516 12.140 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.744 -14.095 9.731 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.462 -13.662 11.420 1.00 0.00 H new ATOM 922 N ASP A 70 -1.170 -11.168 7.227 1.00 0.00 N ATOM 923 CA ASP A 70 -0.284 -12.071 7.961 1.00 0.00 C ATOM 924 C ASP A 70 1.194 -11.786 7.660 1.00 0.00 C ATOM 925 O ASP A 70 2.070 -12.567 8.038 1.00 0.00 O ATOM 926 CB ASP A 70 -0.618 -13.530 7.627 1.00 0.00 C ATOM 927 CG ASP A 70 -0.464 -14.450 8.824 1.00 0.00 C ATOM 928 OD1 ASP A 70 -0.943 -14.088 9.921 1.00 0.00 O ATOM 929 OD2 ASP A 70 0.138 -15.533 8.665 1.00 0.00 O ATOM 0 H ASP A 70 -1.296 -11.407 6.243 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.446 -11.899 9.025 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.641 -13.589 7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.033 -13.873 6.823 1.00 0.00 H new ATOM 934 N THR A 71 1.468 -10.664 6.988 1.00 0.00 N ATOM 935 CA THR A 71 2.836 -10.281 6.647 1.00 0.00 C ATOM 936 C THR A 71 3.286 -9.096 7.500 1.00 0.00 C ATOM 937 O THR A 71 2.555 -8.115 7.641 1.00 0.00 O ATOM 938 CB THR A 71 2.937 -9.926 5.157 1.00 0.00 C ATOM 939 OG1 THR A 71 1.867 -10.498 4.420 1.00 0.00 O ATOM 940 CG2 THR A 71 4.227 -10.386 4.519 1.00 0.00 C ATOM 0 H THR A 71 0.757 -10.005 6.670 1.00 0.00 H new ATOM 0 HA THR A 71 3.491 -11.128 6.851 1.00 0.00 H new ATOM 0 HB THR A 71 2.897 -8.837 5.123 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.202 -10.830 3.561 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.233 -10.103 3.466 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.071 -9.918 5.026 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.309 -11.470 4.604 1.00 0.00 H new ATOM 948 N LYS A 72 4.489 -9.198 8.069 1.00 0.00 N ATOM 949 CA LYS A 72 5.040 -8.137 8.916 1.00 0.00 C ATOM 950 C LYS A 72 5.277 -6.857 8.113 1.00 0.00 C ATOM 951 O LYS A 72 5.393 -6.901 6.889 1.00 0.00 O ATOM 952 CB LYS A 72 6.349 -8.602 9.562 1.00 0.00 C ATOM 953 CG LYS A 72 6.150 -9.527 10.754 1.00 0.00 C ATOM 954 CD LYS A 72 5.624 -10.891 10.328 1.00 0.00 C ATOM 955 CE LYS A 72 5.612 -11.875 11.489 1.00 0.00 C ATOM 956 NZ LYS A 72 4.371 -11.762 12.308 1.00 0.00 N ATOM 0 H LYS A 72 5.102 -10.006 7.958 1.00 0.00 H new ATOM 0 HA LYS A 72 4.313 -7.918 9.698 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.951 -9.115 8.812 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.916 -7.728 9.883 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.096 -9.650 11.281 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.452 -9.071 11.456 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.615 -10.784 9.930 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.244 -11.285 9.523 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.700 -12.891 11.104 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.481 -11.698 12.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.405 -12.450 13.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.299 -10.801 12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.542 -11.956 11.711 1.00 0.00 H new ATOM 970 N HIS A 73 5.346 -5.718 8.811 1.00 0.00 N ATOM 971 CA HIS A 73 5.568 -4.423 8.158 1.00 0.00 C ATOM 972 C HIS A 73 6.854 -4.433 7.331 1.00 0.00 C ATOM 973 O HIS A 73 6.846 -4.060 6.157 1.00 0.00 O ATOM 974 CB HIS A 73 5.624 -3.296 9.196 1.00 0.00 C ATOM 975 CG HIS A 73 5.251 -1.945 8.655 1.00 0.00 C ATOM 976 ND1 HIS A 73 4.539 -1.758 7.485 1.00 0.00 N ATOM 977 CD2 HIS A 73 5.493 -0.705 9.142 1.00 0.00 C ATOM 978 CE1 HIS A 73 4.362 -0.465 7.281 1.00 0.00 C ATOM 979 NE2 HIS A 73 4.931 0.194 8.271 1.00 0.00 N ATOM 0 H HIS A 73 5.252 -5.666 9.825 1.00 0.00 H new ATOM 0 HA HIS A 73 4.728 -4.245 7.486 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.955 -3.543 10.021 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.632 -3.245 9.607 1.00 0.00 H new ATOM 0 HD2 HIS A 73 6.029 -0.467 10.049 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.840 -0.023 6.445 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.950 1.209 8.373 1.00 0.00 H new ATOM 988 N LYS A 74 7.955 -4.871 7.947 1.00 0.00 N ATOM 989 CA LYS A 74 9.246 -4.940 7.261 1.00 0.00 C ATOM 990 C LYS A 74 9.171 -5.900 6.073 1.00 0.00 C ATOM 991 O LYS A 74 9.734 -5.632 5.010 1.00 0.00 O ATOM 992 CB LYS A 74 10.345 -5.391 8.230 1.00 0.00 C ATOM 993 CG LYS A 74 11.733 -4.890 7.859 1.00 0.00 C ATOM 994 CD LYS A 74 12.796 -5.455 8.790 1.00 0.00 C ATOM 995 CE LYS A 74 14.158 -5.524 8.111 1.00 0.00 C ATOM 996 NZ LYS A 74 15.053 -4.410 8.535 1.00 0.00 N ATOM 0 H LYS A 74 7.978 -5.183 8.918 1.00 0.00 H new ATOM 0 HA LYS A 74 9.490 -3.944 6.892 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.099 -5.041 9.233 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.360 -6.480 8.267 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.960 -5.173 6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.752 -3.801 7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.865 -4.834 9.683 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.501 -6.452 9.117 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.631 -6.478 8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.026 -5.491 7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.968 -4.496 8.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.615 -3.500 8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.201 -4.456 9.563 1.00 0.00 H new ATOM 1010 N GLU A 75 8.461 -7.013 6.263 1.00 0.00 N ATOM 1011 CA GLU A 75 8.295 -8.011 5.210 1.00 0.00 C ATOM 1012 C GLU A 75 7.508 -7.433 4.031 1.00 0.00 C ATOM 1013 O GLU A 75 7.805 -7.726 2.872 1.00 0.00 O ATOM 1014 CB GLU A 75 7.575 -9.244 5.761 1.00 0.00 C ATOM 1015 CG GLU A 75 7.734 -10.485 4.896 1.00 0.00 C ATOM 1016 CD GLU A 75 9.084 -11.157 5.067 1.00 0.00 C ATOM 1017 OE1 GLU A 75 9.528 -11.321 6.224 1.00 0.00 O ATOM 1018 OE2 GLU A 75 9.697 -11.523 4.042 1.00 0.00 O ATOM 0 H GLU A 75 7.992 -7.245 7.138 1.00 0.00 H new ATOM 0 HA GLU A 75 9.284 -8.301 4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.954 -9.458 6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.514 -9.018 5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.946 -11.197 5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.600 -10.211 3.849 1.00 0.00 H new ATOM 1025 N ALA A 76 6.505 -6.608 4.342 1.00 0.00 N ATOM 1026 CA ALA A 76 5.668 -5.984 3.318 1.00 0.00 C ATOM 1027 C ALA A 76 6.479 -5.041 2.431 1.00 0.00 C ATOM 1028 O ALA A 76 6.223 -4.938 1.231 1.00 0.00 O ATOM 1029 CB ALA A 76 4.513 -5.231 3.963 1.00 0.00 C ATOM 0 H ALA A 76 6.254 -6.357 5.298 1.00 0.00 H new ATOM 0 HA ALA A 76 5.269 -6.779 2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.900 -4.772 3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.905 -5.925 4.543 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.906 -4.456 4.621 1.00 0.00 H new ATOM 1035 N VAL A 77 7.460 -4.361 3.027 1.00 0.00 N ATOM 1036 CA VAL A 77 8.312 -3.433 2.284 1.00 0.00 C ATOM 1037 C VAL A 77 9.090 -4.170 1.196 1.00 0.00 C ATOM 1038 O VAL A 77 9.258 -3.661 0.087 1.00 0.00 O ATOM 1039 CB VAL A 77 9.308 -2.701 3.215 1.00 0.00 C ATOM 1040 CG1 VAL A 77 10.057 -1.616 2.452 1.00 0.00 C ATOM 1041 CG2 VAL A 77 8.583 -2.114 4.419 1.00 0.00 C ATOM 0 H VAL A 77 7.683 -4.436 4.019 1.00 0.00 H new ATOM 0 HA VAL A 77 7.656 -2.692 1.827 1.00 0.00 H new ATOM 0 HB VAL A 77 10.037 -3.426 3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.752 -1.113 3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.610 -2.067 1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.345 -0.891 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.300 -1.603 5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.830 -1.403 4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.100 -2.915 4.979 1.00 0.00 H new ATOM 1051 N THR A 78 9.550 -5.377 1.520 1.00 0.00 N ATOM 1052 CA THR A 78 10.298 -6.195 0.572 1.00 0.00 C ATOM 1053 C THR A 78 9.413 -6.597 -0.609 1.00 0.00 C ATOM 1054 O THR A 78 9.808 -6.449 -1.767 1.00 0.00 O ATOM 1055 CB THR A 78 10.851 -7.443 1.267 1.00 0.00 C ATOM 1056 OG1 THR A 78 11.614 -7.084 2.407 1.00 0.00 O ATOM 1057 CG2 THR A 78 11.730 -8.291 0.372 1.00 0.00 C ATOM 0 H THR A 78 9.417 -5.809 2.434 1.00 0.00 H new ATOM 0 HA THR A 78 11.132 -5.605 0.193 1.00 0.00 H new ATOM 0 HB THR A 78 9.976 -8.030 1.545 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.958 -7.894 2.839 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.087 -9.158 0.928 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.155 -8.626 -0.491 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.582 -7.701 0.034 1.00 0.00 H new ATOM 1065 N ILE A 79 8.213 -7.098 -0.306 1.00 0.00 N ATOM 1066 CA ILE A 79 7.269 -7.512 -1.345 1.00 0.00 C ATOM 1067 C ILE A 79 6.867 -6.325 -2.216 1.00 0.00 C ATOM 1068 O ILE A 79 6.797 -6.440 -3.439 1.00 0.00 O ATOM 1069 CB ILE A 79 5.995 -8.156 -0.749 1.00 0.00 C ATOM 1070 CG1 ILE A 79 6.360 -9.291 0.213 1.00 0.00 C ATOM 1071 CG2 ILE A 79 5.087 -8.670 -1.862 1.00 0.00 C ATOM 1072 CD1 ILE A 79 5.411 -9.418 1.384 1.00 0.00 C ATOM 0 H ILE A 79 7.874 -7.226 0.647 1.00 0.00 H new ATOM 0 HA ILE A 79 7.781 -8.258 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 79 5.457 -7.393 -0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.374 -10.232 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.370 -9.127 0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.195 -9.120 -1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.796 -7.841 -2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.620 -9.417 -2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.730 -10.241 2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.414 -8.491 1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.404 -9.614 1.016 1.00 0.00 H new ATOM 1084 N LEU A 80 6.612 -5.183 -1.576 1.00 0.00 N ATOM 1085 CA LEU A 80 6.227 -3.970 -2.292 1.00 0.00 C ATOM 1086 C LEU A 80 7.286 -3.589 -3.325 1.00 0.00 C ATOM 1087 O LEU A 80 6.956 -3.168 -4.434 1.00 0.00 O ATOM 1088 CB LEU A 80 6.014 -2.814 -1.312 1.00 0.00 C ATOM 1089 CG LEU A 80 4.652 -2.795 -0.615 1.00 0.00 C ATOM 1090 CD1 LEU A 80 4.755 -2.096 0.732 1.00 0.00 C ATOM 1091 CD2 LEU A 80 3.615 -2.117 -1.499 1.00 0.00 C ATOM 0 H LEU A 80 6.666 -5.074 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 80 5.290 -4.169 -2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.793 -2.855 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.143 -1.874 -1.849 1.00 0.00 H new ATOM 0 HG LEU A 80 4.334 -3.823 -0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.778 -2.091 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.469 -2.625 1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.092 -1.070 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.651 -2.111 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.925 -1.092 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.526 -2.662 -2.439 1.00 0.00 H new ATOM 1103 N SER A 81 8.560 -3.747 -2.958 1.00 0.00 N ATOM 1104 CA SER A 81 9.663 -3.427 -3.862 1.00 0.00 C ATOM 1105 C SER A 81 9.683 -4.379 -5.061 1.00 0.00 C ATOM 1106 O SER A 81 10.053 -3.984 -6.166 1.00 0.00 O ATOM 1107 CB SER A 81 11.004 -3.485 -3.125 1.00 0.00 C ATOM 1108 OG SER A 81 11.852 -2.425 -3.534 1.00 0.00 O ATOM 0 H SER A 81 8.851 -4.094 -2.044 1.00 0.00 H new ATOM 0 HA SER A 81 9.508 -2.412 -4.228 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.835 -3.427 -2.050 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.490 -4.441 -3.320 1.00 0.00 H new ATOM 0 HG SER A 81 12.702 -2.481 -3.049 1.00 0.00 H new ATOM 1114 N GLN A 82 9.274 -5.632 -4.835 1.00 0.00 N ATOM 1115 CA GLN A 82 9.236 -6.638 -5.900 1.00 0.00 C ATOM 1116 C GLN A 82 8.205 -6.274 -6.974 1.00 0.00 C ATOM 1117 O GLN A 82 8.352 -6.655 -8.137 1.00 0.00 O ATOM 1118 CB GLN A 82 8.914 -8.024 -5.323 1.00 0.00 C ATOM 1119 CG GLN A 82 9.809 -8.433 -4.161 1.00 0.00 C ATOM 1120 CD GLN A 82 10.743 -9.575 -4.515 1.00 0.00 C ATOM 1121 OE1 GLN A 82 10.300 -10.669 -4.865 1.00 0.00 O ATOM 1122 NE2 GLN A 82 12.046 -9.328 -4.425 1.00 0.00 N ATOM 0 H GLN A 82 8.965 -5.973 -3.925 1.00 0.00 H new ATOM 0 HA GLN A 82 10.223 -6.663 -6.363 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.876 -8.036 -4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 82 9.003 -8.766 -6.116 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.398 -7.573 -3.841 1.00 0.00 H new ATOM 0 HG3 GLN A 82 9.188 -8.726 -3.315 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.371 -8.407 -4.131 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.720 -10.059 -4.650 1.00 0.00 H new ATOM 1131 N GLN A 83 7.162 -5.538 -6.578 1.00 0.00 N ATOM 1132 CA GLN A 83 6.107 -5.125 -7.506 1.00 0.00 C ATOM 1133 C GLN A 83 6.675 -4.253 -8.627 1.00 0.00 C ATOM 1134 O GLN A 83 7.153 -3.142 -8.382 1.00 0.00 O ATOM 1135 CB GLN A 83 5.001 -4.366 -6.761 1.00 0.00 C ATOM 1136 CG GLN A 83 4.520 -5.052 -5.487 1.00 0.00 C ATOM 1137 CD GLN A 83 4.108 -6.494 -5.713 1.00 0.00 C ATOM 1138 OE1 GLN A 83 3.199 -6.774 -6.489 1.00 0.00 O ATOM 1139 NE2 GLN A 83 4.778 -7.420 -5.034 1.00 0.00 N ATOM 0 H GLN A 83 7.026 -5.216 -5.620 1.00 0.00 H new ATOM 0 HA GLN A 83 5.681 -6.025 -7.950 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.366 -3.370 -6.508 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.152 -4.234 -7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.314 -5.019 -4.741 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.675 -4.498 -5.079 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.527 -7.144 -4.399 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.543 -8.406 -5.148 1.00 0.00 H new ATOM 1148 N ARG A 84 6.628 -4.771 -9.856 1.00 0.00 N ATOM 1149 CA ARG A 84 7.147 -4.053 -11.019 1.00 0.00 C ATOM 1150 C ARG A 84 6.052 -3.803 -12.056 1.00 0.00 C ATOM 1151 O ARG A 84 5.165 -4.637 -12.249 1.00 0.00 O ATOM 1152 CB ARG A 84 8.286 -4.852 -11.655 1.00 0.00 C ATOM 1153 CG ARG A 84 9.171 -4.030 -12.584 1.00 0.00 C ATOM 1154 CD ARG A 84 9.872 -4.906 -13.615 1.00 0.00 C ATOM 1155 NE ARG A 84 9.830 -4.319 -14.955 1.00 0.00 N ATOM 1156 CZ ARG A 84 8.760 -4.355 -15.757 1.00 0.00 C ATOM 1157 NH1 ARG A 84 7.629 -4.927 -15.348 1.00 0.00 N ATOM 1158 NH2 ARG A 84 8.820 -3.811 -16.969 1.00 0.00 N ATOM 0 H ARG A 84 6.235 -5.687 -10.071 1.00 0.00 H new ATOM 0 HA ARG A 84 7.519 -3.086 -10.679 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.903 -5.279 -10.864 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.863 -5.686 -12.215 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.566 -3.281 -13.094 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.915 -3.493 -11.996 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.910 -5.056 -13.317 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.401 -5.889 -13.635 1.00 0.00 H new ATOM 0 HE ARG A 84 10.670 -3.853 -15.299 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.575 -5.341 -14.418 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.817 -4.951 -15.965 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.682 -3.367 -17.287 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.005 -3.838 -17.581 1.00 0.00 H new ATOM 1172 N GLY A 85 6.130 -2.651 -12.727 1.00 0.00 N ATOM 1173 CA GLY A 85 5.148 -2.308 -13.743 1.00 0.00 C ATOM 1174 C GLY A 85 3.766 -2.083 -13.162 1.00 0.00 C ATOM 1175 O GLY A 85 3.510 -1.050 -12.538 1.00 0.00 O ATOM 0 H GLY A 85 6.857 -1.950 -12.583 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.470 -1.407 -14.266 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.102 -3.107 -14.483 1.00 0.00 H new ATOM 1179 N GLU A 86 2.880 -3.058 -13.360 1.00 0.00 N ATOM 1180 CA GLU A 86 1.519 -2.971 -12.845 1.00 0.00 C ATOM 1181 C GLU A 86 1.453 -3.522 -11.425 1.00 0.00 C ATOM 1182 O GLU A 86 1.807 -4.677 -11.180 1.00 0.00 O ATOM 1183 CB GLU A 86 0.547 -3.734 -13.748 1.00 0.00 C ATOM 1184 CG GLU A 86 -0.914 -3.400 -13.483 1.00 0.00 C ATOM 1185 CD GLU A 86 -1.848 -3.911 -14.566 1.00 0.00 C ATOM 1186 OE1 GLU A 86 -1.519 -3.753 -15.761 1.00 0.00 O ATOM 1187 OE2 GLU A 86 -2.911 -4.467 -14.217 1.00 0.00 O ATOM 0 H GLU A 86 3.082 -3.916 -13.873 1.00 0.00 H new ATOM 0 HA GLU A 86 1.228 -1.921 -12.831 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.780 -3.512 -14.789 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.698 -4.805 -13.609 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.210 -3.827 -12.525 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.024 -2.319 -13.397 1.00 0.00 H new ATOM 1194 N ILE A 87 1.004 -2.686 -10.495 1.00 0.00 N ATOM 1195 CA ILE A 87 0.894 -3.083 -9.097 1.00 0.00 C ATOM 1196 C ILE A 87 -0.541 -2.931 -8.597 1.00 0.00 C ATOM 1197 O ILE A 87 -1.136 -1.857 -8.705 1.00 0.00 O ATOM 1198 CB ILE A 87 1.840 -2.254 -8.200 1.00 0.00 C ATOM 1199 CG1 ILE A 87 3.225 -2.136 -8.849 1.00 0.00 C ATOM 1200 CG2 ILE A 87 1.945 -2.884 -6.818 1.00 0.00 C ATOM 1201 CD1 ILE A 87 4.197 -1.287 -8.057 1.00 0.00 C ATOM 0 H ILE A 87 0.710 -1.728 -10.685 1.00 0.00 H new ATOM 0 HA ILE A 87 1.185 -4.132 -9.038 1.00 0.00 H new ATOM 0 HB ILE A 87 1.427 -1.251 -8.090 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.645 -3.134 -8.973 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.114 -1.711 -9.847 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.615 -2.289 -6.197 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.958 -2.918 -6.358 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.338 -3.897 -6.909 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.154 -1.249 -8.577 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.799 -0.277 -7.955 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.338 -1.723 -7.068 1.00 0.00 H new ATOM 1213 N GLU A 88 -1.091 -4.015 -8.051 1.00 0.00 N ATOM 1214 CA GLU A 88 -2.456 -4.006 -7.535 1.00 0.00 C ATOM 1215 C GLU A 88 -2.471 -3.696 -6.040 1.00 0.00 C ATOM 1216 O GLU A 88 -1.768 -4.337 -5.257 1.00 0.00 O ATOM 1217 CB GLU A 88 -3.131 -5.355 -7.794 1.00 0.00 C ATOM 1218 CG GLU A 88 -4.635 -5.256 -7.994 1.00 0.00 C ATOM 1219 CD GLU A 88 -5.403 -6.297 -7.200 1.00 0.00 C ATOM 1220 OE1 GLU A 88 -5.171 -7.505 -7.421 1.00 0.00 O ATOM 1221 OE2 GLU A 88 -6.238 -5.904 -6.358 1.00 0.00 O ATOM 0 H GLU A 88 -0.611 -4.910 -7.955 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.009 -3.225 -8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.685 -5.811 -8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.928 -6.020 -6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.971 -4.261 -7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.865 -5.371 -9.053 1.00 0.00 H new ATOM 1228 N PHE A 89 -3.276 -2.707 -5.654 1.00 0.00 N ATOM 1229 CA PHE A 89 -3.386 -2.303 -4.255 1.00 0.00 C ATOM 1230 C PHE A 89 -4.828 -2.415 -3.762 1.00 0.00 C ATOM 1231 O PHE A 89 -5.753 -1.906 -4.399 1.00 0.00 O ATOM 1232 CB PHE A 89 -2.891 -0.864 -4.083 1.00 0.00 C ATOM 1233 CG PHE A 89 -1.605 -0.752 -3.311 1.00 0.00 C ATOM 1234 CD1 PHE A 89 -1.601 -0.848 -1.928 1.00 0.00 C ATOM 1235 CD2 PHE A 89 -0.402 -0.546 -3.968 1.00 0.00 C ATOM 1236 CE1 PHE A 89 -0.422 -0.740 -1.216 1.00 0.00 C ATOM 1237 CE2 PHE A 89 0.780 -0.438 -3.260 1.00 0.00 C ATOM 1238 CZ PHE A 89 0.770 -0.535 -1.882 1.00 0.00 C ATOM 0 H PHE A 89 -3.862 -2.170 -6.293 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.766 -2.974 -3.660 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.753 -0.417 -5.068 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.661 -0.283 -3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.530 -1.009 -1.401 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.388 -0.469 -5.045 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.433 -0.816 -0.139 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.711 -0.278 -3.784 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.693 -0.451 -1.327 1.00 0.00 H new ATOM 1248 N GLU A 90 -5.012 -3.073 -2.619 1.00 0.00 N ATOM 1249 CA GLU A 90 -6.338 -3.241 -2.036 1.00 0.00 C ATOM 1250 C GLU A 90 -6.387 -2.622 -0.641 1.00 0.00 C ATOM 1251 O GLU A 90 -5.691 -3.071 0.274 1.00 0.00 O ATOM 1252 CB GLU A 90 -6.708 -4.724 -1.975 1.00 0.00 C ATOM 1253 CG GLU A 90 -8.205 -4.977 -1.889 1.00 0.00 C ATOM 1254 CD GLU A 90 -8.565 -6.426 -2.156 1.00 0.00 C ATOM 1255 OE1 GLU A 90 -8.484 -6.852 -3.328 1.00 0.00 O ATOM 1256 OE2 GLU A 90 -8.928 -7.134 -1.194 1.00 0.00 O ATOM 0 H GLU A 90 -4.258 -3.498 -2.079 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.063 -2.729 -2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.314 -5.224 -2.860 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.222 -5.176 -1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.562 -4.694 -0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.720 -4.340 -2.608 1.00 0.00 H new ATOM 1263 N VAL A 91 -7.206 -1.580 -0.491 1.00 0.00 N ATOM 1264 CA VAL A 91 -7.345 -0.882 0.787 1.00 0.00 C ATOM 1265 C VAL A 91 -8.800 -0.484 1.052 1.00 0.00 C ATOM 1266 O VAL A 91 -9.655 -0.587 0.168 1.00 0.00 O ATOM 1267 CB VAL A 91 -6.462 0.388 0.831 1.00 0.00 C ATOM 1268 CG1 VAL A 91 -4.992 0.022 0.985 1.00 0.00 C ATOM 1269 CG2 VAL A 91 -6.674 1.237 -0.415 1.00 0.00 C ATOM 0 H VAL A 91 -7.784 -1.200 -1.241 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.018 -1.577 1.561 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.760 0.975 1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.392 0.931 1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.851 -0.535 1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.680 -0.593 0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.043 2.124 -0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.411 0.657 -1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.720 1.538 -0.476 1.00 0.00 H new ATOM 1279 N VAL A 92 -9.074 -0.026 2.276 1.00 0.00 N ATOM 1280 CA VAL A 92 -10.422 0.393 2.663 1.00 0.00 C ATOM 1281 C VAL A 92 -10.389 1.748 3.373 1.00 0.00 C ATOM 1282 O VAL A 92 -9.498 2.010 4.185 1.00 0.00 O ATOM 1283 CB VAL A 92 -11.093 -0.652 3.589 1.00 0.00 C ATOM 1284 CG1 VAL A 92 -12.551 -0.297 3.855 1.00 0.00 C ATOM 1285 CG2 VAL A 92 -10.989 -2.047 2.992 1.00 0.00 C ATOM 0 H VAL A 92 -8.379 0.064 3.017 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.007 0.479 1.747 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.562 -0.641 4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.995 -1.049 4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.606 0.680 4.336 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -13.096 -0.268 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.467 -2.765 3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.486 -2.066 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.939 -2.312 2.866 1.00 0.00 H new ATOM 1295 N TYR A 93 -11.367 2.605 3.061 1.00 0.00 N ATOM 1296 CA TYR A 93 -11.458 3.936 3.667 1.00 0.00 C ATOM 1297 C TYR A 93 -11.750 3.833 5.166 1.00 0.00 C ATOM 1298 O TYR A 93 -12.772 3.273 5.568 1.00 0.00 O ATOM 1299 CB TYR A 93 -12.556 4.763 2.978 1.00 0.00 C ATOM 1300 CG TYR A 93 -12.201 6.226 2.783 1.00 0.00 C ATOM 1301 CD1 TYR A 93 -11.539 6.943 3.776 1.00 0.00 C ATOM 1302 CD2 TYR A 93 -12.530 6.891 1.607 1.00 0.00 C ATOM 1303 CE1 TYR A 93 -11.218 8.276 3.601 1.00 0.00 C ATOM 1304 CE2 TYR A 93 -12.211 8.224 1.426 1.00 0.00 C ATOM 1305 CZ TYR A 93 -11.555 8.912 2.425 1.00 0.00 C ATOM 1306 OH TYR A 93 -11.234 10.239 2.244 1.00 0.00 O ATOM 0 H TYR A 93 -12.108 2.399 2.391 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.498 4.435 3.533 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.773 4.320 2.006 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.470 4.698 3.569 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.272 6.449 4.699 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.044 6.357 0.821 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.705 8.817 4.382 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.474 8.724 0.506 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.542 10.532 1.361 1.00 0.00 H new ATOM 1316 N VAL A 94 -10.845 4.373 5.985 1.00 0.00 N ATOM 1317 CA VAL A 94 -11.003 4.339 7.437 1.00 0.00 C ATOM 1318 C VAL A 94 -10.878 5.736 8.039 1.00 0.00 C ATOM 1319 O VAL A 94 -9.784 6.302 8.098 1.00 0.00 O ATOM 1320 CB VAL A 94 -9.963 3.407 8.092 1.00 0.00 C ATOM 1321 CG1 VAL A 94 -10.248 3.230 9.579 1.00 0.00 C ATOM 1322 CG2 VAL A 94 -9.925 2.061 7.380 1.00 0.00 C ATOM 0 H VAL A 94 -9.996 4.839 5.666 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.002 3.953 7.639 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.982 3.871 7.994 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.500 2.569 10.017 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.209 4.200 10.075 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.239 2.795 9.710 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.185 1.418 7.857 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.907 1.591 7.439 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.656 2.210 6.334 1.00 0.00 H new ATOM 1332 N ALA A 95 -12.016 6.278 8.482 1.00 0.00 N ATOM 1333 CA ALA A 95 -12.072 7.609 9.083 1.00 0.00 C ATOM 1334 C ALA A 95 -11.810 8.692 8.036 1.00 0.00 C ATOM 1335 O ALA A 95 -10.627 9.001 7.770 1.00 0.00 O ATOM 1336 CB ALA A 95 -11.091 7.715 10.249 1.00 0.00 C ATOM 0 H ALA A 95 -12.919 5.807 8.433 1.00 0.00 H new ATOM 0 HA ALA A 95 -13.077 7.766 9.475 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.148 8.713 10.683 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.346 6.975 11.007 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.078 7.533 9.890 1.00 0.00 H new TER 1342 ALA A 95