USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 760 hydrogens (30 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 73 MET CE :methyl -176:sc= -0.0672 (180deg=-0.111) USER MOD Set 1.2: A 75 TYR OH : rot 177:sc= 0.694 USER MOD Set 2.1: A 59 TYR OH : rot -9:sc= 1.6 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -135:sc= 1.12 (180deg=0.183) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.715 K(o=-0.71,f=-2.4) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.22) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 175:sc= 0 (180deg=-0.0349) USER MOD Single : A 48 THR OG1 : rot 94:sc= 0.0918 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -171:sc= 0 (180deg=-0.131) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.223 K(o=0.22,f=-0.58) USER MOD Single : A 61 MET CE :methyl -174:sc= -0.0113 (180deg=-0.081) USER MOD Single : A 64 GLN : amide:sc= 0.351 X(o=0.35,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.0376 X(o=0.038,f=-0.023) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 71 GLN : amide:sc= 0.48 K(o=0.48,f=-3.7!) USER MOD Single : A 72 HIS : no HD1:sc= -0.0377 K(o=-0.038,f=-2.5!) USER MOD Single : A 76 CYS SG : rot 38:sc= 0.1 USER MOD Single : A 88 GLN : amide:sc= -0.0148 X(o=-0.015,f=-0.02) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.416 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 175:sc=-0.00263 (180deg=-0.0197) USER MOD Single : A 104 LYS NZ :NH3+ 170:sc= 0.975 (180deg=0.911) USER MOD Single : A 105 ASN : amide:sc= -0.702 K(o=-0.7,f=-1.3) USER MOD Single : A 108 THR OG1 : rot 160:sc= 0.0826 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 16.436 4.762 10.992 1.00 0.00 N ATOM 2 CA GLN A 23 16.176 4.770 9.551 1.00 0.00 C ATOM 3 C GLN A 23 14.820 4.115 9.208 1.00 0.00 C ATOM 4 O GLN A 23 14.443 3.098 9.798 1.00 0.00 O ATOM 5 CB GLN A 23 17.359 4.089 8.833 1.00 0.00 C ATOM 6 CG GLN A 23 17.276 4.161 7.297 1.00 0.00 C ATOM 7 CD GLN A 23 18.491 3.563 6.581 1.00 0.00 C ATOM 8 OE1 GLN A 23 19.482 3.142 7.169 1.00 0.00 O ATOM 9 NE2 GLN A 23 18.466 3.502 5.264 1.00 0.00 N ATOM 0 HA GLN A 23 16.097 5.799 9.201 1.00 0.00 H new ATOM 0 HB2 GLN A 23 18.288 4.556 9.160 1.00 0.00 H new ATOM 0 HB3 GLN A 23 17.403 3.043 9.137 1.00 0.00 H new ATOM 0 HG2 GLN A 23 16.378 3.638 6.967 1.00 0.00 H new ATOM 0 HG3 GLN A 23 17.167 5.203 6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 23 17.653 3.846 4.753 1.00 0.00 H new ATOM 0 HE22 GLN A 23 19.260 3.111 4.756 1.00 0.00 H new ATOM 18 N ILE A 24 14.098 4.687 8.236 1.00 0.00 N ATOM 19 CA ILE A 24 12.811 4.188 7.720 1.00 0.00 C ATOM 20 C ILE A 24 12.969 3.338 6.455 1.00 0.00 C ATOM 21 O ILE A 24 14.009 3.340 5.797 1.00 0.00 O ATOM 22 CB ILE A 24 11.816 5.349 7.477 1.00 0.00 C ATOM 23 CG1 ILE A 24 12.416 6.523 6.658 1.00 0.00 C ATOM 24 CG2 ILE A 24 11.216 5.823 8.805 1.00 0.00 C ATOM 25 CD1 ILE A 24 11.447 7.685 6.384 1.00 0.00 C ATOM 0 H ILE A 24 14.403 5.541 7.769 1.00 0.00 H new ATOM 0 HA ILE A 24 12.403 3.536 8.492 1.00 0.00 H new ATOM 0 HB ILE A 24 11.015 4.952 6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 24 13.284 6.911 7.190 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.774 6.135 5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.518 6.639 8.618 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.688 4.997 9.281 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.014 6.170 9.461 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.957 8.456 5.806 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.589 7.318 5.821 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.107 8.106 7.330 1.00 0.00 H new ATOM 37 N ASN A 25 11.888 2.650 6.075 1.00 0.00 N ATOM 38 CA ASN A 25 11.826 1.702 4.954 1.00 0.00 C ATOM 39 C ASN A 25 11.694 2.375 3.567 1.00 0.00 C ATOM 40 O ASN A 25 11.032 1.864 2.664 1.00 0.00 O ATOM 41 CB ASN A 25 10.706 0.686 5.245 1.00 0.00 C ATOM 42 CG ASN A 25 10.743 0.116 6.658 1.00 0.00 C ATOM 43 OD1 ASN A 25 9.823 0.292 7.444 1.00 0.00 O ATOM 44 ND2 ASN A 25 11.816 -0.533 7.054 1.00 0.00 N ATOM 0 H ASN A 25 10.995 2.741 6.559 1.00 0.00 H new ATOM 0 HA ASN A 25 12.781 1.181 4.885 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.741 1.167 5.083 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.778 -0.134 4.531 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.876 -0.885 8.010 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.589 -0.685 6.406 1.00 0.00 H new ATOM 51 N GLN A 26 12.313 3.547 3.434 1.00 0.00 N ATOM 52 CA GLN A 26 12.177 4.545 2.364 1.00 0.00 C ATOM 53 C GLN A 26 13.526 4.970 1.761 1.00 0.00 C ATOM 54 O GLN A 26 14.586 4.447 2.114 1.00 0.00 O ATOM 55 CB GLN A 26 11.396 5.769 2.898 1.00 0.00 C ATOM 56 CG GLN A 26 10.241 5.457 3.865 1.00 0.00 C ATOM 57 CD GLN A 26 9.232 4.440 3.333 1.00 0.00 C ATOM 58 OE1 GLN A 26 9.037 4.272 2.140 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.583 3.697 4.204 1.00 0.00 N ATOM 0 H GLN A 26 12.986 3.854 4.136 1.00 0.00 H new ATOM 0 HA GLN A 26 11.621 4.081 1.550 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.098 6.432 3.403 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.994 6.319 2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.657 5.083 4.801 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.717 6.384 4.097 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.739 3.829 5.203 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.924 2.989 3.880 1.00 0.00 H new ATOM 68 N VAL A 27 13.466 5.930 0.835 1.00 0.00 N ATOM 69 CA VAL A 27 14.621 6.474 0.096 1.00 0.00 C ATOM 70 C VAL A 27 15.215 7.655 0.885 1.00 0.00 C ATOM 71 O VAL A 27 14.714 8.012 1.949 1.00 0.00 O ATOM 72 CB VAL A 27 14.211 6.882 -1.348 1.00 0.00 C ATOM 73 CG1 VAL A 27 15.378 7.201 -2.299 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.365 5.795 -2.031 1.00 0.00 C ATOM 0 H VAL A 27 12.585 6.368 0.566 1.00 0.00 H new ATOM 0 HA VAL A 27 15.389 5.706 -0.003 1.00 0.00 H new ATOM 0 HB VAL A 27 13.644 7.799 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.985 7.474 -3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.959 8.031 -1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 27 16.018 6.324 -2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.100 6.119 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.938 4.870 -2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.457 5.624 -1.453 1.00 0.00 H new ATOM 84 N ARG A 28 16.365 8.153 0.420 1.00 0.00 N ATOM 85 CA ARG A 28 17.092 9.385 0.784 1.00 0.00 C ATOM 86 C ARG A 28 18.138 9.675 -0.326 1.00 0.00 C ATOM 87 O ARG A 28 18.763 8.724 -0.800 1.00 0.00 O ATOM 88 CB ARG A 28 17.792 9.247 2.159 1.00 0.00 C ATOM 89 CG ARG A 28 18.582 10.524 2.521 1.00 0.00 C ATOM 90 CD ARG A 28 19.147 10.562 3.940 1.00 0.00 C ATOM 91 NE ARG A 28 20.173 9.523 4.166 1.00 0.00 N ATOM 92 CZ ARG A 28 20.666 9.142 5.333 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.285 9.680 6.458 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.564 8.201 5.394 1.00 0.00 N ATOM 0 H ARG A 28 16.872 7.647 -0.306 1.00 0.00 H new ATOM 0 HA ARG A 28 16.384 10.209 0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.047 9.048 2.930 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.468 8.392 2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 28 19.406 10.633 1.816 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.929 11.386 2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.580 11.544 4.129 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.335 10.429 4.655 1.00 0.00 H new ATOM 0 HE ARG A 28 20.538 9.052 3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.584 10.421 6.457 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.688 9.360 7.339 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.892 7.753 4.538 1.00 0.00 H new ATOM 0 HH22 ARG A 28 21.940 7.912 6.297 1.00 0.00 H new ATOM 108 N PRO A 29 18.352 10.940 -0.741 1.00 0.00 N ATOM 109 CA PRO A 29 19.279 11.307 -1.814 1.00 0.00 C ATOM 110 C PRO A 29 20.617 11.879 -1.309 1.00 0.00 C ATOM 111 O PRO A 29 20.735 12.329 -0.167 1.00 0.00 O ATOM 112 CB PRO A 29 18.507 12.361 -2.609 1.00 0.00 C ATOM 113 CG PRO A 29 17.714 13.105 -1.537 1.00 0.00 C ATOM 114 CD PRO A 29 17.550 12.105 -0.395 1.00 0.00 C ATOM 0 HA PRO A 29 19.569 10.433 -2.397 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.179 13.029 -3.148 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.850 11.904 -3.350 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.243 13.999 -1.205 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.746 13.430 -1.918 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.882 12.537 0.549 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.503 11.830 -0.268 1.00 0.00 H new ATOM 122 N LYS A 30 21.614 11.920 -2.203 1.00 0.00 N ATOM 123 CA LYS A 30 22.887 12.644 -2.007 1.00 0.00 C ATOM 124 C LYS A 30 22.675 14.125 -2.353 1.00 0.00 C ATOM 125 O LYS A 30 21.771 14.440 -3.123 1.00 0.00 O ATOM 126 CB LYS A 30 23.979 11.970 -2.865 1.00 0.00 C ATOM 127 CG LYS A 30 25.407 12.348 -2.436 1.00 0.00 C ATOM 128 CD LYS A 30 26.450 11.790 -3.414 1.00 0.00 C ATOM 129 CE LYS A 30 27.852 12.252 -2.991 1.00 0.00 C ATOM 130 NZ LYS A 30 28.906 11.713 -3.894 1.00 0.00 N ATOM 0 H LYS A 30 21.562 11.442 -3.103 1.00 0.00 H new ATOM 0 HA LYS A 30 23.219 12.601 -0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.863 10.888 -2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.835 12.248 -3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 30 25.498 13.433 -2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.602 11.963 -1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 30 26.404 10.701 -3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 30 26.234 12.132 -4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 30 27.892 13.341 -2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 30 28.049 11.929 -1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 29.839 12.046 -3.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 28.884 10.673 -3.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 28.733 12.042 -4.865 1.00 0.00 H new ATOM 144 N LEU A 31 23.518 15.035 -1.864 1.00 0.00 N ATOM 145 CA LEU A 31 23.434 16.493 -2.065 1.00 0.00 C ATOM 146 C LEU A 31 23.062 16.962 -3.500 1.00 0.00 C ATOM 147 O LEU A 31 22.113 17.739 -3.623 1.00 0.00 O ATOM 148 CB LEU A 31 24.761 17.086 -1.545 1.00 0.00 C ATOM 149 CG LEU A 31 24.915 18.606 -1.714 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.831 19.398 -0.979 1.00 0.00 C ATOM 151 CD2 LEU A 31 26.278 19.053 -1.186 1.00 0.00 C ATOM 0 H LEU A 31 24.318 14.769 -1.289 1.00 0.00 H new ATOM 0 HA LEU A 31 22.583 16.874 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 31 24.858 16.844 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 31 25.586 16.595 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 31 24.820 18.810 -2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.991 20.465 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 31 22.851 19.118 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.878 19.176 0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 31 26.380 20.131 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 31 26.360 18.799 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 31 27.067 18.548 -1.743 1.00 0.00 H new ATOM 163 N PRO A 32 23.702 16.494 -4.596 1.00 0.00 N ATOM 164 CA PRO A 32 23.341 16.924 -5.954 1.00 0.00 C ATOM 165 C PRO A 32 21.978 16.423 -6.441 1.00 0.00 C ATOM 166 O PRO A 32 21.391 17.040 -7.327 1.00 0.00 O ATOM 167 CB PRO A 32 24.474 16.426 -6.851 1.00 0.00 C ATOM 168 CG PRO A 32 25.016 15.208 -6.111 1.00 0.00 C ATOM 169 CD PRO A 32 24.881 15.635 -4.652 1.00 0.00 C ATOM 0 HA PRO A 32 23.230 18.008 -5.976 1.00 0.00 H new ATOM 0 HB2 PRO A 32 24.111 16.162 -7.844 1.00 0.00 H new ATOM 0 HB3 PRO A 32 25.242 17.187 -6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 32 24.439 14.309 -6.328 1.00 0.00 H new ATOM 0 HG3 PRO A 32 26.051 14.995 -6.379 1.00 0.00 H new ATOM 0 HD2 PRO A 32 24.765 14.769 -4.000 1.00 0.00 H new ATOM 0 HD3 PRO A 32 25.770 16.169 -4.317 1.00 0.00 H new ATOM 177 N LEU A 33 21.450 15.345 -5.852 1.00 0.00 N ATOM 178 CA LEU A 33 20.099 14.836 -6.121 1.00 0.00 C ATOM 179 C LEU A 33 19.038 15.462 -5.191 1.00 0.00 C ATOM 180 O LEU A 33 17.916 15.734 -5.612 1.00 0.00 O ATOM 181 CB LEU A 33 20.127 13.297 -6.059 1.00 0.00 C ATOM 182 CG LEU A 33 21.118 12.612 -7.026 1.00 0.00 C ATOM 183 CD1 LEU A 33 20.939 11.096 -6.947 1.00 0.00 C ATOM 184 CD2 LEU A 33 20.948 13.050 -8.482 1.00 0.00 C ATOM 0 H LEU A 33 21.958 14.791 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 33 19.795 15.136 -7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.373 12.996 -5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.125 12.924 -6.269 1.00 0.00 H new ATOM 0 HG LEU A 33 22.117 12.913 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 33 21.638 10.611 -7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 33 21.133 10.759 -5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.918 10.835 -7.227 1.00 0.00 H new ATOM 0 HD21 LEU A 33 21.675 12.530 -9.106 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.941 12.807 -8.820 1.00 0.00 H new ATOM 0 HD23 LEU A 33 21.107 14.126 -8.559 1.00 0.00 H new ATOM 196 N LEU A 34 19.415 15.785 -3.950 1.00 0.00 N ATOM 197 CA LEU A 34 18.603 16.498 -2.951 1.00 0.00 C ATOM 198 C LEU A 34 18.221 17.908 -3.420 1.00 0.00 C ATOM 199 O LEU A 34 17.077 18.332 -3.235 1.00 0.00 O ATOM 200 CB LEU A 34 19.446 16.509 -1.652 1.00 0.00 C ATOM 201 CG LEU A 34 18.803 17.114 -0.385 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.301 16.381 0.862 1.00 0.00 C ATOM 203 CD2 LEU A 34 19.188 18.584 -0.226 1.00 0.00 C ATOM 0 H LEU A 34 20.341 15.546 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 34 17.647 16.000 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.728 15.481 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 34 20.367 17.055 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 34 17.723 17.015 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.840 16.817 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.033 15.326 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.385 16.477 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.723 18.987 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.271 18.669 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.845 19.146 -1.095 1.00 0.00 H new ATOM 215 N LYS A 35 19.139 18.620 -4.089 1.00 0.00 N ATOM 216 CA LYS A 35 18.874 20.005 -4.523 1.00 0.00 C ATOM 217 C LYS A 35 17.886 20.128 -5.693 1.00 0.00 C ATOM 218 O LYS A 35 17.181 21.130 -5.809 1.00 0.00 O ATOM 219 CB LYS A 35 20.153 20.805 -4.650 1.00 0.00 C ATOM 220 CG LYS A 35 21.117 20.378 -5.754 1.00 0.00 C ATOM 221 CD LYS A 35 22.453 20.968 -5.312 1.00 0.00 C ATOM 222 CE LYS A 35 23.503 20.938 -6.433 1.00 0.00 C ATOM 223 NZ LYS A 35 24.774 21.596 -6.016 1.00 0.00 N ATOM 0 H LYS A 35 20.063 18.268 -4.341 1.00 0.00 H new ATOM 0 HA LYS A 35 18.318 20.487 -3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.887 21.849 -4.814 1.00 0.00 H new ATOM 0 HB3 LYS A 35 20.682 20.757 -3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.168 19.293 -5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.810 20.764 -6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.303 21.997 -4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.827 20.412 -4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 35 23.704 19.905 -6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 35 23.107 21.439 -7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 25.458 21.556 -6.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 24.586 22.589 -5.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 25.165 21.102 -5.188 1.00 0.00 H new ATOM 237 N ILE A 36 17.741 19.051 -6.474 1.00 0.00 N ATOM 238 CA ILE A 36 16.699 18.890 -7.506 1.00 0.00 C ATOM 239 C ILE A 36 15.323 18.998 -6.845 1.00 0.00 C ATOM 240 O ILE A 36 14.507 19.830 -7.228 1.00 0.00 O ATOM 241 CB ILE A 36 16.828 17.534 -8.248 1.00 0.00 C ATOM 242 CG1 ILE A 36 18.277 17.276 -8.705 1.00 0.00 C ATOM 243 CG2 ILE A 36 15.868 17.483 -9.450 1.00 0.00 C ATOM 244 CD1 ILE A 36 18.513 15.881 -9.291 1.00 0.00 C ATOM 0 H ILE A 36 18.360 18.243 -6.407 1.00 0.00 H new ATOM 0 HA ILE A 36 16.824 19.679 -8.248 1.00 0.00 H new ATOM 0 HB ILE A 36 16.555 16.745 -7.547 1.00 0.00 H new ATOM 0 HG12 ILE A 36 18.548 18.022 -9.452 1.00 0.00 H new ATOM 0 HG13 ILE A 36 18.945 17.418 -7.855 1.00 0.00 H new ATOM 0 HG21 ILE A 36 15.972 16.525 -9.959 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.842 17.599 -9.101 1.00 0.00 H new ATOM 0 HG23 ILE A 36 16.109 18.289 -10.143 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.557 15.783 -9.587 1.00 0.00 H new ATOM 0 HD12 ILE A 36 18.276 15.126 -8.541 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.874 15.740 -10.163 1.00 0.00 H new ATOM 256 N LEU A 37 15.086 18.219 -5.784 1.00 0.00 N ATOM 257 CA LEU A 37 13.841 18.296 -5.025 1.00 0.00 C ATOM 258 C LEU A 37 13.710 19.590 -4.192 1.00 0.00 C ATOM 259 O LEU A 37 12.597 20.098 -4.055 1.00 0.00 O ATOM 260 CB LEU A 37 13.574 16.953 -4.297 1.00 0.00 C ATOM 261 CG LEU A 37 12.604 15.957 -4.996 1.00 0.00 C ATOM 262 CD1 LEU A 37 11.500 16.572 -5.863 1.00 0.00 C ATOM 263 CD2 LEU A 37 13.355 14.960 -5.876 1.00 0.00 C ATOM 0 H LEU A 37 15.746 17.525 -5.433 1.00 0.00 H new ATOM 0 HA LEU A 37 13.003 18.410 -5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.530 16.450 -4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.176 17.176 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 37 12.119 15.480 -4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.891 15.777 -6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.872 17.217 -5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.950 17.159 -6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.643 14.282 -6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.907 15.498 -6.646 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.052 14.387 -5.264 1.00 0.00 H new ATOM 275 N HIS A 38 14.801 20.200 -3.702 1.00 0.00 N ATOM 276 CA HIS A 38 14.733 21.555 -3.106 1.00 0.00 C ATOM 277 C HIS A 38 14.248 22.617 -4.105 1.00 0.00 C ATOM 278 O HIS A 38 13.519 23.523 -3.698 1.00 0.00 O ATOM 279 CB HIS A 38 16.084 22.009 -2.533 1.00 0.00 C ATOM 280 CG HIS A 38 16.454 21.477 -1.169 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.446 22.035 -0.357 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.823 20.483 -0.475 1.00 0.00 C ATOM 283 CE1 HIS A 38 17.386 21.374 0.810 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.423 20.436 0.767 1.00 0.00 N ATOM 0 H HIS A 38 15.734 19.787 -3.704 1.00 0.00 H new ATOM 0 HA HIS A 38 14.007 21.469 -2.297 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.866 21.720 -3.235 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.085 23.098 -2.486 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.016 19.859 -0.828 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.021 21.568 1.662 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.178 19.798 1.524 1.00 0.00 H new ATOM 292 N ALA A 39 14.556 22.492 -5.406 1.00 0.00 N ATOM 293 CA ALA A 39 13.990 23.385 -6.431 1.00 0.00 C ATOM 294 C ALA A 39 12.444 23.327 -6.513 1.00 0.00 C ATOM 295 O ALA A 39 11.815 24.263 -7.010 1.00 0.00 O ATOM 296 CB ALA A 39 14.612 23.084 -7.802 1.00 0.00 C ATOM 0 H ALA A 39 15.192 21.784 -5.773 1.00 0.00 H new ATOM 0 HA ALA A 39 14.242 24.401 -6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.184 23.752 -8.550 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.690 23.236 -7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.404 22.050 -8.077 1.00 0.00 H new ATOM 302 N ALA A 40 11.834 22.252 -5.992 1.00 0.00 N ATOM 303 CA ALA A 40 10.390 22.059 -5.855 1.00 0.00 C ATOM 304 C ALA A 40 9.874 22.213 -4.404 1.00 0.00 C ATOM 305 O ALA A 40 8.792 21.719 -4.075 1.00 0.00 O ATOM 306 CB ALA A 40 10.040 20.702 -6.470 1.00 0.00 C ATOM 0 H ALA A 40 12.365 21.456 -5.638 1.00 0.00 H new ATOM 0 HA ALA A 40 9.874 22.855 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.967 20.529 -6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.324 20.695 -7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.579 19.914 -5.943 1.00 0.00 H new ATOM 312 N GLY A 41 10.643 22.864 -3.520 1.00 0.00 N ATOM 313 CA GLY A 41 10.252 23.160 -2.133 1.00 0.00 C ATOM 314 C GLY A 41 10.218 21.952 -1.183 1.00 0.00 C ATOM 315 O GLY A 41 9.633 22.043 -0.100 1.00 0.00 O ATOM 0 H GLY A 41 11.575 23.207 -3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.944 23.899 -1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.264 23.620 -2.143 1.00 0.00 H new ATOM 319 N ALA A 42 10.807 20.819 -1.581 1.00 0.00 N ATOM 320 CA ALA A 42 10.810 19.567 -0.829 1.00 0.00 C ATOM 321 C ALA A 42 11.978 19.487 0.188 1.00 0.00 C ATOM 322 O ALA A 42 12.652 20.478 0.477 1.00 0.00 O ATOM 323 CB ALA A 42 10.913 18.450 -1.872 1.00 0.00 C ATOM 0 H ALA A 42 11.310 20.750 -2.465 1.00 0.00 H new ATOM 0 HA ALA A 42 9.903 19.482 -0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.920 17.483 -1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.059 18.502 -2.547 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.834 18.569 -2.443 1.00 0.00 H new ATOM 329 N GLN A 43 12.266 18.270 0.668 1.00 0.00 N ATOM 330 CA GLN A 43 13.453 17.915 1.471 1.00 0.00 C ATOM 331 C GLN A 43 14.137 16.635 0.955 1.00 0.00 C ATOM 332 O GLN A 43 14.285 15.629 1.649 1.00 0.00 O ATOM 333 CB GLN A 43 13.121 17.942 2.975 1.00 0.00 C ATOM 334 CG GLN A 43 11.988 17.010 3.444 1.00 0.00 C ATOM 335 CD GLN A 43 11.634 17.254 4.910 1.00 0.00 C ATOM 336 OE1 GLN A 43 10.662 17.921 5.245 1.00 0.00 O ATOM 337 NE2 GLN A 43 12.408 16.742 5.847 1.00 0.00 N ATOM 0 H GLN A 43 11.655 17.470 0.503 1.00 0.00 H new ATOM 0 HA GLN A 43 14.220 18.679 1.341 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.024 17.687 3.529 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.858 18.964 3.248 1.00 0.00 H new ATOM 0 HG2 GLN A 43 11.105 17.168 2.824 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.290 15.971 3.309 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.222 16.184 5.588 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.193 16.904 6.831 1.00 0.00 H new ATOM 346 N GLY A 44 14.538 16.683 -0.318 1.00 0.00 N ATOM 347 CA GLY A 44 15.200 15.593 -1.032 1.00 0.00 C ATOM 348 C GLY A 44 14.244 14.465 -1.416 1.00 0.00 C ATOM 349 O GLY A 44 13.326 14.663 -2.194 1.00 0.00 O ATOM 0 H GLY A 44 14.405 17.511 -0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.668 15.988 -1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.998 15.189 -0.409 1.00 0.00 H new ATOM 353 N GLU A 45 14.504 13.267 -0.900 1.00 0.00 N ATOM 354 CA GLU A 45 13.772 12.014 -1.175 1.00 0.00 C ATOM 355 C GLU A 45 13.680 11.142 0.087 1.00 0.00 C ATOM 356 O GLU A 45 13.468 9.939 0.003 1.00 0.00 O ATOM 357 CB GLU A 45 14.393 11.231 -2.352 1.00 0.00 C ATOM 358 CG GLU A 45 14.342 11.968 -3.693 1.00 0.00 C ATOM 359 CD GLU A 45 14.730 11.011 -4.838 1.00 0.00 C ATOM 360 OE1 GLU A 45 15.937 10.909 -5.163 1.00 0.00 O ATOM 361 OE2 GLU A 45 13.827 10.350 -5.406 1.00 0.00 O ATOM 0 H GLU A 45 15.271 13.127 -0.242 1.00 0.00 H new ATOM 0 HA GLU A 45 12.759 12.287 -1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.432 11.004 -2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.874 10.278 -2.454 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.340 12.363 -3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.021 12.820 -3.675 1.00 0.00 H new ATOM 368 N MET A 46 13.909 11.738 1.263 1.00 0.00 N ATOM 369 CA MET A 46 14.006 11.067 2.574 1.00 0.00 C ATOM 370 C MET A 46 12.632 10.655 3.148 1.00 0.00 C ATOM 371 O MET A 46 12.269 10.979 4.280 1.00 0.00 O ATOM 372 CB MET A 46 14.884 11.928 3.477 1.00 0.00 C ATOM 373 CG MET A 46 15.310 11.262 4.795 1.00 0.00 C ATOM 374 SD MET A 46 16.484 12.228 5.789 1.00 0.00 S ATOM 375 CE MET A 46 15.425 13.602 6.323 1.00 0.00 C ATOM 0 H MET A 46 14.038 12.747 1.335 1.00 0.00 H new ATOM 0 HA MET A 46 14.495 10.098 2.477 1.00 0.00 H new ATOM 0 HB2 MET A 46 15.780 12.211 2.924 1.00 0.00 H new ATOM 0 HB3 MET A 46 14.348 12.848 3.709 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.420 11.070 5.394 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.757 10.294 4.569 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.976 14.238 7.016 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.123 14.188 5.455 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.539 13.207 6.820 1.00 0.00 H new ATOM 385 N PHE A 47 11.838 9.996 2.303 1.00 0.00 N ATOM 386 CA PHE A 47 10.412 9.691 2.506 1.00 0.00 C ATOM 387 C PHE A 47 9.838 8.706 1.458 1.00 0.00 C ATOM 388 O PHE A 47 10.516 8.299 0.514 1.00 0.00 O ATOM 389 CB PHE A 47 9.630 11.020 2.533 1.00 0.00 C ATOM 390 CG PHE A 47 10.078 12.055 1.517 1.00 0.00 C ATOM 391 CD1 PHE A 47 9.883 11.818 0.147 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.728 13.232 1.936 1.00 0.00 C ATOM 393 CE1 PHE A 47 10.278 12.780 -0.793 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.151 14.180 0.987 1.00 0.00 C ATOM 395 CZ PHE A 47 10.904 13.962 -0.374 1.00 0.00 C ATOM 0 H PHE A 47 12.185 9.641 1.412 1.00 0.00 H new ATOM 0 HA PHE A 47 10.303 9.173 3.459 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.574 10.805 2.367 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.715 11.453 3.530 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.429 10.895 -0.182 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.902 13.407 2.987 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.099 12.610 -1.844 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.665 15.074 1.307 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.196 14.705 -1.101 1.00 0.00 H new ATOM 405 N THR A 48 8.583 8.292 1.664 1.00 0.00 N ATOM 406 CA THR A 48 7.838 7.237 0.939 1.00 0.00 C ATOM 407 C THR A 48 7.570 7.565 -0.542 1.00 0.00 C ATOM 408 O THR A 48 7.639 8.717 -0.975 1.00 0.00 O ATOM 409 CB THR A 48 6.489 6.972 1.666 1.00 0.00 C ATOM 410 OG1 THR A 48 6.592 7.282 3.045 1.00 0.00 O ATOM 411 CG2 THR A 48 5.967 5.533 1.602 1.00 0.00 C ATOM 0 H THR A 48 8.011 8.713 2.396 1.00 0.00 H new ATOM 0 HA THR A 48 8.471 6.350 0.944 1.00 0.00 H new ATOM 0 HB THR A 48 5.791 7.612 1.126 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.292 8.202 3.197 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.022 5.464 2.141 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.812 5.248 0.561 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.695 4.861 2.058 1.00 0.00 H new ATOM 419 N VAL A 49 7.164 6.545 -1.311 1.00 0.00 N ATOM 420 CA VAL A 49 6.827 6.610 -2.756 1.00 0.00 C ATOM 421 C VAL A 49 5.834 7.736 -3.066 1.00 0.00 C ATOM 422 O VAL A 49 6.048 8.558 -3.961 1.00 0.00 O ATOM 423 CB VAL A 49 6.252 5.250 -3.228 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.749 5.271 -4.676 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.305 4.146 -3.086 1.00 0.00 C ATOM 0 H VAL A 49 7.054 5.604 -0.933 1.00 0.00 H new ATOM 0 HA VAL A 49 7.747 6.827 -3.298 1.00 0.00 H new ATOM 0 HB VAL A 49 5.395 5.050 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.360 4.288 -4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.957 6.013 -4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.572 5.527 -5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.885 3.198 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.175 4.393 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.604 4.061 -2.041 1.00 0.00 H new ATOM 435 N LYS A 50 4.772 7.816 -2.258 1.00 0.00 N ATOM 436 CA LYS A 50 3.715 8.827 -2.409 1.00 0.00 C ATOM 437 C LYS A 50 4.204 10.258 -2.185 1.00 0.00 C ATOM 438 O LYS A 50 3.697 11.180 -2.818 1.00 0.00 O ATOM 439 CB LYS A 50 2.501 8.472 -1.526 1.00 0.00 C ATOM 440 CG LYS A 50 2.832 8.432 -0.023 1.00 0.00 C ATOM 441 CD LYS A 50 1.605 8.096 0.832 1.00 0.00 C ATOM 442 CE LYS A 50 2.030 8.004 2.305 1.00 0.00 C ATOM 443 NZ LYS A 50 0.865 7.755 3.199 1.00 0.00 N ATOM 0 H LYS A 50 4.619 7.179 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 50 3.396 8.804 -3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.710 9.202 -1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.110 7.501 -1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.611 7.691 0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.234 9.398 0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.839 8.862 0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.167 7.152 0.507 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.758 7.202 2.424 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.524 8.930 2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.190 7.699 4.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.182 8.533 3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.409 6.859 2.933 1.00 0.00 H new ATOM 457 N GLU A 51 5.217 10.437 -1.339 1.00 0.00 N ATOM 458 CA GLU A 51 5.831 11.740 -1.093 1.00 0.00 C ATOM 459 C GLU A 51 6.802 12.110 -2.224 1.00 0.00 C ATOM 460 O GLU A 51 6.677 13.203 -2.773 1.00 0.00 O ATOM 461 CB GLU A 51 6.494 11.758 0.295 1.00 0.00 C ATOM 462 CG GLU A 51 5.530 11.518 1.466 1.00 0.00 C ATOM 463 CD GLU A 51 4.431 12.597 1.562 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.665 13.653 2.197 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.316 12.387 1.026 1.00 0.00 O ATOM 0 H GLU A 51 5.637 9.678 -0.802 1.00 0.00 H new ATOM 0 HA GLU A 51 5.058 12.508 -1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.273 10.996 0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.985 12.721 0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.064 10.539 1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.095 11.496 2.398 1.00 0.00 H new ATOM 472 N VAL A 52 7.691 11.206 -2.678 1.00 0.00 N ATOM 473 CA VAL A 52 8.580 11.510 -3.830 1.00 0.00 C ATOM 474 C VAL A 52 7.810 11.883 -5.090 1.00 0.00 C ATOM 475 O VAL A 52 8.129 12.878 -5.739 1.00 0.00 O ATOM 476 CB VAL A 52 9.583 10.400 -4.173 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.651 10.198 -3.095 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.025 9.012 -4.465 1.00 0.00 C ATOM 0 H VAL A 52 7.817 10.276 -2.279 1.00 0.00 H new ATOM 0 HA VAL A 52 9.148 12.372 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 52 9.989 10.803 -5.101 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.328 9.400 -3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.215 11.122 -2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.172 9.929 -2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.845 8.330 -4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.480 8.648 -3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.350 9.064 -5.319 1.00 0.00 H new ATOM 488 N MET A 53 6.768 11.122 -5.413 1.00 0.00 N ATOM 489 CA MET A 53 5.953 11.403 -6.608 1.00 0.00 C ATOM 490 C MET A 53 5.124 12.698 -6.482 1.00 0.00 C ATOM 491 O MET A 53 4.882 13.363 -7.488 1.00 0.00 O ATOM 492 CB MET A 53 5.110 10.185 -7.013 1.00 0.00 C ATOM 493 CG MET A 53 3.875 9.963 -6.136 1.00 0.00 C ATOM 494 SD MET A 53 2.946 8.449 -6.508 1.00 0.00 S ATOM 495 CE MET A 53 2.329 8.842 -8.171 1.00 0.00 C ATOM 0 H MET A 53 6.464 10.311 -4.874 1.00 0.00 H new ATOM 0 HA MET A 53 6.647 11.591 -7.427 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.791 10.305 -8.048 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.736 9.294 -6.974 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.187 9.935 -5.092 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.209 10.819 -6.246 1.00 0.00 H new ATOM 0 HE1 MET A 53 1.609 8.085 -8.480 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.846 9.819 -8.158 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.162 8.858 -8.874 1.00 0.00 H new ATOM 505 N HIS A 54 4.752 13.101 -5.260 1.00 0.00 N ATOM 506 CA HIS A 54 4.103 14.387 -4.960 1.00 0.00 C ATOM 507 C HIS A 54 5.042 15.566 -5.277 1.00 0.00 C ATOM 508 O HIS A 54 4.749 16.372 -6.166 1.00 0.00 O ATOM 509 CB HIS A 54 3.631 14.376 -3.490 1.00 0.00 C ATOM 510 CG HIS A 54 3.617 15.727 -2.823 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.879 16.835 -3.243 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.453 16.102 -1.812 1.00 0.00 C ATOM 513 CE1 HIS A 54 3.295 17.854 -2.472 1.00 0.00 C ATOM 514 NE2 HIS A 54 4.228 17.441 -1.598 1.00 0.00 N ATOM 0 H HIS A 54 4.897 12.527 -4.429 1.00 0.00 H new ATOM 0 HA HIS A 54 3.229 14.523 -5.597 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.626 13.955 -3.448 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.279 13.711 -2.919 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.153 15.471 -1.284 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.929 18.867 -2.545 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.689 18.021 -0.897 1.00 0.00 H new ATOM 522 N TYR A 55 6.211 15.622 -4.627 1.00 0.00 N ATOM 523 CA TYR A 55 7.249 16.617 -4.898 1.00 0.00 C ATOM 524 C TYR A 55 7.716 16.623 -6.366 1.00 0.00 C ATOM 525 O TYR A 55 7.980 17.692 -6.912 1.00 0.00 O ATOM 526 CB TYR A 55 8.441 16.390 -3.966 1.00 0.00 C ATOM 527 CG TYR A 55 8.137 16.484 -2.484 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.719 17.702 -1.916 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.335 15.365 -1.660 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.493 17.806 -0.530 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.100 15.458 -0.274 1.00 0.00 C ATOM 532 CZ TYR A 55 7.683 16.678 0.298 1.00 0.00 C ATOM 533 OH TYR A 55 7.488 16.765 1.643 1.00 0.00 O ATOM 0 H TYR A 55 6.463 14.966 -3.888 1.00 0.00 H new ATOM 0 HA TYR A 55 6.807 17.595 -4.710 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.858 15.404 -4.172 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.213 17.120 -4.208 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.570 18.564 -2.549 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.668 14.431 -2.089 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.175 18.745 -0.102 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.240 14.590 0.354 1.00 0.00 H new ATOM 0 HH TYR A 55 7.663 15.894 2.056 1.00 0.00 H new ATOM 543 N LEU A 56 7.772 15.465 -7.036 1.00 0.00 N ATOM 544 CA LEU A 56 8.129 15.383 -8.457 1.00 0.00 C ATOM 545 C LEU A 56 7.031 15.935 -9.386 1.00 0.00 C ATOM 546 O LEU A 56 7.350 16.643 -10.339 1.00 0.00 O ATOM 547 CB LEU A 56 8.507 13.933 -8.802 1.00 0.00 C ATOM 548 CG LEU A 56 8.905 13.722 -10.274 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.081 14.588 -10.713 1.00 0.00 C ATOM 550 CD2 LEU A 56 9.291 12.261 -10.494 1.00 0.00 C ATOM 0 H LEU A 56 7.571 14.561 -6.609 1.00 0.00 H new ATOM 0 HA LEU A 56 8.992 16.026 -8.628 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.335 13.623 -8.165 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.664 13.283 -8.568 1.00 0.00 H new ATOM 0 HG LEU A 56 8.037 14.008 -10.868 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.308 14.389 -11.760 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.824 15.640 -10.591 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.953 14.355 -10.102 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.573 12.112 -11.536 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.133 12.006 -9.851 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.443 11.620 -10.252 1.00 0.00 H new ATOM 562 N GLY A 57 5.748 15.688 -9.102 1.00 0.00 N ATOM 563 CA GLY A 57 4.641 16.286 -9.858 1.00 0.00 C ATOM 564 C GLY A 57 4.700 17.819 -9.838 1.00 0.00 C ATOM 565 O GLY A 57 4.683 18.465 -10.891 1.00 0.00 O ATOM 0 H GLY A 57 5.448 15.072 -8.346 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.673 15.934 -10.889 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.692 15.953 -9.437 1.00 0.00 H new ATOM 569 N GLN A 58 4.901 18.409 -8.652 1.00 0.00 N ATOM 570 CA GLN A 58 5.095 19.858 -8.524 1.00 0.00 C ATOM 571 C GLN A 58 6.443 20.339 -9.097 1.00 0.00 C ATOM 572 O GLN A 58 6.478 21.432 -9.652 1.00 0.00 O ATOM 573 CB GLN A 58 4.759 20.367 -7.110 1.00 0.00 C ATOM 574 CG GLN A 58 5.765 19.973 -6.024 1.00 0.00 C ATOM 575 CD GLN A 58 5.314 20.317 -4.601 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.140 20.481 -4.294 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.229 20.413 -3.659 1.00 0.00 N ATOM 0 H GLN A 58 4.933 17.903 -7.767 1.00 0.00 H new ATOM 0 HA GLN A 58 4.360 20.341 -9.168 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.686 21.454 -7.139 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.776 19.989 -6.828 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.949 18.901 -6.086 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.713 20.472 -6.224 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.214 20.281 -3.889 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.953 20.620 -2.699 1.00 0.00 H new ATOM 586 N TYR A 59 7.527 19.547 -9.063 1.00 0.00 N ATOM 587 CA TYR A 59 8.771 19.867 -9.791 1.00 0.00 C ATOM 588 C TYR A 59 8.493 20.062 -11.287 1.00 0.00 C ATOM 589 O TYR A 59 8.769 21.133 -11.818 1.00 0.00 O ATOM 590 CB TYR A 59 9.849 18.785 -9.572 1.00 0.00 C ATOM 591 CG TYR A 59 11.182 19.052 -10.260 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.390 18.636 -11.592 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.226 19.696 -9.569 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.634 18.853 -12.225 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.457 19.934 -10.207 1.00 0.00 C ATOM 596 CZ TYR A 59 13.674 19.502 -11.527 1.00 0.00 C ATOM 597 OH TYR A 59 14.880 19.756 -12.102 1.00 0.00 O ATOM 0 H TYR A 59 7.569 18.675 -8.536 1.00 0.00 H new ATOM 0 HA TYR A 59 9.156 20.804 -9.388 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.025 18.681 -8.501 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.460 17.830 -9.926 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.592 18.148 -12.132 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.081 20.008 -8.545 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.789 18.523 -13.242 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.242 20.453 -9.678 1.00 0.00 H new ATOM 0 HH TYR A 59 14.930 19.303 -12.970 1.00 0.00 H new ATOM 607 N ILE A 60 7.859 19.089 -11.953 1.00 0.00 N ATOM 608 CA ILE A 60 7.474 19.189 -13.376 1.00 0.00 C ATOM 609 C ILE A 60 6.599 20.431 -13.604 1.00 0.00 C ATOM 610 O ILE A 60 6.839 21.199 -14.536 1.00 0.00 O ATOM 611 CB ILE A 60 6.730 17.906 -13.818 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.610 16.642 -13.676 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.238 18.026 -15.274 1.00 0.00 C ATOM 614 CD1 ILE A 60 6.757 15.373 -13.561 1.00 0.00 C ATOM 0 H ILE A 60 7.595 18.203 -11.522 1.00 0.00 H new ATOM 0 HA ILE A 60 8.376 19.290 -13.980 1.00 0.00 H new ATOM 0 HB ILE A 60 5.873 17.801 -13.153 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.272 16.560 -14.538 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.244 16.736 -12.795 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.719 17.111 -15.559 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.556 18.872 -15.359 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.091 18.180 -15.935 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.408 14.504 -13.463 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.114 15.445 -12.684 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.142 15.266 -14.454 1.00 0.00 H new ATOM 626 N MET A 61 5.625 20.672 -12.720 1.00 0.00 N ATOM 627 CA MET A 61 4.723 21.826 -12.804 1.00 0.00 C ATOM 628 C MET A 61 5.444 23.186 -12.642 1.00 0.00 C ATOM 629 O MET A 61 5.066 24.156 -13.299 1.00 0.00 O ATOM 630 CB MET A 61 3.615 21.634 -11.756 1.00 0.00 C ATOM 631 CG MET A 61 2.336 22.428 -12.049 1.00 0.00 C ATOM 632 SD MET A 61 0.984 21.477 -12.810 1.00 0.00 S ATOM 633 CE MET A 61 1.639 21.125 -14.465 1.00 0.00 C ATOM 0 H MET A 61 5.439 20.067 -11.920 1.00 0.00 H new ATOM 0 HA MET A 61 4.296 21.865 -13.806 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.367 20.574 -11.694 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.998 21.929 -10.779 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.974 22.858 -11.115 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.588 23.260 -12.707 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.868 20.642 -15.066 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.941 22.057 -14.943 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.501 20.464 -14.382 1.00 0.00 H new ATOM 643 N VAL A 62 6.501 23.265 -11.820 1.00 0.00 N ATOM 644 CA VAL A 62 7.334 24.469 -11.611 1.00 0.00 C ATOM 645 C VAL A 62 8.326 24.679 -12.759 1.00 0.00 C ATOM 646 O VAL A 62 8.341 25.755 -13.364 1.00 0.00 O ATOM 647 CB VAL A 62 8.036 24.423 -10.242 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.120 25.495 -10.060 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.018 24.618 -9.113 1.00 0.00 C ATOM 0 H VAL A 62 6.813 22.470 -11.263 1.00 0.00 H new ATOM 0 HA VAL A 62 6.672 25.335 -11.609 1.00 0.00 H new ATOM 0 HB VAL A 62 8.511 23.443 -10.203 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.567 25.396 -9.071 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.890 25.367 -10.821 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.674 26.484 -10.159 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.530 24.583 -8.151 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.528 25.585 -9.228 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.271 23.825 -9.156 1.00 0.00 H new ATOM 659 N LYS A 63 9.113 23.645 -13.106 1.00 0.00 N ATOM 660 CA LYS A 63 10.057 23.685 -14.244 1.00 0.00 C ATOM 661 C LYS A 63 9.338 23.789 -15.599 1.00 0.00 C ATOM 662 O LYS A 63 9.968 24.161 -16.587 1.00 0.00 O ATOM 663 CB LYS A 63 10.984 22.449 -14.264 1.00 0.00 C ATOM 664 CG LYS A 63 11.760 22.102 -12.982 1.00 0.00 C ATOM 665 CD LYS A 63 12.588 23.209 -12.316 1.00 0.00 C ATOM 666 CE LYS A 63 13.862 23.634 -13.065 1.00 0.00 C ATOM 667 NZ LYS A 63 14.840 22.522 -13.256 1.00 0.00 N ATOM 0 H LYS A 63 9.115 22.756 -12.606 1.00 0.00 H new ATOM 0 HA LYS A 63 10.656 24.584 -14.096 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.379 21.583 -14.531 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.710 22.590 -15.065 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.043 21.734 -12.248 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.432 21.276 -13.213 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.953 24.086 -12.191 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.870 22.875 -11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.584 24.034 -14.040 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.345 24.442 -12.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.797 22.858 -13.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.592 21.730 -12.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.813 22.202 -14.245 1.00 0.00 H new ATOM 681 N GLN A 64 8.027 23.502 -15.628 1.00 0.00 N ATOM 682 CA GLN A 64 7.084 23.677 -16.744 1.00 0.00 C ATOM 683 C GLN A 64 7.623 23.147 -18.085 1.00 0.00 C ATOM 684 O GLN A 64 7.506 23.777 -19.138 1.00 0.00 O ATOM 685 CB GLN A 64 6.470 25.092 -16.733 1.00 0.00 C ATOM 686 CG GLN A 64 7.453 26.259 -16.921 1.00 0.00 C ATOM 687 CD GLN A 64 6.857 27.576 -16.434 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.301 28.366 -17.189 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.943 27.857 -15.148 1.00 0.00 N ATOM 0 H GLN A 64 7.563 23.111 -14.808 1.00 0.00 H new ATOM 0 HA GLN A 64 6.227 23.021 -16.591 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.719 25.146 -17.521 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.949 25.232 -15.786 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.374 26.052 -16.376 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.719 26.346 -17.975 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.404 27.205 -14.513 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.549 28.726 -14.788 1.00 0.00 H new ATOM 698 N LEU A 65 8.239 21.960 -18.008 1.00 0.00 N ATOM 699 CA LEU A 65 9.026 21.328 -19.074 1.00 0.00 C ATOM 700 C LEU A 65 8.214 20.294 -19.887 1.00 0.00 C ATOM 701 O LEU A 65 8.768 19.433 -20.565 1.00 0.00 O ATOM 702 CB LEU A 65 10.324 20.789 -18.425 1.00 0.00 C ATOM 703 CG LEU A 65 11.524 20.532 -19.363 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.908 21.756 -20.199 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.746 20.158 -18.520 1.00 0.00 C ATOM 0 H LEU A 65 8.200 21.389 -17.164 1.00 0.00 H new ATOM 0 HA LEU A 65 9.302 22.053 -19.840 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.639 21.498 -17.659 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.086 19.855 -17.917 1.00 0.00 H new ATOM 0 HG LEU A 65 11.223 19.733 -20.041 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.757 21.509 -20.836 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.062 22.052 -20.820 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.178 22.579 -19.537 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.598 19.975 -19.175 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.982 20.975 -17.838 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.530 19.257 -17.946 1.00 0.00 H new ATOM 717 N TYR A 66 6.884 20.357 -19.804 1.00 0.00 N ATOM 718 CA TYR A 66 5.948 19.528 -20.570 1.00 0.00 C ATOM 719 C TYR A 66 5.627 20.116 -21.956 1.00 0.00 C ATOM 720 O TYR A 66 5.923 21.280 -22.244 1.00 0.00 O ATOM 721 CB TYR A 66 4.686 19.287 -19.728 1.00 0.00 C ATOM 722 CG TYR A 66 4.071 20.553 -19.163 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.320 21.404 -19.994 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.307 20.904 -17.821 1.00 0.00 C ATOM 725 CE1 TYR A 66 2.807 22.613 -19.488 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.783 22.107 -17.304 1.00 0.00 C ATOM 727 CZ TYR A 66 3.033 22.967 -18.139 1.00 0.00 C ATOM 728 OH TYR A 66 2.530 24.139 -17.659 1.00 0.00 O ATOM 0 H TYR A 66 6.411 21.010 -19.179 1.00 0.00 H new ATOM 0 HA TYR A 66 6.423 18.569 -20.776 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.944 18.777 -20.342 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.933 18.617 -18.905 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.137 21.129 -21.022 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.889 20.252 -17.187 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.240 23.270 -20.131 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.954 22.371 -16.271 1.00 0.00 H new ATOM 0 HH TYR A 66 2.771 24.236 -16.714 1.00 0.00 H new ATOM 738 N ASP A 67 5.017 19.315 -22.833 1.00 0.00 N ATOM 739 CA ASP A 67 4.635 19.749 -24.180 1.00 0.00 C ATOM 740 C ASP A 67 3.468 20.759 -24.161 1.00 0.00 C ATOM 741 O ASP A 67 2.456 20.556 -23.486 1.00 0.00 O ATOM 742 CB ASP A 67 4.299 18.542 -25.071 1.00 0.00 C ATOM 743 CG ASP A 67 4.413 18.893 -26.564 1.00 0.00 C ATOM 744 OD1 ASP A 67 3.717 19.836 -27.009 1.00 0.00 O ATOM 745 OD2 ASP A 67 5.231 18.259 -27.272 1.00 0.00 O ATOM 0 H ASP A 67 4.773 18.346 -22.629 1.00 0.00 H new ATOM 0 HA ASP A 67 5.497 20.264 -24.604 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.973 17.718 -24.838 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.288 18.198 -24.853 1.00 0.00 H new ATOM 750 N GLN A 68 3.589 21.823 -24.961 1.00 0.00 N ATOM 751 CA GLN A 68 2.538 22.824 -25.205 1.00 0.00 C ATOM 752 C GLN A 68 1.186 22.204 -25.617 1.00 0.00 C ATOM 753 O GLN A 68 0.128 22.717 -25.248 1.00 0.00 O ATOM 754 CB GLN A 68 2.961 23.790 -26.337 1.00 0.00 C ATOM 755 CG GLN A 68 4.447 24.191 -26.386 1.00 0.00 C ATOM 756 CD GLN A 68 5.261 23.495 -27.490 1.00 0.00 C ATOM 757 OE1 GLN A 68 6.065 24.123 -28.167 1.00 0.00 O ATOM 758 NE2 GLN A 68 5.140 22.201 -27.737 1.00 0.00 N ATOM 0 H GLN A 68 4.448 22.020 -25.475 1.00 0.00 H new ATOM 0 HA GLN A 68 2.411 23.345 -24.256 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.701 23.331 -27.291 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.366 24.699 -26.248 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.514 25.270 -26.528 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.902 23.968 -25.421 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.482 21.638 -27.197 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.704 21.766 -28.467 1.00 0.00 H new ATOM 767 N GLN A 69 1.223 21.117 -26.400 1.00 0.00 N ATOM 768 CA GLN A 69 0.048 20.458 -26.976 1.00 0.00 C ATOM 769 C GLN A 69 -0.506 19.331 -26.087 1.00 0.00 C ATOM 770 O GLN A 69 -1.671 18.953 -26.225 1.00 0.00 O ATOM 771 CB GLN A 69 0.396 19.927 -28.381 1.00 0.00 C ATOM 772 CG GLN A 69 1.082 20.939 -29.323 1.00 0.00 C ATOM 773 CD GLN A 69 0.334 22.262 -29.513 1.00 0.00 C ATOM 774 OE1 GLN A 69 -0.880 22.372 -29.377 1.00 0.00 O ATOM 775 NE2 GLN A 69 1.033 23.328 -29.850 1.00 0.00 N ATOM 0 H GLN A 69 2.098 20.660 -26.656 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.745 21.203 -27.047 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.047 19.060 -28.272 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.521 19.579 -28.856 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.078 21.155 -28.935 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.214 20.471 -30.299 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.044 23.259 -29.968 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.563 24.222 -29.992 1.00 0.00 H new ATOM 784 N GLU A 70 0.308 18.797 -25.169 1.00 0.00 N ATOM 785 CA GLU A 70 -0.084 17.739 -24.230 1.00 0.00 C ATOM 786 C GLU A 70 0.751 17.776 -22.941 1.00 0.00 C ATOM 787 O GLU A 70 1.875 17.276 -22.874 1.00 0.00 O ATOM 788 CB GLU A 70 -0.046 16.339 -24.880 1.00 0.00 C ATOM 789 CG GLU A 70 1.081 16.096 -25.903 1.00 0.00 C ATOM 790 CD GLU A 70 0.996 14.697 -26.550 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.086 14.313 -27.062 1.00 0.00 O ATOM 792 OE2 GLU A 70 2.028 13.986 -26.617 1.00 0.00 O ATOM 0 H GLU A 70 1.277 19.094 -25.056 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.120 17.940 -23.955 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.044 15.595 -24.088 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.002 16.164 -25.374 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.032 16.857 -26.682 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.046 16.207 -25.409 1.00 0.00 H new ATOM 799 N GLN A 71 0.147 18.307 -21.874 1.00 0.00 N ATOM 800 CA GLN A 71 0.750 18.407 -20.541 1.00 0.00 C ATOM 801 C GLN A 71 1.134 17.035 -19.951 1.00 0.00 C ATOM 802 O GLN A 71 1.947 16.974 -19.027 1.00 0.00 O ATOM 803 CB GLN A 71 -0.211 19.137 -19.583 1.00 0.00 C ATOM 804 CG GLN A 71 -0.464 20.621 -19.923 1.00 0.00 C ATOM 805 CD GLN A 71 -1.438 20.892 -21.076 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.105 20.015 -21.615 1.00 0.00 O ATOM 807 NE2 GLN A 71 -1.565 22.131 -21.504 1.00 0.00 N ATOM 0 H GLN A 71 -0.798 18.689 -21.914 1.00 0.00 H new ATOM 0 HA GLN A 71 1.673 18.976 -20.653 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.166 18.612 -19.580 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.190 19.074 -18.572 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.843 21.118 -19.030 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.492 21.085 -20.165 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.021 22.878 -21.072 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.207 22.344 -22.267 1.00 0.00 H new ATOM 816 N HIS A 72 0.588 15.935 -20.490 1.00 0.00 N ATOM 817 CA HIS A 72 0.925 14.572 -20.071 1.00 0.00 C ATOM 818 C HIS A 72 2.338 14.139 -20.508 1.00 0.00 C ATOM 819 O HIS A 72 2.899 13.218 -19.911 1.00 0.00 O ATOM 820 CB HIS A 72 -0.157 13.575 -20.539 1.00 0.00 C ATOM 821 CG HIS A 72 0.248 12.728 -21.724 1.00 0.00 C ATOM 822 ND1 HIS A 72 0.497 13.205 -23.012 1.00 0.00 N ATOM 823 CD2 HIS A 72 0.575 11.403 -21.677 1.00 0.00 C ATOM 824 CE1 HIS A 72 0.976 12.161 -23.708 1.00 0.00 C ATOM 825 NE2 HIS A 72 1.022 11.062 -22.935 1.00 0.00 N ATOM 0 H HIS A 72 -0.106 15.970 -21.236 1.00 0.00 H new ATOM 0 HA HIS A 72 0.942 14.568 -18.981 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.413 12.918 -19.708 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.059 14.130 -20.795 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.498 10.750 -20.821 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.281 12.199 -24.743 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.334 10.136 -23.229 1.00 0.00 H new ATOM 833 N MET A 73 2.905 14.788 -21.532 1.00 0.00 N ATOM 834 CA MET A 73 4.226 14.505 -22.096 1.00 0.00 C ATOM 835 C MET A 73 5.262 15.459 -21.494 1.00 0.00 C ATOM 836 O MET A 73 5.091 16.676 -21.559 1.00 0.00 O ATOM 837 CB MET A 73 4.157 14.639 -23.625 1.00 0.00 C ATOM 838 CG MET A 73 5.498 14.377 -24.316 1.00 0.00 C ATOM 839 SD MET A 73 6.185 12.722 -24.039 1.00 0.00 S ATOM 840 CE MET A 73 7.678 12.862 -25.053 1.00 0.00 C ATOM 0 H MET A 73 2.434 15.557 -22.009 1.00 0.00 H new ATOM 0 HA MET A 73 4.531 13.487 -21.852 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.414 13.941 -24.011 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.814 15.642 -23.880 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.374 14.529 -25.388 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.220 15.117 -23.970 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.201 11.906 -25.064 1.00 0.00 H new ATOM 0 HE2 MET A 73 7.402 13.137 -26.071 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.331 13.628 -24.635 1.00 0.00 H new ATOM 850 N VAL A 74 6.341 14.922 -20.921 1.00 0.00 N ATOM 851 CA VAL A 74 7.325 15.662 -20.116 1.00 0.00 C ATOM 852 C VAL A 74 8.723 15.525 -20.726 1.00 0.00 C ATOM 853 O VAL A 74 9.250 14.419 -20.853 1.00 0.00 O ATOM 854 CB VAL A 74 7.314 15.168 -18.653 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.257 16.014 -17.789 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.912 15.252 -18.030 1.00 0.00 C ATOM 0 H VAL A 74 6.564 13.930 -21.005 1.00 0.00 H new ATOM 0 HA VAL A 74 7.051 16.717 -20.118 1.00 0.00 H new ATOM 0 HB VAL A 74 7.640 14.128 -18.677 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.235 15.650 -16.762 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.272 15.939 -18.178 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.935 17.055 -17.812 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.949 14.895 -17.001 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.569 16.287 -18.043 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.221 14.634 -18.604 1.00 0.00 H new ATOM 866 N TYR A 75 9.344 16.649 -21.085 1.00 0.00 N ATOM 867 CA TYR A 75 10.740 16.718 -21.525 1.00 0.00 C ATOM 868 C TYR A 75 11.696 16.912 -20.334 1.00 0.00 C ATOM 869 O TYR A 75 11.282 17.243 -19.223 1.00 0.00 O ATOM 870 CB TYR A 75 10.902 17.820 -22.583 1.00 0.00 C ATOM 871 CG TYR A 75 10.046 17.543 -23.797 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.338 16.416 -24.584 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.917 18.335 -24.082 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.483 16.051 -25.633 1.00 0.00 C ATOM 875 CE2 TYR A 75 8.077 17.990 -25.158 1.00 0.00 C ATOM 876 CZ TYR A 75 8.347 16.837 -25.931 1.00 0.00 C ATOM 877 OH TYR A 75 7.522 16.479 -26.953 1.00 0.00 O ATOM 0 H TYR A 75 8.881 17.558 -21.078 1.00 0.00 H new ATOM 0 HA TYR A 75 11.010 15.767 -21.985 1.00 0.00 H new ATOM 0 HB2 TYR A 75 10.627 18.783 -22.153 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.948 17.891 -22.881 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.222 15.830 -24.380 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.697 19.203 -23.478 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.693 15.166 -26.215 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.223 18.608 -25.394 1.00 0.00 H new ATOM 0 HH TYR A 75 6.763 17.098 -26.993 1.00 0.00 H new ATOM 887 N CYS A 76 12.991 16.699 -20.571 1.00 0.00 N ATOM 888 CA CYS A 76 14.065 16.779 -19.572 1.00 0.00 C ATOM 889 C CYS A 76 15.426 17.173 -20.179 1.00 0.00 C ATOM 890 O CYS A 76 16.474 16.830 -19.631 1.00 0.00 O ATOM 891 CB CYS A 76 14.126 15.431 -18.838 1.00 0.00 C ATOM 892 SG CYS A 76 13.165 15.530 -17.308 1.00 0.00 S ATOM 0 H CYS A 76 13.337 16.456 -21.499 1.00 0.00 H new ATOM 0 HA CYS A 76 13.838 17.579 -18.867 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.733 14.640 -19.476 1.00 0.00 H new ATOM 0 HB3 CYS A 76 15.161 15.174 -18.613 1.00 0.00 H new ATOM 0 HG CYS A 76 12.092 16.235 -17.514 1.00 0.00 H new ATOM 898 N GLY A 77 15.434 17.848 -21.333 1.00 0.00 N ATOM 899 CA GLY A 77 16.659 18.119 -22.090 1.00 0.00 C ATOM 900 C GLY A 77 17.658 18.982 -21.311 1.00 0.00 C ATOM 901 O GLY A 77 17.424 20.173 -21.091 1.00 0.00 O ATOM 0 H GLY A 77 14.591 18.222 -21.768 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.132 17.174 -22.357 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.401 18.621 -23.022 1.00 0.00 H new ATOM 905 N GLY A 78 18.761 18.365 -20.873 1.00 0.00 N ATOM 906 CA GLY A 78 19.782 18.992 -20.028 1.00 0.00 C ATOM 907 C GLY A 78 19.350 19.268 -18.577 1.00 0.00 C ATOM 908 O GLY A 78 20.031 20.032 -17.890 1.00 0.00 O ATOM 0 H GLY A 78 18.973 17.394 -21.102 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.663 18.350 -20.012 1.00 0.00 H new ATOM 0 HA3 GLY A 78 20.082 19.934 -20.487 1.00 0.00 H new ATOM 912 N ASP A 79 18.240 18.692 -18.092 1.00 0.00 N ATOM 913 CA ASP A 79 17.748 18.898 -16.731 1.00 0.00 C ATOM 914 C ASP A 79 18.325 17.831 -15.779 1.00 0.00 C ATOM 915 O ASP A 79 18.535 16.665 -16.144 1.00 0.00 O ATOM 916 CB ASP A 79 16.208 18.943 -16.747 1.00 0.00 C ATOM 917 CG ASP A 79 15.633 19.558 -15.463 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.542 18.828 -14.454 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.302 20.767 -15.437 1.00 0.00 O ATOM 0 H ASP A 79 17.656 18.064 -18.644 1.00 0.00 H new ATOM 0 HA ASP A 79 18.093 19.857 -16.344 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.872 19.522 -17.607 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.818 17.933 -16.870 1.00 0.00 H new ATOM 924 N LEU A 80 18.542 18.214 -14.520 1.00 0.00 N ATOM 925 CA LEU A 80 18.948 17.285 -13.465 1.00 0.00 C ATOM 926 C LEU A 80 17.929 16.147 -13.273 1.00 0.00 C ATOM 927 O LEU A 80 18.302 15.049 -12.866 1.00 0.00 O ATOM 928 CB LEU A 80 19.261 18.037 -12.166 1.00 0.00 C ATOM 929 CG LEU A 80 20.459 19.001 -12.252 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.640 19.699 -10.903 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.775 18.295 -12.593 1.00 0.00 C ATOM 0 H LEU A 80 18.441 19.178 -14.203 1.00 0.00 H new ATOM 0 HA LEU A 80 19.872 16.800 -13.780 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.378 18.602 -11.868 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.454 17.309 -11.378 1.00 0.00 H new ATOM 0 HG LEU A 80 20.236 19.707 -13.052 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.487 20.383 -10.958 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.737 20.259 -10.659 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.825 18.954 -10.130 1.00 0.00 H new ATOM 0 HD21 LEU A 80 22.580 19.028 -12.639 1.00 0.00 H new ATOM 0 HD22 LEU A 80 22.001 17.556 -11.825 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.682 17.798 -13.559 1.00 0.00 H new ATOM 943 N LEU A 81 16.650 16.374 -13.584 1.00 0.00 N ATOM 944 CA LEU A 81 15.649 15.310 -13.632 1.00 0.00 C ATOM 945 C LEU A 81 15.922 14.293 -14.757 1.00 0.00 C ATOM 946 O LEU A 81 15.752 13.095 -14.545 1.00 0.00 O ATOM 947 CB LEU A 81 14.261 15.950 -13.773 1.00 0.00 C ATOM 948 CG LEU A 81 13.104 14.931 -13.743 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.048 14.173 -12.415 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.762 15.635 -13.932 1.00 0.00 C ATOM 0 H LEU A 81 16.282 17.298 -13.809 1.00 0.00 H new ATOM 0 HA LEU A 81 15.699 14.740 -12.704 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.119 16.671 -12.968 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.220 16.506 -14.710 1.00 0.00 H new ATOM 0 HG LEU A 81 13.289 14.229 -14.556 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.219 13.465 -12.435 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.983 13.633 -12.265 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.902 14.880 -11.598 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.958 14.899 -13.908 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.615 16.359 -13.131 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.753 16.150 -14.893 1.00 0.00 H new ATOM 962 N GLY A 82 16.405 14.741 -15.920 1.00 0.00 N ATOM 963 CA GLY A 82 16.871 13.860 -16.996 1.00 0.00 C ATOM 964 C GLY A 82 18.118 13.072 -16.602 1.00 0.00 C ATOM 965 O GLY A 82 18.198 11.873 -16.872 1.00 0.00 O ATOM 0 H GLY A 82 16.484 15.733 -16.143 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.075 13.165 -17.264 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.086 14.456 -17.883 1.00 0.00 H new ATOM 969 N GLU A 83 19.052 13.697 -15.878 1.00 0.00 N ATOM 970 CA GLU A 83 20.198 13.020 -15.286 1.00 0.00 C ATOM 971 C GLU A 83 19.759 11.960 -14.244 1.00 0.00 C ATOM 972 O GLU A 83 20.304 10.853 -14.214 1.00 0.00 O ATOM 973 CB GLU A 83 21.062 14.144 -14.707 1.00 0.00 C ATOM 974 CG GLU A 83 22.212 13.714 -13.819 1.00 0.00 C ATOM 975 CD GLU A 83 23.411 13.159 -14.614 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.328 12.032 -15.160 1.00 0.00 O ATOM 977 OE2 GLU A 83 24.458 13.848 -14.698 1.00 0.00 O ATOM 0 H GLU A 83 19.028 14.699 -15.687 1.00 0.00 H new ATOM 0 HA GLU A 83 20.768 12.440 -16.012 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.467 14.726 -15.535 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.418 14.811 -14.134 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.541 14.565 -13.222 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.861 12.953 -13.122 1.00 0.00 H new ATOM 984 N LEU A 84 18.730 12.255 -13.436 1.00 0.00 N ATOM 985 CA LEU A 84 18.183 11.347 -12.420 1.00 0.00 C ATOM 986 C LEU A 84 17.439 10.138 -13.027 1.00 0.00 C ATOM 987 O LEU A 84 17.651 9.003 -12.595 1.00 0.00 O ATOM 988 CB LEU A 84 17.274 12.164 -11.478 1.00 0.00 C ATOM 989 CG LEU A 84 16.580 11.366 -10.355 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.565 10.679 -9.410 1.00 0.00 C ATOM 991 CD2 LEU A 84 15.708 12.312 -9.528 1.00 0.00 C ATOM 0 H LEU A 84 18.245 13.152 -13.472 1.00 0.00 H new ATOM 0 HA LEU A 84 19.011 10.915 -11.858 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.872 12.953 -11.021 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.506 12.653 -12.078 1.00 0.00 H new ATOM 0 HG LEU A 84 15.988 10.591 -10.842 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.014 10.135 -8.643 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.185 9.983 -9.974 1.00 0.00 H new ATOM 0 HD13 LEU A 84 18.199 11.429 -8.938 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.216 11.752 -8.733 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.331 13.092 -9.090 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.955 12.768 -10.171 1.00 0.00 H new ATOM 1003 N LEU A 85 16.579 10.369 -14.026 1.00 0.00 N ATOM 1004 CA LEU A 85 15.774 9.329 -14.693 1.00 0.00 C ATOM 1005 C LEU A 85 16.544 8.564 -15.789 1.00 0.00 C ATOM 1006 O LEU A 85 16.133 7.466 -16.167 1.00 0.00 O ATOM 1007 CB LEU A 85 14.482 9.959 -15.259 1.00 0.00 C ATOM 1008 CG LEU A 85 13.290 9.976 -14.280 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.598 10.625 -12.935 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.123 10.732 -14.913 1.00 0.00 C ATOM 0 H LEU A 85 16.417 11.302 -14.404 1.00 0.00 H new ATOM 0 HA LEU A 85 15.522 8.584 -13.939 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.697 10.983 -15.566 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.190 9.412 -16.156 1.00 0.00 H new ATOM 0 HG LEU A 85 13.048 8.931 -14.088 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.709 10.597 -12.305 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.407 10.082 -12.446 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.899 11.661 -13.091 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.280 10.745 -14.222 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.428 11.755 -15.132 1.00 0.00 H new ATOM 0 HD23 LEU A 85 11.827 10.236 -15.837 1.00 0.00 H new ATOM 1022 N GLY A 86 17.642 9.124 -16.309 1.00 0.00 N ATOM 1023 CA GLY A 86 18.462 8.518 -17.367 1.00 0.00 C ATOM 1024 C GLY A 86 17.916 8.706 -18.792 1.00 0.00 C ATOM 1025 O GLY A 86 18.445 8.101 -19.729 1.00 0.00 O ATOM 0 H GLY A 86 17.994 10.030 -16.000 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.465 8.942 -17.318 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.557 7.451 -17.167 1.00 0.00 H new ATOM 1029 N ARG A 87 16.871 9.532 -18.969 1.00 0.00 N ATOM 1030 CA ARG A 87 16.318 9.942 -20.275 1.00 0.00 C ATOM 1031 C ARG A 87 15.775 11.366 -20.267 1.00 0.00 C ATOM 1032 O ARG A 87 15.340 11.869 -19.235 1.00 0.00 O ATOM 1033 CB ARG A 87 15.255 8.945 -20.785 1.00 0.00 C ATOM 1034 CG ARG A 87 14.080 8.679 -19.827 1.00 0.00 C ATOM 1035 CD ARG A 87 13.086 7.684 -20.444 1.00 0.00 C ATOM 1036 NE ARG A 87 13.583 6.293 -20.405 1.00 0.00 N ATOM 1037 CZ ARG A 87 12.917 5.210 -20.768 1.00 0.00 C ATOM 1038 NH1 ARG A 87 11.681 5.256 -21.179 1.00 0.00 N ATOM 1039 NH2 ARG A 87 13.486 4.040 -20.718 1.00 0.00 N ATOM 0 H ARG A 87 16.371 9.947 -18.183 1.00 0.00 H new ATOM 0 HA ARG A 87 17.155 9.928 -20.974 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.855 9.319 -21.727 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.746 7.996 -21.001 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.457 8.285 -18.883 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.570 9.616 -19.601 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.138 7.743 -19.909 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.887 7.967 -21.478 1.00 0.00 H new ATOM 0 HE ARG A 87 14.534 6.155 -20.064 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.193 6.150 -21.229 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.202 4.398 -21.450 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.451 3.955 -20.397 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.967 3.208 -20.999 1.00 0.00 H new ATOM 1053 N GLN A 88 15.748 11.990 -21.446 1.00 0.00 N ATOM 1054 CA GLN A 88 15.325 13.387 -21.634 1.00 0.00 C ATOM 1055 C GLN A 88 13.861 13.549 -22.056 1.00 0.00 C ATOM 1056 O GLN A 88 13.421 14.642 -22.412 1.00 0.00 O ATOM 1057 CB GLN A 88 16.331 14.139 -22.513 1.00 0.00 C ATOM 1058 CG GLN A 88 17.698 14.137 -21.811 1.00 0.00 C ATOM 1059 CD GLN A 88 18.649 13.053 -22.325 1.00 0.00 C ATOM 1060 OE1 GLN A 88 18.830 12.005 -21.718 1.00 0.00 O ATOM 1061 NE2 GLN A 88 19.283 13.249 -23.463 1.00 0.00 N ATOM 0 H GLN A 88 16.024 11.534 -22.316 1.00 0.00 H new ATOM 0 HA GLN A 88 15.341 13.866 -20.655 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.408 13.663 -23.491 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.995 15.162 -22.682 1.00 0.00 H new ATOM 0 HG2 GLN A 88 18.167 15.112 -21.943 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.547 13.998 -20.740 1.00 0.00 H new ATOM 0 HE21 GLN A 88 19.144 14.116 -23.982 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.913 12.533 -23.826 1.00 0.00 H new ATOM 1070 N SER A 89 13.101 12.463 -21.962 1.00 0.00 N ATOM 1071 CA SER A 89 11.634 12.471 -22.093 1.00 0.00 C ATOM 1072 C SER A 89 10.948 11.272 -21.422 1.00 0.00 C ATOM 1073 O SER A 89 11.476 10.159 -21.413 1.00 0.00 O ATOM 1074 CB SER A 89 11.193 12.590 -23.558 1.00 0.00 C ATOM 1075 OG SER A 89 11.686 11.517 -24.350 1.00 0.00 O ATOM 0 H SER A 89 13.485 11.534 -21.790 1.00 0.00 H new ATOM 0 HA SER A 89 11.305 13.360 -21.555 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.104 12.608 -23.609 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.547 13.536 -23.968 1.00 0.00 H new ATOM 0 HG SER A 89 11.383 11.627 -25.275 1.00 0.00 H new ATOM 1081 N PHE A 90 9.763 11.508 -20.854 1.00 0.00 N ATOM 1082 CA PHE A 90 8.842 10.509 -20.289 1.00 0.00 C ATOM 1083 C PHE A 90 7.404 11.068 -20.299 1.00 0.00 C ATOM 1084 O PHE A 90 7.188 12.220 -20.678 1.00 0.00 O ATOM 1085 CB PHE A 90 9.295 10.111 -18.871 1.00 0.00 C ATOM 1086 CG PHE A 90 9.215 11.198 -17.815 1.00 0.00 C ATOM 1087 CD1 PHE A 90 10.279 12.107 -17.655 1.00 0.00 C ATOM 1088 CD2 PHE A 90 8.096 11.272 -16.961 1.00 0.00 C ATOM 1089 CE1 PHE A 90 10.224 13.081 -16.642 1.00 0.00 C ATOM 1090 CE2 PHE A 90 8.044 12.245 -15.947 1.00 0.00 C ATOM 1091 CZ PHE A 90 9.112 13.144 -15.784 1.00 0.00 C ATOM 0 H PHE A 90 9.396 12.456 -20.769 1.00 0.00 H new ATOM 0 HA PHE A 90 8.856 9.606 -20.900 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.689 9.267 -18.541 1.00 0.00 H new ATOM 0 HB3 PHE A 90 10.326 9.761 -18.926 1.00 0.00 H new ATOM 0 HD1 PHE A 90 11.136 12.056 -18.310 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.277 10.580 -17.086 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.037 13.782 -16.523 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.185 12.301 -15.295 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.078 13.884 -14.998 1.00 0.00 H new ATOM 1101 N SER A 91 6.395 10.287 -19.905 1.00 0.00 N ATOM 1102 CA SER A 91 5.004 10.760 -19.864 1.00 0.00 C ATOM 1103 C SER A 91 4.171 10.092 -18.766 1.00 0.00 C ATOM 1104 O SER A 91 4.617 9.150 -18.113 1.00 0.00 O ATOM 1105 CB SER A 91 4.361 10.546 -21.239 1.00 0.00 C ATOM 1106 OG SER A 91 3.947 9.200 -21.397 1.00 0.00 O ATOM 0 H SER A 91 6.514 9.319 -19.608 1.00 0.00 H new ATOM 0 HA SER A 91 5.024 11.822 -19.618 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.504 11.210 -21.352 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.072 10.807 -22.023 1.00 0.00 H new ATOM 0 HG SER A 91 3.538 9.085 -22.280 1.00 0.00 H new ATOM 1112 N VAL A 92 2.922 10.535 -18.597 1.00 0.00 N ATOM 1113 CA VAL A 92 1.926 9.865 -17.733 1.00 0.00 C ATOM 1114 C VAL A 92 1.531 8.468 -18.274 1.00 0.00 C ATOM 1115 O VAL A 92 1.076 7.619 -17.507 1.00 0.00 O ATOM 1116 CB VAL A 92 0.709 10.796 -17.519 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.397 10.195 -16.643 1.00 0.00 C ATOM 1118 CG2 VAL A 92 1.141 12.113 -16.851 1.00 0.00 C ATOM 0 H VAL A 92 2.564 11.373 -19.055 1.00 0.00 H new ATOM 0 HA VAL A 92 2.377 9.677 -16.759 1.00 0.00 H new ATOM 0 HB VAL A 92 0.309 10.955 -18.520 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.212 10.912 -16.543 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.771 9.282 -17.105 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.005 9.964 -15.657 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.270 12.752 -16.710 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.594 11.899 -15.883 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.866 12.622 -17.486 1.00 0.00 H new ATOM 1128 N LYS A 93 1.761 8.190 -19.572 1.00 0.00 N ATOM 1129 CA LYS A 93 1.614 6.855 -20.201 1.00 0.00 C ATOM 1130 C LYS A 93 2.905 6.015 -20.168 1.00 0.00 C ATOM 1131 O LYS A 93 2.832 4.788 -20.240 1.00 0.00 O ATOM 1132 CB LYS A 93 1.091 7.007 -21.646 1.00 0.00 C ATOM 1133 CG LYS A 93 -0.436 6.880 -21.778 1.00 0.00 C ATOM 1134 CD LYS A 93 -1.232 7.946 -21.006 1.00 0.00 C ATOM 1135 CE LYS A 93 -2.737 7.901 -21.322 1.00 0.00 C ATOM 1136 NZ LYS A 93 -3.399 6.663 -20.822 1.00 0.00 N ATOM 0 H LYS A 93 2.063 8.905 -20.234 1.00 0.00 H new ATOM 0 HA LYS A 93 0.886 6.304 -19.605 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.399 7.979 -22.032 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.563 6.251 -22.273 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.703 6.938 -22.833 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.738 5.893 -21.427 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.084 7.801 -19.936 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.842 8.934 -21.251 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.222 8.771 -20.879 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.879 7.972 -22.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.410 6.688 -21.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.958 5.831 -21.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.291 6.604 -19.789 1.00 0.00 H new ATOM 1150 N ASP A 94 4.065 6.654 -20.008 1.00 0.00 N ATOM 1151 CA ASP A 94 5.386 6.033 -19.827 1.00 0.00 C ATOM 1152 C ASP A 94 6.068 6.482 -18.506 1.00 0.00 C ATOM 1153 O ASP A 94 7.135 7.105 -18.544 1.00 0.00 O ATOM 1154 CB ASP A 94 6.231 6.325 -21.082 1.00 0.00 C ATOM 1155 CG ASP A 94 7.607 5.629 -21.065 1.00 0.00 C ATOM 1156 OD1 ASP A 94 7.683 4.439 -20.672 1.00 0.00 O ATOM 1157 OD2 ASP A 94 8.609 6.250 -21.496 1.00 0.00 O ATOM 0 H ASP A 94 4.115 7.673 -20.000 1.00 0.00 H new ATOM 0 HA ASP A 94 5.279 4.953 -19.723 1.00 0.00 H new ATOM 0 HB2 ASP A 94 5.680 6.004 -21.966 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.377 7.402 -21.171 1.00 0.00 H new ATOM 1162 N PRO A 95 5.470 6.211 -17.322 1.00 0.00 N ATOM 1163 CA PRO A 95 5.983 6.677 -16.028 1.00 0.00 C ATOM 1164 C PRO A 95 7.084 5.780 -15.436 1.00 0.00 C ATOM 1165 O PRO A 95 7.657 6.110 -14.398 1.00 0.00 O ATOM 1166 CB PRO A 95 4.750 6.716 -15.127 1.00 0.00 C ATOM 1167 CG PRO A 95 3.957 5.502 -15.608 1.00 0.00 C ATOM 1168 CD PRO A 95 4.184 5.550 -17.118 1.00 0.00 C ATOM 0 HA PRO A 95 6.471 7.646 -16.131 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.014 6.637 -14.072 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.188 7.642 -15.247 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.325 4.575 -15.170 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.900 5.578 -15.352 1.00 0.00 H new ATOM 0 HD2 PRO A 95 4.192 4.546 -17.541 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.383 6.098 -17.614 1.00 0.00 H new ATOM 1176 N SER A 96 7.397 4.650 -16.078 1.00 0.00 N ATOM 1177 CA SER A 96 8.365 3.638 -15.622 1.00 0.00 C ATOM 1178 C SER A 96 9.722 4.177 -15.124 1.00 0.00 C ATOM 1179 O SER A 96 10.217 3.623 -14.142 1.00 0.00 O ATOM 1180 CB SER A 96 8.597 2.602 -16.731 1.00 0.00 C ATOM 1181 OG SER A 96 7.355 2.055 -17.160 1.00 0.00 O ATOM 0 H SER A 96 6.966 4.402 -16.968 1.00 0.00 H new ATOM 0 HA SER A 96 7.902 3.190 -14.743 1.00 0.00 H new ATOM 0 HB2 SER A 96 9.108 3.068 -17.573 1.00 0.00 H new ATOM 0 HB3 SER A 96 9.246 1.806 -16.366 1.00 0.00 H new ATOM 0 HG SER A 96 7.515 1.397 -17.868 1.00 0.00 H new ATOM 1187 N PRO A 97 10.322 5.257 -15.681 1.00 0.00 N ATOM 1188 CA PRO A 97 11.571 5.821 -15.153 1.00 0.00 C ATOM 1189 C PRO A 97 11.495 6.292 -13.689 1.00 0.00 C ATOM 1190 O PRO A 97 12.483 6.179 -12.969 1.00 0.00 O ATOM 1191 CB PRO A 97 11.923 6.982 -16.088 1.00 0.00 C ATOM 1192 CG PRO A 97 11.272 6.582 -17.407 1.00 0.00 C ATOM 1193 CD PRO A 97 9.987 5.914 -16.941 1.00 0.00 C ATOM 0 HA PRO A 97 12.336 5.045 -15.131 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.531 7.929 -15.718 1.00 0.00 H new ATOM 0 HB3 PRO A 97 13.001 7.102 -16.192 1.00 0.00 H new ATOM 0 HG2 PRO A 97 11.075 7.446 -18.042 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.900 5.901 -17.981 1.00 0.00 H new ATOM 0 HD2 PRO A 97 9.192 6.647 -16.802 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.631 5.193 -17.677 1.00 0.00 H new ATOM 1201 N LEU A 98 10.330 6.770 -13.228 1.00 0.00 N ATOM 1202 CA LEU A 98 10.066 7.165 -11.832 1.00 0.00 C ATOM 1203 C LEU A 98 10.108 5.926 -10.920 1.00 0.00 C ATOM 1204 O LEU A 98 10.885 5.842 -9.957 1.00 0.00 O ATOM 1205 CB LEU A 98 8.691 7.881 -11.824 1.00 0.00 C ATOM 1206 CG LEU A 98 8.212 8.577 -10.534 1.00 0.00 C ATOM 1207 CD1 LEU A 98 6.891 9.286 -10.829 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.945 7.628 -9.367 1.00 0.00 C ATOM 0 H LEU A 98 9.519 6.897 -13.833 1.00 0.00 H new ATOM 0 HA LEU A 98 10.824 7.845 -11.443 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.707 8.631 -12.615 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.936 7.144 -12.099 1.00 0.00 H new ATOM 0 HG LEU A 98 9.018 9.250 -10.240 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.536 9.785 -9.927 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.042 10.025 -11.616 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.151 8.555 -11.155 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.612 8.201 -8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.171 6.914 -9.649 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.861 7.092 -9.117 1.00 0.00 H new ATOM 1220 N TYR A 99 9.298 4.926 -11.272 1.00 0.00 N ATOM 1221 CA TYR A 99 9.214 3.686 -10.510 1.00 0.00 C ATOM 1222 C TYR A 99 10.555 2.950 -10.488 1.00 0.00 C ATOM 1223 O TYR A 99 10.939 2.440 -9.443 1.00 0.00 O ATOM 1224 CB TYR A 99 8.093 2.795 -11.059 1.00 0.00 C ATOM 1225 CG TYR A 99 6.702 3.383 -10.900 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.081 3.381 -9.634 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.029 3.928 -12.010 1.00 0.00 C ATOM 1228 CE1 TYR A 99 4.792 3.928 -9.476 1.00 0.00 C ATOM 1229 CE2 TYR A 99 4.740 4.472 -11.857 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.117 4.478 -10.590 1.00 0.00 C ATOM 1231 OH TYR A 99 2.872 5.014 -10.452 1.00 0.00 O ATOM 0 H TYR A 99 8.687 4.955 -12.088 1.00 0.00 H new ATOM 0 HA TYR A 99 8.972 3.938 -9.478 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.278 2.607 -12.117 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.129 1.831 -10.552 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.595 2.959 -8.783 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.503 3.929 -12.981 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.320 3.927 -8.505 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.226 4.886 -12.712 1.00 0.00 H new ATOM 0 HH TYR A 99 2.561 5.346 -11.320 1.00 0.00 H new ATOM 1241 N ASP A 100 11.324 2.975 -11.579 1.00 0.00 N ATOM 1242 CA ASP A 100 12.682 2.428 -11.609 1.00 0.00 C ATOM 1243 C ASP A 100 13.635 3.176 -10.667 1.00 0.00 C ATOM 1244 O ASP A 100 14.368 2.553 -9.899 1.00 0.00 O ATOM 1245 CB ASP A 100 13.232 2.466 -13.037 1.00 0.00 C ATOM 1246 CG ASP A 100 14.596 1.763 -13.114 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.662 0.549 -12.803 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.606 2.431 -13.444 1.00 0.00 O ATOM 0 H ASP A 100 11.022 3.375 -12.467 1.00 0.00 H new ATOM 0 HA ASP A 100 12.620 1.397 -11.261 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.529 1.982 -13.715 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.332 3.500 -13.366 1.00 0.00 H new ATOM 1253 N MET A 101 13.590 4.511 -10.682 1.00 0.00 N ATOM 1254 CA MET A 101 14.374 5.396 -9.831 1.00 0.00 C ATOM 1255 C MET A 101 14.151 5.082 -8.345 1.00 0.00 C ATOM 1256 O MET A 101 15.117 5.099 -7.581 1.00 0.00 O ATOM 1257 CB MET A 101 13.999 6.846 -10.225 1.00 0.00 C ATOM 1258 CG MET A 101 13.987 7.856 -9.084 1.00 0.00 C ATOM 1259 SD MET A 101 13.144 9.417 -9.461 1.00 0.00 S ATOM 1260 CE MET A 101 11.547 9.091 -8.652 1.00 0.00 C ATOM 0 H MET A 101 12.977 5.022 -11.317 1.00 0.00 H new ATOM 0 HA MET A 101 15.444 5.252 -9.981 1.00 0.00 H new ATOM 0 HB2 MET A 101 14.701 7.190 -10.984 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.012 6.834 -10.686 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.507 7.400 -8.218 1.00 0.00 H new ATOM 0 HG3 MET A 101 15.016 8.074 -8.800 1.00 0.00 H new ATOM 0 HE1 MET A 101 10.924 9.984 -8.704 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.044 8.267 -9.158 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.715 8.826 -7.608 1.00 0.00 H new ATOM 1270 N LEU A 102 12.912 4.766 -7.934 1.00 0.00 N ATOM 1271 CA LEU A 102 12.648 4.367 -6.540 1.00 0.00 C ATOM 1272 C LEU A 102 12.861 2.870 -6.251 1.00 0.00 C ATOM 1273 O LEU A 102 13.481 2.555 -5.237 1.00 0.00 O ATOM 1274 CB LEU A 102 11.332 4.980 -6.025 1.00 0.00 C ATOM 1275 CG LEU A 102 10.036 4.689 -6.803 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.369 3.368 -6.428 1.00 0.00 C ATOM 1277 CD2 LEU A 102 9.035 5.804 -6.509 1.00 0.00 C ATOM 0 H LEU A 102 12.088 4.778 -8.536 1.00 0.00 H new ATOM 0 HA LEU A 102 13.430 4.809 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.187 4.641 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.461 6.062 -5.988 1.00 0.00 H new ATOM 0 HG LEU A 102 10.315 4.629 -7.855 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.463 3.237 -7.020 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.055 2.545 -6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.112 3.378 -5.369 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.109 5.615 -7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.828 5.834 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.452 6.760 -6.825 1.00 0.00 H new ATOM 1289 N ARG A 103 12.461 1.942 -7.135 1.00 0.00 N ATOM 1290 CA ARG A 103 12.505 0.479 -6.878 1.00 0.00 C ATOM 1291 C ARG A 103 13.920 -0.064 -6.693 1.00 0.00 C ATOM 1292 O ARG A 103 14.131 -1.026 -5.956 1.00 0.00 O ATOM 1293 CB ARG A 103 11.754 -0.292 -7.987 1.00 0.00 C ATOM 1294 CG ARG A 103 12.468 -0.400 -9.344 1.00 0.00 C ATOM 1295 CD ARG A 103 13.354 -1.637 -9.548 1.00 0.00 C ATOM 1296 NE ARG A 103 14.175 -1.482 -10.766 1.00 0.00 N ATOM 1297 CZ ARG A 103 15.037 -2.340 -11.276 1.00 0.00 C ATOM 1298 NH1 ARG A 103 15.276 -3.506 -10.746 1.00 0.00 N ATOM 1299 NH2 ARG A 103 15.676 -2.001 -12.353 1.00 0.00 N ATOM 0 H ARG A 103 12.094 2.179 -8.057 1.00 0.00 H new ATOM 0 HA ARG A 103 11.997 0.318 -5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.551 -1.300 -7.626 1.00 0.00 H new ATOM 0 HB3 ARG A 103 10.789 0.190 -8.145 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.713 -0.386 -10.130 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.085 0.489 -9.478 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.000 -1.778 -8.681 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.733 -2.529 -9.631 1.00 0.00 H new ATOM 0 HE ARG A 103 14.062 -0.605 -11.274 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.786 -3.791 -9.898 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.953 -4.134 -11.179 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.505 -1.092 -12.782 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.349 -2.644 -12.770 1.00 0.00 H new ATOM 1313 N LYS A 104 14.892 0.569 -7.361 1.00 0.00 N ATOM 1314 CA LYS A 104 16.324 0.261 -7.202 1.00 0.00 C ATOM 1315 C LYS A 104 16.861 0.659 -5.821 1.00 0.00 C ATOM 1316 O LYS A 104 17.856 0.090 -5.370 1.00 0.00 O ATOM 1317 CB LYS A 104 17.129 0.860 -8.367 1.00 0.00 C ATOM 1318 CG LYS A 104 17.454 2.360 -8.241 1.00 0.00 C ATOM 1319 CD LYS A 104 18.172 2.897 -9.491 1.00 0.00 C ATOM 1320 CE LYS A 104 17.220 2.857 -10.692 1.00 0.00 C ATOM 1321 NZ LYS A 104 17.857 3.264 -11.973 1.00 0.00 N ATOM 0 H LYS A 104 14.709 1.315 -8.032 1.00 0.00 H new ATOM 0 HA LYS A 104 16.448 -0.821 -7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.065 0.309 -8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 104 16.572 0.702 -9.291 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.532 2.919 -8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 104 18.080 2.524 -7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.510 3.918 -9.317 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.059 2.298 -9.698 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.825 1.847 -10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.372 3.512 -10.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.214 3.054 -12.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.058 4.284 -11.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.745 2.739 -12.101 1.00 0.00 H new ATOM 1335 N ASN A 105 16.188 1.600 -5.145 1.00 0.00 N ATOM 1336 CA ASN A 105 16.491 1.977 -3.761 1.00 0.00 C ATOM 1337 C ASN A 105 15.692 1.173 -2.705 1.00 0.00 C ATOM 1338 O ASN A 105 16.274 0.291 -2.070 1.00 0.00 O ATOM 1339 CB ASN A 105 16.398 3.499 -3.596 1.00 0.00 C ATOM 1340 CG ASN A 105 17.061 3.918 -2.295 1.00 0.00 C ATOM 1341 OD1 ASN A 105 16.467 3.873 -1.231 1.00 0.00 O ATOM 1342 ND2 ASN A 105 18.317 4.301 -2.329 1.00 0.00 N ATOM 0 H ASN A 105 15.412 2.124 -5.548 1.00 0.00 H new ATOM 0 HA ASN A 105 17.523 1.692 -3.557 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.882 3.995 -4.437 1.00 0.00 H new ATOM 0 HB3 ASN A 105 15.354 3.811 -3.599 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.795 4.560 -1.466 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.815 4.339 -3.219 1.00 0.00 H new ATOM 1349 N LEU A 106 14.393 1.453 -2.491 1.00 0.00 N ATOM 1350 CA LEU A 106 13.584 0.805 -1.446 1.00 0.00 C ATOM 1351 C LEU A 106 12.869 -0.470 -1.937 1.00 0.00 C ATOM 1352 O LEU A 106 12.533 -0.597 -3.116 1.00 0.00 O ATOM 1353 CB LEU A 106 12.630 1.831 -0.791 1.00 0.00 C ATOM 1354 CG LEU A 106 11.275 2.063 -1.491 1.00 0.00 C ATOM 1355 CD1 LEU A 106 10.418 3.042 -0.698 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.394 2.624 -2.905 1.00 0.00 C ATOM 0 H LEU A 106 13.875 2.138 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 106 14.264 0.450 -0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.434 1.509 0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.149 2.787 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 106 10.822 1.073 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.467 3.191 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.235 2.640 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.938 3.996 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.398 2.758 -3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.908 3.585 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.961 1.930 -3.525 1.00 0.00 H new ATOM 1368 N VAL A 107 12.566 -1.392 -1.017 1.00 0.00 N ATOM 1369 CA VAL A 107 11.724 -2.570 -1.303 1.00 0.00 C ATOM 1370 C VAL A 107 10.253 -2.134 -1.323 1.00 0.00 C ATOM 1371 O VAL A 107 9.695 -1.764 -0.288 1.00 0.00 O ATOM 1372 CB VAL A 107 11.976 -3.709 -0.291 1.00 0.00 C ATOM 1373 CG1 VAL A 107 11.124 -4.945 -0.612 1.00 0.00 C ATOM 1374 CG2 VAL A 107 13.448 -4.149 -0.304 1.00 0.00 C ATOM 0 H VAL A 107 12.895 -1.347 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 107 11.987 -2.973 -2.281 1.00 0.00 H new ATOM 0 HB VAL A 107 11.707 -3.312 0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 107 11.327 -5.727 0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 107 10.068 -4.678 -0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 107 11.372 -5.309 -1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 107 13.594 -4.952 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 107 13.713 -4.504 -1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 107 14.083 -3.303 -0.040 1.00 0.00 H new ATOM 1384 N THR A 108 9.632 -2.131 -2.507 1.00 0.00 N ATOM 1385 CA THR A 108 8.251 -1.656 -2.721 1.00 0.00 C ATOM 1386 C THR A 108 7.591 -2.282 -3.963 1.00 0.00 C ATOM 1387 O THR A 108 8.180 -3.131 -4.638 1.00 0.00 O ATOM 1388 CB THR A 108 8.236 -0.113 -2.786 1.00 0.00 C ATOM 1389 OG1 THR A 108 6.932 0.387 -2.568 1.00 0.00 O ATOM 1390 CG2 THR A 108 8.761 0.481 -4.093 1.00 0.00 C ATOM 0 H THR A 108 10.078 -2.463 -3.362 1.00 0.00 H new ATOM 0 HA THR A 108 7.651 -1.983 -1.872 1.00 0.00 H new ATOM 0 HB THR A 108 8.920 0.195 -1.995 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.983 1.327 -2.296 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.711 1.569 -4.044 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.795 0.171 -4.244 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.151 0.127 -4.924 1.00 0.00 H new ATOM 1398 N LEU A 109 6.361 -1.853 -4.259 1.00 0.00 N ATOM 1399 CA LEU A 109 5.556 -2.237 -5.427 1.00 0.00 C ATOM 1400 C LEU A 109 5.397 -1.065 -6.420 1.00 0.00 C ATOM 1401 O LEU A 109 5.546 0.105 -6.054 1.00 0.00 O ATOM 1402 CB LEU A 109 4.187 -2.771 -4.955 1.00 0.00 C ATOM 1403 CG LEU A 109 4.240 -4.003 -4.028 1.00 0.00 C ATOM 1404 CD1 LEU A 109 2.822 -4.387 -3.603 1.00 0.00 C ATOM 1405 CD2 LEU A 109 4.879 -5.221 -4.699 1.00 0.00 C ATOM 0 H LEU A 109 5.871 -1.191 -3.658 1.00 0.00 H new ATOM 0 HA LEU A 109 6.076 -3.030 -5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.663 -1.969 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.592 -3.024 -5.833 1.00 0.00 H new ATOM 0 HG LEU A 109 4.852 -3.723 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.862 -5.258 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.363 -3.553 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.229 -4.624 -4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.889 -6.058 -4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 109 4.302 -5.494 -5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.901 -4.980 -4.992 1.00 0.00 H new ATOM 1417 N ALA A 110 5.074 -1.382 -7.677 1.00 0.00 N ATOM 1418 CA ALA A 110 4.881 -0.422 -8.771 1.00 0.00 C ATOM 1419 C ALA A 110 3.704 -0.803 -9.686 1.00 0.00 C ATOM 1420 O ALA A 110 3.141 -1.898 -9.580 1.00 0.00 O ATOM 1421 CB ALA A 110 6.173 -0.328 -9.581 1.00 0.00 C ATOM 0 H ALA A 110 4.934 -2.348 -7.973 1.00 0.00 H new ATOM 0 HA ALA A 110 4.636 0.546 -8.333 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.040 0.383 -10.397 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.984 0.008 -8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 110 6.418 -1.308 -9.990 1.00 0.00 H new ATOM 1427 N THR A 111 3.320 0.116 -10.580 1.00 0.00 N ATOM 1428 CA THR A 111 2.096 0.000 -11.390 1.00 0.00 C ATOM 1429 C THR A 111 2.113 0.818 -12.685 1.00 0.00 C ATOM 1430 O THR A 111 3.010 1.640 -12.922 1.00 0.00 O ATOM 1431 CB THR A 111 0.902 0.385 -10.511 1.00 0.00 C ATOM 1432 OG1 THR A 111 -0.302 0.012 -11.153 1.00 0.00 O ATOM 1433 CG2 THR A 111 0.821 1.872 -10.149 1.00 0.00 C ATOM 0 H THR A 111 3.851 0.967 -10.765 1.00 0.00 H new ATOM 0 HA THR A 111 2.021 -1.035 -11.724 1.00 0.00 H new ATOM 0 HB THR A 111 1.049 -0.153 -9.575 1.00 0.00 H new ATOM 0 HG1 THR A 111 -1.064 0.258 -10.588 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.056 2.047 -9.526 1.00 0.00 H new ATOM 0 HG22 THR A 111 1.718 2.163 -9.603 1.00 0.00 H new ATOM 0 HG23 THR A 111 0.743 2.465 -11.060 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 49H A 200 -1.521 12.814 -13.291 1.00 0.00 N HETATM 1443 CG1 49H A 200 1.329 13.380 -11.556 1.00 0.00 C HETATM 1444 CG2 49H A 200 -0.466 11.089 -11.777 1.00 0.00 C HETATM 1445 CG3 49H A 200 -1.261 14.547 -14.962 1.00 0.00 C HETATM 1446 CD1 49H A 200 2.106 13.654 -12.688 1.00 0.00 C HETATM 1447 CD2 49H A 200 1.939 12.801 -10.438 1.00 0.00 C HETATM 1448 CD3 49H A 200 0.431 10.610 -12.737 1.00 0.00 C HETATM 1449 CD4 49H A 200 -0.794 10.279 -10.687 1.00 0.00 C HETATM 1450 CD5 49H A 200 -2.135 13.905 -15.852 1.00 0.00 C HETATM 1451 CD6 49H A 200 -0.520 15.644 -15.439 1.00 0.00 C HETATM 1452 CE1 49H A 200 3.471 13.376 -12.692 1.00 0.00 C HETATM 1453 CE2 49H A 200 3.302 12.503 -10.449 1.00 0.00 C HETATM 1454 CE3 49H A 200 1.001 9.348 -12.598 1.00 0.00 C HETATM 1455 CE4 49H A 200 -0.233 9.008 -10.557 1.00 0.00 C HETATM 1456 CE5 49H A 200 -2.360 14.406 -17.130 1.00 0.00 C HETATM 1457 CE6 49H A 200 -0.761 16.145 -16.720 1.00 0.00 C HETATM 1458 CZ1 49H A 200 4.066 12.809 -11.571 1.00 0.00 C HETATM 1459 CZ2 49H A 200 0.671 8.544 -11.511 1.00 0.00 C HETATM 1460 CZ3 49H A 200 -1.697 15.552 -17.553 1.00 0.00 C HETATM 1461 CL1 49H A 200 5.759 12.484 -11.575 1.00 0.00 CL HETATM 1462 CL2 49H A 200 2.124 8.784 -13.783 1.00 0.00 CL HETATM 1463 CM1 49H A 200 -3.153 15.926 -19.525 1.00 0.00 C HETATM 1464 CM2 49H A 200 2.537 15.813 -15.981 1.00 0.00 C HETATM 1465 CM3 49H A 200 2.473 17.385 -13.993 1.00 0.00 C HETATM 1466 C1 49H A 200 -2.398 19.132 -13.407 1.00 0.00 C HETATM 1467 N1 49H A 200 -3.330 18.499 -14.139 1.00 0.00 N HETATM 1468 O1 49H A 200 -2.347 20.345 -13.481 1.00 0.00 O HETATM 1469 C2 49H A 200 -3.590 17.055 -14.087 1.00 0.00 C HETATM 1470 N2 49H A 200 -1.603 16.819 -12.583 1.00 0.00 N HETATM 1471 C3 49H A 200 -3.004 16.404 -12.819 1.00 0.00 C HETATM 1472 N3 49H A 200 -0.596 14.712 -12.475 1.00 0.00 N HETATM 1473 O3 49H A 200 -1.922 16.123 -18.788 1.00 0.00 O HETATM 1474 C4 49H A 200 -1.456 18.301 -12.530 1.00 0.00 C HETATM 1475 C5 49H A 200 -0.627 16.007 -12.090 1.00 0.00 C HETATM 1476 O5 49H A 200 0.192 16.443 -11.300 1.00 0.00 O HETATM 1477 C6 49H A 200 -1.189 14.018 -13.562 1.00 0.00 C HETATM 1478 O6 49H A 200 0.495 16.193 -14.674 1.00 0.00 O HETATM 1479 C7 49H A 200 -1.090 12.477 -11.908 1.00 0.00 C HETATM 1480 C8 49H A 200 -0.175 13.678 -11.521 1.00 0.00 C HETATM 1481 C9 49H A 200 1.686 16.834 -15.197 1.00 0.00 C