USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 820 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 60 MET CE :methyl -144:sc= 0 (180deg=-0.00801) USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0772 (180deg=-0.497) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.606 (180deg=-0.104!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HE2:sc= -0.914 K(o=-0.91,f=-2.3!) USER MOD Single : A 5 HIS : no HE2:sc= -0.35 K(o=-0.35,f=-1.2) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc=-0.00941 X(o=-0.0094,f=-0.33) USER MOD Single : A 9 SER OG : rot 42:sc= 0.797 USER MOD Single : A 10 HIS : no HD1:sc= -0.377 X(o=-0.38,f=0.095) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.42) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -125:sc= 0 (180deg=-0.658) USER MOD Single : A 30 TYR OH : rot -35:sc= 0.0883 USER MOD Single : A 33 SER OG : rot -40:sc= 0.733 USER MOD Single : A 35 HIS : no HE2:sc= -1.72 K(o=-1.7,f=-5.5) USER MOD Single : A 37 ASN : amide:sc= -0.102 K(o=-0.1,f=-3!) USER MOD Single : A 39 THR OG1 : rot 118:sc= 0.367 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0409 K(o=-0.041,f=-0.66) USER MOD Single : A 59 MET CE :methyl 153:sc= -0.193 (180deg=-0.875) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -170:sc= -0.827 USER MOD Single : A 68 LYS NZ :NH3+ -141:sc= 0.03 (180deg=-0.847!) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.333 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -105:sc= -1.34! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -92:sc= -1.12 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 153:sc= -1.46 (180deg=-2.86!) USER MOD Single : A 87 GLN : amide:sc= -1.03 K(o=-1,f=-5.8!) USER MOD Single : A 89 ASN : amide:sc= 0.824 K(o=0.82,f=-0.056) USER MOD Single : A 98 MET CE :methyl -167:sc= -1.24 (180deg=-1.56) USER MOD Single : A 99 LYS NZ :NH3+ 171:sc= -0.0107 (180deg=-0.11) USER MOD Single : A 102 HIS : no HE2:sc= -1.41 K(o=-1.4,f=-3.2!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot -40:sc= 0.295! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.711 -18.651 -4.791 1.00 0.00 N ATOM 2 CA MET A 1 -8.096 -18.621 -5.342 1.00 0.00 C ATOM 3 C MET A 1 -9.069 -17.951 -4.362 1.00 0.00 C ATOM 4 O MET A 1 -8.852 -17.963 -3.150 1.00 0.00 O ATOM 5 CB MET A 1 -8.585 -20.045 -5.652 1.00 0.00 C ATOM 6 CG MET A 1 -7.696 -20.804 -6.628 1.00 0.00 C ATOM 7 SD MET A 1 -6.048 -21.118 -5.963 1.00 0.00 S ATOM 8 CE MET A 1 -6.424 -22.265 -4.637 1.00 0.00 C ATOM 0 H1 MET A 1 -6.220 -19.502 -5.132 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.195 -17.804 -5.104 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.751 -18.668 -3.752 1.00 0.00 H new ATOM 0 HA MET A 1 -8.070 -18.039 -6.263 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.648 -20.608 -4.721 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.594 -19.991 -6.061 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.168 -21.753 -6.882 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.608 -20.234 -7.553 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.520 -22.805 -4.355 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.801 -21.714 -3.775 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.180 -22.974 -4.973 1.00 0.00 H new ATOM 20 N GLY A 2 -10.135 -17.355 -4.894 1.00 0.00 N ATOM 21 CA GLY A 2 -11.180 -16.796 -4.045 1.00 0.00 C ATOM 22 C GLY A 2 -11.996 -17.879 -3.342 1.00 0.00 C ATOM 23 O GLY A 2 -12.181 -18.973 -3.881 1.00 0.00 O ATOM 0 H GLY A 2 -10.295 -17.249 -5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -10.728 -16.143 -3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -11.844 -16.178 -4.649 1.00 0.00 H new ATOM 27 N HIS A 3 -12.485 -17.585 -2.139 1.00 0.00 N ATOM 28 CA HIS A 3 -13.259 -18.563 -1.366 1.00 0.00 C ATOM 29 C HIS A 3 -14.636 -18.815 -2.000 1.00 0.00 C ATOM 30 O HIS A 3 -15.646 -18.235 -1.596 1.00 0.00 O ATOM 31 CB HIS A 3 -13.400 -18.110 0.092 1.00 0.00 C ATOM 32 CG HIS A 3 -12.098 -18.089 0.832 1.00 0.00 C ATOM 33 ND1 HIS A 3 -11.640 -19.156 1.573 1.00 0.00 N ATOM 34 CD2 HIS A 3 -11.144 -17.131 0.931 1.00 0.00 C ATOM 35 CE1 HIS A 3 -10.468 -18.859 2.095 1.00 0.00 C ATOM 36 NE2 HIS A 3 -10.142 -17.638 1.721 1.00 0.00 N ATOM 0 H HIS A 3 -12.362 -16.684 -1.678 1.00 0.00 H new ATOM 0 HA HIS A 3 -12.714 -19.507 -1.380 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -13.840 -17.113 0.115 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -14.093 -18.776 0.607 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -11.168 -16.153 0.474 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.874 -19.506 2.723 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -9.284 -17.149 1.977 1.00 0.00 H new ATOM 45 N HIS A 4 -14.652 -19.670 -3.018 1.00 0.00 N ATOM 46 CA HIS A 4 -15.882 -20.022 -3.730 1.00 0.00 C ATOM 47 C HIS A 4 -16.859 -20.802 -2.835 1.00 0.00 C ATOM 48 O HIS A 4 -16.616 -21.958 -2.482 1.00 0.00 O ATOM 49 CB HIS A 4 -15.544 -20.831 -4.995 1.00 0.00 C ATOM 50 CG HIS A 4 -14.620 -21.991 -4.752 1.00 0.00 C ATOM 51 ND1 HIS A 4 -15.041 -23.196 -4.236 1.00 0.00 N ATOM 52 CD2 HIS A 4 -13.284 -22.122 -4.955 1.00 0.00 C ATOM 53 CE1 HIS A 4 -14.014 -24.015 -4.129 1.00 0.00 C ATOM 54 NE2 HIS A 4 -12.939 -23.388 -4.558 1.00 0.00 N ATOM 0 H HIS A 4 -13.818 -20.138 -3.374 1.00 0.00 H new ATOM 0 HA HIS A 4 -16.378 -19.095 -4.018 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -16.470 -21.203 -5.433 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -15.089 -20.165 -5.728 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -16.001 -23.421 -3.976 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.619 -21.371 -5.354 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -14.048 -25.027 -3.754 1.00 0.00 H new ATOM 63 N HIS A 5 -17.952 -20.152 -2.455 1.00 0.00 N ATOM 64 CA HIS A 5 -19.001 -20.795 -1.659 1.00 0.00 C ATOM 65 C HIS A 5 -20.156 -21.263 -2.556 1.00 0.00 C ATOM 66 O HIS A 5 -20.704 -22.349 -2.374 1.00 0.00 O ATOM 67 CB HIS A 5 -19.527 -19.820 -0.599 1.00 0.00 C ATOM 68 CG HIS A 5 -18.503 -19.421 0.421 1.00 0.00 C ATOM 69 ND1 HIS A 5 -17.672 -18.330 0.277 1.00 0.00 N ATOM 70 CD2 HIS A 5 -18.192 -19.967 1.620 1.00 0.00 C ATOM 71 CE1 HIS A 5 -16.901 -18.222 1.339 1.00 0.00 C ATOM 72 NE2 HIS A 5 -17.197 -19.199 2.168 1.00 0.00 N ATOM 0 H HIS A 5 -18.139 -19.176 -2.684 1.00 0.00 H new ATOM 0 HA HIS A 5 -18.571 -21.667 -1.165 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -19.899 -18.924 -1.096 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -20.375 -20.276 -0.089 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -17.657 -17.703 -0.528 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -18.643 -20.843 2.062 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -16.153 -17.460 1.502 1.00 0.00 H new ATOM 81 N HIS A 6 -20.510 -20.429 -3.532 1.00 0.00 N ATOM 82 CA HIS A 6 -21.631 -20.708 -4.436 1.00 0.00 C ATOM 83 C HIS A 6 -21.142 -21.206 -5.806 1.00 0.00 C ATOM 84 O HIS A 6 -19.992 -20.982 -6.186 1.00 0.00 O ATOM 85 CB HIS A 6 -22.472 -19.441 -4.622 1.00 0.00 C ATOM 86 CG HIS A 6 -22.915 -18.816 -3.335 1.00 0.00 C ATOM 87 ND1 HIS A 6 -23.966 -19.290 -2.581 1.00 0.00 N ATOM 88 CD2 HIS A 6 -22.433 -17.742 -2.663 1.00 0.00 C ATOM 89 CE1 HIS A 6 -24.112 -18.539 -1.509 1.00 0.00 C ATOM 90 NE2 HIS A 6 -23.197 -17.596 -1.536 1.00 0.00 N ATOM 0 H HIS A 6 -20.034 -19.547 -3.720 1.00 0.00 H new ATOM 0 HA HIS A 6 -22.236 -21.495 -3.986 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -21.893 -18.712 -5.189 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -23.351 -19.684 -5.219 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -21.603 -17.119 -2.960 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -24.857 -18.675 -0.739 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -23.075 -16.870 -0.830 1.00 0.00 H new ATOM 99 N HIS A 7 -22.025 -21.877 -6.545 1.00 0.00 N ATOM 100 CA HIS A 7 -21.695 -22.374 -7.889 1.00 0.00 C ATOM 101 C HIS A 7 -22.119 -21.378 -8.986 1.00 0.00 C ATOM 102 O HIS A 7 -22.952 -20.497 -8.756 1.00 0.00 O ATOM 103 CB HIS A 7 -22.345 -23.743 -8.121 1.00 0.00 C ATOM 104 CG HIS A 7 -21.807 -24.813 -7.218 1.00 0.00 C ATOM 105 ND1 HIS A 7 -22.543 -25.403 -6.214 1.00 0.00 N ATOM 106 CD2 HIS A 7 -20.589 -25.403 -7.177 1.00 0.00 C ATOM 107 CE1 HIS A 7 -21.806 -26.302 -5.597 1.00 0.00 C ATOM 108 NE2 HIS A 7 -20.616 -26.323 -6.161 1.00 0.00 N ATOM 0 H HIS A 7 -22.975 -22.091 -6.240 1.00 0.00 H new ATOM 0 HA HIS A 7 -20.612 -22.481 -7.949 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -23.421 -23.657 -7.971 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -22.191 -24.040 -9.158 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -19.752 -25.189 -7.825 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -22.123 -26.918 -4.769 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -19.840 -26.926 -5.886 1.00 0.00 H new ATOM 117 N HIS A 8 -21.555 -21.537 -10.186 1.00 0.00 N ATOM 118 CA HIS A 8 -21.748 -20.564 -11.277 1.00 0.00 C ATOM 119 C HIS A 8 -23.124 -20.688 -11.961 1.00 0.00 C ATOM 120 O HIS A 8 -23.548 -19.777 -12.671 1.00 0.00 O ATOM 121 CB HIS A 8 -20.631 -20.700 -12.325 1.00 0.00 C ATOM 122 CG HIS A 8 -20.637 -22.005 -13.064 1.00 0.00 C ATOM 123 ND1 HIS A 8 -21.397 -22.224 -14.192 1.00 0.00 N ATOM 124 CD2 HIS A 8 -19.964 -23.161 -12.841 1.00 0.00 C ATOM 125 CE1 HIS A 8 -21.197 -23.448 -14.627 1.00 0.00 C ATOM 126 NE2 HIS A 8 -20.334 -24.040 -13.827 1.00 0.00 N ATOM 0 H HIS A 8 -20.960 -22.328 -10.432 1.00 0.00 H new ATOM 0 HA HIS A 8 -21.706 -19.576 -10.818 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -20.723 -19.887 -13.045 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -19.667 -20.580 -11.830 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -19.268 -23.353 -12.038 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -21.662 -23.893 -15.494 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -19.996 -24.997 -13.925 1.00 0.00 H new ATOM 135 N SER A 9 -23.813 -21.810 -11.753 1.00 0.00 N ATOM 136 CA SER A 9 -25.128 -22.044 -12.378 1.00 0.00 C ATOM 137 C SER A 9 -26.140 -20.944 -12.019 1.00 0.00 C ATOM 138 O SER A 9 -26.638 -20.883 -10.891 1.00 0.00 O ATOM 139 CB SER A 9 -25.691 -23.411 -11.963 1.00 0.00 C ATOM 140 OG SER A 9 -25.931 -23.473 -10.564 1.00 0.00 O ATOM 0 H SER A 9 -23.489 -22.573 -11.159 1.00 0.00 H new ATOM 0 HA SER A 9 -24.973 -22.025 -13.457 1.00 0.00 H new ATOM 0 HB2 SER A 9 -26.619 -23.602 -12.501 1.00 0.00 H new ATOM 0 HB3 SER A 9 -24.990 -24.196 -12.248 1.00 0.00 H new ATOM 0 HG SER A 9 -26.336 -22.632 -10.264 1.00 0.00 H new ATOM 146 N HIS A 10 -26.430 -20.064 -12.979 1.00 0.00 N ATOM 147 CA HIS A 10 -27.420 -18.996 -12.783 1.00 0.00 C ATOM 148 C HIS A 10 -28.314 -18.805 -14.026 1.00 0.00 C ATOM 149 O HIS A 10 -29.337 -19.476 -14.171 1.00 0.00 O ATOM 150 CB HIS A 10 -26.729 -17.670 -12.410 1.00 0.00 C ATOM 151 CG HIS A 10 -26.170 -17.638 -11.015 1.00 0.00 C ATOM 152 ND1 HIS A 10 -26.893 -17.204 -9.926 1.00 0.00 N ATOM 153 CD2 HIS A 10 -24.950 -17.978 -10.533 1.00 0.00 C ATOM 154 CE1 HIS A 10 -26.151 -17.278 -8.844 1.00 0.00 C ATOM 155 NE2 HIS A 10 -24.967 -17.743 -9.181 1.00 0.00 N ATOM 0 H HIS A 10 -25.995 -20.067 -13.901 1.00 0.00 H new ATOM 0 HA HIS A 10 -28.063 -19.301 -11.957 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -25.921 -17.483 -13.117 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -27.445 -16.856 -12.521 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -24.119 -18.362 -11.106 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -26.461 -17.003 -7.846 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -24.189 -17.903 -8.541 1.00 0.00 H new ATOM 164 N MET A 11 -27.923 -17.897 -14.924 1.00 0.00 N ATOM 165 CA MET A 11 -28.723 -17.583 -16.121 1.00 0.00 C ATOM 166 C MET A 11 -27.856 -17.569 -17.388 1.00 0.00 C ATOM 167 O MET A 11 -26.660 -17.877 -17.348 1.00 0.00 O ATOM 168 CB MET A 11 -29.413 -16.213 -15.976 1.00 0.00 C ATOM 169 CG MET A 11 -30.364 -16.087 -14.789 1.00 0.00 C ATOM 170 SD MET A 11 -29.509 -15.997 -13.202 1.00 0.00 S ATOM 171 CE MET A 11 -30.892 -15.711 -12.097 1.00 0.00 C ATOM 0 H MET A 11 -27.057 -17.363 -14.849 1.00 0.00 H new ATOM 0 HA MET A 11 -29.476 -18.365 -16.214 1.00 0.00 H new ATOM 0 HB2 MET A 11 -28.645 -15.445 -15.889 1.00 0.00 H new ATOM 0 HB3 MET A 11 -29.969 -16.006 -16.890 1.00 0.00 H new ATOM 0 HG2 MET A 11 -30.977 -15.195 -14.916 1.00 0.00 H new ATOM 0 HG3 MET A 11 -31.042 -16.941 -14.782 1.00 0.00 H new ATOM 0 HE1 MET A 11 -30.529 -15.632 -11.072 1.00 0.00 H new ATOM 0 HE2 MET A 11 -31.395 -14.785 -12.376 1.00 0.00 H new ATOM 0 HE3 MET A 11 -31.594 -16.542 -12.170 1.00 0.00 H new ATOM 181 N ALA A 12 -28.465 -17.197 -18.511 1.00 0.00 N ATOM 182 CA ALA A 12 -27.741 -17.064 -19.777 1.00 0.00 C ATOM 183 C ALA A 12 -26.749 -15.892 -19.724 1.00 0.00 C ATOM 184 O ALA A 12 -27.149 -14.747 -19.527 1.00 0.00 O ATOM 185 CB ALA A 12 -28.725 -16.874 -20.927 1.00 0.00 C ATOM 0 H ALA A 12 -29.460 -16.981 -18.572 1.00 0.00 H new ATOM 0 HA ALA A 12 -27.173 -17.980 -19.944 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -28.176 -16.776 -21.863 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -29.389 -17.737 -20.984 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -29.315 -15.973 -20.756 1.00 0.00 H new ATOM 191 N ALA A 13 -25.457 -16.190 -19.887 1.00 0.00 N ATOM 192 CA ALA A 13 -24.397 -15.167 -19.845 1.00 0.00 C ATOM 193 C ALA A 13 -24.362 -14.418 -18.496 1.00 0.00 C ATOM 194 O ALA A 13 -23.943 -13.262 -18.422 1.00 0.00 O ATOM 195 CB ALA A 13 -24.566 -14.186 -21.005 1.00 0.00 C ATOM 0 H ALA A 13 -25.114 -17.137 -20.051 1.00 0.00 H new ATOM 0 HA ALA A 13 -23.441 -15.680 -19.948 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -23.777 -13.435 -20.964 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -24.504 -14.726 -21.950 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.537 -13.697 -20.929 1.00 0.00 H new ATOM 201 N ALA A 14 -24.771 -15.094 -17.422 1.00 0.00 N ATOM 202 CA ALA A 14 -24.782 -14.490 -16.079 1.00 0.00 C ATOM 203 C ALA A 14 -23.415 -14.617 -15.375 1.00 0.00 C ATOM 204 O ALA A 14 -23.332 -14.596 -14.148 1.00 0.00 O ATOM 205 CB ALA A 14 -25.877 -15.127 -15.233 1.00 0.00 C ATOM 0 H ALA A 14 -25.100 -16.059 -17.450 1.00 0.00 H new ATOM 0 HA ALA A 14 -24.986 -13.426 -16.195 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -25.879 -14.675 -14.241 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -26.845 -14.965 -15.708 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -25.692 -16.197 -15.144 1.00 0.00 H new ATOM 211 N MET A 15 -22.347 -14.713 -16.163 1.00 0.00 N ATOM 212 CA MET A 15 -20.988 -14.859 -15.623 1.00 0.00 C ATOM 213 C MET A 15 -20.388 -13.488 -15.242 1.00 0.00 C ATOM 214 O MET A 15 -19.267 -13.398 -14.737 1.00 0.00 O ATOM 215 CB MET A 15 -20.101 -15.574 -16.657 1.00 0.00 C ATOM 216 CG MET A 15 -18.723 -15.972 -16.140 1.00 0.00 C ATOM 217 SD MET A 15 -17.750 -16.851 -17.379 1.00 0.00 S ATOM 218 CE MET A 15 -16.252 -17.195 -16.455 1.00 0.00 C ATOM 0 H MET A 15 -22.392 -14.693 -17.182 1.00 0.00 H new ATOM 0 HA MET A 15 -21.034 -15.458 -14.714 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.618 -16.469 -17.003 1.00 0.00 H new ATOM 0 HB3 MET A 15 -19.976 -14.923 -17.522 1.00 0.00 H new ATOM 0 HG2 MET A 15 -18.184 -15.078 -15.826 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.837 -16.602 -15.258 1.00 0.00 H new ATOM 0 HE1 MET A 15 -15.550 -17.737 -17.089 1.00 0.00 H new ATOM 0 HE2 MET A 15 -15.800 -16.257 -16.132 1.00 0.00 H new ATOM 0 HE3 MET A 15 -16.494 -17.801 -15.582 1.00 0.00 H new ATOM 228 N ALA A 16 -21.150 -12.423 -15.485 1.00 0.00 N ATOM 229 CA ALA A 16 -20.719 -11.062 -15.153 1.00 0.00 C ATOM 230 C ALA A 16 -21.167 -10.662 -13.736 1.00 0.00 C ATOM 231 O ALA A 16 -22.352 -10.753 -13.400 1.00 0.00 O ATOM 232 CB ALA A 16 -21.263 -10.074 -16.183 1.00 0.00 C ATOM 0 H ALA A 16 -22.074 -12.475 -15.913 1.00 0.00 H new ATOM 0 HA ALA A 16 -19.630 -11.037 -15.176 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.937 -9.066 -15.927 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.888 -10.337 -17.172 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -22.352 -10.114 -16.185 1.00 0.00 H new ATOM 238 N ASN A 17 -20.216 -10.229 -12.905 1.00 0.00 N ATOM 239 CA ASN A 17 -20.526 -9.756 -11.551 1.00 0.00 C ATOM 240 C ASN A 17 -21.353 -8.461 -11.584 1.00 0.00 C ATOM 241 O ASN A 17 -20.854 -7.401 -11.968 1.00 0.00 O ATOM 242 CB ASN A 17 -19.236 -9.536 -10.747 1.00 0.00 C ATOM 243 CG ASN A 17 -18.603 -10.839 -10.289 1.00 0.00 C ATOM 244 OD1 ASN A 17 -18.904 -11.341 -9.209 1.00 0.00 O ATOM 245 ND2 ASN A 17 -17.725 -11.399 -11.095 1.00 0.00 N ATOM 0 H ASN A 17 -19.225 -10.196 -13.144 1.00 0.00 H new ATOM 0 HA ASN A 17 -21.122 -10.527 -11.062 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -18.521 -8.984 -11.358 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -19.456 -8.918 -9.877 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -17.274 -12.274 -10.829 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -17.496 -10.958 -11.986 1.00 0.00 H new ATOM 252 N ASN A 18 -22.621 -8.563 -11.177 1.00 0.00 N ATOM 253 CA ASN A 18 -23.541 -7.418 -11.148 1.00 0.00 C ATOM 254 C ASN A 18 -23.819 -6.871 -12.560 1.00 0.00 C ATOM 255 O ASN A 18 -24.777 -7.293 -13.211 1.00 0.00 O ATOM 256 CB ASN A 18 -23.002 -6.306 -10.229 1.00 0.00 C ATOM 257 CG ASN A 18 -22.851 -6.773 -8.792 1.00 0.00 C ATOM 258 OD1 ASN A 18 -21.812 -7.292 -8.397 1.00 0.00 O ATOM 259 ND2 ASN A 18 -23.884 -6.593 -7.995 1.00 0.00 N ATOM 0 H ASN A 18 -23.040 -9.437 -10.859 1.00 0.00 H new ATOM 0 HA ASN A 18 -24.489 -7.773 -10.743 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -22.036 -5.965 -10.602 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -23.677 -5.451 -10.262 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -23.833 -6.888 -7.020 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -24.735 -6.158 -8.353 1.00 0.00 H new ATOM 266 N LEU A 19 -22.953 -5.968 -13.024 1.00 0.00 N ATOM 267 CA LEU A 19 -23.107 -5.283 -14.322 1.00 0.00 C ATOM 268 C LEU A 19 -22.119 -4.112 -14.388 1.00 0.00 C ATOM 269 O LEU A 19 -21.305 -4.022 -15.302 1.00 0.00 O ATOM 270 CB LEU A 19 -24.558 -4.772 -14.513 1.00 0.00 C ATOM 271 CG LEU A 19 -24.937 -4.265 -15.924 1.00 0.00 C ATOM 272 CD1 LEU A 19 -26.454 -4.225 -16.081 1.00 0.00 C ATOM 273 CD2 LEU A 19 -24.350 -2.882 -16.208 1.00 0.00 C ATOM 0 H LEU A 19 -22.118 -5.685 -12.511 1.00 0.00 H new ATOM 0 HA LEU A 19 -22.896 -5.990 -15.124 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -25.241 -5.579 -14.247 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -24.730 -3.963 -13.803 1.00 0.00 H new ATOM 0 HG LEU A 19 -24.514 -4.963 -16.646 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -26.707 -3.866 -17.079 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -26.861 -5.227 -15.941 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -26.879 -3.553 -15.335 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -24.640 -2.562 -17.209 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -24.728 -2.169 -15.476 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -23.263 -2.928 -16.142 1.00 0.00 H new ATOM 285 N GLN A 20 -22.231 -3.225 -13.393 1.00 0.00 N ATOM 286 CA GLN A 20 -21.359 -2.045 -13.226 1.00 0.00 C ATOM 287 C GLN A 20 -21.094 -1.268 -14.531 1.00 0.00 C ATOM 288 O GLN A 20 -20.295 -1.678 -15.374 1.00 0.00 O ATOM 289 CB GLN A 20 -20.031 -2.442 -12.571 1.00 0.00 C ATOM 290 CG GLN A 20 -20.199 -3.107 -11.209 1.00 0.00 C ATOM 291 CD GLN A 20 -18.922 -3.085 -10.387 1.00 0.00 C ATOM 292 OE1 GLN A 20 -18.098 -3.988 -10.460 1.00 0.00 O ATOM 293 NE2 GLN A 20 -18.756 -2.049 -9.590 1.00 0.00 N ATOM 0 H GLN A 20 -22.941 -3.304 -12.665 1.00 0.00 H new ATOM 0 HA GLN A 20 -21.908 -1.366 -12.574 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -19.497 -3.122 -13.235 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -19.411 -1.553 -12.458 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -20.991 -2.601 -10.657 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -20.518 -4.140 -11.350 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -19.463 -1.315 -9.554 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -17.921 -1.981 -9.009 1.00 0.00 H new ATOM 302 N LYS A 21 -21.750 -0.122 -14.670 1.00 0.00 N ATOM 303 CA LYS A 21 -21.564 0.749 -15.833 1.00 0.00 C ATOM 304 C LYS A 21 -20.188 1.442 -15.786 1.00 0.00 C ATOM 305 O LYS A 21 -20.039 2.518 -15.200 1.00 0.00 O ATOM 306 CB LYS A 21 -22.696 1.787 -15.876 1.00 0.00 C ATOM 307 CG LYS A 21 -24.089 1.161 -15.956 1.00 0.00 C ATOM 308 CD LYS A 21 -25.199 2.155 -15.612 1.00 0.00 C ATOM 309 CE LYS A 21 -25.234 3.351 -16.560 1.00 0.00 C ATOM 310 NZ LYS A 21 -26.346 4.282 -16.230 1.00 0.00 N ATOM 0 H LYS A 21 -22.421 0.231 -13.988 1.00 0.00 H new ATOM 0 HA LYS A 21 -21.597 0.145 -16.740 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -22.638 2.415 -14.987 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -22.549 2.439 -16.737 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -24.252 0.773 -16.961 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -24.142 0.312 -15.274 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -26.161 1.644 -15.643 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.059 2.510 -14.591 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -24.285 3.885 -16.508 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -25.346 2.999 -17.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -26.338 5.082 -16.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -27.253 3.779 -16.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -26.225 4.637 -15.260 1.00 0.00 H new ATOM 324 N GLY A 22 -19.182 0.804 -16.384 1.00 0.00 N ATOM 325 CA GLY A 22 -17.817 1.327 -16.343 1.00 0.00 C ATOM 326 C GLY A 22 -17.102 0.999 -15.032 1.00 0.00 C ATOM 327 O GLY A 22 -17.587 0.188 -14.241 1.00 0.00 O ATOM 0 H GLY A 22 -19.285 -0.070 -16.899 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.248 0.914 -17.176 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.842 2.408 -16.479 1.00 0.00 H new ATOM 331 N SER A 23 -15.949 1.628 -14.796 1.00 0.00 N ATOM 332 CA SER A 23 -15.195 1.412 -13.549 1.00 0.00 C ATOM 333 C SER A 23 -15.982 1.918 -12.334 1.00 0.00 C ATOM 334 O SER A 23 -16.447 3.061 -12.313 1.00 0.00 O ATOM 335 CB SER A 23 -13.830 2.112 -13.608 1.00 0.00 C ATOM 336 OG SER A 23 -13.123 1.975 -12.382 1.00 0.00 O ATOM 0 H SER A 23 -15.516 2.287 -15.443 1.00 0.00 H new ATOM 0 HA SER A 23 -15.039 0.339 -13.442 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.238 1.690 -14.420 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.971 3.169 -13.832 1.00 0.00 H new ATOM 0 HG SER A 23 -12.257 2.429 -12.451 1.00 0.00 H new ATOM 342 N ALA A 24 -16.137 1.063 -11.325 1.00 0.00 N ATOM 343 CA ALA A 24 -16.911 1.414 -10.129 1.00 0.00 C ATOM 344 C ALA A 24 -16.415 0.666 -8.881 1.00 0.00 C ATOM 345 O ALA A 24 -16.186 -0.547 -8.913 1.00 0.00 O ATOM 346 CB ALA A 24 -18.392 1.131 -10.363 1.00 0.00 C ATOM 0 H ALA A 24 -15.739 0.124 -11.309 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.770 2.479 -9.946 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.958 1.395 -9.470 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -18.747 1.724 -11.206 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -18.530 0.072 -10.581 1.00 0.00 H new ATOM 352 N GLY A 25 -16.265 1.400 -7.780 1.00 0.00 N ATOM 353 CA GLY A 25 -15.817 0.808 -6.522 1.00 0.00 C ATOM 354 C GLY A 25 -14.327 1.026 -6.239 1.00 0.00 C ATOM 355 O GLY A 25 -13.559 0.065 -6.205 1.00 0.00 O ATOM 0 H GLY A 25 -16.447 2.403 -7.734 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.400 1.230 -5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.022 -0.262 -6.540 1.00 0.00 H new ATOM 359 N PRO A 26 -13.886 2.284 -6.028 1.00 0.00 N ATOM 360 CA PRO A 26 -12.491 2.584 -5.676 1.00 0.00 C ATOM 361 C PRO A 26 -12.210 2.372 -4.175 1.00 0.00 C ATOM 362 O PRO A 26 -12.807 3.029 -3.318 1.00 0.00 O ATOM 363 CB PRO A 26 -12.356 4.061 -6.062 1.00 0.00 C ATOM 364 CG PRO A 26 -13.723 4.633 -5.857 1.00 0.00 C ATOM 365 CD PRO A 26 -14.704 3.513 -6.122 1.00 0.00 C ATOM 0 HA PRO A 26 -11.779 1.932 -6.182 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.618 4.567 -5.440 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.031 4.172 -7.097 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.835 5.014 -4.842 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.898 5.470 -6.533 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.512 3.510 -5.391 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.164 3.611 -7.105 1.00 0.00 H new ATOM 373 N MET A 27 -11.302 1.451 -3.860 1.00 0.00 N ATOM 374 CA MET A 27 -11.003 1.106 -2.462 1.00 0.00 C ATOM 375 C MET A 27 -9.658 1.707 -2.015 1.00 0.00 C ATOM 376 O MET A 27 -8.685 1.709 -2.772 1.00 0.00 O ATOM 377 CB MET A 27 -10.994 -0.423 -2.299 1.00 0.00 C ATOM 378 CG MET A 27 -11.032 -0.906 -0.856 1.00 0.00 C ATOM 379 SD MET A 27 -11.083 -2.707 -0.744 1.00 0.00 S ATOM 380 CE MET A 27 -11.368 -2.936 1.007 1.00 0.00 C ATOM 0 H MET A 27 -10.759 0.929 -4.548 1.00 0.00 H new ATOM 0 HA MET A 27 -11.780 1.530 -1.826 1.00 0.00 H new ATOM 0 HB2 MET A 27 -11.851 -0.837 -2.830 1.00 0.00 H new ATOM 0 HB3 MET A 27 -10.100 -0.821 -2.778 1.00 0.00 H new ATOM 0 HG2 MET A 27 -10.154 -0.535 -0.327 1.00 0.00 H new ATOM 0 HG3 MET A 27 -11.906 -0.487 -0.357 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.594 -3.582 1.420 1.00 0.00 H new ATOM 0 HE2 MET A 27 -11.340 -1.969 1.510 1.00 0.00 H new ATOM 0 HE3 MET A 27 -12.344 -3.396 1.160 1.00 0.00 H new ATOM 390 N ARG A 28 -9.613 2.227 -0.786 1.00 0.00 N ATOM 391 CA ARG A 28 -8.395 2.854 -0.249 1.00 0.00 C ATOM 392 C ARG A 28 -7.739 1.978 0.833 1.00 0.00 C ATOM 393 O ARG A 28 -8.388 1.576 1.801 1.00 0.00 O ATOM 394 CB ARG A 28 -8.732 4.240 0.332 1.00 0.00 C ATOM 395 CG ARG A 28 -7.512 5.045 0.786 1.00 0.00 C ATOM 396 CD ARG A 28 -7.913 6.350 1.476 1.00 0.00 C ATOM 397 NE ARG A 28 -8.762 7.189 0.630 1.00 0.00 N ATOM 398 CZ ARG A 28 -9.492 8.183 1.071 1.00 0.00 C ATOM 399 NH1 ARG A 28 -9.456 8.537 2.315 1.00 0.00 N ATOM 400 NH2 ARG A 28 -10.245 8.840 0.255 1.00 0.00 N ATOM 0 H ARG A 28 -10.404 2.228 -0.142 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.684 2.963 -1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.273 4.815 -0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.405 4.112 1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.913 4.442 1.469 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.884 5.269 -0.076 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.440 6.121 2.402 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.015 6.905 1.749 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.787 6.986 -0.369 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.852 8.040 2.970 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.031 9.314 2.641 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.271 8.585 -0.732 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.814 9.614 0.597 1.00 0.00 H new ATOM 414 N LEU A 29 -6.449 1.691 0.668 1.00 0.00 N ATOM 415 CA LEU A 29 -5.693 0.894 1.644 1.00 0.00 C ATOM 416 C LEU A 29 -4.746 1.766 2.480 1.00 0.00 C ATOM 417 O LEU A 29 -4.122 2.698 1.972 1.00 0.00 O ATOM 418 CB LEU A 29 -4.873 -0.198 0.937 1.00 0.00 C ATOM 419 CG LEU A 29 -5.686 -1.287 0.218 1.00 0.00 C ATOM 420 CD1 LEU A 29 -4.753 -2.332 -0.397 1.00 0.00 C ATOM 421 CD2 LEU A 29 -6.681 -1.942 1.173 1.00 0.00 C ATOM 0 H LEU A 29 -5.900 1.998 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.423 0.434 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.218 0.280 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.231 -0.679 1.675 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.252 -0.817 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.345 -3.096 -0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.091 -1.850 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.157 -2.796 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.244 -2.709 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.142 -2.398 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.368 -1.188 1.557 1.00 0.00 H new ATOM 433 N TYR A 30 -4.653 1.447 3.766 1.00 0.00 N ATOM 434 CA TYR A 30 -3.691 2.080 4.671 1.00 0.00 C ATOM 435 C TYR A 30 -2.420 1.224 4.775 1.00 0.00 C ATOM 436 O TYR A 30 -2.464 0.089 5.257 1.00 0.00 O ATOM 437 CB TYR A 30 -4.319 2.279 6.061 1.00 0.00 C ATOM 438 CG TYR A 30 -3.320 2.620 7.152 1.00 0.00 C ATOM 439 CD1 TYR A 30 -2.857 3.921 7.327 1.00 0.00 C ATOM 440 CD2 TYR A 30 -2.839 1.633 8.010 1.00 0.00 C ATOM 441 CE1 TYR A 30 -1.947 4.225 8.320 1.00 0.00 C ATOM 442 CE2 TYR A 30 -1.931 1.931 9.004 1.00 0.00 C ATOM 443 CZ TYR A 30 -1.488 3.227 9.155 1.00 0.00 C ATOM 444 OH TYR A 30 -0.588 3.528 10.155 1.00 0.00 O ATOM 0 H TYR A 30 -5.240 0.743 4.214 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.421 3.057 4.270 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.061 3.075 6.002 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.850 1.369 6.341 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.215 4.705 6.676 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.184 0.616 7.894 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.596 5.239 8.443 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.569 1.153 9.660 1.00 0.00 H new ATOM 0 HH TYR A 30 0.021 4.231 9.846 1.00 0.00 H new ATOM 454 N VAL A 31 -1.300 1.764 4.307 1.00 0.00 N ATOM 455 CA VAL A 31 -0.022 1.045 4.330 1.00 0.00 C ATOM 456 C VAL A 31 0.947 1.647 5.359 1.00 0.00 C ATOM 457 O VAL A 31 1.572 2.684 5.115 1.00 0.00 O ATOM 458 CB VAL A 31 0.646 1.054 2.933 1.00 0.00 C ATOM 459 CG1 VAL A 31 1.907 0.187 2.920 1.00 0.00 C ATOM 460 CG2 VAL A 31 -0.343 0.598 1.864 1.00 0.00 C ATOM 0 H VAL A 31 -1.247 2.700 3.905 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.243 0.017 4.617 1.00 0.00 H new ATOM 0 HB VAL A 31 0.946 2.077 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.355 0.212 1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.620 0.571 3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.645 -0.840 3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.144 0.611 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.680 -0.414 2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.200 1.271 1.850 1.00 0.00 H new ATOM 470 N GLY A 32 1.058 0.999 6.514 1.00 0.00 N ATOM 471 CA GLY A 32 1.979 1.452 7.549 1.00 0.00 C ATOM 472 C GLY A 32 3.265 0.631 7.596 1.00 0.00 C ATOM 473 O GLY A 32 3.347 -0.370 8.308 1.00 0.00 O ATOM 0 H GLY A 32 0.525 0.164 6.756 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.228 2.499 7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.484 1.399 8.518 1.00 0.00 H new ATOM 477 N SER A 33 4.263 1.052 6.820 1.00 0.00 N ATOM 478 CA SER A 33 5.579 0.382 6.790 1.00 0.00 C ATOM 479 C SER A 33 6.580 1.152 5.910 1.00 0.00 C ATOM 480 O SER A 33 7.579 0.596 5.444 1.00 0.00 O ATOM 481 CB SER A 33 5.444 -1.063 6.275 1.00 0.00 C ATOM 482 OG SER A 33 6.674 -1.773 6.366 1.00 0.00 O ATOM 0 H SER A 33 4.192 1.857 6.198 1.00 0.00 H new ATOM 0 HA SER A 33 5.958 0.364 7.812 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.680 -1.584 6.851 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.108 -1.050 5.238 1.00 0.00 H new ATOM 0 HG SER A 33 7.412 -1.183 6.106 1.00 0.00 H new ATOM 488 N LEU A 34 6.332 2.446 5.695 1.00 0.00 N ATOM 489 CA LEU A 34 7.219 3.268 4.864 1.00 0.00 C ATOM 490 C LEU A 34 8.472 3.660 5.654 1.00 0.00 C ATOM 491 O LEU A 34 8.659 4.813 6.042 1.00 0.00 O ATOM 492 CB LEU A 34 6.490 4.520 4.353 1.00 0.00 C ATOM 493 CG LEU A 34 5.088 4.277 3.770 1.00 0.00 C ATOM 494 CD1 LEU A 34 4.562 5.534 3.089 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.087 3.096 2.805 1.00 0.00 C ATOM 0 H LEU A 34 5.531 2.946 6.081 1.00 0.00 H new ATOM 0 HA LEU A 34 7.521 2.678 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.405 5.231 5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.106 4.991 3.587 1.00 0.00 H new ATOM 0 HG LEU A 34 4.421 4.031 4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.569 5.340 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.505 6.345 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.235 5.818 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.082 2.950 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.774 3.297 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.404 2.196 3.331 1.00 0.00 H new ATOM 507 N HIS A 35 9.316 2.667 5.895 1.00 0.00 N ATOM 508 CA HIS A 35 10.525 2.823 6.709 1.00 0.00 C ATOM 509 C HIS A 35 11.567 3.756 6.067 1.00 0.00 C ATOM 510 O HIS A 35 12.528 3.289 5.460 1.00 0.00 O ATOM 511 CB HIS A 35 11.131 1.436 6.974 1.00 0.00 C ATOM 512 CG HIS A 35 10.989 0.492 5.815 1.00 0.00 C ATOM 513 ND1 HIS A 35 10.095 -0.557 5.813 1.00 0.00 N ATOM 514 CD2 HIS A 35 11.611 0.451 4.613 1.00 0.00 C ATOM 515 CE1 HIS A 35 10.177 -1.203 4.668 1.00 0.00 C ATOM 516 NE2 HIS A 35 11.088 -0.613 3.921 1.00 0.00 N ATOM 0 H HIS A 35 9.185 1.723 5.532 1.00 0.00 H new ATOM 0 HA HIS A 35 10.236 3.296 7.648 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.188 1.549 7.213 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.651 0.999 7.850 1.00 0.00 H new ATOM 0 HD1 HIS A 35 9.467 -0.796 6.580 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.376 1.129 4.264 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.596 -2.069 4.389 1.00 0.00 H new ATOM 525 N PHE A 36 11.343 5.070 6.187 1.00 0.00 N ATOM 526 CA PHE A 36 12.327 6.094 5.786 1.00 0.00 C ATOM 527 C PHE A 36 12.947 5.806 4.397 1.00 0.00 C ATOM 528 O PHE A 36 14.136 6.043 4.164 1.00 0.00 O ATOM 529 CB PHE A 36 13.415 6.180 6.876 1.00 0.00 C ATOM 530 CG PHE A 36 14.341 7.368 6.757 1.00 0.00 C ATOM 531 CD1 PHE A 36 13.862 8.659 6.929 1.00 0.00 C ATOM 532 CD2 PHE A 36 15.691 7.191 6.486 1.00 0.00 C ATOM 533 CE1 PHE A 36 14.710 9.744 6.830 1.00 0.00 C ATOM 534 CE2 PHE A 36 16.539 8.275 6.386 1.00 0.00 C ATOM 535 CZ PHE A 36 16.049 9.552 6.558 1.00 0.00 C ATOM 0 H PHE A 36 10.478 5.457 6.564 1.00 0.00 H new ATOM 0 HA PHE A 36 11.816 7.052 5.692 1.00 0.00 H new ATOM 0 HB2 PHE A 36 12.930 6.212 7.852 1.00 0.00 H new ATOM 0 HB3 PHE A 36 14.012 5.268 6.846 1.00 0.00 H new ATOM 0 HD1 PHE A 36 12.815 8.817 7.142 1.00 0.00 H new ATOM 0 HD2 PHE A 36 16.082 6.193 6.352 1.00 0.00 H new ATOM 0 HE1 PHE A 36 14.325 10.744 6.966 1.00 0.00 H new ATOM 0 HE2 PHE A 36 17.587 8.123 6.173 1.00 0.00 H new ATOM 0 HZ PHE A 36 16.712 10.401 6.480 1.00 0.00 H new ATOM 545 N ASN A 37 12.125 5.319 3.464 1.00 0.00 N ATOM 546 CA ASN A 37 12.622 4.923 2.137 1.00 0.00 C ATOM 547 C ASN A 37 11.490 4.704 1.119 1.00 0.00 C ATOM 548 O ASN A 37 11.601 5.108 -0.040 1.00 0.00 O ATOM 549 CB ASN A 37 13.468 3.645 2.258 1.00 0.00 C ATOM 550 CG ASN A 37 13.916 3.105 0.912 1.00 0.00 C ATOM 551 OD1 ASN A 37 13.254 2.266 0.312 1.00 0.00 O ATOM 552 ND2 ASN A 37 15.040 3.583 0.425 1.00 0.00 N ATOM 0 H ASN A 37 11.122 5.189 3.597 1.00 0.00 H new ATOM 0 HA ASN A 37 13.233 5.745 1.765 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.345 3.852 2.871 1.00 0.00 H new ATOM 0 HB3 ASN A 37 12.890 2.880 2.777 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.385 3.256 -0.478 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.567 4.281 0.950 1.00 0.00 H new ATOM 559 N ILE A 38 10.409 4.063 1.546 1.00 0.00 N ATOM 560 CA ILE A 38 9.339 3.669 0.624 1.00 0.00 C ATOM 561 C ILE A 38 8.497 4.870 0.171 1.00 0.00 C ATOM 562 O ILE A 38 7.657 5.374 0.916 1.00 0.00 O ATOM 563 CB ILE A 38 8.412 2.603 1.258 1.00 0.00 C ATOM 564 CG1 ILE A 38 9.243 1.480 1.901 1.00 0.00 C ATOM 565 CG2 ILE A 38 7.456 2.030 0.209 1.00 0.00 C ATOM 566 CD1 ILE A 38 10.210 0.807 0.946 1.00 0.00 C ATOM 0 H ILE A 38 10.246 3.804 2.519 1.00 0.00 H new ATOM 0 HA ILE A 38 9.830 3.242 -0.250 1.00 0.00 H new ATOM 0 HB ILE A 38 7.820 3.082 2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 38 9.804 1.891 2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.567 0.728 2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.812 1.283 0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.843 2.832 -0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.031 1.566 -0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.759 0.027 1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.655 0.364 0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.912 1.545 0.558 1.00 0.00 H new ATOM 578 N THR A 39 8.737 5.326 -1.055 1.00 0.00 N ATOM 579 CA THR A 39 7.983 6.445 -1.627 1.00 0.00 C ATOM 580 C THR A 39 6.782 5.953 -2.440 1.00 0.00 C ATOM 581 O THR A 39 6.613 4.751 -2.661 1.00 0.00 O ATOM 582 CB THR A 39 8.865 7.330 -2.543 1.00 0.00 C ATOM 583 OG1 THR A 39 9.267 6.596 -3.715 1.00 0.00 O ATOM 584 CG2 THR A 39 10.103 7.825 -1.799 1.00 0.00 C ATOM 0 H THR A 39 9.448 4.939 -1.675 1.00 0.00 H new ATOM 0 HA THR A 39 7.637 7.039 -0.781 1.00 0.00 H new ATOM 0 HB THR A 39 8.271 8.193 -2.845 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.903 7.031 -4.514 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.705 8.444 -2.465 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.797 8.414 -0.934 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.693 6.971 -1.466 1.00 0.00 H new ATOM 592 N GLU A 40 5.962 6.898 -2.895 1.00 0.00 N ATOM 593 CA GLU A 40 4.771 6.596 -3.700 1.00 0.00 C ATOM 594 C GLU A 40 5.107 5.682 -4.893 1.00 0.00 C ATOM 595 O GLU A 40 4.347 4.772 -5.230 1.00 0.00 O ATOM 596 CB GLU A 40 4.166 7.910 -4.206 1.00 0.00 C ATOM 597 CG GLU A 40 3.962 8.946 -3.105 1.00 0.00 C ATOM 598 CD GLU A 40 3.711 10.340 -3.654 1.00 0.00 C ATOM 599 OE1 GLU A 40 4.541 10.818 -4.459 1.00 0.00 O ATOM 600 OE2 GLU A 40 2.703 10.967 -3.274 1.00 0.00 O ATOM 0 H GLU A 40 6.100 7.893 -2.719 1.00 0.00 H new ATOM 0 HA GLU A 40 4.055 6.066 -3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.817 8.329 -4.973 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.207 7.701 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.119 8.648 -2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.842 8.966 -2.462 1.00 0.00 H new ATOM 607 N ASP A 41 6.258 5.935 -5.515 1.00 0.00 N ATOM 608 CA ASP A 41 6.728 5.150 -6.665 1.00 0.00 C ATOM 609 C ASP A 41 6.909 3.664 -6.300 1.00 0.00 C ATOM 610 O ASP A 41 6.426 2.773 -7.004 1.00 0.00 O ATOM 611 CB ASP A 41 8.049 5.734 -7.172 1.00 0.00 C ATOM 612 CG ASP A 41 7.991 7.246 -7.279 1.00 0.00 C ATOM 613 OD1 ASP A 41 8.216 7.921 -6.250 1.00 0.00 O ATOM 614 OD2 ASP A 41 7.707 7.766 -8.378 1.00 0.00 O ATOM 0 H ASP A 41 6.891 6.686 -5.240 1.00 0.00 H new ATOM 0 HA ASP A 41 5.974 5.206 -7.450 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.856 5.448 -6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.284 5.309 -8.148 1.00 0.00 H new ATOM 619 N MET A 42 7.596 3.406 -5.184 1.00 0.00 N ATOM 620 CA MET A 42 7.801 2.032 -4.703 1.00 0.00 C ATOM 621 C MET A 42 6.464 1.378 -4.342 1.00 0.00 C ATOM 622 O MET A 42 6.235 0.203 -4.631 1.00 0.00 O ATOM 623 CB MET A 42 8.736 2.019 -3.486 1.00 0.00 C ATOM 624 CG MET A 42 10.166 2.428 -3.809 1.00 0.00 C ATOM 625 SD MET A 42 10.926 1.350 -5.044 1.00 0.00 S ATOM 626 CE MET A 42 12.566 2.068 -5.171 1.00 0.00 C ATOM 0 H MET A 42 8.019 4.125 -4.597 1.00 0.00 H new ATOM 0 HA MET A 42 8.263 1.460 -5.507 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.338 2.691 -2.726 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.742 1.018 -3.054 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.174 3.456 -4.173 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.762 2.408 -2.897 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.153 1.507 -5.898 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.485 3.106 -5.493 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.057 2.027 -4.199 1.00 0.00 H new ATOM 636 N LEU A 43 5.591 2.157 -3.712 1.00 0.00 N ATOM 637 CA LEU A 43 4.243 1.702 -3.371 1.00 0.00 C ATOM 638 C LEU A 43 3.475 1.238 -4.618 1.00 0.00 C ATOM 639 O LEU A 43 2.828 0.193 -4.602 1.00 0.00 O ATOM 640 CB LEU A 43 3.488 2.827 -2.654 1.00 0.00 C ATOM 641 CG LEU A 43 4.019 3.154 -1.252 1.00 0.00 C ATOM 642 CD1 LEU A 43 3.449 4.472 -0.737 1.00 0.00 C ATOM 643 CD2 LEU A 43 3.704 2.010 -0.290 1.00 0.00 C ATOM 0 H LEU A 43 5.793 3.114 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 43 4.325 0.844 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.535 3.728 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.437 2.550 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 43 5.101 3.269 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.844 4.675 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.733 5.280 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.362 4.404 -0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.085 2.253 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.625 1.865 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.177 1.095 -0.646 1.00 0.00 H new ATOM 655 N ARG A 44 3.553 2.012 -5.699 1.00 0.00 N ATOM 656 CA ARG A 44 2.962 1.600 -6.975 1.00 0.00 C ATOM 657 C ARG A 44 3.594 0.303 -7.481 1.00 0.00 C ATOM 658 O ARG A 44 2.897 -0.627 -7.880 1.00 0.00 O ATOM 659 CB ARG A 44 3.131 2.690 -8.037 1.00 0.00 C ATOM 660 CG ARG A 44 2.398 3.978 -7.710 1.00 0.00 C ATOM 661 CD ARG A 44 2.449 4.962 -8.868 1.00 0.00 C ATOM 662 NE ARG A 44 1.927 4.369 -10.100 1.00 0.00 N ATOM 663 CZ ARG A 44 2.416 4.599 -11.286 1.00 0.00 C ATOM 664 NH1 ARG A 44 3.407 5.422 -11.445 1.00 0.00 N ATOM 665 NH2 ARG A 44 1.910 3.992 -12.310 1.00 0.00 N ATOM 0 H ARG A 44 4.015 2.921 -5.720 1.00 0.00 H new ATOM 0 HA ARG A 44 1.899 1.434 -6.799 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.192 2.907 -8.157 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.773 2.311 -8.994 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.359 3.754 -7.468 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.841 4.434 -6.825 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.870 5.851 -8.617 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.478 5.286 -9.026 1.00 0.00 H new ATOM 0 HE ARG A 44 1.131 3.736 -10.026 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.811 5.896 -10.637 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.782 5.595 -12.378 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.135 3.340 -12.185 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.286 4.165 -13.242 1.00 0.00 H new ATOM 679 N GLY A 45 4.918 0.246 -7.451 1.00 0.00 N ATOM 680 CA GLY A 45 5.628 -0.927 -7.935 1.00 0.00 C ATOM 681 C GLY A 45 5.223 -2.224 -7.227 1.00 0.00 C ATOM 682 O GLY A 45 5.253 -3.305 -7.823 1.00 0.00 O ATOM 0 H GLY A 45 5.517 0.993 -7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.448 -1.035 -9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.699 -0.772 -7.806 1.00 0.00 H new ATOM 686 N ILE A 46 4.868 -2.121 -5.949 1.00 0.00 N ATOM 687 CA ILE A 46 4.406 -3.278 -5.167 1.00 0.00 C ATOM 688 C ILE A 46 2.887 -3.519 -5.322 1.00 0.00 C ATOM 689 O ILE A 46 2.446 -4.630 -5.626 1.00 0.00 O ATOM 690 CB ILE A 46 4.740 -3.093 -3.663 1.00 0.00 C ATOM 691 CG1 ILE A 46 6.250 -2.852 -3.474 1.00 0.00 C ATOM 692 CG2 ILE A 46 4.286 -4.306 -2.850 1.00 0.00 C ATOM 693 CD1 ILE A 46 6.657 -2.564 -2.041 1.00 0.00 C ATOM 0 H ILE A 46 4.890 -1.246 -5.425 1.00 0.00 H new ATOM 0 HA ILE A 46 4.932 -4.149 -5.559 1.00 0.00 H new ATOM 0 HB ILE A 46 4.199 -2.219 -3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.794 -3.729 -3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.555 -2.015 -4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.531 -4.152 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.209 -4.433 -2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.794 -5.199 -3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.734 -2.406 -1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.143 -1.669 -1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.386 -3.410 -1.409 1.00 0.00 H new ATOM 705 N PHE A 47 2.099 -2.464 -5.119 1.00 0.00 N ATOM 706 CA PHE A 47 0.631 -2.572 -5.041 1.00 0.00 C ATOM 707 C PHE A 47 -0.072 -2.531 -6.415 1.00 0.00 C ATOM 708 O PHE A 47 -1.025 -3.274 -6.647 1.00 0.00 O ATOM 709 CB PHE A 47 0.080 -1.455 -4.143 1.00 0.00 C ATOM 710 CG PHE A 47 0.409 -1.629 -2.680 1.00 0.00 C ATOM 711 CD1 PHE A 47 1.693 -1.391 -2.208 1.00 0.00 C ATOM 712 CD2 PHE A 47 -0.564 -2.036 -1.777 1.00 0.00 C ATOM 713 CE1 PHE A 47 1.997 -1.552 -0.870 1.00 0.00 C ATOM 714 CE2 PHE A 47 -0.265 -2.199 -0.438 1.00 0.00 C ATOM 715 CZ PHE A 47 1.018 -1.957 0.015 1.00 0.00 C ATOM 0 H PHE A 47 2.451 -1.514 -5.004 1.00 0.00 H new ATOM 0 HA PHE A 47 0.416 -3.553 -4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.477 -0.499 -4.484 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.003 -1.410 -4.259 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.464 -1.076 -2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.568 -2.228 -2.126 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.000 -1.361 -0.517 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.032 -2.515 0.253 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.255 -2.085 1.061 1.00 0.00 H new ATOM 725 N GLU A 48 0.390 -1.667 -7.321 1.00 0.00 N ATOM 726 CA GLU A 48 -0.279 -1.476 -8.621 1.00 0.00 C ATOM 727 C GLU A 48 -0.373 -2.783 -9.451 1.00 0.00 C ATOM 728 O GLU A 48 -1.378 -3.008 -10.129 1.00 0.00 O ATOM 729 CB GLU A 48 0.413 -0.361 -9.427 1.00 0.00 C ATOM 730 CG GLU A 48 -0.389 0.126 -10.629 1.00 0.00 C ATOM 731 CD GLU A 48 0.185 1.396 -11.243 1.00 0.00 C ATOM 732 OE1 GLU A 48 1.044 1.294 -12.141 1.00 0.00 O ATOM 733 OE2 GLU A 48 -0.211 2.502 -10.822 1.00 0.00 O ATOM 0 H GLU A 48 1.219 -1.089 -7.185 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.304 -1.174 -8.406 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.607 0.484 -8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.381 -0.724 -9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.415 -0.659 -11.385 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.419 0.309 -10.323 1.00 0.00 H new ATOM 740 N PRO A 49 0.661 -3.668 -9.431 1.00 0.00 N ATOM 741 CA PRO A 49 0.563 -5.011 -10.048 1.00 0.00 C ATOM 742 C PRO A 49 -0.670 -5.827 -9.592 1.00 0.00 C ATOM 743 O PRO A 49 -0.985 -6.868 -10.176 1.00 0.00 O ATOM 744 CB PRO A 49 1.853 -5.698 -9.592 1.00 0.00 C ATOM 745 CG PRO A 49 2.820 -4.581 -9.413 1.00 0.00 C ATOM 746 CD PRO A 49 2.014 -3.426 -8.882 1.00 0.00 C ATOM 0 HA PRO A 49 0.443 -4.937 -11.129 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.704 -6.248 -8.663 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.206 -6.415 -10.334 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.613 -4.857 -8.718 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.299 -4.323 -10.357 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.008 -3.408 -7.792 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.417 -2.469 -9.214 1.00 0.00 H new ATOM 754 N PHE A 50 -1.348 -5.373 -8.533 1.00 0.00 N ATOM 755 CA PHE A 50 -2.618 -5.983 -8.097 1.00 0.00 C ATOM 756 C PHE A 50 -3.819 -5.287 -8.755 1.00 0.00 C ATOM 757 O PHE A 50 -4.854 -5.908 -9.011 1.00 0.00 O ATOM 758 CB PHE A 50 -2.764 -5.911 -6.570 1.00 0.00 C ATOM 759 CG PHE A 50 -1.806 -6.799 -5.820 1.00 0.00 C ATOM 760 CD1 PHE A 50 -2.127 -8.124 -5.568 1.00 0.00 C ATOM 761 CD2 PHE A 50 -0.591 -6.311 -5.361 1.00 0.00 C ATOM 762 CE1 PHE A 50 -1.258 -8.942 -4.876 1.00 0.00 C ATOM 763 CE2 PHE A 50 0.280 -7.126 -4.665 1.00 0.00 C ATOM 764 CZ PHE A 50 -0.054 -8.443 -4.423 1.00 0.00 C ATOM 0 H PHE A 50 -1.043 -4.587 -7.960 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.600 -7.028 -8.406 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.614 -4.880 -6.249 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.784 -6.184 -6.300 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.069 -8.521 -5.918 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.323 -5.282 -5.550 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.520 -9.973 -4.689 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.221 -6.733 -4.310 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.626 -9.082 -3.880 1.00 0.00 H new ATOM 774 N GLY A 51 -3.660 -3.994 -9.019 1.00 0.00 N ATOM 775 CA GLY A 51 -4.708 -3.197 -9.638 1.00 0.00 C ATOM 776 C GLY A 51 -4.259 -1.758 -9.855 1.00 0.00 C ATOM 777 O GLY A 51 -3.657 -1.159 -8.963 1.00 0.00 O ATOM 0 H GLY A 51 -2.807 -3.474 -8.811 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.987 -3.640 -10.594 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.597 -3.211 -9.008 1.00 0.00 H new ATOM 781 N ARG A 52 -4.529 -1.210 -11.041 1.00 0.00 N ATOM 782 CA ARG A 52 -4.122 0.165 -11.373 1.00 0.00 C ATOM 783 C ARG A 52 -4.519 1.160 -10.265 1.00 0.00 C ATOM 784 O ARG A 52 -5.668 1.187 -9.814 1.00 0.00 O ATOM 785 CB ARG A 52 -4.712 0.594 -12.733 1.00 0.00 C ATOM 786 CG ARG A 52 -4.284 1.998 -13.184 1.00 0.00 C ATOM 787 CD ARG A 52 -5.245 3.088 -12.706 1.00 0.00 C ATOM 788 NE ARG A 52 -4.571 4.369 -12.504 1.00 0.00 N ATOM 789 CZ ARG A 52 -5.014 5.516 -12.943 1.00 0.00 C ATOM 790 NH1 ARG A 52 -6.048 5.577 -13.718 1.00 0.00 N ATOM 791 NH2 ARG A 52 -4.409 6.608 -12.608 1.00 0.00 N ATOM 0 H ARG A 52 -5.027 -1.693 -11.789 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.035 0.178 -11.448 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.411 -0.128 -13.492 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.800 0.559 -12.673 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.284 2.208 -12.804 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.224 2.023 -14.272 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.044 3.211 -13.437 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.712 2.774 -11.773 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.694 4.367 -11.984 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.529 4.721 -13.994 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.382 6.481 -14.053 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.589 6.572 -12.003 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.752 7.506 -12.949 1.00 0.00 H new ATOM 805 N ILE A 53 -3.554 1.971 -9.841 1.00 0.00 N ATOM 806 CA ILE A 53 -3.749 2.915 -8.740 1.00 0.00 C ATOM 807 C ILE A 53 -4.127 4.321 -9.243 1.00 0.00 C ATOM 808 O ILE A 53 -3.451 4.893 -10.102 1.00 0.00 O ATOM 809 CB ILE A 53 -2.471 2.997 -7.867 1.00 0.00 C ATOM 810 CG1 ILE A 53 -2.147 1.608 -7.283 1.00 0.00 C ATOM 811 CG2 ILE A 53 -2.629 4.035 -6.755 1.00 0.00 C ATOM 812 CD1 ILE A 53 -0.845 1.542 -6.513 1.00 0.00 C ATOM 0 H ILE A 53 -2.619 1.994 -10.247 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.579 2.542 -8.140 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.640 3.316 -8.496 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.961 1.306 -6.624 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.111 0.884 -8.097 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.717 4.071 -6.159 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.813 5.015 -7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.469 3.760 -6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.695 0.530 -6.137 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.019 1.810 -7.171 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.882 2.238 -5.675 1.00 0.00 H new ATOM 824 N GLU A 54 -5.208 4.867 -8.689 1.00 0.00 N ATOM 825 CA GLU A 54 -5.693 6.206 -9.045 1.00 0.00 C ATOM 826 C GLU A 54 -4.779 7.295 -8.462 1.00 0.00 C ATOM 827 O GLU A 54 -4.249 8.142 -9.187 1.00 0.00 O ATOM 828 CB GLU A 54 -7.126 6.392 -8.518 1.00 0.00 C ATOM 829 CG GLU A 54 -8.184 5.572 -9.261 1.00 0.00 C ATOM 830 CD GLU A 54 -8.681 6.250 -10.533 1.00 0.00 C ATOM 831 OE1 GLU A 54 -9.445 7.234 -10.425 1.00 0.00 O ATOM 832 OE2 GLU A 54 -8.326 5.801 -11.643 1.00 0.00 O ATOM 0 H GLU A 54 -5.774 4.398 -7.982 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.686 6.299 -10.131 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.150 6.122 -7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.390 7.448 -8.583 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.767 4.597 -9.515 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.030 5.394 -8.597 1.00 0.00 H new ATOM 839 N SER A 55 -4.617 7.274 -7.140 1.00 0.00 N ATOM 840 CA SER A 55 -3.771 8.252 -6.445 1.00 0.00 C ATOM 841 C SER A 55 -3.184 7.676 -5.150 1.00 0.00 C ATOM 842 O SER A 55 -3.803 6.835 -4.494 1.00 0.00 O ATOM 843 CB SER A 55 -4.569 9.522 -6.121 1.00 0.00 C ATOM 844 OG SER A 55 -3.767 10.482 -5.442 1.00 0.00 O ATOM 0 H SER A 55 -5.060 6.591 -6.525 1.00 0.00 H new ATOM 0 HA SER A 55 -2.948 8.499 -7.116 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.955 9.956 -7.043 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.430 9.265 -5.505 1.00 0.00 H new ATOM 0 HG SER A 55 -4.303 11.280 -5.251 1.00 0.00 H new ATOM 850 N ILE A 56 -1.990 8.139 -4.787 1.00 0.00 N ATOM 851 CA ILE A 56 -1.353 7.761 -3.519 1.00 0.00 C ATOM 852 C ILE A 56 -1.080 9.004 -2.660 1.00 0.00 C ATOM 853 O ILE A 56 -0.698 10.056 -3.176 1.00 0.00 O ATOM 854 CB ILE A 56 -0.019 6.996 -3.745 1.00 0.00 C ATOM 855 CG1 ILE A 56 -0.269 5.692 -4.522 1.00 0.00 C ATOM 856 CG2 ILE A 56 0.674 6.705 -2.408 1.00 0.00 C ATOM 857 CD1 ILE A 56 0.969 4.838 -4.706 1.00 0.00 C ATOM 0 H ILE A 56 -1.437 8.781 -5.355 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.047 7.099 -3.001 1.00 0.00 H new ATOM 0 HB ILE A 56 0.641 7.628 -4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.026 5.108 -3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.678 5.938 -5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.605 6.169 -2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.889 7.644 -1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.020 6.095 -1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.710 3.937 -5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.721 5.402 -5.258 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.367 4.560 -3.730 1.00 0.00 H new ATOM 869 N GLN A 57 -1.293 8.879 -1.356 1.00 0.00 N ATOM 870 CA GLN A 57 -1.049 9.976 -0.415 1.00 0.00 C ATOM 871 C GLN A 57 -0.047 9.542 0.668 1.00 0.00 C ATOM 872 O GLN A 57 -0.364 8.718 1.527 1.00 0.00 O ATOM 873 CB GLN A 57 -2.372 10.417 0.230 1.00 0.00 C ATOM 874 CG GLN A 57 -2.268 11.687 1.073 1.00 0.00 C ATOM 875 CD GLN A 57 -1.945 12.927 0.247 1.00 0.00 C ATOM 876 OE1 GLN A 57 -2.314 13.029 -0.920 1.00 0.00 O ATOM 877 NE2 GLN A 57 -1.262 13.881 0.845 1.00 0.00 N ATOM 0 H GLN A 57 -1.637 8.024 -0.919 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.623 10.818 -0.961 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.110 10.576 -0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.744 9.608 0.858 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.209 11.844 1.601 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.496 11.551 1.831 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.969 13.767 1.815 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.026 14.734 0.338 1.00 0.00 H new ATOM 886 N LEU A 58 1.159 10.100 0.625 1.00 0.00 N ATOM 887 CA LEU A 58 2.227 9.727 1.563 1.00 0.00 C ATOM 888 C LEU A 58 2.297 10.752 2.709 1.00 0.00 C ATOM 889 O LEU A 58 2.352 11.958 2.470 1.00 0.00 O ATOM 890 CB LEU A 58 3.568 9.656 0.799 1.00 0.00 C ATOM 891 CG LEU A 58 4.651 8.730 1.394 1.00 0.00 C ATOM 892 CD1 LEU A 58 5.829 8.595 0.431 1.00 0.00 C ATOM 893 CD2 LEU A 58 5.138 9.229 2.752 1.00 0.00 C ATOM 0 H LEU A 58 1.427 10.816 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 58 2.018 8.749 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.363 9.330 -0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.978 10.664 0.735 1.00 0.00 H new ATOM 0 HG LEU A 58 4.197 7.750 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.582 7.939 0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.482 8.172 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.265 9.577 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.899 8.551 3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.563 10.227 2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.300 9.267 3.448 1.00 0.00 H new ATOM 905 N MET A 59 2.298 10.274 3.955 1.00 0.00 N ATOM 906 CA MET A 59 2.231 11.174 5.112 1.00 0.00 C ATOM 907 C MET A 59 3.622 11.535 5.656 1.00 0.00 C ATOM 908 O MET A 59 4.220 10.799 6.447 1.00 0.00 O ATOM 909 CB MET A 59 1.367 10.566 6.225 1.00 0.00 C ATOM 910 CG MET A 59 -0.056 10.228 5.786 1.00 0.00 C ATOM 911 SD MET A 59 -1.167 9.944 7.180 1.00 0.00 S ATOM 912 CE MET A 59 -1.211 11.581 7.915 1.00 0.00 C ATOM 0 H MET A 59 2.344 9.282 4.189 1.00 0.00 H new ATOM 0 HA MET A 59 1.768 12.098 4.765 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.849 9.660 6.592 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.323 11.265 7.061 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.447 11.042 5.176 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.036 9.339 5.156 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.154 11.717 8.444 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.383 11.687 8.616 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.122 12.334 7.132 1.00 0.00 H new ATOM 922 N MET A 60 4.136 12.671 5.195 1.00 0.00 N ATOM 923 CA MET A 60 5.368 13.261 5.730 1.00 0.00 C ATOM 924 C MET A 60 5.050 14.570 6.462 1.00 0.00 C ATOM 925 O MET A 60 4.128 15.294 6.081 1.00 0.00 O ATOM 926 CB MET A 60 6.373 13.536 4.601 1.00 0.00 C ATOM 927 CG MET A 60 6.919 12.284 3.929 1.00 0.00 C ATOM 928 SD MET A 60 8.107 12.665 2.623 1.00 0.00 S ATOM 929 CE MET A 60 8.622 11.019 2.134 1.00 0.00 C ATOM 0 H MET A 60 3.714 13.212 4.440 1.00 0.00 H new ATOM 0 HA MET A 60 5.810 12.552 6.430 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.892 14.159 3.847 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.207 14.110 5.005 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.397 11.652 4.678 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.093 11.711 3.509 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.681 11.031 1.876 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.457 10.326 2.959 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.041 10.698 1.269 1.00 0.00 H new ATOM 939 N ASP A 61 5.798 14.867 7.516 1.00 0.00 N ATOM 940 CA ASP A 61 5.632 16.128 8.237 1.00 0.00 C ATOM 941 C ASP A 61 5.976 17.331 7.348 1.00 0.00 C ATOM 942 O ASP A 61 7.144 17.644 7.144 1.00 0.00 O ATOM 943 CB ASP A 61 6.511 16.136 9.493 1.00 0.00 C ATOM 944 CG ASP A 61 5.982 15.209 10.566 1.00 0.00 C ATOM 945 OD1 ASP A 61 6.358 14.020 10.580 1.00 0.00 O ATOM 946 OD2 ASP A 61 5.174 15.664 11.400 1.00 0.00 O ATOM 0 H ASP A 61 6.524 14.257 7.892 1.00 0.00 H new ATOM 0 HA ASP A 61 4.585 16.212 8.528 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.525 15.839 9.227 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.569 17.150 9.888 1.00 0.00 H new ATOM 951 N SER A 62 4.956 18.008 6.824 1.00 0.00 N ATOM 952 CA SER A 62 5.166 19.225 6.020 1.00 0.00 C ATOM 953 C SER A 62 5.812 20.353 6.849 1.00 0.00 C ATOM 954 O SER A 62 6.143 21.419 6.321 1.00 0.00 O ATOM 955 CB SER A 62 3.834 19.712 5.430 1.00 0.00 C ATOM 956 OG SER A 62 3.247 18.726 4.598 1.00 0.00 O ATOM 0 H SER A 62 3.978 17.742 6.937 1.00 0.00 H new ATOM 0 HA SER A 62 5.849 18.967 5.211 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.147 19.965 6.238 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.000 20.623 4.856 1.00 0.00 H new ATOM 0 HG SER A 62 2.400 19.063 4.238 1.00 0.00 H new ATOM 962 N GLU A 63 5.978 20.110 8.148 1.00 0.00 N ATOM 963 CA GLU A 63 6.631 21.059 9.057 1.00 0.00 C ATOM 964 C GLU A 63 8.161 20.949 8.965 1.00 0.00 C ATOM 965 O GLU A 63 8.856 21.920 8.663 1.00 0.00 O ATOM 966 CB GLU A 63 6.193 20.778 10.501 1.00 0.00 C ATOM 967 CG GLU A 63 6.708 21.791 11.519 1.00 0.00 C ATOM 968 CD GLU A 63 6.501 21.337 12.957 1.00 0.00 C ATOM 969 OE1 GLU A 63 5.337 21.150 13.367 1.00 0.00 O ATOM 970 OE2 GLU A 63 7.501 21.135 13.674 1.00 0.00 O ATOM 0 H GLU A 63 5.665 19.252 8.602 1.00 0.00 H new ATOM 0 HA GLU A 63 6.335 22.066 8.765 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.104 20.761 10.542 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.539 19.785 10.787 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.770 21.965 11.347 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.200 22.743 11.366 1.00 0.00 H new ATOM 977 N THR A 64 8.670 19.752 9.242 1.00 0.00 N ATOM 978 CA THR A 64 10.117 19.487 9.267 1.00 0.00 C ATOM 979 C THR A 64 10.594 18.758 8.003 1.00 0.00 C ATOM 980 O THR A 64 11.726 18.937 7.559 1.00 0.00 O ATOM 981 CB THR A 64 10.483 18.620 10.491 1.00 0.00 C ATOM 982 OG1 THR A 64 9.743 17.388 10.444 1.00 0.00 O ATOM 983 CG2 THR A 64 10.178 19.348 11.798 1.00 0.00 C ATOM 0 H THR A 64 8.098 18.935 9.456 1.00 0.00 H new ATOM 0 HA THR A 64 10.611 20.457 9.321 1.00 0.00 H new ATOM 0 HB THR A 64 11.553 18.416 10.457 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.852 16.909 11.292 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.447 18.711 12.641 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.755 20.272 11.843 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.114 19.582 11.845 1.00 0.00 H new ATOM 991 N GLY A 65 9.723 17.930 7.437 1.00 0.00 N ATOM 992 CA GLY A 65 10.069 17.141 6.255 1.00 0.00 C ATOM 993 C GLY A 65 10.438 15.701 6.596 1.00 0.00 C ATOM 994 O GLY A 65 11.193 15.054 5.871 1.00 0.00 O ATOM 0 H GLY A 65 8.772 17.786 7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.227 17.142 5.563 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.905 17.614 5.740 1.00 0.00 H new ATOM 998 N ARG A 66 9.901 15.193 7.705 1.00 0.00 N ATOM 999 CA ARG A 66 10.227 13.835 8.173 1.00 0.00 C ATOM 1000 C ARG A 66 9.161 12.811 7.756 1.00 0.00 C ATOM 1001 O ARG A 66 8.006 13.158 7.519 1.00 0.00 O ATOM 1002 CB ARG A 66 10.394 13.827 9.698 1.00 0.00 C ATOM 1003 CG ARG A 66 11.492 14.764 10.195 1.00 0.00 C ATOM 1004 CD ARG A 66 12.859 14.390 9.629 1.00 0.00 C ATOM 1005 NE ARG A 66 13.324 13.089 10.114 1.00 0.00 N ATOM 1006 CZ ARG A 66 14.271 12.385 9.549 1.00 0.00 C ATOM 1007 NH1 ARG A 66 14.805 12.775 8.436 1.00 0.00 N ATOM 1008 NH2 ARG A 66 14.653 11.273 10.087 1.00 0.00 N ATOM 0 H ARG A 66 9.240 15.695 8.298 1.00 0.00 H new ATOM 0 HA ARG A 66 11.166 13.544 7.702 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.449 14.110 10.161 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.618 12.812 10.026 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.250 15.789 9.913 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.529 14.734 11.284 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.806 14.372 8.540 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.584 15.157 9.900 1.00 0.00 H new ATOM 0 HE ARG A 66 12.880 12.706 10.948 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.488 13.637 7.993 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.543 12.220 8.002 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.216 10.947 10.949 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.391 10.722 9.649 1.00 0.00 H new ATOM 1022 N SER A 67 9.557 11.544 7.687 1.00 0.00 N ATOM 1023 CA SER A 67 8.657 10.467 7.246 1.00 0.00 C ATOM 1024 C SER A 67 7.990 9.755 8.435 1.00 0.00 C ATOM 1025 O SER A 67 8.664 9.087 9.226 1.00 0.00 O ATOM 1026 CB SER A 67 9.430 9.440 6.402 1.00 0.00 C ATOM 1027 OG SER A 67 9.957 10.033 5.226 1.00 0.00 O ATOM 0 H SER A 67 10.497 11.230 7.930 1.00 0.00 H new ATOM 0 HA SER A 67 7.874 10.926 6.643 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.242 9.017 6.994 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.769 8.616 6.132 1.00 0.00 H new ATOM 0 HG SER A 67 10.445 9.358 4.710 1.00 0.00 H new ATOM 1033 N LYS A 68 6.663 9.877 8.552 1.00 0.00 N ATOM 1034 CA LYS A 68 5.919 9.214 9.637 1.00 0.00 C ATOM 1035 C LYS A 68 5.742 7.703 9.391 1.00 0.00 C ATOM 1036 O LYS A 68 5.332 6.964 10.289 1.00 0.00 O ATOM 1037 CB LYS A 68 4.561 9.899 9.861 1.00 0.00 C ATOM 1038 CG LYS A 68 4.615 11.001 10.916 1.00 0.00 C ATOM 1039 CD LYS A 68 3.293 11.752 11.039 1.00 0.00 C ATOM 1040 CE LYS A 68 3.225 12.561 12.333 1.00 0.00 C ATOM 1041 NZ LYS A 68 4.460 13.357 12.567 1.00 0.00 N ATOM 0 H LYS A 68 6.083 10.424 7.916 1.00 0.00 H new ATOM 0 HA LYS A 68 6.515 9.317 10.544 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.214 10.323 8.918 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.828 9.151 10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.873 10.564 11.881 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.408 11.705 10.662 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.172 12.419 10.185 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.466 11.042 11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.366 13.230 12.296 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.066 11.885 13.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.699 13.338 13.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.244 12.950 12.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.301 14.340 12.267 1.00 0.00 H new ATOM 1055 N GLY A 69 6.045 7.252 8.175 1.00 0.00 N ATOM 1056 CA GLY A 69 6.126 5.816 7.905 1.00 0.00 C ATOM 1057 C GLY A 69 4.822 5.158 7.449 1.00 0.00 C ATOM 1058 O GLY A 69 4.718 3.932 7.454 1.00 0.00 O ATOM 0 H GLY A 69 6.236 7.850 7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.884 5.650 7.139 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.470 5.313 8.809 1.00 0.00 H new ATOM 1062 N TYR A 70 3.830 5.946 7.040 1.00 0.00 N ATOM 1063 CA TYR A 70 2.573 5.378 6.527 1.00 0.00 C ATOM 1064 C TYR A 70 1.931 6.246 5.436 1.00 0.00 C ATOM 1065 O TYR A 70 2.134 7.463 5.381 1.00 0.00 O ATOM 1066 CB TYR A 70 1.574 5.111 7.670 1.00 0.00 C ATOM 1067 CG TYR A 70 1.507 6.191 8.735 1.00 0.00 C ATOM 1068 CD1 TYR A 70 0.958 7.442 8.470 1.00 0.00 C ATOM 1069 CD2 TYR A 70 1.976 5.943 10.022 1.00 0.00 C ATOM 1070 CE1 TYR A 70 0.884 8.411 9.453 1.00 0.00 C ATOM 1071 CE2 TYR A 70 1.907 6.907 11.006 1.00 0.00 C ATOM 1072 CZ TYR A 70 1.361 8.138 10.720 1.00 0.00 C ATOM 1073 OH TYR A 70 1.286 9.098 11.706 1.00 0.00 O ATOM 0 H TYR A 70 3.864 6.965 7.051 1.00 0.00 H new ATOM 0 HA TYR A 70 2.833 4.426 6.063 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.580 4.985 7.240 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.837 4.167 8.148 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.584 7.659 7.480 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.402 4.978 10.254 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.455 9.377 9.231 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.280 6.697 11.998 1.00 0.00 H new ATOM 0 HH TYR A 70 1.665 8.743 12.537 1.00 0.00 H new ATOM 1083 N GLY A 71 1.169 5.593 4.557 1.00 0.00 N ATOM 1084 CA GLY A 71 0.495 6.286 3.461 1.00 0.00 C ATOM 1085 C GLY A 71 -0.804 5.604 3.030 1.00 0.00 C ATOM 1086 O GLY A 71 -1.023 4.425 3.314 1.00 0.00 O ATOM 0 H GLY A 71 1.004 4.587 4.584 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.277 7.310 3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.169 6.344 2.606 1.00 0.00 H new ATOM 1090 N PHE A 72 -1.670 6.350 2.342 1.00 0.00 N ATOM 1091 CA PHE A 72 -2.948 5.814 1.849 1.00 0.00 C ATOM 1092 C PHE A 72 -2.937 5.650 0.321 1.00 0.00 C ATOM 1093 O PHE A 72 -2.650 6.596 -0.413 1.00 0.00 O ATOM 1094 CB PHE A 72 -4.105 6.737 2.262 1.00 0.00 C ATOM 1095 CG PHE A 72 -4.312 6.821 3.754 1.00 0.00 C ATOM 1096 CD1 PHE A 72 -5.163 5.932 4.400 1.00 0.00 C ATOM 1097 CD2 PHE A 72 -3.661 7.788 4.510 1.00 0.00 C ATOM 1098 CE1 PHE A 72 -5.358 6.008 5.766 1.00 0.00 C ATOM 1099 CE2 PHE A 72 -3.853 7.866 5.875 1.00 0.00 C ATOM 1100 CZ PHE A 72 -4.702 6.975 6.504 1.00 0.00 C ATOM 0 H PHE A 72 -1.512 7.331 2.111 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.089 4.830 2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.916 7.738 1.874 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.025 6.383 1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.677 5.174 3.828 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.997 8.487 4.024 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.023 5.312 6.257 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.340 8.622 6.451 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.853 7.034 7.572 1.00 0.00 H new ATOM 1110 N ILE A 73 -3.258 4.448 -0.155 1.00 0.00 N ATOM 1111 CA ILE A 73 -3.276 4.160 -1.595 1.00 0.00 C ATOM 1112 C ILE A 73 -4.703 3.900 -2.102 1.00 0.00 C ATOM 1113 O ILE A 73 -5.446 3.116 -1.516 1.00 0.00 O ATOM 1114 CB ILE A 73 -2.389 2.933 -1.928 1.00 0.00 C ATOM 1115 CG1 ILE A 73 -0.949 3.173 -1.450 1.00 0.00 C ATOM 1116 CG2 ILE A 73 -2.416 2.636 -3.427 1.00 0.00 C ATOM 1117 CD1 ILE A 73 -0.034 1.981 -1.643 1.00 0.00 C ATOM 0 H ILE A 73 -3.510 3.654 0.434 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.879 5.042 -2.098 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.789 2.065 -1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.536 4.027 -1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.966 3.438 -0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.787 1.771 -3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.439 2.425 -3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.041 3.500 -3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.965 2.227 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.423 1.130 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.015 1.728 -2.702 1.00 0.00 H new ATOM 1129 N THR A 74 -5.076 4.557 -3.199 1.00 0.00 N ATOM 1130 CA THR A 74 -6.418 4.390 -3.790 1.00 0.00 C ATOM 1131 C THR A 74 -6.360 3.603 -5.106 1.00 0.00 C ATOM 1132 O THR A 74 -5.726 4.035 -6.069 1.00 0.00 O ATOM 1133 CB THR A 74 -7.099 5.756 -4.064 1.00 0.00 C ATOM 1134 OG1 THR A 74 -7.233 6.498 -2.842 1.00 0.00 O ATOM 1135 CG2 THR A 74 -8.478 5.577 -4.700 1.00 0.00 C ATOM 0 H THR A 74 -4.475 5.210 -3.701 1.00 0.00 H new ATOM 0 HA THR A 74 -7.004 3.834 -3.058 1.00 0.00 H new ATOM 0 HB THR A 74 -6.465 6.304 -4.761 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.663 7.359 -3.028 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.926 6.554 -4.878 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.376 5.047 -5.647 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.116 5.002 -4.029 1.00 0.00 H new ATOM 1143 N PHE A 75 -7.049 2.465 -5.151 1.00 0.00 N ATOM 1144 CA PHE A 75 -7.085 1.619 -6.353 1.00 0.00 C ATOM 1145 C PHE A 75 -8.367 1.860 -7.166 1.00 0.00 C ATOM 1146 O PHE A 75 -9.417 2.179 -6.606 1.00 0.00 O ATOM 1147 CB PHE A 75 -7.011 0.133 -5.968 1.00 0.00 C ATOM 1148 CG PHE A 75 -5.748 -0.261 -5.242 1.00 0.00 C ATOM 1149 CD1 PHE A 75 -5.549 0.104 -3.917 1.00 0.00 C ATOM 1150 CD2 PHE A 75 -4.766 -1.002 -5.881 1.00 0.00 C ATOM 1151 CE1 PHE A 75 -4.399 -0.263 -3.248 1.00 0.00 C ATOM 1152 CE2 PHE A 75 -3.615 -1.372 -5.213 1.00 0.00 C ATOM 1153 CZ PHE A 75 -3.432 -1.002 -3.895 1.00 0.00 C ATOM 0 H PHE A 75 -7.593 2.102 -4.369 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.222 1.885 -6.964 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.868 -0.110 -5.339 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.098 -0.469 -6.873 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.303 0.682 -3.404 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.902 -1.293 -6.912 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.257 0.029 -2.218 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.858 -1.951 -5.721 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.532 -1.291 -3.372 1.00 0.00 H new ATOM 1163 N SER A 76 -8.280 1.677 -8.483 1.00 0.00 N ATOM 1164 CA SER A 76 -9.441 1.842 -9.378 1.00 0.00 C ATOM 1165 C SER A 76 -10.411 0.645 -9.289 1.00 0.00 C ATOM 1166 O SER A 76 -11.325 0.512 -10.105 1.00 0.00 O ATOM 1167 CB SER A 76 -8.964 2.008 -10.830 1.00 0.00 C ATOM 1168 OG SER A 76 -7.950 2.996 -10.930 1.00 0.00 O ATOM 0 H SER A 76 -7.419 1.414 -8.961 1.00 0.00 H new ATOM 0 HA SER A 76 -9.978 2.735 -9.057 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.585 1.056 -11.202 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.807 2.284 -11.463 1.00 0.00 H new ATOM 0 HG SER A 76 -8.325 3.811 -11.324 1.00 0.00 H new ATOM 1174 N ASP A 77 -10.203 -0.222 -8.300 1.00 0.00 N ATOM 1175 CA ASP A 77 -11.038 -1.414 -8.117 1.00 0.00 C ATOM 1176 C ASP A 77 -11.040 -1.859 -6.641 1.00 0.00 C ATOM 1177 O ASP A 77 -10.035 -1.720 -5.937 1.00 0.00 O ATOM 1178 CB ASP A 77 -10.519 -2.549 -9.013 1.00 0.00 C ATOM 1179 CG ASP A 77 -11.473 -3.732 -9.075 1.00 0.00 C ATOM 1180 OD1 ASP A 77 -11.494 -4.537 -8.123 1.00 0.00 O ATOM 1181 OD2 ASP A 77 -12.197 -3.861 -10.085 1.00 0.00 O ATOM 0 H ASP A 77 -9.460 -0.123 -7.608 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.062 -1.171 -8.399 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.357 -2.166 -10.020 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.552 -2.887 -8.641 1.00 0.00 H new ATOM 1186 N SER A 78 -12.171 -2.393 -6.183 1.00 0.00 N ATOM 1187 CA SER A 78 -12.317 -2.848 -4.791 1.00 0.00 C ATOM 1188 C SER A 78 -11.585 -4.174 -4.540 1.00 0.00 C ATOM 1189 O SER A 78 -10.832 -4.307 -3.575 1.00 0.00 O ATOM 1190 CB SER A 78 -13.802 -3.004 -4.429 1.00 0.00 C ATOM 1191 OG SER A 78 -13.967 -3.585 -3.141 1.00 0.00 O ATOM 0 H SER A 78 -13.006 -2.524 -6.754 1.00 0.00 H new ATOM 0 HA SER A 78 -11.864 -2.086 -4.156 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.288 -2.029 -4.454 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.296 -3.626 -5.176 1.00 0.00 H new ATOM 0 HG SER A 78 -14.922 -3.669 -2.940 1.00 0.00 H new ATOM 1197 N GLU A 79 -11.791 -5.150 -5.420 1.00 0.00 N ATOM 1198 CA GLU A 79 -11.223 -6.489 -5.230 1.00 0.00 C ATOM 1199 C GLU A 79 -9.702 -6.489 -5.436 1.00 0.00 C ATOM 1200 O GLU A 79 -8.988 -7.274 -4.814 1.00 0.00 O ATOM 1201 CB GLU A 79 -11.890 -7.494 -6.173 1.00 0.00 C ATOM 1202 CG GLU A 79 -13.403 -7.575 -6.004 1.00 0.00 C ATOM 1203 CD GLU A 79 -14.034 -8.673 -6.841 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -13.920 -8.620 -8.083 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -14.667 -9.583 -6.261 1.00 0.00 O ATOM 0 H GLU A 79 -12.345 -5.043 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.420 -6.789 -4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.662 -7.220 -7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.460 -8.481 -6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.637 -7.746 -4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.846 -6.617 -6.277 1.00 0.00 H new ATOM 1212 N CYS A 80 -9.215 -5.610 -6.310 1.00 0.00 N ATOM 1213 CA CYS A 80 -7.767 -5.433 -6.498 1.00 0.00 C ATOM 1214 C CYS A 80 -7.086 -4.999 -5.191 1.00 0.00 C ATOM 1215 O CYS A 80 -6.052 -5.547 -4.805 1.00 0.00 O ATOM 1216 CB CYS A 80 -7.485 -4.401 -7.595 1.00 0.00 C ATOM 1217 SG CYS A 80 -7.997 -4.914 -9.252 1.00 0.00 S ATOM 0 H CYS A 80 -9.794 -5.010 -6.898 1.00 0.00 H new ATOM 0 HA CYS A 80 -7.355 -6.396 -6.801 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -7.995 -3.471 -7.342 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -6.417 -4.186 -7.608 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.005 -5.506 -9.849 1.00 0.00 H new ATOM 1223 N ALA A 81 -7.680 -4.016 -4.515 1.00 0.00 N ATOM 1224 CA ALA A 81 -7.178 -3.548 -3.217 1.00 0.00 C ATOM 1225 C ALA A 81 -7.356 -4.628 -2.140 1.00 0.00 C ATOM 1226 O ALA A 81 -6.451 -4.889 -1.347 1.00 0.00 O ATOM 1227 CB ALA A 81 -7.896 -2.266 -2.811 1.00 0.00 C ATOM 0 H ALA A 81 -8.512 -3.525 -4.843 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.112 -3.340 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.517 -1.926 -1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.719 -1.496 -3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.966 -2.457 -2.733 1.00 0.00 H new ATOM 1233 N LYS A 82 -8.531 -5.251 -2.127 1.00 0.00 N ATOM 1234 CA LYS A 82 -8.831 -6.348 -1.201 1.00 0.00 C ATOM 1235 C LYS A 82 -7.778 -7.469 -1.301 1.00 0.00 C ATOM 1236 O LYS A 82 -7.267 -7.954 -0.287 1.00 0.00 O ATOM 1237 CB LYS A 82 -10.228 -6.898 -1.515 1.00 0.00 C ATOM 1238 CG LYS A 82 -10.715 -7.978 -0.555 1.00 0.00 C ATOM 1239 CD LYS A 82 -12.091 -8.507 -0.956 1.00 0.00 C ATOM 1240 CE LYS A 82 -13.135 -7.394 -1.020 1.00 0.00 C ATOM 1241 NZ LYS A 82 -14.458 -7.898 -1.471 1.00 0.00 N ATOM 0 H LYS A 82 -9.301 -5.014 -2.753 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.805 -5.965 -0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.940 -6.073 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.226 -7.304 -2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.999 -8.800 -0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.760 -7.573 0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.022 -8.996 -1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.411 -9.264 -0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.238 -6.936 -0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.793 -6.614 -1.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.138 -7.111 -1.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.366 -8.312 -2.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.797 -8.624 -0.808 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.458 -7.865 -2.532 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.440 -8.893 -2.786 1.00 0.00 C ATOM 1257 C LYS A 83 -5.035 -8.400 -2.406 1.00 0.00 C ATOM 1258 O LYS A 83 -4.252 -9.137 -1.802 1.00 0.00 O ATOM 1259 CB LYS A 83 -6.474 -9.317 -4.263 1.00 0.00 C ATOM 1260 CG LYS A 83 -5.390 -10.324 -4.644 1.00 0.00 C ATOM 1261 CD LYS A 83 -5.487 -10.765 -6.107 1.00 0.00 C ATOM 1262 CE LYS A 83 -6.535 -11.862 -6.323 1.00 0.00 C ATOM 1263 NZ LYS A 83 -7.926 -11.408 -6.044 1.00 0.00 N ATOM 0 H LYS A 83 -7.890 -7.489 -3.376 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.670 -9.755 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.450 -9.748 -4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.368 -8.430 -4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.410 -9.882 -4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.468 -11.199 -3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.735 -9.903 -6.727 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.514 -11.127 -6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.475 -12.215 -7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.301 -12.711 -5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.595 -11.971 -6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.135 -11.532 -5.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.021 -10.404 -6.296 1.00 0.00 H new ATOM 1277 N ALA A 84 -4.720 -7.154 -2.763 1.00 0.00 N ATOM 1278 CA ALA A 84 -3.434 -6.552 -2.399 1.00 0.00 C ATOM 1279 C ALA A 84 -3.197 -6.636 -0.888 1.00 0.00 C ATOM 1280 O ALA A 84 -2.116 -7.013 -0.434 1.00 0.00 O ATOM 1281 CB ALA A 84 -3.375 -5.100 -2.867 1.00 0.00 C ATOM 0 H ALA A 84 -5.334 -6.543 -3.302 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.644 -7.113 -2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.414 -4.667 -2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.491 -5.062 -3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.178 -4.533 -2.396 1.00 0.00 H new ATOM 1287 N LEU A 85 -4.228 -6.300 -0.118 1.00 0.00 N ATOM 1288 CA LEU A 85 -4.176 -6.393 1.342 1.00 0.00 C ATOM 1289 C LEU A 85 -3.845 -7.826 1.781 1.00 0.00 C ATOM 1290 O LEU A 85 -2.902 -8.048 2.536 1.00 0.00 O ATOM 1291 CB LEU A 85 -5.521 -5.932 1.940 1.00 0.00 C ATOM 1292 CG LEU A 85 -5.586 -5.800 3.482 1.00 0.00 C ATOM 1293 CD1 LEU A 85 -6.740 -4.887 3.888 1.00 0.00 C ATOM 1294 CD2 LEU A 85 -5.744 -7.161 4.164 1.00 0.00 C ATOM 0 H LEU A 85 -5.117 -5.958 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.385 -5.740 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.774 -4.965 1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.292 -6.635 1.625 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.642 -5.365 3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.773 -4.804 4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.593 -3.899 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.679 -5.306 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.785 -7.024 5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.665 -7.634 3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.895 -7.795 3.911 1.00 0.00 H new ATOM 1306 N GLU A 86 -4.613 -8.796 1.280 1.00 0.00 N ATOM 1307 CA GLU A 86 -4.443 -10.205 1.667 1.00 0.00 C ATOM 1308 C GLU A 86 -3.008 -10.712 1.418 1.00 0.00 C ATOM 1309 O GLU A 86 -2.475 -11.505 2.196 1.00 0.00 O ATOM 1310 CB GLU A 86 -5.440 -11.093 0.901 1.00 0.00 C ATOM 1311 CG GLU A 86 -6.909 -10.782 1.182 1.00 0.00 C ATOM 1312 CD GLU A 86 -7.301 -11.012 2.635 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -7.346 -12.184 3.065 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -7.577 -10.027 3.355 1.00 0.00 O ATOM 0 H GLU A 86 -5.360 -8.635 0.605 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.637 -10.266 2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.257 -10.985 -0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.247 -12.136 1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.112 -9.744 0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.535 -11.403 0.541 1.00 0.00 H new ATOM 1321 N GLN A 87 -2.378 -10.243 0.342 1.00 0.00 N ATOM 1322 CA GLN A 87 -1.057 -10.740 -0.052 1.00 0.00 C ATOM 1323 C GLN A 87 0.080 -9.967 0.636 1.00 0.00 C ATOM 1324 O GLN A 87 1.105 -10.546 1.003 1.00 0.00 O ATOM 1325 CB GLN A 87 -0.898 -10.654 -1.575 1.00 0.00 C ATOM 1326 CG GLN A 87 -1.949 -11.438 -2.362 1.00 0.00 C ATOM 1327 CD GLN A 87 -1.851 -12.948 -2.183 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -1.452 -13.453 -1.137 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -2.216 -13.686 -3.211 1.00 0.00 N ATOM 0 H GLN A 87 -2.758 -9.522 -0.272 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.990 -11.780 0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -0.943 -9.607 -1.875 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.092 -11.021 -1.847 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.941 -11.108 -2.053 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.849 -11.200 -3.421 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.544 -13.240 -4.068 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.171 -14.703 -3.150 1.00 0.00 H new ATOM 1338 N LEU A 88 -0.113 -8.663 0.817 1.00 0.00 N ATOM 1339 CA LEU A 88 0.946 -7.786 1.333 1.00 0.00 C ATOM 1340 C LEU A 88 0.848 -7.564 2.855 1.00 0.00 C ATOM 1341 O LEU A 88 1.800 -7.092 3.480 1.00 0.00 O ATOM 1342 CB LEU A 88 0.910 -6.450 0.584 1.00 0.00 C ATOM 1343 CG LEU A 88 1.085 -6.572 -0.938 1.00 0.00 C ATOM 1344 CD1 LEU A 88 0.910 -5.222 -1.620 1.00 0.00 C ATOM 1345 CD2 LEU A 88 2.444 -7.183 -1.277 1.00 0.00 C ATOM 0 H LEU A 88 -0.992 -8.186 0.615 1.00 0.00 H new ATOM 0 HA LEU A 88 1.901 -8.281 1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.040 -5.957 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.696 -5.805 0.978 1.00 0.00 H new ATOM 0 HG LEU A 88 0.308 -7.238 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.039 -5.338 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.089 -4.837 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.654 -4.523 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.548 -7.261 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.237 -6.549 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.517 -8.176 -0.833 1.00 0.00 H new ATOM 1357 N ASN A 89 -0.293 -7.900 3.452 1.00 0.00 N ATOM 1358 CA ASN A 89 -0.438 -7.837 4.910 1.00 0.00 C ATOM 1359 C ASN A 89 0.518 -8.839 5.581 1.00 0.00 C ATOM 1360 O ASN A 89 0.289 -10.052 5.552 1.00 0.00 O ATOM 1361 CB ASN A 89 -1.889 -8.127 5.317 1.00 0.00 C ATOM 1362 CG ASN A 89 -2.115 -8.014 6.813 1.00 0.00 C ATOM 1363 OD1 ASN A 89 -1.925 -8.970 7.557 1.00 0.00 O ATOM 1364 ND2 ASN A 89 -2.543 -6.852 7.264 1.00 0.00 N ATOM 0 H ASN A 89 -1.126 -8.217 2.956 1.00 0.00 H new ATOM 0 HA ASN A 89 -0.181 -6.832 5.244 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -2.552 -7.433 4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -2.160 -9.130 4.988 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -2.727 -6.728 8.260 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -2.691 -6.077 6.617 1.00 0.00 H new ATOM 1371 N GLY A 90 1.599 -8.326 6.160 1.00 0.00 N ATOM 1372 CA GLY A 90 2.613 -9.188 6.762 1.00 0.00 C ATOM 1373 C GLY A 90 3.759 -9.514 5.806 1.00 0.00 C ATOM 1374 O GLY A 90 4.515 -10.463 6.026 1.00 0.00 O ATOM 0 H GLY A 90 1.796 -7.327 6.226 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.015 -8.702 7.651 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.145 -10.116 7.091 1.00 0.00 H new ATOM 1378 N PHE A 91 3.876 -8.730 4.733 1.00 0.00 N ATOM 1379 CA PHE A 91 4.959 -8.892 3.753 1.00 0.00 C ATOM 1380 C PHE A 91 6.278 -8.311 4.282 1.00 0.00 C ATOM 1381 O PHE A 91 6.306 -7.203 4.815 1.00 0.00 O ATOM 1382 CB PHE A 91 4.573 -8.210 2.430 1.00 0.00 C ATOM 1383 CG PHE A 91 5.632 -8.299 1.355 1.00 0.00 C ATOM 1384 CD1 PHE A 91 5.804 -9.469 0.627 1.00 0.00 C ATOM 1385 CD2 PHE A 91 6.455 -7.215 1.073 1.00 0.00 C ATOM 1386 CE1 PHE A 91 6.772 -9.555 -0.357 1.00 0.00 C ATOM 1387 CE2 PHE A 91 7.423 -7.297 0.090 1.00 0.00 C ATOM 1388 CZ PHE A 91 7.581 -8.467 -0.626 1.00 0.00 C ATOM 0 H PHE A 91 3.230 -7.970 4.517 1.00 0.00 H new ATOM 0 HA PHE A 91 5.106 -9.958 3.580 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.653 -8.661 2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.357 -7.160 2.625 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.174 -10.322 0.832 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.337 -6.297 1.629 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.896 -10.472 -0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.055 -6.447 -0.118 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.336 -8.532 -1.396 1.00 0.00 H new ATOM 1398 N GLU A 92 7.368 -9.062 4.132 1.00 0.00 N ATOM 1399 CA GLU A 92 8.686 -8.602 4.584 1.00 0.00 C ATOM 1400 C GLU A 92 9.320 -7.616 3.591 1.00 0.00 C ATOM 1401 O GLU A 92 9.985 -8.022 2.638 1.00 0.00 O ATOM 1402 CB GLU A 92 9.636 -9.789 4.792 1.00 0.00 C ATOM 1403 CG GLU A 92 9.177 -10.777 5.855 1.00 0.00 C ATOM 1404 CD GLU A 92 10.201 -11.874 6.100 1.00 0.00 C ATOM 1405 OE1 GLU A 92 11.109 -11.674 6.933 1.00 0.00 O ATOM 1406 OE2 GLU A 92 10.115 -12.936 5.446 1.00 0.00 O ATOM 0 H GLU A 92 7.368 -9.988 3.703 1.00 0.00 H new ATOM 0 HA GLU A 92 8.531 -8.087 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.751 -10.318 3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.620 -9.409 5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.988 -10.244 6.787 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.233 -11.226 5.548 1.00 0.00 H new ATOM 1413 N LEU A 93 9.106 -6.323 3.807 1.00 0.00 N ATOM 1414 CA LEU A 93 9.744 -5.290 2.984 1.00 0.00 C ATOM 1415 C LEU A 93 10.963 -4.703 3.714 1.00 0.00 C ATOM 1416 O LEU A 93 10.858 -4.274 4.864 1.00 0.00 O ATOM 1417 CB LEU A 93 8.740 -4.183 2.635 1.00 0.00 C ATOM 1418 CG LEU A 93 9.254 -3.128 1.641 1.00 0.00 C ATOM 1419 CD1 LEU A 93 9.647 -3.780 0.316 1.00 0.00 C ATOM 1420 CD2 LEU A 93 8.207 -2.037 1.418 1.00 0.00 C ATOM 0 H LEU A 93 8.498 -5.961 4.542 1.00 0.00 H new ATOM 0 HA LEU A 93 10.084 -5.748 2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.843 -4.644 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.443 -3.679 3.555 1.00 0.00 H new ATOM 0 HG LEU A 93 10.142 -2.663 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.008 -3.016 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.435 -4.512 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.779 -4.277 -0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.592 -1.302 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.297 -2.483 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.984 -1.547 2.366 1.00 0.00 H new ATOM 1432 N ALA A 94 12.121 -4.711 3.046 1.00 0.00 N ATOM 1433 CA ALA A 94 13.392 -4.277 3.656 1.00 0.00 C ATOM 1434 C ALA A 94 13.814 -5.199 4.812 1.00 0.00 C ATOM 1435 O ALA A 94 14.727 -4.878 5.576 1.00 0.00 O ATOM 1436 CB ALA A 94 13.301 -2.829 4.142 1.00 0.00 C ATOM 0 H ALA A 94 12.209 -5.015 2.076 1.00 0.00 H new ATOM 0 HA ALA A 94 14.156 -4.339 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 94 14.251 -2.534 4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 94 13.077 -2.176 3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 94 12.509 -2.744 4.887 1.00 0.00 H new ATOM 1442 N GLY A 95 13.149 -6.348 4.927 1.00 0.00 N ATOM 1443 CA GLY A 95 13.444 -7.298 5.999 1.00 0.00 C ATOM 1444 C GLY A 95 12.492 -7.186 7.188 1.00 0.00 C ATOM 1445 O GLY A 95 12.644 -7.898 8.182 1.00 0.00 O ATOM 0 H GLY A 95 12.405 -6.643 4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.397 -8.311 5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.465 -7.139 6.345 1.00 0.00 H new ATOM 1449 N ARG A 96 11.501 -6.301 7.087 1.00 0.00 N ATOM 1450 CA ARG A 96 10.536 -6.081 8.173 1.00 0.00 C ATOM 1451 C ARG A 96 9.087 -6.121 7.643 1.00 0.00 C ATOM 1452 O ARG A 96 8.849 -5.850 6.465 1.00 0.00 O ATOM 1453 CB ARG A 96 10.834 -4.740 8.866 1.00 0.00 C ATOM 1454 CG ARG A 96 10.644 -3.513 7.979 1.00 0.00 C ATOM 1455 CD ARG A 96 11.250 -2.261 8.607 1.00 0.00 C ATOM 1456 NE ARG A 96 12.711 -2.342 8.687 1.00 0.00 N ATOM 1457 CZ ARG A 96 13.501 -1.319 8.887 1.00 0.00 C ATOM 1458 NH1 ARG A 96 13.021 -0.142 9.138 1.00 0.00 N ATOM 1459 NH2 ARG A 96 14.779 -1.493 8.876 1.00 0.00 N ATOM 0 H ARG A 96 11.342 -5.721 6.263 1.00 0.00 H new ATOM 0 HA ARG A 96 10.638 -6.884 8.903 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.188 -4.645 9.739 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.861 -4.754 9.230 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.105 -3.692 7.007 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.580 -3.353 7.803 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.966 -1.387 8.020 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.839 -2.121 9.607 1.00 0.00 H new ATOM 0 HE ARG A 96 13.142 -3.260 8.579 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.012 -0.002 9.182 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.652 0.644 9.291 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.166 -2.423 8.712 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.403 -0.701 9.031 1.00 0.00 H new ATOM 1473 N PRO A 97 8.102 -6.466 8.501 1.00 0.00 N ATOM 1474 CA PRO A 97 6.697 -6.659 8.076 1.00 0.00 C ATOM 1475 C PRO A 97 6.004 -5.378 7.561 1.00 0.00 C ATOM 1476 O PRO A 97 6.337 -4.259 7.956 1.00 0.00 O ATOM 1477 CB PRO A 97 6.007 -7.174 9.351 1.00 0.00 C ATOM 1478 CG PRO A 97 6.859 -6.675 10.470 1.00 0.00 C ATOM 1479 CD PRO A 97 8.271 -6.701 9.952 1.00 0.00 C ATOM 0 HA PRO A 97 6.641 -7.338 7.225 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.988 -6.796 9.430 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.944 -8.262 9.356 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.568 -5.666 10.763 1.00 0.00 H new ATOM 0 HG3 PRO A 97 6.754 -7.306 11.353 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.885 -5.929 10.416 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.756 -7.657 10.152 1.00 0.00 H new ATOM 1487 N MET A 98 5.034 -5.570 6.664 1.00 0.00 N ATOM 1488 CA MET A 98 4.229 -4.471 6.116 1.00 0.00 C ATOM 1489 C MET A 98 2.780 -4.523 6.644 1.00 0.00 C ATOM 1490 O MET A 98 2.069 -5.508 6.433 1.00 0.00 O ATOM 1491 CB MET A 98 4.226 -4.550 4.580 1.00 0.00 C ATOM 1492 CG MET A 98 3.431 -3.442 3.902 1.00 0.00 C ATOM 1493 SD MET A 98 3.293 -3.669 2.118 1.00 0.00 S ATOM 1494 CE MET A 98 5.016 -3.672 1.632 1.00 0.00 C ATOM 0 H MET A 98 4.783 -6.488 6.297 1.00 0.00 H new ATOM 0 HA MET A 98 4.673 -3.529 6.436 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.255 -4.515 4.223 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.817 -5.514 4.277 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.432 -3.400 4.336 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.907 -2.483 4.106 1.00 0.00 H new ATOM 0 HE1 MET A 98 5.089 -3.571 0.549 1.00 0.00 H new ATOM 0 HE2 MET A 98 5.530 -2.838 2.109 1.00 0.00 H new ATOM 0 HE3 MET A 98 5.480 -4.609 1.941 1.00 0.00 H new ATOM 1504 N LYS A 99 2.341 -3.461 7.324 1.00 0.00 N ATOM 1505 CA LYS A 99 0.965 -3.387 7.842 1.00 0.00 C ATOM 1506 C LYS A 99 0.004 -2.768 6.814 1.00 0.00 C ATOM 1507 O LYS A 99 -0.058 -1.550 6.661 1.00 0.00 O ATOM 1508 CB LYS A 99 0.920 -2.572 9.147 1.00 0.00 C ATOM 1509 CG LYS A 99 1.586 -3.265 10.332 1.00 0.00 C ATOM 1510 CD LYS A 99 1.476 -2.435 11.609 1.00 0.00 C ATOM 1511 CE LYS A 99 2.052 -3.171 12.818 1.00 0.00 C ATOM 1512 NZ LYS A 99 3.481 -3.536 12.622 1.00 0.00 N ATOM 0 H LYS A 99 2.913 -2.642 7.530 1.00 0.00 H new ATOM 0 HA LYS A 99 0.640 -4.408 8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.406 -1.611 8.981 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.120 -2.364 9.398 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.123 -4.239 10.491 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.637 -3.445 10.105 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.003 -1.490 11.474 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.430 -2.193 11.796 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.957 -2.543 13.704 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.470 -4.074 13.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.874 -3.894 13.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.554 -4.273 11.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.016 -2.696 12.321 1.00 0.00 H new ATOM 1526 N VAL A 100 -0.733 -3.617 6.103 1.00 0.00 N ATOM 1527 CA VAL A 100 -1.740 -3.152 5.142 1.00 0.00 C ATOM 1528 C VAL A 100 -3.165 -3.421 5.654 1.00 0.00 C ATOM 1529 O VAL A 100 -3.557 -4.574 5.846 1.00 0.00 O ATOM 1530 CB VAL A 100 -1.568 -3.833 3.761 1.00 0.00 C ATOM 1531 CG1 VAL A 100 -2.512 -3.211 2.727 1.00 0.00 C ATOM 1532 CG2 VAL A 100 -0.115 -3.762 3.295 1.00 0.00 C ATOM 0 H VAL A 100 -0.655 -4.632 6.171 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.591 -2.078 5.031 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.832 -4.885 3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.374 -3.705 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.544 -3.337 3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.291 -2.149 2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.020 -4.247 2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.190 -2.719 3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.524 -4.270 4.018 1.00 0.00 H new ATOM 1542 N GLY A 101 -3.929 -2.353 5.882 1.00 0.00 N ATOM 1543 CA GLY A 101 -5.313 -2.489 6.337 1.00 0.00 C ATOM 1544 C GLY A 101 -6.251 -1.480 5.678 1.00 0.00 C ATOM 1545 O GLY A 101 -5.894 -0.317 5.506 1.00 0.00 O ATOM 0 H GLY A 101 -3.616 -1.390 5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.664 -3.499 6.124 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.350 -2.361 7.419 1.00 0.00 H new ATOM 1549 N HIS A 102 -7.458 -1.910 5.320 1.00 0.00 N ATOM 1550 CA HIS A 102 -8.411 -1.029 4.625 1.00 0.00 C ATOM 1551 C HIS A 102 -9.062 -0.022 5.594 1.00 0.00 C ATOM 1552 O HIS A 102 -10.220 -0.175 5.979 1.00 0.00 O ATOM 1553 CB HIS A 102 -9.487 -1.857 3.895 1.00 0.00 C ATOM 1554 CG HIS A 102 -10.301 -2.756 4.789 1.00 0.00 C ATOM 1555 ND1 HIS A 102 -11.449 -2.342 5.435 1.00 0.00 N ATOM 1556 CD2 HIS A 102 -10.133 -4.054 5.136 1.00 0.00 C ATOM 1557 CE1 HIS A 102 -11.947 -3.339 6.135 1.00 0.00 C ATOM 1558 NE2 HIS A 102 -11.171 -4.388 5.969 1.00 0.00 N ATOM 0 H HIS A 102 -7.804 -2.854 5.495 1.00 0.00 H new ATOM 0 HA HIS A 102 -7.852 -0.459 3.883 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -10.161 -1.175 3.376 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -9.002 -2.467 3.133 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -11.850 -1.406 5.378 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -9.332 -4.705 4.817 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -12.840 -3.302 6.742 1.00 0.00 H new ATOM 1567 N VAL A 103 -8.297 1.002 5.995 1.00 0.00 N ATOM 1568 CA VAL A 103 -8.784 2.011 6.953 1.00 0.00 C ATOM 1569 C VAL A 103 -9.291 1.321 8.241 1.00 0.00 C ATOM 1570 O VAL A 103 -10.264 1.739 8.870 1.00 0.00 O ATOM 1571 CB VAL A 103 -9.906 2.886 6.316 1.00 0.00 C ATOM 1572 CG1 VAL A 103 -10.248 4.089 7.197 1.00 0.00 C ATOM 1573 CG2 VAL A 103 -9.497 3.344 4.914 1.00 0.00 C ATOM 0 H VAL A 103 -7.341 1.156 5.674 1.00 0.00 H new ATOM 0 HA VAL A 103 -7.955 2.669 7.214 1.00 0.00 H new ATOM 0 HB VAL A 103 -10.802 2.271 6.236 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.034 4.676 6.722 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.594 3.741 8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.361 4.708 7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.292 3.954 4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -8.582 3.932 4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -9.326 2.473 4.282 1.00 0.00 H new ATOM 1583 N THR A 104 -8.591 0.257 8.630 1.00 0.00 N ATOM 1584 CA THR A 104 -9.011 -0.610 9.745 1.00 0.00 C ATOM 1585 C THR A 104 -8.739 0.022 11.123 1.00 0.00 C ATOM 1586 O THR A 104 -9.283 -0.423 12.136 1.00 0.00 O ATOM 1587 CB THR A 104 -8.289 -1.983 9.663 1.00 0.00 C ATOM 1588 OG1 THR A 104 -8.383 -2.507 8.326 1.00 0.00 O ATOM 1589 CG2 THR A 104 -8.886 -2.993 10.641 1.00 0.00 C ATOM 0 H THR A 104 -7.719 -0.033 8.187 1.00 0.00 H new ATOM 0 HA THR A 104 -10.088 -0.744 9.646 1.00 0.00 H new ATOM 0 HB THR A 104 -7.245 -1.823 9.931 1.00 0.00 H new ATOM 0 HG1 THR A 104 -7.924 -3.372 8.281 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.355 -3.941 10.554 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.790 -2.615 11.659 1.00 0.00 H new ATOM 0 HG23 THR A 104 -9.940 -3.145 10.409 1.00 0.00 H new ATOM 1597 N GLU A 105 -7.912 1.066 11.158 1.00 0.00 N ATOM 1598 CA GLU A 105 -7.501 1.679 12.429 1.00 0.00 C ATOM 1599 C GLU A 105 -8.688 2.273 13.204 1.00 0.00 C ATOM 1600 O GLU A 105 -9.410 3.134 12.696 1.00 0.00 O ATOM 1601 CB GLU A 105 -6.451 2.777 12.203 1.00 0.00 C ATOM 1602 CG GLU A 105 -5.163 2.286 11.554 1.00 0.00 C ATOM 1603 CD GLU A 105 -4.024 3.284 11.700 1.00 0.00 C ATOM 1604 OE1 GLU A 105 -4.056 4.335 11.028 1.00 0.00 O ATOM 1605 OE2 GLU A 105 -3.096 3.021 12.499 1.00 0.00 O ATOM 0 H GLU A 105 -7.513 1.506 10.329 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.069 0.876 13.025 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.886 3.556 11.577 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.209 3.236 13.162 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -4.871 1.337 12.004 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -5.342 2.095 10.496 1.00 0.00 H new ATOM 1612 N ARG A 106 -8.869 1.806 14.444 1.00 0.00 N ATOM 1613 CA ARG A 106 -9.908 2.322 15.349 1.00 0.00 C ATOM 1614 C ARG A 106 -11.317 2.203 14.737 1.00 0.00 C ATOM 1615 O ARG A 106 -12.197 3.021 15.020 1.00 0.00 O ATOM 1616 CB ARG A 106 -9.596 3.781 15.720 1.00 0.00 C ATOM 1617 CG ARG A 106 -8.165 3.989 16.211 1.00 0.00 C ATOM 1618 CD ARG A 106 -7.882 5.447 16.559 1.00 0.00 C ATOM 1619 NE ARG A 106 -8.557 5.875 17.783 1.00 0.00 N ATOM 1620 CZ ARG A 106 -8.165 6.883 18.514 1.00 0.00 C ATOM 1621 NH1 ARG A 106 -7.166 7.619 18.139 1.00 0.00 N ATOM 1622 NH2 ARG A 106 -8.785 7.167 19.610 1.00 0.00 N ATOM 0 H ARG A 106 -8.302 1.062 14.850 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.902 1.712 16.252 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.769 4.414 14.850 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.289 4.107 16.495 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -7.990 3.367 17.089 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.467 3.659 15.442 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -6.807 5.587 16.673 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.200 6.082 15.732 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.382 5.356 18.083 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -6.680 7.412 17.267 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.866 8.405 18.716 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.582 6.604 19.906 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.478 7.955 20.180 1.00 0.00 H new ATOM 1636 N THR A 107 -11.513 1.158 13.923 1.00 0.00 N ATOM 1637 CA THR A 107 -12.796 0.865 13.248 1.00 0.00 C ATOM 1638 C THR A 107 -13.265 2.010 12.333 1.00 0.00 C ATOM 1639 O THR A 107 -13.194 1.903 11.103 1.00 0.00 O ATOM 1640 CB THR A 107 -13.936 0.496 14.243 1.00 0.00 C ATOM 1641 OG1 THR A 107 -14.293 1.621 15.062 1.00 0.00 O ATOM 1642 CG2 THR A 107 -13.525 -0.673 15.136 1.00 0.00 C ATOM 0 H THR A 107 -10.781 0.481 13.708 1.00 0.00 H new ATOM 0 HA THR A 107 -12.587 -0.007 12.629 1.00 0.00 H new ATOM 0 HB THR A 107 -14.802 0.203 13.649 1.00 0.00 H new ATOM 0 HG1 THR A 107 -13.482 2.103 15.327 1.00 0.00 H new ATOM 0 HG21 THR A 107 -14.338 -0.911 15.821 1.00 0.00 H new ATOM 0 HG22 THR A 107 -13.305 -1.543 14.518 1.00 0.00 H new ATOM 0 HG23 THR A 107 -12.637 -0.400 15.707 1.00 0.00 H new ATOM 1650 N ASP A 108 -13.753 3.096 12.924 1.00 0.00 N ATOM 1651 CA ASP A 108 -14.235 4.251 12.156 1.00 0.00 C ATOM 1652 C ASP A 108 -13.550 5.557 12.618 1.00 0.00 C ATOM 1653 O ASP A 108 -14.058 6.212 13.560 1.00 0.00 O ATOM 1654 CB ASP A 108 -15.764 4.356 12.281 1.00 0.00 C ATOM 1655 CG ASP A 108 -16.354 5.375 11.322 1.00 0.00 C ATOM 1656 OD1 ASP A 108 -16.630 5.010 10.160 1.00 0.00 O ATOM 1657 OD2 ASP A 108 -16.540 6.545 11.720 1.00 0.00 O ATOM 1658 OXT ASP A 108 -12.496 5.918 12.044 1.00 0.00 O ATOM 0 H ASP A 108 -13.827 3.206 13.935 1.00 0.00 H new ATOM 0 HA ASP A 108 -13.976 4.104 11.107 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -16.209 3.380 12.089 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -16.024 4.630 13.303 1.00 0.00 H new TER 1663 ASP A 108