USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 728 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 54 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 GLN : amide:sc= -2.55! X(o=-2.5!,f=-2.5) USER MOD Set 2.1: A 25 GLN : amide:sc= -0.268 K(o=-2.5,f=-4.3) USER MOD Set 2.2: A 88 GLN : amide:sc= -2.24 K(o=-2.5,f=-4.3!) USER MOD Set 3.1: A 15 ASN : amide:sc= -0.584 K(o=-1.2,f=-3.3!) USER MOD Set 3.2: A 17 HIS : no HE2:sc= -0.568 K(o=-1.2,f=-4.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.137 (180deg=-0.141) USER MOD Single : A 5 LYS NZ :NH3+ -129:sc= -0.679 (180deg=-2.7!) USER MOD Single : A 7 LYS NZ :NH3+ -164:sc= 1.25 (180deg=1.07) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 126:sc= 1.03 USER MOD Single : A 14 ASN : amide:sc= -0.503 X(o=-0.5,f=-0.13) USER MOD Single : A 19 ASN : amide:sc= -0.295 K(o=-0.29,f=-2.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 97:sc= 1.34 USER MOD Single : A 31 GLN : amide:sc= -4.71! C(o=-4.7!,f=-5.9!) USER MOD Single : A 33 LYS NZ :NH3+ -111:sc= -0.0243 (180deg=-0.21) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc=-0.00536 (180deg=-0.111) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.891 USER MOD Single : A 41 SER OG : rot 180:sc= -0.159 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -127:sc= -0.144 (180deg=-1.84) USER MOD Single : A 45 LYS NZ :NH3+ -155:sc= 1.23 (180deg=0.795) USER MOD Single : A 47 TYR OH : rot -165:sc= 1.22 USER MOD Single : A 48 CYS SG : rot 146:sc= -3.83! USER MOD Single : A 51 GLN : amide:sc= -2.27 X(o=-2.3,f=-2.5!) USER MOD Single : A 55 MET CE :methyl 152:sc= -3.29 (180deg=-4.43!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 68 ASN :FLIP amide:sc= -2.54! C(o=-5.4!,f=-2.5!) USER MOD Single : A 70 THR OG1 : rot -39:sc= 0.957 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 75 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 78 MET CE :methyl -158:sc= -0.852 (180deg=-1.37) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.3 K(o=-1.3,f=-5.4!) USER MOD Single : A 90 GLN : amide:sc= -1.89 K(o=-1.9,f=-7.3!) USER MOD Single : A 91 THR OG1 : rot 45:sc= 0.0443 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.979 21.125 -1.053 1.00 0.00 N ATOM 2 CA MET A 1 16.641 20.661 -0.622 1.00 0.00 C ATOM 3 C MET A 1 16.690 19.237 -0.070 1.00 0.00 C ATOM 4 O MET A 1 15.684 18.707 0.390 1.00 0.00 O ATOM 5 CB MET A 1 15.646 20.721 -1.790 1.00 0.00 C ATOM 6 CG MET A 1 15.954 19.747 -2.921 1.00 0.00 C ATOM 7 SD MET A 1 14.723 19.798 -4.240 1.00 0.00 S ATOM 8 CE MET A 1 15.402 18.592 -5.380 1.00 0.00 C ATOM 0 H1 MET A 1 17.905 22.088 -1.438 1.00 0.00 H new ATOM 0 H2 MET A 1 18.625 21.126 -0.238 1.00 0.00 H new ATOM 0 H3 MET A 1 18.348 20.487 -1.787 1.00 0.00 H new ATOM 0 HA MET A 1 16.309 21.328 0.173 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.645 20.516 -1.411 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.634 21.734 -2.191 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.935 19.978 -3.336 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.008 18.735 -2.519 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.752 18.509 -6.251 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.395 18.910 -5.697 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.472 17.623 -4.886 1.00 0.00 H new ATOM 18 N ALA A 2 17.857 18.616 -0.094 1.00 0.00 N ATOM 19 CA ALA A 2 17.987 17.245 0.361 1.00 0.00 C ATOM 20 C ALA A 2 18.316 17.191 1.839 1.00 0.00 C ATOM 21 O ALA A 2 17.808 16.348 2.575 1.00 0.00 O ATOM 22 CB ALA A 2 19.053 16.535 -0.438 1.00 0.00 C ATOM 0 H ALA A 2 18.725 19.039 -0.423 1.00 0.00 H new ATOM 0 HA ALA A 2 17.032 16.742 0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 2 19.144 15.506 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 2 18.779 16.538 -1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 2 20.006 17.047 -0.309 1.00 0.00 H new ATOM 28 N ASP A 3 19.157 18.105 2.283 1.00 0.00 N ATOM 29 CA ASP A 3 19.567 18.158 3.682 1.00 0.00 C ATOM 30 C ASP A 3 18.447 18.718 4.557 1.00 0.00 C ATOM 31 O ASP A 3 18.532 18.728 5.782 1.00 0.00 O ATOM 32 CB ASP A 3 20.851 18.995 3.828 1.00 0.00 C ATOM 33 CG ASP A 3 21.393 19.019 5.249 1.00 0.00 C ATOM 34 OD1 ASP A 3 21.581 17.938 5.836 1.00 0.00 O ATOM 35 OD2 ASP A 3 21.624 20.128 5.783 1.00 0.00 O ATOM 0 H ASP A 3 19.574 18.827 1.695 1.00 0.00 H new ATOM 0 HA ASP A 3 19.776 17.143 4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 3 21.615 18.595 3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 3 20.650 20.017 3.506 1.00 0.00 H new ATOM 40 N GLU A 4 17.377 19.171 3.928 1.00 0.00 N ATOM 41 CA GLU A 4 16.242 19.715 4.648 1.00 0.00 C ATOM 42 C GLU A 4 15.123 18.689 4.719 1.00 0.00 C ATOM 43 O GLU A 4 14.058 18.948 5.270 1.00 0.00 O ATOM 44 CB GLU A 4 15.739 20.964 3.947 1.00 0.00 C ATOM 45 CG GLU A 4 16.757 22.078 3.872 1.00 0.00 C ATOM 46 CD GLU A 4 16.302 23.203 2.982 1.00 0.00 C ATOM 47 OE1 GLU A 4 15.213 23.752 3.228 1.00 0.00 O ATOM 48 OE2 GLU A 4 17.017 23.526 2.017 1.00 0.00 O ATOM 0 H GLU A 4 17.271 19.172 2.913 1.00 0.00 H new ATOM 0 HA GLU A 4 16.558 19.968 5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 4 15.428 20.701 2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.854 21.329 4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 4 16.946 22.463 4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 4 17.701 21.681 3.499 1.00 0.00 H new ATOM 55 N LYS A 5 15.366 17.514 4.158 1.00 0.00 N ATOM 56 CA LYS A 5 14.366 16.456 4.148 1.00 0.00 C ATOM 57 C LYS A 5 14.141 15.871 5.550 1.00 0.00 C ATOM 58 O LYS A 5 12.998 15.741 5.986 1.00 0.00 O ATOM 59 CB LYS A 5 14.715 15.368 3.129 1.00 0.00 C ATOM 60 CG LYS A 5 14.605 15.834 1.685 1.00 0.00 C ATOM 61 CD LYS A 5 15.053 14.766 0.685 1.00 0.00 C ATOM 62 CE LYS A 5 14.114 13.559 0.650 1.00 0.00 C ATOM 63 NZ LYS A 5 14.370 12.594 1.758 1.00 0.00 N ATOM 0 H LYS A 5 16.246 17.269 3.704 1.00 0.00 H new ATOM 0 HA LYS A 5 13.423 16.904 3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.731 15.020 3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.054 14.515 3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.572 16.112 1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.211 16.730 1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.109 15.207 -0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.058 14.432 0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.082 13.906 0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.225 13.046 -0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.471 11.636 1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.244 12.859 2.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.573 12.613 2.426 1.00 0.00 H new ATOM 77 N PRO A 6 15.216 15.495 6.281 1.00 0.00 N ATOM 78 CA PRO A 6 15.080 15.025 7.643 1.00 0.00 C ATOM 79 C PRO A 6 14.996 16.205 8.607 1.00 0.00 C ATOM 80 O PRO A 6 15.856 17.086 8.610 1.00 0.00 O ATOM 81 CB PRO A 6 16.359 14.224 7.867 1.00 0.00 C ATOM 82 CG PRO A 6 17.376 14.879 7.000 1.00 0.00 C ATOM 83 CD PRO A 6 16.629 15.487 5.837 1.00 0.00 C ATOM 0 HA PRO A 6 14.178 14.436 7.810 1.00 0.00 H new ATOM 0 HB2 PRO A 6 16.660 14.245 8.914 1.00 0.00 H new ATOM 0 HB3 PRO A 6 16.223 13.177 7.595 1.00 0.00 H new ATOM 0 HG2 PRO A 6 17.920 15.645 7.553 1.00 0.00 H new ATOM 0 HG3 PRO A 6 18.111 14.154 6.651 1.00 0.00 H new ATOM 0 HD2 PRO A 6 16.984 16.494 5.618 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.758 14.899 4.929 1.00 0.00 H new ATOM 91 N LYS A 7 13.947 16.254 9.400 1.00 0.00 N ATOM 92 CA LYS A 7 13.764 17.348 10.340 1.00 0.00 C ATOM 93 C LYS A 7 14.203 16.947 11.742 1.00 0.00 C ATOM 94 O LYS A 7 14.015 17.699 12.699 1.00 0.00 O ATOM 95 CB LYS A 7 12.301 17.799 10.366 1.00 0.00 C ATOM 96 CG LYS A 7 11.791 18.403 9.059 1.00 0.00 C ATOM 97 CD LYS A 7 12.542 19.678 8.695 1.00 0.00 C ATOM 98 CE LYS A 7 11.850 20.435 7.567 1.00 0.00 C ATOM 99 NZ LYS A 7 11.718 19.617 6.336 1.00 0.00 N ATOM 0 H LYS A 7 13.207 15.552 9.415 1.00 0.00 H new ATOM 0 HA LYS A 7 14.387 18.178 10.005 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.677 16.943 10.622 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.176 18.533 11.162 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.900 17.675 8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.727 18.621 9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.616 20.320 9.573 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.560 19.428 8.395 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.861 20.751 7.898 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.414 21.340 7.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.499 20.236 5.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.611 19.116 6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.952 18.925 6.460 1.00 0.00 H new ATOM 113 N GLU A 8 14.815 15.760 11.856 1.00 0.00 N ATOM 114 CA GLU A 8 15.262 15.218 13.144 1.00 0.00 C ATOM 115 C GLU A 8 14.099 15.102 14.122 1.00 0.00 C ATOM 116 O GLU A 8 14.274 15.187 15.339 1.00 0.00 O ATOM 117 CB GLU A 8 16.369 16.087 13.740 1.00 0.00 C ATOM 118 CG GLU A 8 17.737 15.914 13.090 1.00 0.00 C ATOM 119 CD GLU A 8 17.771 16.368 11.653 1.00 0.00 C ATOM 120 OE1 GLU A 8 17.911 17.584 11.417 1.00 0.00 O ATOM 121 OE2 GLU A 8 17.661 15.510 10.754 1.00 0.00 O ATOM 0 H GLU A 8 15.013 15.152 11.061 1.00 0.00 H new ATOM 0 HA GLU A 8 15.660 14.219 12.966 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.074 17.133 13.659 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.456 15.862 14.803 1.00 0.00 H new ATOM 0 HG2 GLU A 8 18.477 16.476 13.660 1.00 0.00 H new ATOM 0 HG3 GLU A 8 18.026 14.864 13.140 1.00 0.00 H new ATOM 128 N GLY A 9 12.916 14.877 13.588 1.00 0.00 N ATOM 129 CA GLY A 9 11.741 14.790 14.415 1.00 0.00 C ATOM 130 C GLY A 9 11.046 16.125 14.518 1.00 0.00 C ATOM 131 O GLY A 9 11.138 16.813 15.540 1.00 0.00 O ATOM 0 H GLY A 9 12.748 14.752 12.590 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.055 14.051 14.000 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.019 14.444 15.411 1.00 0.00 H new ATOM 135 N VAL A 10 10.362 16.514 13.453 1.00 0.00 N ATOM 136 CA VAL A 10 9.662 17.785 13.421 1.00 0.00 C ATOM 137 C VAL A 10 8.440 17.767 14.339 1.00 0.00 C ATOM 138 O VAL A 10 7.603 16.861 14.281 1.00 0.00 O ATOM 139 CB VAL A 10 9.243 18.180 11.972 1.00 0.00 C ATOM 140 CG1 VAL A 10 8.360 17.114 11.336 1.00 0.00 C ATOM 141 CG2 VAL A 10 8.551 19.540 11.956 1.00 0.00 C ATOM 0 H VAL A 10 10.278 15.964 12.598 1.00 0.00 H new ATOM 0 HA VAL A 10 10.359 18.539 13.786 1.00 0.00 H new ATOM 0 HB VAL A 10 10.152 18.254 11.376 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.087 17.422 10.327 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.903 16.170 11.292 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.457 16.986 11.933 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.269 19.793 10.934 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.658 19.501 12.580 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.231 20.299 12.343 1.00 0.00 H new ATOM 151 N LYS A 11 8.351 18.751 15.207 1.00 0.00 N ATOM 152 CA LYS A 11 7.227 18.863 16.103 1.00 0.00 C ATOM 153 C LYS A 11 6.161 19.726 15.467 1.00 0.00 C ATOM 154 O LYS A 11 6.195 20.953 15.558 1.00 0.00 O ATOM 155 CB LYS A 11 7.658 19.447 17.457 1.00 0.00 C ATOM 156 CG LYS A 11 8.739 18.643 18.188 1.00 0.00 C ATOM 157 CD LYS A 11 8.174 17.469 19.001 1.00 0.00 C ATOM 158 CE LYS A 11 7.628 16.350 18.122 1.00 0.00 C ATOM 159 NZ LYS A 11 7.254 15.155 18.913 1.00 0.00 N ATOM 0 H LYS A 11 9.049 19.488 15.309 1.00 0.00 H new ATOM 0 HA LYS A 11 6.822 17.868 16.286 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.024 20.462 17.299 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.782 19.520 18.101 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.454 18.261 17.459 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.288 19.307 18.855 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.957 17.069 19.645 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.380 17.833 19.653 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.756 16.711 17.576 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.377 16.074 17.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.888 14.418 18.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.091 14.795 19.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.520 15.412 19.604 1.00 0.00 H new ATOM 173 N THR A 12 5.236 19.093 14.789 1.00 0.00 N ATOM 174 CA THR A 12 4.177 19.798 14.115 1.00 0.00 C ATOM 175 C THR A 12 3.041 20.113 15.075 1.00 0.00 C ATOM 176 O THR A 12 3.081 19.747 16.256 1.00 0.00 O ATOM 177 CB THR A 12 3.634 18.976 12.927 1.00 0.00 C ATOM 178 OG1 THR A 12 3.252 17.665 13.373 1.00 0.00 O ATOM 179 CG2 THR A 12 4.683 18.852 11.835 1.00 0.00 C ATOM 0 H THR A 12 5.197 18.079 14.690 1.00 0.00 H new ATOM 0 HA THR A 12 4.593 20.732 13.737 1.00 0.00 H new ATOM 0 HB THR A 12 2.764 19.493 12.522 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.325 17.487 13.109 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.279 18.269 11.007 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.957 19.845 11.479 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.566 18.353 12.234 1.00 0.00 H new ATOM 187 N GLU A 13 2.028 20.787 14.581 1.00 0.00 N ATOM 188 CA GLU A 13 0.868 21.122 15.377 1.00 0.00 C ATOM 189 C GLU A 13 -0.362 20.431 14.810 1.00 0.00 C ATOM 190 O GLU A 13 -1.484 20.631 15.269 1.00 0.00 O ATOM 191 CB GLU A 13 0.661 22.645 15.434 1.00 0.00 C ATOM 192 CG GLU A 13 1.274 23.421 14.269 1.00 0.00 C ATOM 193 CD GLU A 13 0.800 22.944 12.915 1.00 0.00 C ATOM 194 OE1 GLU A 13 -0.317 23.309 12.506 1.00 0.00 O ATOM 195 OE2 GLU A 13 1.545 22.190 12.257 1.00 0.00 O ATOM 0 H GLU A 13 1.984 21.118 13.617 1.00 0.00 H new ATOM 0 HA GLU A 13 1.031 20.772 16.396 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.409 22.851 15.466 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.086 23.020 16.365 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.032 24.478 14.379 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.360 23.336 14.316 1.00 0.00 H new ATOM 202 N ASN A 14 -0.138 19.613 13.800 1.00 0.00 N ATOM 203 CA ASN A 14 -1.199 18.860 13.151 1.00 0.00 C ATOM 204 C ASN A 14 -0.632 17.568 12.581 1.00 0.00 C ATOM 205 O ASN A 14 0.592 17.400 12.498 1.00 0.00 O ATOM 206 CB ASN A 14 -1.847 19.682 12.028 1.00 0.00 C ATOM 207 CG ASN A 14 -1.007 19.714 10.776 1.00 0.00 C ATOM 208 OD1 ASN A 14 -1.169 18.885 9.880 1.00 0.00 O ATOM 209 ND2 ASN A 14 -0.103 20.646 10.705 1.00 0.00 N ATOM 0 H ASN A 14 0.787 19.450 13.403 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.964 18.630 13.893 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.826 19.263 11.794 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.012 20.701 12.377 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.502 20.708 9.886 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.001 21.315 11.468 1.00 0.00 H new ATOM 216 N ASN A 15 -1.500 16.654 12.197 1.00 0.00 N ATOM 217 CA ASN A 15 -1.079 15.408 11.591 1.00 0.00 C ATOM 218 C ASN A 15 -1.986 15.060 10.424 1.00 0.00 C ATOM 219 O ASN A 15 -3.075 14.508 10.595 1.00 0.00 O ATOM 220 CB ASN A 15 -1.036 14.272 12.624 1.00 0.00 C ATOM 221 CG ASN A 15 -0.803 12.908 11.994 1.00 0.00 C ATOM 222 OD1 ASN A 15 -1.733 12.155 11.773 1.00 0.00 O ATOM 223 ND2 ASN A 15 0.433 12.601 11.671 1.00 0.00 N ATOM 0 H ASN A 15 -2.510 16.753 12.295 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.065 15.536 11.211 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.244 14.473 13.345 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.975 14.255 13.178 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.636 11.708 11.221 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.190 13.255 11.870 1.00 0.00 H new ATOM 230 N ASP A 16 -1.541 15.412 9.232 1.00 0.00 N ATOM 231 CA ASP A 16 -2.308 15.179 8.019 1.00 0.00 C ATOM 232 C ASP A 16 -2.103 13.763 7.534 1.00 0.00 C ATOM 233 O ASP A 16 -1.170 13.465 6.791 1.00 0.00 O ATOM 234 CB ASP A 16 -1.908 16.175 6.938 1.00 0.00 C ATOM 235 CG ASP A 16 -2.729 16.045 5.669 1.00 0.00 C ATOM 236 OD1 ASP A 16 -3.794 15.405 5.702 1.00 0.00 O ATOM 237 OD2 ASP A 16 -2.306 16.608 4.637 1.00 0.00 O ATOM 0 H ASP A 16 -0.641 15.866 9.076 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.365 15.320 8.243 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.014 17.187 7.329 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.854 16.035 6.697 1.00 0.00 H new ATOM 242 N HIS A 17 -2.953 12.885 7.973 1.00 0.00 N ATOM 243 CA HIS A 17 -2.853 11.484 7.626 1.00 0.00 C ATOM 244 C HIS A 17 -4.180 10.981 7.057 1.00 0.00 C ATOM 245 O HIS A 17 -5.234 11.560 7.315 1.00 0.00 O ATOM 246 CB HIS A 17 -2.460 10.659 8.872 1.00 0.00 C ATOM 247 CG HIS A 17 -3.598 10.411 9.830 1.00 0.00 C ATOM 248 ND1 HIS A 17 -4.053 11.355 10.723 1.00 0.00 N ATOM 249 CD2 HIS A 17 -4.382 9.321 10.012 1.00 0.00 C ATOM 250 CE1 HIS A 17 -5.058 10.861 11.409 1.00 0.00 C ATOM 251 NE2 HIS A 17 -5.280 9.628 10.999 1.00 0.00 N ATOM 0 H HIS A 17 -3.739 13.111 8.583 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.082 11.365 6.865 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.057 9.700 8.547 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.661 11.178 9.401 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -3.669 12.293 10.835 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.312 8.385 9.478 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.610 11.378 12.180 1.00 0.00 H new ATOM 260 N ILE A 18 -4.130 9.906 6.293 1.00 0.00 N ATOM 261 CA ILE A 18 -5.331 9.300 5.733 1.00 0.00 C ATOM 262 C ILE A 18 -5.222 7.784 5.768 1.00 0.00 C ATOM 263 O ILE A 18 -4.136 7.227 5.985 1.00 0.00 O ATOM 264 CB ILE A 18 -5.614 9.760 4.278 1.00 0.00 C ATOM 265 CG1 ILE A 18 -4.374 9.592 3.399 1.00 0.00 C ATOM 266 CG2 ILE A 18 -6.111 11.197 4.248 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.631 9.860 1.931 1.00 0.00 C ATOM 0 H ILE A 18 -3.264 9.428 6.042 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.164 9.633 6.352 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.401 9.124 3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.594 10.267 3.752 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.993 8.577 3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.302 11.495 3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.033 11.275 4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.355 11.852 4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.707 9.722 1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.388 9.168 1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.983 10.884 1.804 1.00 0.00 H new ATOM 279 N ASN A 19 -6.335 7.113 5.568 1.00 0.00 N ATOM 280 CA ASN A 19 -6.370 5.664 5.595 1.00 0.00 C ATOM 281 C ASN A 19 -6.513 5.128 4.184 1.00 0.00 C ATOM 282 O ASN A 19 -7.465 5.459 3.478 1.00 0.00 O ATOM 283 CB ASN A 19 -7.551 5.151 6.430 1.00 0.00 C ATOM 284 CG ASN A 19 -7.920 6.042 7.599 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.453 5.848 8.716 1.00 0.00 O ATOM 286 ND2 ASN A 19 -8.758 7.024 7.350 1.00 0.00 N ATOM 0 H ASN A 19 -7.237 7.551 5.383 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.439 5.318 6.044 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.420 5.043 5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.310 4.157 6.807 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.040 7.656 8.099 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.126 7.154 6.408 1.00 0.00 H new ATOM 293 N LEU A 20 -5.579 4.307 3.765 1.00 0.00 N ATOM 294 CA LEU A 20 -5.632 3.696 2.450 1.00 0.00 C ATOM 295 C LEU A 20 -5.706 2.192 2.603 1.00 0.00 C ATOM 296 O LEU A 20 -4.859 1.582 3.251 1.00 0.00 O ATOM 297 CB LEU A 20 -4.395 4.058 1.600 1.00 0.00 C ATOM 298 CG LEU A 20 -4.191 5.540 1.243 1.00 0.00 C ATOM 299 CD1 LEU A 20 -5.490 6.188 0.789 1.00 0.00 C ATOM 300 CD2 LEU A 20 -3.569 6.303 2.399 1.00 0.00 C ATOM 0 H LEU A 20 -4.764 4.042 4.319 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.516 4.075 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.508 3.715 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.448 3.492 0.670 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.495 5.582 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.309 7.235 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.866 5.670 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.227 6.125 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.437 7.347 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.223 6.242 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.600 5.868 2.643 1.00 0.00 H new ATOM 312 N LYS A 21 -6.709 1.583 2.024 1.00 0.00 N ATOM 313 CA LYS A 21 -6.852 0.148 2.100 1.00 0.00 C ATOM 314 C LYS A 21 -6.370 -0.495 0.819 1.00 0.00 C ATOM 315 O LYS A 21 -6.525 0.052 -0.251 1.00 0.00 O ATOM 316 CB LYS A 21 -8.303 -0.241 2.394 1.00 0.00 C ATOM 317 CG LYS A 21 -8.568 -1.740 2.320 1.00 0.00 C ATOM 318 CD LYS A 21 -9.904 -2.105 2.933 1.00 0.00 C ATOM 319 CE LYS A 21 -11.050 -1.394 2.233 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.375 -1.832 2.738 1.00 0.00 N ATOM 0 H LYS A 21 -7.440 2.057 1.494 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.236 -0.217 2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.570 0.117 3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.956 0.269 1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.545 -2.062 1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.772 -2.276 2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.051 -3.183 2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.904 -1.843 3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.947 -0.318 2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.991 -1.583 1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.126 -1.321 2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.486 -2.854 2.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.443 -1.629 3.756 1.00 0.00 H new ATOM 334 N VAL A 22 -5.792 -1.662 0.927 1.00 0.00 N ATOM 335 CA VAL A 22 -5.271 -2.356 -0.225 1.00 0.00 C ATOM 336 C VAL A 22 -6.034 -3.649 -0.436 1.00 0.00 C ATOM 337 O VAL A 22 -6.128 -4.477 0.467 1.00 0.00 O ATOM 338 CB VAL A 22 -3.764 -2.659 -0.077 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.231 -3.313 -1.333 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.990 -1.390 0.233 1.00 0.00 C ATOM 0 H VAL A 22 -5.669 -2.158 1.810 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.399 -1.706 -1.090 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.633 -3.351 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.168 -3.520 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.764 -4.247 -1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.376 -2.644 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.930 -1.625 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.127 -0.673 -0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.356 -0.959 1.165 1.00 0.00 H new ATOM 350 N ALA A 23 -6.561 -3.830 -1.626 1.00 0.00 N ATOM 351 CA ALA A 23 -7.357 -4.998 -1.940 1.00 0.00 C ATOM 352 C ALA A 23 -6.862 -5.663 -3.196 1.00 0.00 C ATOM 353 O ALA A 23 -6.763 -5.046 -4.255 1.00 0.00 O ATOM 354 CB ALA A 23 -8.829 -4.637 -2.072 1.00 0.00 C ATOM 0 H ALA A 23 -6.452 -3.176 -2.401 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.253 -5.703 -1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.404 -5.533 -2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.186 -4.214 -1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.954 -3.905 -2.870 1.00 0.00 H new ATOM 360 N GLY A 24 -6.543 -6.919 -3.087 1.00 0.00 N ATOM 361 CA GLY A 24 -6.071 -7.648 -4.225 1.00 0.00 C ATOM 362 C GLY A 24 -7.138 -8.535 -4.789 1.00 0.00 C ATOM 363 O GLY A 24 -7.993 -9.027 -4.054 1.00 0.00 O ATOM 0 H GLY A 24 -6.601 -7.458 -2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.734 -6.950 -4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.208 -8.250 -3.940 1.00 0.00 H new ATOM 367 N GLN A 25 -7.102 -8.755 -6.097 1.00 0.00 N ATOM 368 CA GLN A 25 -8.074 -9.631 -6.762 1.00 0.00 C ATOM 369 C GLN A 25 -7.964 -11.082 -6.256 1.00 0.00 C ATOM 370 O GLN A 25 -8.807 -11.924 -6.538 1.00 0.00 O ATOM 371 CB GLN A 25 -7.921 -9.564 -8.301 1.00 0.00 C ATOM 372 CG GLN A 25 -6.475 -9.490 -8.778 1.00 0.00 C ATOM 373 CD GLN A 25 -5.652 -10.652 -8.290 1.00 0.00 C ATOM 374 OE1 GLN A 25 -6.022 -11.807 -8.455 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.569 -10.349 -7.626 1.00 0.00 N ATOM 0 H GLN A 25 -6.412 -8.341 -6.724 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.070 -9.270 -6.507 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.393 -10.442 -8.741 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.460 -8.692 -8.672 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.455 -9.466 -9.868 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.027 -8.559 -8.430 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.297 -9.373 -7.512 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.995 -11.089 -7.221 1.00 0.00 H new ATOM 384 N ASP A 26 -6.894 -11.356 -5.511 1.00 0.00 N ATOM 385 CA ASP A 26 -6.654 -12.666 -4.907 1.00 0.00 C ATOM 386 C ASP A 26 -7.571 -12.865 -3.713 1.00 0.00 C ATOM 387 O ASP A 26 -7.762 -13.977 -3.221 1.00 0.00 O ATOM 388 CB ASP A 26 -5.189 -12.757 -4.457 1.00 0.00 C ATOM 389 CG ASP A 26 -4.906 -13.949 -3.559 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.742 -15.069 -4.082 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.842 -13.765 -2.320 1.00 0.00 O ATOM 0 H ASP A 26 -6.165 -10.672 -5.308 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.859 -13.444 -5.642 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.549 -12.815 -5.338 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.922 -11.842 -3.929 1.00 0.00 H new ATOM 396 N GLY A 27 -8.164 -11.786 -3.275 1.00 0.00 N ATOM 397 CA GLY A 27 -9.011 -11.827 -2.103 1.00 0.00 C ATOM 398 C GLY A 27 -8.301 -11.311 -0.878 1.00 0.00 C ATOM 399 O GLY A 27 -8.911 -11.104 0.171 1.00 0.00 O ATOM 0 H GLY A 27 -8.079 -10.867 -3.709 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.906 -11.232 -2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.339 -12.852 -1.928 1.00 0.00 H new ATOM 403 N SER A 28 -7.007 -11.102 -1.002 1.00 0.00 N ATOM 404 CA SER A 28 -6.215 -10.579 0.082 1.00 0.00 C ATOM 405 C SER A 28 -6.398 -9.071 0.182 1.00 0.00 C ATOM 406 O SER A 28 -6.090 -8.327 -0.756 1.00 0.00 O ATOM 407 CB SER A 28 -4.742 -10.928 -0.125 1.00 0.00 C ATOM 408 OG SER A 28 -4.545 -12.337 -0.096 1.00 0.00 O ATOM 0 H SER A 28 -6.480 -11.290 -1.855 1.00 0.00 H new ATOM 0 HA SER A 28 -6.549 -11.032 1.015 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.400 -10.529 -1.080 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.140 -10.457 0.652 1.00 0.00 H new ATOM 0 HG SER A 28 -4.520 -12.683 -1.013 1.00 0.00 H new ATOM 414 N VAL A 29 -6.929 -8.617 1.295 1.00 0.00 N ATOM 415 CA VAL A 29 -7.166 -7.205 1.494 1.00 0.00 C ATOM 416 C VAL A 29 -6.908 -6.792 2.950 1.00 0.00 C ATOM 417 O VAL A 29 -7.255 -7.513 3.891 1.00 0.00 O ATOM 418 CB VAL A 29 -8.606 -6.809 1.042 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.643 -7.726 1.645 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.917 -5.362 1.376 1.00 0.00 C ATOM 0 H VAL A 29 -7.206 -9.208 2.079 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.458 -6.661 0.869 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.643 -6.919 -0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.635 -7.423 1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.450 -8.751 1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.593 -7.667 2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.928 -5.122 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.841 -5.213 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.206 -4.710 0.868 1.00 0.00 H new ATOM 430 N VAL A 30 -6.281 -5.628 3.120 1.00 0.00 N ATOM 431 CA VAL A 30 -5.920 -5.086 4.437 1.00 0.00 C ATOM 432 C VAL A 30 -6.032 -3.561 4.396 1.00 0.00 C ATOM 433 O VAL A 30 -5.857 -2.955 3.343 1.00 0.00 O ATOM 434 CB VAL A 30 -4.460 -5.469 4.856 1.00 0.00 C ATOM 435 CG1 VAL A 30 -4.135 -4.954 6.251 1.00 0.00 C ATOM 436 CG2 VAL A 30 -4.240 -6.968 4.794 1.00 0.00 C ATOM 0 H VAL A 30 -6.006 -5.027 2.343 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.605 -5.514 5.169 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.787 -4.993 4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.115 -5.235 6.514 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.228 -3.868 6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.829 -5.389 6.970 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.217 -7.198 5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.935 -7.466 5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.410 -7.319 3.776 1.00 0.00 H new ATOM 446 N GLN A 31 -6.324 -2.941 5.524 1.00 0.00 N ATOM 447 CA GLN A 31 -6.453 -1.495 5.587 1.00 0.00 C ATOM 448 C GLN A 31 -5.215 -0.891 6.260 1.00 0.00 C ATOM 449 O GLN A 31 -4.665 -1.470 7.201 1.00 0.00 O ATOM 450 CB GLN A 31 -7.742 -1.117 6.330 1.00 0.00 C ATOM 451 CG GLN A 31 -8.045 0.377 6.353 1.00 0.00 C ATOM 452 CD GLN A 31 -7.390 1.121 7.517 1.00 0.00 C ATOM 453 OE1 GLN A 31 -7.057 2.288 7.403 1.00 0.00 O ATOM 454 NE2 GLN A 31 -7.232 0.459 8.649 1.00 0.00 N ATOM 0 H GLN A 31 -6.477 -3.417 6.413 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.518 -1.088 4.578 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.580 -1.637 5.866 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.673 -1.476 7.357 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.710 0.821 5.416 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.125 0.519 6.405 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.521 -0.517 8.713 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.821 0.924 9.459 1.00 0.00 H new ATOM 463 N PHE A 32 -4.765 0.264 5.769 1.00 0.00 N ATOM 464 CA PHE A 32 -3.551 0.905 6.292 1.00 0.00 C ATOM 465 C PHE A 32 -3.777 2.362 6.560 1.00 0.00 C ATOM 466 O PHE A 32 -4.656 2.992 5.982 1.00 0.00 O ATOM 467 CB PHE A 32 -2.371 0.733 5.322 1.00 0.00 C ATOM 468 CG PHE A 32 -2.119 -0.688 4.925 1.00 0.00 C ATOM 469 CD1 PHE A 32 -2.887 -1.278 3.942 1.00 0.00 C ATOM 470 CD2 PHE A 32 -1.129 -1.437 5.538 1.00 0.00 C ATOM 471 CE1 PHE A 32 -2.683 -2.578 3.577 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.916 -2.745 5.172 1.00 0.00 C ATOM 473 CZ PHE A 32 -1.697 -3.318 4.189 1.00 0.00 C ATOM 0 H PHE A 32 -5.219 0.776 5.012 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.307 0.411 7.233 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.561 1.323 4.425 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.470 1.137 5.785 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.661 -0.703 3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.519 -0.990 6.310 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.295 -3.025 2.808 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.140 -3.322 5.652 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.535 -4.346 3.900 1.00 0.00 H new ATOM 483 N LYS A 33 -2.966 2.909 7.422 1.00 0.00 N ATOM 484 CA LYS A 33 -3.105 4.265 7.827 1.00 0.00 C ATOM 485 C LYS A 33 -1.749 4.965 7.817 1.00 0.00 C ATOM 486 O LYS A 33 -0.883 4.677 8.645 1.00 0.00 O ATOM 487 CB LYS A 33 -3.699 4.278 9.214 1.00 0.00 C ATOM 488 CG LYS A 33 -4.395 5.547 9.547 1.00 0.00 C ATOM 489 CD LYS A 33 -5.078 5.477 10.910 1.00 0.00 C ATOM 490 CE LYS A 33 -4.169 4.878 11.986 1.00 0.00 C ATOM 491 NZ LYS A 33 -2.879 5.606 12.119 1.00 0.00 N ATOM 0 H LYS A 33 -2.188 2.417 7.861 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.757 4.800 7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.403 3.451 9.307 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.906 4.105 9.942 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.678 6.368 9.542 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.137 5.767 8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.384 6.479 11.212 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.985 4.878 10.829 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.689 4.891 12.944 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.969 3.834 11.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.103 5.002 11.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.913 6.478 11.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.718 5.847 13.118 1.00 0.00 H new ATOM 505 N ILE A 34 -1.560 5.891 6.886 1.00 0.00 N ATOM 506 CA ILE A 34 -0.284 6.594 6.749 1.00 0.00 C ATOM 507 C ILE A 34 -0.491 8.101 6.652 1.00 0.00 C ATOM 508 O ILE A 34 -1.622 8.588 6.574 1.00 0.00 O ATOM 509 CB ILE A 34 0.511 6.120 5.500 1.00 0.00 C ATOM 510 CG1 ILE A 34 -0.318 6.314 4.224 1.00 0.00 C ATOM 511 CG2 ILE A 34 0.940 4.663 5.651 1.00 0.00 C ATOM 512 CD1 ILE A 34 0.438 6.004 2.949 1.00 0.00 C ATOM 0 H ILE A 34 -2.272 6.175 6.213 1.00 0.00 H new ATOM 0 HA ILE A 34 0.291 6.359 7.645 1.00 0.00 H new ATOM 0 HB ILE A 34 1.410 6.730 5.418 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.201 5.677 4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.671 7.345 4.185 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.495 4.353 4.765 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.575 4.560 6.531 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.057 4.034 5.765 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.215 6.165 2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.306 6.659 2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.767 4.965 2.965 1.00 0.00 H new ATOM 524 N LYS A 35 0.601 8.841 6.653 1.00 0.00 N ATOM 525 CA LYS A 35 0.548 10.282 6.543 1.00 0.00 C ATOM 526 C LYS A 35 0.364 10.653 5.070 1.00 0.00 C ATOM 527 O LYS A 35 0.869 9.969 4.190 1.00 0.00 O ATOM 528 CB LYS A 35 1.844 10.888 7.122 1.00 0.00 C ATOM 529 CG LYS A 35 1.698 12.289 7.705 1.00 0.00 C ATOM 530 CD LYS A 35 1.820 13.372 6.647 1.00 0.00 C ATOM 531 CE LYS A 35 1.682 14.763 7.254 1.00 0.00 C ATOM 532 NZ LYS A 35 2.796 15.089 8.183 1.00 0.00 N ATOM 0 H LYS A 35 1.544 8.461 6.730 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.291 10.683 7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.221 10.225 7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.597 10.915 6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.730 12.375 8.199 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.461 12.443 8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.784 13.286 6.146 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.052 13.228 5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.650 15.504 6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.735 14.831 7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.752 16.096 8.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.711 14.511 9.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.705 14.888 7.719 1.00 0.00 H new ATOM 546 N ARG A 36 -0.354 11.733 4.800 1.00 0.00 N ATOM 547 CA ARG A 36 -0.658 12.141 3.419 1.00 0.00 C ATOM 548 C ARG A 36 0.615 12.525 2.631 1.00 0.00 C ATOM 549 O ARG A 36 0.616 12.579 1.402 1.00 0.00 O ATOM 550 CB ARG A 36 -1.681 13.287 3.420 1.00 0.00 C ATOM 551 CG ARG A 36 -2.109 13.741 2.035 1.00 0.00 C ATOM 552 CD ARG A 36 -3.222 14.772 2.101 1.00 0.00 C ATOM 553 NE ARG A 36 -4.486 14.197 2.565 1.00 0.00 N ATOM 554 CZ ARG A 36 -5.674 14.801 2.443 1.00 0.00 C ATOM 555 NH1 ARG A 36 -5.754 16.020 1.921 1.00 0.00 N ATOM 556 NH2 ARG A 36 -6.779 14.187 2.847 1.00 0.00 N ATOM 0 H ARG A 36 -0.742 12.350 5.514 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.093 11.284 2.906 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.564 12.970 3.975 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.257 14.137 3.954 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.252 14.163 1.510 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.444 12.880 1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.926 15.580 2.770 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.366 15.211 1.114 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.459 13.279 3.009 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.908 16.499 1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.661 16.477 1.830 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.724 13.252 3.252 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.683 14.650 2.753 1.00 0.00 H new ATOM 570 N HIS A 37 1.701 12.771 3.341 1.00 0.00 N ATOM 571 CA HIS A 37 2.975 13.095 2.705 1.00 0.00 C ATOM 572 C HIS A 37 3.912 11.901 2.767 1.00 0.00 C ATOM 573 O HIS A 37 5.052 11.960 2.321 1.00 0.00 O ATOM 574 CB HIS A 37 3.623 14.310 3.367 1.00 0.00 C ATOM 575 CG HIS A 37 3.639 15.529 2.496 1.00 0.00 C ATOM 576 ND1 HIS A 37 2.793 16.599 2.680 1.00 0.00 N ATOM 577 CD2 HIS A 37 4.412 15.845 1.432 1.00 0.00 C ATOM 578 CE1 HIS A 37 3.043 17.518 1.769 1.00 0.00 C ATOM 579 NE2 HIS A 37 4.021 17.086 0.999 1.00 0.00 N ATOM 0 H HIS A 37 1.731 12.754 4.360 1.00 0.00 H new ATOM 0 HA HIS A 37 2.781 13.339 1.660 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.089 14.539 4.289 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.646 14.059 3.646 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.192 15.234 1.003 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.533 18.465 1.670 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.422 17.592 0.209 1.00 0.00 H new ATOM 588 N THR A 38 3.416 10.814 3.322 1.00 0.00 N ATOM 589 CA THR A 38 4.170 9.593 3.446 1.00 0.00 C ATOM 590 C THR A 38 3.987 8.734 2.193 1.00 0.00 C ATOM 591 O THR A 38 2.871 8.558 1.723 1.00 0.00 O ATOM 592 CB THR A 38 3.717 8.813 4.705 1.00 0.00 C ATOM 593 OG1 THR A 38 4.238 9.446 5.882 1.00 0.00 O ATOM 594 CG2 THR A 38 4.163 7.365 4.659 1.00 0.00 C ATOM 0 H THR A 38 2.471 10.757 3.701 1.00 0.00 H new ATOM 0 HA THR A 38 5.227 9.839 3.550 1.00 0.00 H new ATOM 0 HB THR A 38 2.627 8.825 4.731 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.948 8.950 6.676 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.826 6.852 5.560 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.734 6.880 3.783 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.251 7.321 4.602 1.00 0.00 H new ATOM 602 N PRO A 39 5.088 8.198 1.639 1.00 0.00 N ATOM 603 CA PRO A 39 5.045 7.389 0.417 1.00 0.00 C ATOM 604 C PRO A 39 4.244 6.099 0.596 1.00 0.00 C ATOM 605 O PRO A 39 4.237 5.490 1.674 1.00 0.00 O ATOM 606 CB PRO A 39 6.521 7.075 0.133 1.00 0.00 C ATOM 607 CG PRO A 39 7.207 7.247 1.445 1.00 0.00 C ATOM 608 CD PRO A 39 6.457 8.326 2.169 1.00 0.00 C ATOM 0 HA PRO A 39 4.549 7.917 -0.397 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.643 6.061 -0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.931 7.749 -0.619 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.198 6.317 2.014 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.252 7.525 1.305 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.486 8.181 3.249 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.876 9.312 1.968 1.00 0.00 H new ATOM 616 N LEU A 40 3.573 5.677 -0.468 1.00 0.00 N ATOM 617 CA LEU A 40 2.748 4.477 -0.451 1.00 0.00 C ATOM 618 C LEU A 40 3.579 3.219 -0.243 1.00 0.00 C ATOM 619 O LEU A 40 3.046 2.161 0.086 1.00 0.00 O ATOM 620 CB LEU A 40 1.922 4.357 -1.734 1.00 0.00 C ATOM 621 CG LEU A 40 0.948 5.505 -2.016 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.018 5.140 -3.153 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.150 5.863 -0.771 1.00 0.00 C ATOM 0 H LEU A 40 3.586 6.158 -1.368 1.00 0.00 H new ATOM 0 HA LEU A 40 2.068 4.573 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.608 4.273 -2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.354 3.428 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 40 1.530 6.379 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.668 5.966 -3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.602 4.941 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.551 4.249 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.533 6.681 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.421 4.994 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.832 6.171 0.022 1.00 0.00 H new ATOM 635 N SER A 41 4.894 3.336 -0.423 1.00 0.00 N ATOM 636 CA SER A 41 5.806 2.214 -0.297 1.00 0.00 C ATOM 637 C SER A 41 5.642 1.545 1.048 1.00 0.00 C ATOM 638 O SER A 41 5.776 0.328 1.177 1.00 0.00 O ATOM 639 CB SER A 41 7.243 2.699 -0.473 1.00 0.00 C ATOM 640 OG SER A 41 7.489 3.843 0.331 1.00 0.00 O ATOM 0 H SER A 41 5.352 4.216 -0.661 1.00 0.00 H new ATOM 0 HA SER A 41 5.576 1.484 -1.073 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.936 1.903 -0.203 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.425 2.939 -1.521 1.00 0.00 H new ATOM 0 HG SER A 41 8.415 4.138 0.206 1.00 0.00 H new ATOM 646 N LYS A 42 5.322 2.342 2.047 1.00 0.00 N ATOM 647 CA LYS A 42 5.128 1.856 3.387 1.00 0.00 C ATOM 648 C LYS A 42 4.042 0.789 3.420 1.00 0.00 C ATOM 649 O LYS A 42 4.270 -0.329 3.874 1.00 0.00 O ATOM 650 CB LYS A 42 4.751 3.019 4.302 1.00 0.00 C ATOM 651 CG LYS A 42 5.717 4.201 4.226 1.00 0.00 C ATOM 652 CD LYS A 42 7.144 3.788 4.547 1.00 0.00 C ATOM 653 CE LYS A 42 7.222 3.148 5.910 1.00 0.00 C ATOM 654 NZ LYS A 42 8.606 2.778 6.278 1.00 0.00 N ATOM 0 H LYS A 42 5.190 3.348 1.946 1.00 0.00 H new ATOM 0 HA LYS A 42 6.057 1.407 3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.750 3.363 4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.709 2.661 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.681 4.636 3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.398 4.976 4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.504 3.090 3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.797 4.660 4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.822 3.835 6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.593 2.258 5.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.609 2.342 7.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.981 2.101 5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.202 3.630 6.288 1.00 0.00 H new ATOM 668 N LEU A 43 2.869 1.114 2.895 1.00 0.00 N ATOM 669 CA LEU A 43 1.772 0.166 2.886 1.00 0.00 C ATOM 670 C LEU A 43 1.965 -0.895 1.819 1.00 0.00 C ATOM 671 O LEU A 43 1.540 -2.032 1.986 1.00 0.00 O ATOM 672 CB LEU A 43 0.394 0.865 2.766 1.00 0.00 C ATOM 673 CG LEU A 43 0.134 1.757 1.534 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.112 0.925 0.282 1.00 0.00 C ATOM 675 CD2 LEU A 43 -1.054 2.653 1.795 1.00 0.00 C ATOM 0 H LEU A 43 2.657 2.019 2.474 1.00 0.00 H new ATOM 0 HA LEU A 43 1.779 -0.340 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.374 0.092 2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.253 1.478 3.656 1.00 0.00 H new ATOM 0 HG LEU A 43 1.024 2.363 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.291 1.587 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.761 0.305 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.982 0.287 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.234 3.281 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.935 2.042 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.851 3.284 2.661 1.00 0.00 H new ATOM 687 N MET A 44 2.607 -0.518 0.710 1.00 0.00 N ATOM 688 CA MET A 44 2.824 -1.443 -0.398 1.00 0.00 C ATOM 689 C MET A 44 3.574 -2.680 0.049 1.00 0.00 C ATOM 690 O MET A 44 3.096 -3.800 -0.107 1.00 0.00 O ATOM 691 CB MET A 44 3.618 -0.769 -1.509 1.00 0.00 C ATOM 692 CG MET A 44 2.830 0.192 -2.365 1.00 0.00 C ATOM 693 SD MET A 44 3.824 0.846 -3.712 1.00 0.00 S ATOM 694 CE MET A 44 2.647 1.922 -4.513 1.00 0.00 C ATOM 0 H MET A 44 2.983 0.418 0.559 1.00 0.00 H new ATOM 0 HA MET A 44 1.841 -1.737 -0.766 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.455 -0.232 -1.062 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.042 -1.541 -2.152 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.955 -0.315 -2.771 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.465 1.014 -1.749 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.594 1.677 -5.574 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.665 1.788 -4.060 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.963 2.959 -4.395 1.00 0.00 H new ATOM 704 N LYS A 45 4.744 -2.483 0.622 1.00 0.00 N ATOM 705 CA LYS A 45 5.543 -3.593 1.081 1.00 0.00 C ATOM 706 C LYS A 45 4.926 -4.232 2.322 1.00 0.00 C ATOM 707 O LYS A 45 4.974 -5.445 2.490 1.00 0.00 O ATOM 708 CB LYS A 45 6.998 -3.172 1.346 1.00 0.00 C ATOM 709 CG LYS A 45 7.802 -2.810 0.093 1.00 0.00 C ATOM 710 CD LYS A 45 7.313 -1.527 -0.553 1.00 0.00 C ATOM 711 CE LYS A 45 8.172 -1.125 -1.737 1.00 0.00 C ATOM 712 NZ LYS A 45 9.556 -0.788 -1.333 1.00 0.00 N ATOM 0 H LYS A 45 5.159 -1.565 0.779 1.00 0.00 H new ATOM 0 HA LYS A 45 5.557 -4.338 0.285 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.996 -2.315 2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.507 -3.984 1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.854 -2.703 0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.735 -3.625 -0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.281 -1.656 -0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.315 -0.725 0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.194 -1.940 -2.461 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.722 -0.267 -2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.974 -0.142 -2.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.543 -0.328 -0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.124 -1.658 -1.282 1.00 0.00 H new ATOM 726 N ALA A 46 4.305 -3.412 3.179 1.00 0.00 N ATOM 727 CA ALA A 46 3.684 -3.915 4.406 1.00 0.00 C ATOM 728 C ALA A 46 2.575 -4.901 4.082 1.00 0.00 C ATOM 729 O ALA A 46 2.493 -5.979 4.671 1.00 0.00 O ATOM 730 CB ALA A 46 3.143 -2.775 5.244 1.00 0.00 C ATOM 0 H ALA A 46 4.220 -2.404 3.045 1.00 0.00 H new ATOM 0 HA ALA A 46 4.451 -4.432 4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.687 -3.174 6.150 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.958 -2.103 5.514 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.395 -2.226 4.672 1.00 0.00 H new ATOM 736 N TYR A 47 1.714 -4.527 3.139 1.00 0.00 N ATOM 737 CA TYR A 47 0.630 -5.386 2.685 1.00 0.00 C ATOM 738 C TYR A 47 1.171 -6.725 2.226 1.00 0.00 C ATOM 739 O TYR A 47 0.706 -7.777 2.649 1.00 0.00 O ATOM 740 CB TYR A 47 -0.147 -4.702 1.541 1.00 0.00 C ATOM 741 CG TYR A 47 -1.042 -5.631 0.739 1.00 0.00 C ATOM 742 CD1 TYR A 47 -0.558 -6.299 -0.386 1.00 0.00 C ATOM 743 CD2 TYR A 47 -2.369 -5.834 1.098 1.00 0.00 C ATOM 744 CE1 TYR A 47 -1.366 -7.140 -1.122 1.00 0.00 C ATOM 745 CE2 TYR A 47 -3.187 -6.674 0.366 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.677 -7.326 -0.745 1.00 0.00 C ATOM 747 OH TYR A 47 -3.483 -8.161 -1.481 1.00 0.00 O ATOM 0 H TYR A 47 1.750 -3.622 2.671 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.051 -5.557 3.519 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.759 -3.904 1.962 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.567 -4.233 0.864 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.469 -6.155 -0.686 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.768 -5.327 1.964 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.973 -7.650 -1.989 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.216 -6.821 0.658 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.421 -8.004 -1.243 1.00 0.00 H new ATOM 757 N CYS A 48 2.166 -6.684 1.381 1.00 0.00 N ATOM 758 CA CYS A 48 2.757 -7.883 0.838 1.00 0.00 C ATOM 759 C CYS A 48 3.396 -8.734 1.926 1.00 0.00 C ATOM 760 O CYS A 48 3.259 -9.955 1.933 1.00 0.00 O ATOM 761 CB CYS A 48 3.770 -7.504 -0.210 1.00 0.00 C ATOM 762 SG CYS A 48 3.074 -6.500 -1.518 1.00 0.00 S ATOM 0 H CYS A 48 2.592 -5.819 1.048 1.00 0.00 H new ATOM 0 HA CYS A 48 1.971 -8.486 0.383 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.588 -6.961 0.262 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.196 -8.410 -0.641 1.00 0.00 H new ATOM 0 HG CYS A 48 3.963 -5.644 -1.928 1.00 0.00 H new ATOM 768 N GLU A 49 4.063 -8.091 2.863 1.00 0.00 N ATOM 769 CA GLU A 49 4.716 -8.789 3.954 1.00 0.00 C ATOM 770 C GLU A 49 3.715 -9.514 4.848 1.00 0.00 C ATOM 771 O GLU A 49 3.995 -10.594 5.355 1.00 0.00 O ATOM 772 CB GLU A 49 5.564 -7.823 4.778 1.00 0.00 C ATOM 773 CG GLU A 49 6.800 -7.335 4.048 1.00 0.00 C ATOM 774 CD GLU A 49 7.738 -6.553 4.936 1.00 0.00 C ATOM 775 OE1 GLU A 49 8.365 -7.160 5.827 1.00 0.00 O ATOM 776 OE2 GLU A 49 7.881 -5.334 4.732 1.00 0.00 O ATOM 0 H GLU A 49 4.168 -7.077 2.891 1.00 0.00 H new ATOM 0 HA GLU A 49 5.367 -9.544 3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.954 -6.964 5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.867 -8.315 5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.331 -8.191 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.496 -6.709 3.209 1.00 0.00 H new ATOM 783 N ARG A 50 2.542 -8.934 5.032 1.00 0.00 N ATOM 784 CA ARG A 50 1.526 -9.534 5.887 1.00 0.00 C ATOM 785 C ARG A 50 0.607 -10.482 5.108 1.00 0.00 C ATOM 786 O ARG A 50 0.040 -11.407 5.676 1.00 0.00 O ATOM 787 CB ARG A 50 0.703 -8.441 6.595 1.00 0.00 C ATOM 788 CG ARG A 50 0.042 -7.452 5.651 1.00 0.00 C ATOM 789 CD ARG A 50 -0.525 -6.253 6.393 1.00 0.00 C ATOM 790 NE ARG A 50 0.502 -5.532 7.156 1.00 0.00 N ATOM 791 CZ ARG A 50 0.239 -4.623 8.104 1.00 0.00 C ATOM 792 NH1 ARG A 50 -1.019 -4.339 8.433 1.00 0.00 N ATOM 793 NH2 ARG A 50 1.236 -4.007 8.726 1.00 0.00 N ATOM 0 H ARG A 50 2.267 -8.050 4.603 1.00 0.00 H new ATOM 0 HA ARG A 50 2.043 -10.130 6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.067 -8.917 7.202 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.355 -7.895 7.277 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.769 -7.112 4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.757 -7.951 5.103 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.988 -5.572 5.679 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.311 -6.587 7.071 1.00 0.00 H new ATOM 0 HE ARG A 50 1.480 -5.737 6.951 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.789 -4.815 7.962 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.213 -3.646 9.156 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.202 -4.226 8.482 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.036 -3.315 9.448 1.00 0.00 H new ATOM 807 N GLN A 51 0.462 -10.258 3.805 1.00 0.00 N ATOM 808 CA GLN A 51 -0.428 -11.094 2.983 1.00 0.00 C ATOM 809 C GLN A 51 0.317 -12.237 2.312 1.00 0.00 C ATOM 810 O GLN A 51 -0.286 -13.197 1.834 1.00 0.00 O ATOM 811 CB GLN A 51 -1.160 -10.246 1.942 1.00 0.00 C ATOM 812 CG GLN A 51 -2.102 -9.234 2.558 1.00 0.00 C ATOM 813 CD GLN A 51 -3.056 -9.870 3.540 1.00 0.00 C ATOM 814 OE1 GLN A 51 -4.170 -10.254 3.191 1.00 0.00 O ATOM 815 NE2 GLN A 51 -2.611 -10.005 4.773 1.00 0.00 N ATOM 0 H GLN A 51 0.940 -9.516 3.294 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.163 -11.536 3.656 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.427 -9.724 1.327 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.724 -10.902 1.279 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.523 -8.462 3.064 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.670 -8.741 1.769 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.679 -9.671 5.018 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.199 -10.443 5.482 1.00 0.00 H new ATOM 824 N GLY A 52 1.622 -12.131 2.272 1.00 0.00 N ATOM 825 CA GLY A 52 2.434 -13.165 1.659 1.00 0.00 C ATOM 826 C GLY A 52 2.587 -12.964 0.164 1.00 0.00 C ATOM 827 O GLY A 52 2.633 -13.927 -0.607 1.00 0.00 O ATOM 0 H GLY A 52 2.148 -11.345 2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.419 -13.174 2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.982 -14.139 1.848 1.00 0.00 H new ATOM 831 N LEU A 53 2.676 -11.713 -0.255 1.00 0.00 N ATOM 832 CA LEU A 53 2.814 -11.384 -1.669 1.00 0.00 C ATOM 833 C LEU A 53 4.170 -10.758 -1.948 1.00 0.00 C ATOM 834 O LEU A 53 4.799 -10.182 -1.067 1.00 0.00 O ATOM 835 CB LEU A 53 1.694 -10.434 -2.145 1.00 0.00 C ATOM 836 CG LEU A 53 0.338 -11.070 -2.510 1.00 0.00 C ATOM 837 CD1 LEU A 53 0.515 -12.229 -3.478 1.00 0.00 C ATOM 838 CD2 LEU A 53 -0.421 -11.509 -1.273 1.00 0.00 C ATOM 0 H LEU A 53 2.655 -10.903 0.365 1.00 0.00 H new ATOM 0 HA LEU A 53 2.730 -12.318 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.521 -9.696 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.059 -9.892 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.256 -10.304 -3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.459 -12.656 -3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.987 -11.870 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.144 -12.992 -3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.372 -11.953 -1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.169 -12.245 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.606 -10.645 -0.634 1.00 0.00 H new ATOM 850 N SER A 54 4.630 -10.893 -3.171 1.00 0.00 N ATOM 851 CA SER A 54 5.890 -10.321 -3.582 1.00 0.00 C ATOM 852 C SER A 54 5.687 -9.086 -4.451 1.00 0.00 C ATOM 853 O SER A 54 4.861 -9.086 -5.357 1.00 0.00 O ATOM 854 CB SER A 54 6.688 -11.359 -4.341 1.00 0.00 C ATOM 855 OG SER A 54 7.354 -12.239 -3.456 1.00 0.00 O ATOM 0 H SER A 54 4.141 -11.402 -3.907 1.00 0.00 H new ATOM 0 HA SER A 54 6.433 -10.013 -2.689 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.024 -11.927 -4.992 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.417 -10.864 -4.983 1.00 0.00 H new ATOM 0 HG SER A 54 7.861 -12.900 -3.972 1.00 0.00 H new ATOM 861 N MET A 55 6.477 -8.042 -4.195 1.00 0.00 N ATOM 862 CA MET A 55 6.387 -6.783 -4.949 1.00 0.00 C ATOM 863 C MET A 55 6.737 -7.001 -6.429 1.00 0.00 C ATOM 864 O MET A 55 6.341 -6.228 -7.295 1.00 0.00 O ATOM 865 CB MET A 55 7.327 -5.722 -4.338 1.00 0.00 C ATOM 866 CG MET A 55 7.081 -5.438 -2.863 1.00 0.00 C ATOM 867 SD MET A 55 5.434 -4.780 -2.538 1.00 0.00 S ATOM 868 CE MET A 55 5.498 -3.205 -3.382 1.00 0.00 C ATOM 0 H MET A 55 7.192 -8.041 -3.467 1.00 0.00 H new ATOM 0 HA MET A 55 5.359 -6.427 -4.886 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.358 -6.052 -4.465 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.218 -4.793 -4.897 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.218 -6.357 -2.294 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.827 -4.728 -2.506 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.495 -2.922 -3.700 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.892 -2.446 -2.706 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.146 -3.286 -4.254 1.00 0.00 H new ATOM 878 N ARG A 56 7.479 -8.069 -6.716 1.00 0.00 N ATOM 879 CA ARG A 56 7.875 -8.380 -8.092 1.00 0.00 C ATOM 880 C ARG A 56 6.765 -9.138 -8.803 1.00 0.00 C ATOM 881 O ARG A 56 6.617 -9.064 -10.018 1.00 0.00 O ATOM 882 CB ARG A 56 9.163 -9.228 -8.140 1.00 0.00 C ATOM 883 CG ARG A 56 10.339 -8.671 -7.352 1.00 0.00 C ATOM 884 CD ARG A 56 10.337 -9.170 -5.912 1.00 0.00 C ATOM 885 NE ARG A 56 10.501 -10.628 -5.822 1.00 0.00 N ATOM 886 CZ ARG A 56 10.354 -11.331 -4.691 1.00 0.00 C ATOM 887 NH1 ARG A 56 10.061 -10.717 -3.553 1.00 0.00 N ATOM 888 NH2 ARG A 56 10.512 -12.645 -4.701 1.00 0.00 N ATOM 0 H ARG A 56 7.818 -8.732 -6.019 1.00 0.00 H new ATOM 0 HA ARG A 56 8.063 -7.430 -8.592 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.935 -10.226 -7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.465 -9.341 -9.181 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.272 -8.960 -7.836 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.300 -7.582 -7.360 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.141 -8.682 -5.361 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.401 -8.882 -5.432 1.00 0.00 H new ATOM 0 HE ARG A 56 10.742 -11.136 -6.673 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.946 -9.704 -3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.950 -11.258 -2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.746 -13.124 -5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.400 -13.179 -3.839 1.00 0.00 H new ATOM 902 N GLN A 57 5.981 -9.877 -8.034 1.00 0.00 N ATOM 903 CA GLN A 57 4.918 -10.703 -8.589 1.00 0.00 C ATOM 904 C GLN A 57 3.591 -9.979 -8.603 1.00 0.00 C ATOM 905 O GLN A 57 2.626 -10.445 -9.204 1.00 0.00 O ATOM 906 CB GLN A 57 4.777 -12.011 -7.805 1.00 0.00 C ATOM 907 CG GLN A 57 5.784 -13.072 -8.176 1.00 0.00 C ATOM 908 CD GLN A 57 7.017 -12.996 -7.337 1.00 0.00 C ATOM 909 OE1 GLN A 57 7.112 -13.636 -6.301 1.00 0.00 O ATOM 910 NE2 GLN A 57 7.959 -12.214 -7.762 1.00 0.00 N ATOM 0 H GLN A 57 6.061 -9.922 -7.018 1.00 0.00 H new ATOM 0 HA GLN A 57 5.197 -10.927 -9.619 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.871 -11.794 -6.741 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.774 -12.408 -7.962 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.330 -14.057 -8.064 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.054 -12.963 -9.226 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.839 -11.697 -8.633 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.821 -12.115 -7.225 1.00 0.00 H new ATOM 919 N ILE A 58 3.514 -8.843 -7.937 1.00 0.00 N ATOM 920 CA ILE A 58 2.265 -8.114 -7.876 1.00 0.00 C ATOM 921 C ILE A 58 2.459 -6.661 -8.281 1.00 0.00 C ATOM 922 O ILE A 58 3.583 -6.192 -8.433 1.00 0.00 O ATOM 923 CB ILE A 58 1.621 -8.169 -6.466 1.00 0.00 C ATOM 924 CG1 ILE A 58 2.284 -7.178 -5.519 1.00 0.00 C ATOM 925 CG2 ILE A 58 1.724 -9.576 -5.894 1.00 0.00 C ATOM 926 CD1 ILE A 58 1.536 -7.018 -4.224 1.00 0.00 C ATOM 0 H ILE A 58 4.291 -8.411 -7.437 1.00 0.00 H new ATOM 0 HA ILE A 58 1.591 -8.602 -8.580 1.00 0.00 H new ATOM 0 HB ILE A 58 0.570 -7.897 -6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.301 -7.509 -5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.361 -6.208 -6.011 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.268 -9.601 -4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.205 -10.274 -6.550 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.773 -9.862 -5.818 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.056 -6.300 -3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.527 -6.658 -4.428 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.482 -7.980 -3.714 1.00 0.00 H new ATOM 938 N ARG A 59 1.364 -5.948 -8.443 1.00 0.00 N ATOM 939 CA ARG A 59 1.411 -4.562 -8.844 1.00 0.00 C ATOM 940 C ARG A 59 0.244 -3.803 -8.248 1.00 0.00 C ATOM 941 O ARG A 59 -0.893 -4.287 -8.236 1.00 0.00 O ATOM 942 CB ARG A 59 1.408 -4.441 -10.376 1.00 0.00 C ATOM 943 CG ARG A 59 1.519 -3.010 -10.900 1.00 0.00 C ATOM 944 CD ARG A 59 2.766 -2.300 -10.371 1.00 0.00 C ATOM 945 NE ARG A 59 3.998 -3.038 -10.665 1.00 0.00 N ATOM 946 CZ ARG A 59 5.222 -2.491 -10.682 1.00 0.00 C ATOM 947 NH1 ARG A 59 5.381 -1.194 -10.427 1.00 0.00 N ATOM 948 NH2 ARG A 59 6.279 -3.247 -10.945 1.00 0.00 N ATOM 0 H ARG A 59 0.422 -6.313 -8.301 1.00 0.00 H new ATOM 0 HA ARG A 59 2.337 -4.125 -8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.237 -5.026 -10.775 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.490 -4.885 -10.761 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.545 -3.024 -11.990 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.631 -2.448 -10.610 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.828 -1.305 -10.812 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.675 -2.166 -9.293 1.00 0.00 H new ATOM 0 HE ARG A 59 3.919 -4.034 -10.870 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.570 -0.612 -10.218 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.314 -0.782 -10.441 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.160 -4.242 -11.134 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.211 -2.833 -10.959 1.00 0.00 H new ATOM 962 N PHE A 60 0.530 -2.626 -7.734 1.00 0.00 N ATOM 963 CA PHE A 60 -0.476 -1.769 -7.140 1.00 0.00 C ATOM 964 C PHE A 60 -1.063 -0.822 -8.184 1.00 0.00 C ATOM 965 O PHE A 60 -0.343 -0.279 -9.034 1.00 0.00 O ATOM 966 CB PHE A 60 0.137 -0.960 -5.993 1.00 0.00 C ATOM 967 CG PHE A 60 0.216 -1.688 -4.679 1.00 0.00 C ATOM 968 CD1 PHE A 60 0.829 -2.927 -4.582 1.00 0.00 C ATOM 969 CD2 PHE A 60 -0.324 -1.125 -3.536 1.00 0.00 C ATOM 970 CE1 PHE A 60 0.897 -3.587 -3.370 1.00 0.00 C ATOM 971 CE2 PHE A 60 -0.258 -1.777 -2.327 1.00 0.00 C ATOM 972 CZ PHE A 60 0.351 -3.012 -2.241 1.00 0.00 C ATOM 0 H PHE A 60 1.471 -2.234 -7.716 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.277 -2.397 -6.751 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.141 -0.651 -6.282 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.449 -0.051 -5.854 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.258 -3.381 -5.463 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.804 -0.159 -3.594 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.377 -4.552 -3.307 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.683 -1.322 -1.444 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.400 -3.527 -1.293 1.00 0.00 H new ATOM 982 N ARG A 61 -2.364 -0.629 -8.132 1.00 0.00 N ATOM 983 CA ARG A 61 -3.048 0.267 -9.046 1.00 0.00 C ATOM 984 C ARG A 61 -4.154 1.031 -8.326 1.00 0.00 C ATOM 985 O ARG A 61 -4.850 0.485 -7.478 1.00 0.00 O ATOM 986 CB ARG A 61 -3.627 -0.518 -10.229 1.00 0.00 C ATOM 987 CG ARG A 61 -4.564 0.291 -11.114 1.00 0.00 C ATOM 988 CD ARG A 61 -5.084 -0.531 -12.279 1.00 0.00 C ATOM 989 NE ARG A 61 -4.019 -0.879 -13.223 1.00 0.00 N ATOM 990 CZ ARG A 61 -4.206 -1.599 -14.331 1.00 0.00 C ATOM 991 NH1 ARG A 61 -5.415 -2.076 -14.624 1.00 0.00 N ATOM 992 NH2 ARG A 61 -3.182 -1.846 -15.144 1.00 0.00 N ATOM 0 H ARG A 61 -2.978 -1.086 -7.458 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.324 0.988 -9.425 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.805 -0.895 -10.838 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.165 -1.386 -9.847 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.404 0.653 -10.520 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.040 1.168 -11.493 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.546 -1.443 -11.902 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.861 0.029 -12.799 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.075 -0.550 -13.021 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.201 -1.891 -14.001 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.555 -2.626 -15.472 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.255 -1.485 -14.920 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.324 -2.396 -15.991 1.00 0.00 H new ATOM 1006 N PHE A 62 -4.309 2.293 -8.658 1.00 0.00 N ATOM 1007 CA PHE A 62 -5.331 3.126 -8.055 1.00 0.00 C ATOM 1008 C PHE A 62 -5.833 4.118 -9.077 1.00 0.00 C ATOM 1009 O PHE A 62 -5.040 4.704 -9.798 1.00 0.00 O ATOM 1010 CB PHE A 62 -4.756 3.868 -6.846 1.00 0.00 C ATOM 1011 CG PHE A 62 -5.748 4.754 -6.144 1.00 0.00 C ATOM 1012 CD1 PHE A 62 -6.556 4.246 -5.150 1.00 0.00 C ATOM 1013 CD2 PHE A 62 -5.866 6.096 -6.479 1.00 0.00 C ATOM 1014 CE1 PHE A 62 -7.464 5.054 -4.495 1.00 0.00 C ATOM 1015 CE2 PHE A 62 -6.774 6.910 -5.831 1.00 0.00 C ATOM 1016 CZ PHE A 62 -7.574 6.388 -4.837 1.00 0.00 C ATOM 0 H PHE A 62 -3.734 2.772 -9.351 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.158 2.499 -7.720 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.369 3.138 -6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.911 4.474 -7.173 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.478 3.203 -4.880 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.240 6.509 -7.256 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.088 4.643 -3.715 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.857 7.952 -6.102 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.285 7.021 -4.327 1.00 0.00 H new ATOM 1026 N ASP A 63 -7.156 4.281 -9.174 1.00 0.00 N ATOM 1027 CA ASP A 63 -7.776 5.247 -10.098 1.00 0.00 C ATOM 1028 C ASP A 63 -7.596 4.801 -11.530 1.00 0.00 C ATOM 1029 O ASP A 63 -7.574 5.602 -12.462 1.00 0.00 O ATOM 1030 CB ASP A 63 -7.203 6.651 -9.912 1.00 0.00 C ATOM 1031 CG ASP A 63 -8.151 7.728 -10.416 1.00 0.00 C ATOM 1032 OD1 ASP A 63 -9.361 7.656 -10.102 1.00 0.00 O ATOM 1033 OD2 ASP A 63 -7.696 8.654 -11.115 1.00 0.00 O ATOM 0 H ASP A 63 -7.828 3.752 -8.619 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.840 5.284 -9.866 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.993 6.819 -8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.254 6.728 -10.442 1.00 0.00 H new ATOM 1038 N GLY A 64 -7.480 3.501 -11.711 1.00 0.00 N ATOM 1039 CA GLY A 64 -7.278 2.955 -13.030 1.00 0.00 C ATOM 1040 C GLY A 64 -5.847 3.095 -13.504 1.00 0.00 C ATOM 1041 O GLY A 64 -5.472 2.546 -14.541 1.00 0.00 O ATOM 0 H GLY A 64 -7.522 2.809 -10.963 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.555 1.901 -13.029 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.941 3.459 -13.733 1.00 0.00 H new ATOM 1045 N GLN A 65 -5.025 3.800 -12.743 1.00 0.00 N ATOM 1046 CA GLN A 65 -3.641 4.002 -13.132 1.00 0.00 C ATOM 1047 C GLN A 65 -2.699 3.253 -12.194 1.00 0.00 C ATOM 1048 O GLN A 65 -2.939 3.177 -10.987 1.00 0.00 O ATOM 1049 CB GLN A 65 -3.296 5.494 -13.165 1.00 0.00 C ATOM 1050 CG GLN A 65 -3.661 6.228 -11.898 1.00 0.00 C ATOM 1051 CD GLN A 65 -3.133 7.636 -11.853 1.00 0.00 C ATOM 1052 OE1 GLN A 65 -2.972 8.292 -12.879 1.00 0.00 O ATOM 1053 NE2 GLN A 65 -2.849 8.104 -10.661 1.00 0.00 N ATOM 0 H GLN A 65 -5.290 4.238 -11.861 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.512 3.600 -14.137 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.227 5.607 -13.345 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.812 5.959 -14.005 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.746 6.251 -11.799 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.275 5.675 -11.042 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.999 7.523 -9.836 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.478 9.049 -10.559 1.00 0.00 H new ATOM 1062 N PRO A 66 -1.636 2.652 -12.739 1.00 0.00 N ATOM 1063 CA PRO A 66 -0.648 1.940 -11.937 1.00 0.00 C ATOM 1064 C PRO A 66 0.200 2.906 -11.119 1.00 0.00 C ATOM 1065 O PRO A 66 0.599 3.969 -11.605 1.00 0.00 O ATOM 1066 CB PRO A 66 0.206 1.212 -12.978 1.00 0.00 C ATOM 1067 CG PRO A 66 0.064 2.019 -14.222 1.00 0.00 C ATOM 1068 CD PRO A 66 -1.313 2.624 -14.180 1.00 0.00 C ATOM 0 HA PRO A 66 -1.104 1.265 -11.213 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.248 1.152 -12.663 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.141 0.190 -13.128 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.828 2.795 -14.271 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.187 1.394 -15.107 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.325 3.624 -14.613 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.031 2.025 -14.740 1.00 0.00 H new ATOM 1076 N ILE A 67 0.479 2.547 -9.885 1.00 0.00 N ATOM 1077 CA ILE A 67 1.250 3.411 -9.007 1.00 0.00 C ATOM 1078 C ILE A 67 2.602 2.809 -8.673 1.00 0.00 C ATOM 1079 O ILE A 67 2.789 1.585 -8.710 1.00 0.00 O ATOM 1080 CB ILE A 67 0.485 3.747 -7.706 1.00 0.00 C ATOM 1081 CG1 ILE A 67 -0.081 2.474 -7.061 1.00 0.00 C ATOM 1082 CG2 ILE A 67 -0.624 4.750 -7.995 1.00 0.00 C ATOM 1083 CD1 ILE A 67 -0.909 2.726 -5.814 1.00 0.00 C ATOM 0 H ILE A 67 0.186 1.665 -9.464 1.00 0.00 H new ATOM 0 HA ILE A 67 1.411 4.339 -9.555 1.00 0.00 H new ATOM 0 HB ILE A 67 1.182 4.196 -6.999 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.697 1.952 -7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.745 1.810 -6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.156 4.980 -7.072 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.191 5.664 -8.401 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.319 4.325 -8.719 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.272 1.777 -5.420 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.293 3.220 -5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.758 3.363 -6.063 1.00 0.00 H new ATOM 1095 N ASN A 68 3.549 3.668 -8.370 1.00 0.00 N ATOM 1096 CA ASN A 68 4.893 3.260 -8.011 1.00 0.00 C ATOM 1097 C ASN A 68 5.134 3.487 -6.544 1.00 0.00 C ATOM 1098 O ASN A 68 4.558 4.376 -5.952 1.00 0.00 O ATOM 1099 CB ASN A 68 5.954 4.012 -8.836 1.00 0.00 C ATOM 1100 CG ASN A 68 5.630 5.482 -9.103 1.00 0.00 C ATOM 1101 OD1 ASN A 68 4.982 6.139 -8.168 1.00 0.00 O flip ATOM 1102 ND2 ASN A 68 5.984 6.021 -10.149 1.00 0.00 N flip ATOM 0 H ASN A 68 3.409 4.678 -8.365 1.00 0.00 H new ATOM 0 HA ASN A 68 4.983 2.197 -8.233 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.909 3.953 -8.314 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.081 3.502 -9.791 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.486 5.483 -10.856 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.776 7.006 -10.311 1.00 0.00 H new ATOM 1109 N GLU A 69 6.027 2.708 -5.964 1.00 0.00 N ATOM 1110 CA GLU A 69 6.319 2.799 -4.534 1.00 0.00 C ATOM 1111 C GLU A 69 6.854 4.182 -4.146 1.00 0.00 C ATOM 1112 O GLU A 69 6.898 4.541 -2.970 1.00 0.00 O ATOM 1113 CB GLU A 69 7.322 1.716 -4.137 1.00 0.00 C ATOM 1114 CG GLU A 69 8.671 1.851 -4.819 1.00 0.00 C ATOM 1115 CD GLU A 69 9.631 0.762 -4.415 1.00 0.00 C ATOM 1116 OE1 GLU A 69 10.207 0.850 -3.311 1.00 0.00 O ATOM 1117 OE2 GLU A 69 9.804 -0.197 -5.191 1.00 0.00 O ATOM 0 H GLU A 69 6.569 1.999 -6.459 1.00 0.00 H new ATOM 0 HA GLU A 69 5.384 2.646 -3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.467 1.746 -3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.901 0.739 -4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.533 1.827 -5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.103 2.821 -4.575 1.00 0.00 H new ATOM 1124 N THR A 70 7.259 4.958 -5.135 1.00 0.00 N ATOM 1125 CA THR A 70 7.810 6.268 -4.886 1.00 0.00 C ATOM 1126 C THR A 70 6.742 7.373 -4.959 1.00 0.00 C ATOM 1127 O THR A 70 7.065 8.564 -4.893 1.00 0.00 O ATOM 1128 CB THR A 70 8.978 6.584 -5.866 1.00 0.00 C ATOM 1129 OG1 THR A 70 9.534 7.873 -5.586 1.00 0.00 O ATOM 1130 CG2 THR A 70 8.509 6.539 -7.313 1.00 0.00 C ATOM 0 H THR A 70 7.214 4.698 -6.120 1.00 0.00 H new ATOM 0 HA THR A 70 8.200 6.252 -3.868 1.00 0.00 H new ATOM 0 HB THR A 70 9.743 5.821 -5.722 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.814 8.498 -5.360 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.346 6.764 -7.974 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.124 5.545 -7.540 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.720 7.276 -7.463 1.00 0.00 H new ATOM 1138 N ASP A 71 5.472 7.002 -5.074 1.00 0.00 N ATOM 1139 CA ASP A 71 4.414 8.008 -5.155 1.00 0.00 C ATOM 1140 C ASP A 71 3.874 8.334 -3.770 1.00 0.00 C ATOM 1141 O ASP A 71 4.034 7.557 -2.814 1.00 0.00 O ATOM 1142 CB ASP A 71 3.265 7.559 -6.089 1.00 0.00 C ATOM 1143 CG ASP A 71 2.147 6.833 -5.382 1.00 0.00 C ATOM 1144 OD1 ASP A 71 2.230 5.602 -5.259 1.00 0.00 O ATOM 1145 OD2 ASP A 71 1.177 7.501 -4.979 1.00 0.00 O ATOM 0 H ASP A 71 5.152 6.034 -5.113 1.00 0.00 H new ATOM 0 HA ASP A 71 4.855 8.909 -5.582 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.855 8.435 -6.591 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.673 6.910 -6.864 1.00 0.00 H new ATOM 1150 N THR A 72 3.269 9.497 -3.647 1.00 0.00 N ATOM 1151 CA THR A 72 2.677 9.928 -2.408 1.00 0.00 C ATOM 1152 C THR A 72 1.176 10.138 -2.595 1.00 0.00 C ATOM 1153 O THR A 72 0.736 10.583 -3.663 1.00 0.00 O ATOM 1154 CB THR A 72 3.322 11.241 -1.913 1.00 0.00 C ATOM 1155 OG1 THR A 72 3.198 12.257 -2.923 1.00 0.00 O ATOM 1156 CG2 THR A 72 4.794 11.029 -1.590 1.00 0.00 C ATOM 0 H THR A 72 3.176 10.169 -4.409 1.00 0.00 H new ATOM 0 HA THR A 72 2.850 9.153 -1.662 1.00 0.00 H new ATOM 0 HB THR A 72 2.804 11.557 -1.007 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.607 13.088 -2.603 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.229 11.966 -1.243 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.890 10.274 -0.810 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.318 10.695 -2.485 1.00 0.00 H new ATOM 1164 N PRO A 73 0.369 9.846 -1.556 1.00 0.00 N ATOM 1165 CA PRO A 73 -1.092 9.975 -1.623 1.00 0.00 C ATOM 1166 C PRO A 73 -1.544 11.401 -1.949 1.00 0.00 C ATOM 1167 O PRO A 73 -2.651 11.625 -2.437 1.00 0.00 O ATOM 1168 CB PRO A 73 -1.562 9.568 -0.217 1.00 0.00 C ATOM 1169 CG PRO A 73 -0.354 9.681 0.642 1.00 0.00 C ATOM 1170 CD PRO A 73 0.812 9.364 -0.242 1.00 0.00 C ATOM 0 HA PRO A 73 -1.512 9.359 -2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.360 10.221 0.137 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.956 8.552 -0.212 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.265 10.684 1.060 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.406 8.988 1.482 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.719 9.870 0.089 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.030 8.296 -0.256 1.00 0.00 H new ATOM 1178 N ALA A 74 -0.681 12.365 -1.695 1.00 0.00 N ATOM 1179 CA ALA A 74 -0.995 13.757 -1.964 1.00 0.00 C ATOM 1180 C ALA A 74 -0.782 14.097 -3.431 1.00 0.00 C ATOM 1181 O ALA A 74 -1.320 15.077 -3.938 1.00 0.00 O ATOM 1182 CB ALA A 74 -0.149 14.664 -1.093 1.00 0.00 C ATOM 0 H ALA A 74 0.247 12.210 -1.301 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.048 13.914 -1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.395 15.705 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.349 14.450 -0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.906 14.490 -1.304 1.00 0.00 H new ATOM 1188 N GLN A 75 -0.008 13.279 -4.121 1.00 0.00 N ATOM 1189 CA GLN A 75 0.306 13.527 -5.512 1.00 0.00 C ATOM 1190 C GLN A 75 -0.832 13.070 -6.412 1.00 0.00 C ATOM 1191 O GLN A 75 -1.363 13.839 -7.211 1.00 0.00 O ATOM 1192 CB GLN A 75 1.591 12.802 -5.891 1.00 0.00 C ATOM 1193 CG GLN A 75 2.186 13.254 -7.209 1.00 0.00 C ATOM 1194 CD GLN A 75 3.553 12.651 -7.476 1.00 0.00 C ATOM 1195 OE1 GLN A 75 3.776 11.442 -6.994 1.00 0.00 O flip ATOM 1196 NE2 GLN A 75 4.395 13.268 -8.120 1.00 0.00 N flip ATOM 0 H GLN A 75 0.415 12.434 -3.737 1.00 0.00 H new ATOM 0 HA GLN A 75 0.444 14.600 -5.648 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.327 12.951 -5.101 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.391 11.732 -5.942 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.510 12.982 -8.020 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.267 14.341 -7.212 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.183 14.200 -8.475 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.307 12.849 -8.300 1.00 0.00 H new ATOM 1205 N LEU A 76 -1.220 11.810 -6.271 1.00 0.00 N ATOM 1206 CA LEU A 76 -2.276 11.242 -7.108 1.00 0.00 C ATOM 1207 C LEU A 76 -3.676 11.579 -6.580 1.00 0.00 C ATOM 1208 O LEU A 76 -4.672 11.036 -7.058 1.00 0.00 O ATOM 1209 CB LEU A 76 -2.112 9.712 -7.266 1.00 0.00 C ATOM 1210 CG LEU A 76 -2.584 8.826 -6.097 1.00 0.00 C ATOM 1211 CD1 LEU A 76 -2.466 7.366 -6.471 1.00 0.00 C ATOM 1212 CD2 LEU A 76 -1.789 9.101 -4.841 1.00 0.00 C ATOM 0 H LEU A 76 -0.824 11.162 -5.590 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.174 11.702 -8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.653 9.405 -8.161 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.057 9.502 -7.444 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.628 9.066 -5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.802 6.749 -5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.084 7.163 -7.345 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.426 7.132 -6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.147 8.460 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.734 8.897 -5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.911 10.146 -4.554 1.00 0.00 H new ATOM 1224 N GLU A 77 -3.747 12.492 -5.602 1.00 0.00 N ATOM 1225 CA GLU A 77 -5.024 12.905 -4.999 1.00 0.00 C ATOM 1226 C GLU A 77 -5.763 11.713 -4.410 1.00 0.00 C ATOM 1227 O GLU A 77 -6.857 11.354 -4.852 1.00 0.00 O ATOM 1228 CB GLU A 77 -5.919 13.629 -6.017 1.00 0.00 C ATOM 1229 CG GLU A 77 -5.374 14.962 -6.485 1.00 0.00 C ATOM 1230 CD GLU A 77 -5.141 15.922 -5.341 1.00 0.00 C ATOM 1231 OE1 GLU A 77 -6.096 16.208 -4.591 1.00 0.00 O ATOM 1232 OE2 GLU A 77 -4.004 16.409 -5.197 1.00 0.00 O ATOM 0 H GLU A 77 -2.931 12.961 -5.209 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.789 13.602 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.061 12.983 -6.883 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.902 13.787 -5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.437 14.802 -7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.071 15.408 -7.194 1.00 0.00 H new ATOM 1239 N MET A 78 -5.161 11.084 -3.432 1.00 0.00 N ATOM 1240 CA MET A 78 -5.756 9.935 -2.798 1.00 0.00 C ATOM 1241 C MET A 78 -6.740 10.370 -1.740 1.00 0.00 C ATOM 1242 O MET A 78 -6.389 11.083 -0.797 1.00 0.00 O ATOM 1243 CB MET A 78 -4.677 9.062 -2.182 1.00 0.00 C ATOM 1244 CG MET A 78 -4.784 7.607 -2.562 1.00 0.00 C ATOM 1245 SD MET A 78 -3.309 6.681 -2.134 1.00 0.00 S ATOM 1246 CE MET A 78 -3.548 5.228 -3.137 1.00 0.00 C ATOM 0 H MET A 78 -4.252 11.351 -3.055 1.00 0.00 H new ATOM 0 HA MET A 78 -6.289 9.357 -3.553 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.700 9.437 -2.487 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.727 9.150 -1.097 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.646 7.165 -2.061 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.963 7.526 -3.634 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.968 4.402 -2.725 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.605 4.961 -3.144 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.218 5.431 -4.156 1.00 0.00 H new ATOM 1256 N GLU A 79 -7.976 9.956 -1.896 1.00 0.00 N ATOM 1257 CA GLU A 79 -9.007 10.297 -0.950 1.00 0.00 C ATOM 1258 C GLU A 79 -8.940 9.376 0.259 1.00 0.00 C ATOM 1259 O GLU A 79 -8.368 8.282 0.197 1.00 0.00 O ATOM 1260 CB GLU A 79 -10.380 10.249 -1.616 1.00 0.00 C ATOM 1261 CG GLU A 79 -10.714 8.911 -2.237 1.00 0.00 C ATOM 1262 CD GLU A 79 -11.989 8.949 -3.032 1.00 0.00 C ATOM 1263 OE1 GLU A 79 -11.928 9.239 -4.242 1.00 0.00 O ATOM 1264 OE2 GLU A 79 -13.064 8.687 -2.454 1.00 0.00 O ATOM 0 H GLU A 79 -8.291 9.379 -2.676 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.844 11.317 -0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.141 10.495 -0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.426 11.018 -2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.895 8.600 -2.885 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.802 8.161 -1.451 1.00 0.00 H new ATOM 1271 N ASP A 80 -9.519 9.808 1.359 1.00 0.00 N ATOM 1272 CA ASP A 80 -9.454 9.057 2.602 1.00 0.00 C ATOM 1273 C ASP A 80 -10.365 7.851 2.568 1.00 0.00 C ATOM 1274 O ASP A 80 -11.414 7.863 1.903 1.00 0.00 O ATOM 1275 CB ASP A 80 -9.846 9.942 3.780 1.00 0.00 C ATOM 1276 CG ASP A 80 -9.427 9.358 5.101 1.00 0.00 C ATOM 1277 OD1 ASP A 80 -8.569 8.465 5.109 1.00 0.00 O ATOM 1278 OD2 ASP A 80 -9.960 9.794 6.141 1.00 0.00 O ATOM 0 H ASP A 80 -10.044 10.680 1.421 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.425 8.717 2.721 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.391 10.925 3.660 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.926 10.089 3.777 1.00 0.00 H new ATOM 1283 N GLU A 81 -9.963 6.797 3.283 1.00 0.00 N ATOM 1284 CA GLU A 81 -10.748 5.578 3.444 1.00 0.00 C ATOM 1285 C GLU A 81 -10.971 4.861 2.118 1.00 0.00 C ATOM 1286 O GLU A 81 -11.870 4.030 1.993 1.00 0.00 O ATOM 1287 CB GLU A 81 -12.087 5.895 4.114 1.00 0.00 C ATOM 1288 CG GLU A 81 -11.981 6.882 5.268 1.00 0.00 C ATOM 1289 CD GLU A 81 -13.258 6.990 6.056 1.00 0.00 C ATOM 1290 OE1 GLU A 81 -13.556 6.072 6.848 1.00 0.00 O ATOM 1291 OE2 GLU A 81 -13.978 7.989 5.880 1.00 0.00 O ATOM 0 H GLU A 81 -9.069 6.770 3.772 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.179 4.904 4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.770 6.298 3.366 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.527 4.968 4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.174 6.573 5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.715 7.864 4.878 1.00 0.00 H new ATOM 1298 N ASP A 82 -10.152 5.165 1.126 1.00 0.00 N ATOM 1299 CA ASP A 82 -10.308 4.533 -0.181 1.00 0.00 C ATOM 1300 C ASP A 82 -9.505 3.231 -0.276 1.00 0.00 C ATOM 1301 O ASP A 82 -8.852 2.816 0.688 1.00 0.00 O ATOM 1302 CB ASP A 82 -9.935 5.487 -1.309 1.00 0.00 C ATOM 1303 CG ASP A 82 -10.719 5.179 -2.572 1.00 0.00 C ATOM 1304 OD1 ASP A 82 -11.858 5.678 -2.708 1.00 0.00 O ATOM 1305 OD2 ASP A 82 -10.226 4.416 -3.411 1.00 0.00 O ATOM 0 H ASP A 82 -9.384 5.833 1.193 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.363 4.281 -0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.129 6.514 -0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.867 5.412 -1.514 1.00 0.00 H new ATOM 1310 N THR A 83 -9.540 2.588 -1.440 1.00 0.00 N ATOM 1311 CA THR A 83 -8.905 1.296 -1.620 1.00 0.00 C ATOM 1312 C THR A 83 -8.004 1.263 -2.873 1.00 0.00 C ATOM 1313 O THR A 83 -8.243 1.966 -3.851 1.00 0.00 O ATOM 1314 CB THR A 83 -9.982 0.188 -1.733 1.00 0.00 C ATOM 1315 OG1 THR A 83 -10.939 0.328 -0.672 1.00 0.00 O ATOM 1316 CG2 THR A 83 -9.358 -1.197 -1.654 1.00 0.00 C ATOM 0 H THR A 83 -10.005 2.947 -2.274 1.00 0.00 H new ATOM 0 HA THR A 83 -8.275 1.119 -0.748 1.00 0.00 H new ATOM 0 HB THR A 83 -10.473 0.298 -2.700 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.618 -0.374 -0.750 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.139 -1.953 -1.736 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.645 -1.322 -2.469 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.843 -1.310 -0.700 1.00 0.00 H new ATOM 1324 N ILE A 84 -6.976 0.427 -2.824 1.00 0.00 N ATOM 1325 CA ILE A 84 -6.042 0.242 -3.923 1.00 0.00 C ATOM 1326 C ILE A 84 -6.237 -1.149 -4.519 1.00 0.00 C ATOM 1327 O ILE A 84 -6.398 -2.125 -3.783 1.00 0.00 O ATOM 1328 CB ILE A 84 -4.554 0.390 -3.461 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -4.234 1.827 -3.031 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -3.594 -0.055 -4.551 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -4.697 2.178 -1.634 1.00 0.00 C ATOM 0 H ILE A 84 -6.766 -0.149 -2.009 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.245 1.016 -4.664 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.424 -0.259 -2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.157 1.981 -3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.696 2.516 -3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.568 0.059 -4.201 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.780 -1.101 -4.795 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.744 0.557 -5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.431 3.211 -1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.779 2.060 -1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.216 1.516 -0.914 1.00 0.00 H new ATOM 1343 N ASP A 85 -6.219 -1.247 -5.839 1.00 0.00 N ATOM 1344 CA ASP A 85 -6.406 -2.531 -6.518 1.00 0.00 C ATOM 1345 C ASP A 85 -5.070 -3.207 -6.771 1.00 0.00 C ATOM 1346 O ASP A 85 -4.165 -2.622 -7.371 1.00 0.00 O ATOM 1347 CB ASP A 85 -7.142 -2.355 -7.853 1.00 0.00 C ATOM 1348 CG ASP A 85 -8.541 -1.804 -7.703 1.00 0.00 C ATOM 1349 OD1 ASP A 85 -9.314 -2.335 -6.886 1.00 0.00 O ATOM 1350 OD2 ASP A 85 -8.879 -0.830 -8.412 1.00 0.00 O ATOM 0 H ASP A 85 -6.077 -0.456 -6.467 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.011 -3.157 -5.862 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.564 -1.687 -8.492 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.192 -3.318 -8.361 1.00 0.00 H new ATOM 1355 N VAL A 86 -4.928 -4.428 -6.302 1.00 0.00 N ATOM 1356 CA VAL A 86 -3.704 -5.181 -6.500 1.00 0.00 C ATOM 1357 C VAL A 86 -3.913 -6.367 -7.444 1.00 0.00 C ATOM 1358 O VAL A 86 -4.885 -7.123 -7.321 1.00 0.00 O ATOM 1359 CB VAL A 86 -3.129 -5.673 -5.157 1.00 0.00 C ATOM 1360 CG1 VAL A 86 -2.030 -6.688 -5.378 1.00 0.00 C ATOM 1361 CG2 VAL A 86 -2.604 -4.502 -4.361 1.00 0.00 C ATOM 0 H VAL A 86 -5.648 -4.924 -5.778 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.987 -4.502 -6.961 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.930 -6.156 -4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.641 -7.019 -4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.429 -7.544 -5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.226 -6.233 -5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.200 -4.858 -3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.818 -4.001 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.415 -3.800 -4.168 1.00 0.00 H new ATOM 1371 N PHE A 87 -2.972 -6.550 -8.363 1.00 0.00 N ATOM 1372 CA PHE A 87 -3.051 -7.611 -9.362 1.00 0.00 C ATOM 1373 C PHE A 87 -1.782 -8.455 -9.332 1.00 0.00 C ATOM 1374 O PHE A 87 -0.690 -7.937 -9.079 1.00 0.00 O ATOM 1375 CB PHE A 87 -3.236 -7.008 -10.761 1.00 0.00 C ATOM 1376 CG PHE A 87 -4.435 -6.109 -10.880 1.00 0.00 C ATOM 1377 CD1 PHE A 87 -4.356 -4.776 -10.509 1.00 0.00 C ATOM 1378 CD2 PHE A 87 -5.640 -6.597 -11.356 1.00 0.00 C ATOM 1379 CE1 PHE A 87 -5.454 -3.950 -10.608 1.00 0.00 C ATOM 1380 CE2 PHE A 87 -6.743 -5.772 -11.460 1.00 0.00 C ATOM 1381 CZ PHE A 87 -6.648 -4.447 -11.084 1.00 0.00 C ATOM 0 H PHE A 87 -2.136 -5.970 -8.437 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.907 -8.244 -9.130 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.342 -6.443 -11.024 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.326 -7.817 -11.486 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.422 -4.380 -10.138 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.718 -7.634 -11.649 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.379 -2.914 -10.313 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.678 -6.163 -11.835 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.509 -3.800 -11.163 1.00 0.00 H new ATOM 1391 N GLN A 88 -1.915 -9.758 -9.564 1.00 0.00 N ATOM 1392 CA GLN A 88 -0.759 -10.651 -9.595 1.00 0.00 C ATOM 1393 C GLN A 88 -0.330 -10.926 -11.025 1.00 0.00 C ATOM 1394 O GLN A 88 -1.053 -11.569 -11.783 1.00 0.00 O ATOM 1395 CB GLN A 88 -1.074 -11.990 -8.908 1.00 0.00 C ATOM 1396 CG GLN A 88 -0.767 -12.042 -7.419 1.00 0.00 C ATOM 1397 CD GLN A 88 -1.721 -11.224 -6.572 1.00 0.00 C ATOM 1398 OE1 GLN A 88 -2.751 -11.716 -6.135 1.00 0.00 O ATOM 1399 NE2 GLN A 88 -1.385 -9.975 -6.330 1.00 0.00 N ATOM 0 H GLN A 88 -2.809 -10.219 -9.733 1.00 0.00 H new ATOM 0 HA GLN A 88 0.048 -10.152 -9.059 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.131 -12.215 -9.053 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.509 -12.778 -9.407 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.798 -13.080 -7.087 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.249 -11.685 -7.254 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.517 -9.597 -6.711 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.992 -9.385 -5.761 1.00 0.00 H new ATOM 1408 N GLN A 89 0.828 -10.406 -11.405 1.00 0.00 N ATOM 1409 CA GLN A 89 1.395 -10.676 -12.727 1.00 0.00 C ATOM 1410 C GLN A 89 1.555 -12.153 -12.944 1.00 0.00 C ATOM 1411 O GLN A 89 1.100 -12.713 -13.946 1.00 0.00 O ATOM 1412 CB GLN A 89 2.733 -9.954 -12.929 1.00 0.00 C ATOM 1413 CG GLN A 89 2.610 -8.459 -13.214 1.00 0.00 C ATOM 1414 CD GLN A 89 2.107 -7.661 -12.033 1.00 0.00 C ATOM 1415 OE1 GLN A 89 2.888 -7.196 -11.217 1.00 0.00 O ATOM 1416 NE2 GLN A 89 0.801 -7.490 -11.941 1.00 0.00 N ATOM 0 H GLN A 89 1.397 -9.794 -10.820 1.00 0.00 H new ATOM 0 HA GLN A 89 0.696 -10.288 -13.468 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.344 -10.092 -12.037 1.00 0.00 H new ATOM 0 HB3 GLN A 89 3.265 -10.426 -13.755 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.584 -8.073 -13.515 1.00 0.00 H new ATOM 0 HG3 GLN A 89 1.934 -8.312 -14.057 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.183 -7.895 -12.644 1.00 0.00 H new ATOM 0 HE22 GLN A 89 0.410 -6.953 -11.167 1.00 0.00 H new ATOM 1425 N GLN A 90 2.221 -12.775 -12.032 1.00 0.00 N ATOM 1426 CA GLN A 90 2.390 -14.215 -12.041 1.00 0.00 C ATOM 1427 C GLN A 90 1.066 -14.900 -11.724 1.00 0.00 C ATOM 1428 O GLN A 90 0.428 -14.609 -10.713 1.00 0.00 O ATOM 1429 CB GLN A 90 3.462 -14.630 -11.019 1.00 0.00 C ATOM 1430 CG GLN A 90 4.913 -14.432 -11.480 1.00 0.00 C ATOM 1431 CD GLN A 90 5.175 -13.079 -12.114 1.00 0.00 C ATOM 1432 OE1 GLN A 90 5.489 -12.109 -11.430 1.00 0.00 O ATOM 1433 NE2 GLN A 90 5.064 -13.015 -13.428 1.00 0.00 N ATOM 0 H GLN A 90 2.673 -12.308 -11.246 1.00 0.00 H new ATOM 0 HA GLN A 90 2.716 -14.525 -13.034 1.00 0.00 H new ATOM 0 HB2 GLN A 90 3.308 -14.061 -10.102 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.317 -15.681 -10.770 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.576 -14.556 -10.624 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.167 -15.214 -12.196 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.801 -13.845 -13.959 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.242 -12.135 -13.913 1.00 0.00 H new ATOM 1442 N THR A 91 0.650 -15.797 -12.594 1.00 0.00 N ATOM 1443 CA THR A 91 -0.596 -16.513 -12.426 1.00 0.00 C ATOM 1444 C THR A 91 -0.527 -17.490 -11.249 1.00 0.00 C ATOM 1445 O THR A 91 0.311 -18.401 -11.218 1.00 0.00 O ATOM 1446 CB THR A 91 -0.960 -17.267 -13.713 1.00 0.00 C ATOM 1447 OG1 THR A 91 0.223 -17.875 -14.259 1.00 0.00 O ATOM 1448 CG2 THR A 91 -1.570 -16.322 -14.741 1.00 0.00 C ATOM 0 H THR A 91 1.166 -16.050 -13.437 1.00 0.00 H new ATOM 0 HA THR A 91 -1.372 -15.778 -12.211 1.00 0.00 H new ATOM 0 HB THR A 91 -1.695 -18.035 -13.472 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.733 -18.303 -13.540 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.820 -16.879 -15.644 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.474 -15.872 -14.330 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.853 -15.538 -14.985 1.00 0.00 H new ATOM 1456 N GLY A 92 -1.407 -17.301 -10.281 1.00 0.00 N ATOM 1457 CA GLY A 92 -1.421 -18.148 -9.110 1.00 0.00 C ATOM 1458 C GLY A 92 -2.458 -19.242 -9.206 1.00 0.00 C ATOM 1459 O GLY A 92 -3.565 -19.117 -8.677 1.00 0.00 O ATOM 0 H GLY A 92 -2.118 -16.569 -10.286 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.436 -18.595 -8.976 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.618 -17.540 -8.227 1.00 0.00 H new ATOM 1463 N GLY A 93 -2.115 -20.315 -9.892 1.00 0.00 N ATOM 1464 CA GLY A 93 -3.023 -21.424 -10.036 1.00 0.00 C ATOM 1465 C GLY A 93 -2.581 -22.608 -9.220 1.00 0.00 C ATOM 1466 O GLY A 93 -1.804 -23.432 -9.738 1.00 0.00 O ATOM 1467 OXT GLY A 93 -2.980 -22.710 -8.047 1.00 0.00 O ATOM 0 H GLY A 93 -1.215 -20.437 -10.356 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.023 -21.120 -9.726 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.088 -21.708 -11.086 1.00 0.00 H new TER 1471 GLY A 93