USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 545 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 110 LYS NZ :NH3+ 160:sc= 0.0707 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 30:sc= 0.0609 USER MOD Set 1.3: A 131 GLN : amide:sc= -0.243 X(o=-0.11,f=-0.53) USER MOD Set 2.1: A 111 CYS SG : rot -142:sc= -0.26 USER MOD Set 2.2: A 115 CYS SG : rot 127:sc= 0.392 USER MOD Set 2.3: A 125 CYS SG : rot -159:sc= -0.224 USER MOD Set 2.4: A 128 CYS SG : rot -30:sc= -1.14 USER MOD Set 3.1: A 101 THR OG1 : rot 68:sc= 0.632 USER MOD Set 3.2: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 74 CYS SG : rot 158:sc= -0.944 USER MOD Set 4.2: A 77 CYS SG : rot -58:sc= 0.639 USER MOD Set 4.3: A 91 CYS SG : rot -131:sc= 1.39 USER MOD Set 4.4: A 94 CYS SG : rot 82:sc= -0.68 USER MOD Single : A 80 LYS NZ :NH3+ -160:sc= -0.0367 (180deg=-0.524) USER MOD Single : A 82 SER OG : rot 150:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc=-0.00222 X(o=-0.0022,f=-0.029) USER MOD Single : A 86 TYR OH : rot -139:sc= -0.935 USER MOD Single : A 89 HIS : no HD1:sc= -0.188 K(o=-0.19,f=-1.1) USER MOD Single : A 95 LYS NZ :NH3+ -151:sc= -0.167 (180deg=-1.02) USER MOD Single : A 104 MET CE :methyl -119:sc= -11.2! (180deg=-13!) USER MOD Single : A 105 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.039) USER MOD Single : A 114 SER OG : rot 69:sc= 0.663 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 LYS NZ :NH3+ -167:sc= -0.0067 (180deg=-0.123) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 123 ASN : amide:sc= -1.65 X(o=-1.7,f=-1.4!) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 CYS SG : rot -96:sc= -0.104 USER MOD Single : A 138 MET CE :methyl -155:sc= -1.03 (180deg=-3.54!) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 HIS : no HE2:sc= -4.75! C(o=-4.7!,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 73 6.642 10.550 -7.592 1.00 0.00 N ATOM 84 CA GLU A 73 6.690 9.150 -7.996 1.00 0.00 C ATOM 85 C GLU A 73 5.670 8.324 -7.218 1.00 0.00 C ATOM 86 O GLU A 73 5.082 8.799 -6.246 1.00 0.00 O ATOM 87 CB GLU A 73 8.094 8.582 -7.780 1.00 0.00 C ATOM 88 CG GLU A 73 9.029 8.805 -8.957 1.00 0.00 C ATOM 89 CD GLU A 73 10.489 8.635 -8.584 1.00 0.00 C ATOM 90 OE1 GLU A 73 10.794 7.723 -7.787 1.00 0.00 O ATOM 91 OE2 GLU A 73 11.325 9.414 -9.087 1.00 0.00 O ATOM 0 HA GLU A 73 6.443 9.096 -9.056 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.528 9.038 -6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.018 7.512 -7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.778 8.105 -9.753 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.874 9.808 -9.354 1.00 0.00 H new ATOM 98 N CYS A 74 5.465 7.085 -7.652 1.00 0.00 N ATOM 99 CA CYS A 74 4.516 6.192 -6.998 1.00 0.00 C ATOM 100 C CYS A 74 5.125 5.578 -5.741 1.00 0.00 C ATOM 101 O CYS A 74 6.234 5.045 -5.773 1.00 0.00 O ATOM 102 CB CYS A 74 4.080 5.086 -7.960 1.00 0.00 C ATOM 103 SG CYS A 74 2.910 3.891 -7.237 1.00 0.00 S ATOM 0 H CYS A 74 5.944 6.676 -8.455 1.00 0.00 H new ATOM 0 HA CYS A 74 3.643 6.777 -6.709 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.621 5.542 -8.837 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.964 4.550 -8.305 1.00 0.00 H new ATOM 0 HG CYS A 74 2.255 3.295 -8.189 1.00 0.00 H new ATOM 108 N ARG A 75 4.391 5.656 -4.636 1.00 0.00 N ATOM 109 CA ARG A 75 4.859 5.109 -3.368 1.00 0.00 C ATOM 110 C ARG A 75 4.539 3.620 -3.268 1.00 0.00 C ATOM 111 O ARG A 75 4.380 3.081 -2.172 1.00 0.00 O ATOM 112 CB ARG A 75 4.219 5.858 -2.198 1.00 0.00 C ATOM 113 CG ARG A 75 4.441 7.361 -2.244 1.00 0.00 C ATOM 114 CD ARG A 75 5.880 7.723 -1.910 1.00 0.00 C ATOM 115 NE ARG A 75 6.126 9.157 -2.033 1.00 0.00 N ATOM 116 CZ ARG A 75 7.315 9.676 -2.320 1.00 0.00 C ATOM 117 NH1 ARG A 75 8.359 8.883 -2.514 1.00 0.00 N ATOM 118 NH2 ARG A 75 7.460 10.992 -2.415 1.00 0.00 N ATOM 0 H ARG A 75 3.470 6.093 -4.593 1.00 0.00 H new ATOM 0 HA ARG A 75 5.941 5.235 -3.323 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.148 5.657 -2.191 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.622 5.468 -1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.191 7.736 -3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.769 7.851 -1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.108 7.402 -0.894 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.554 7.181 -2.574 1.00 0.00 H new ATOM 0 HE ARG A 75 5.343 9.795 -1.891 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.251 7.871 -2.443 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.270 9.284 -2.734 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.658 11.605 -2.268 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.373 11.390 -2.635 1.00 0.00 H new ATOM 132 N VAL A 76 4.446 2.961 -4.418 1.00 0.00 N ATOM 133 CA VAL A 76 4.146 1.535 -4.461 1.00 0.00 C ATOM 134 C VAL A 76 5.118 0.796 -5.373 1.00 0.00 C ATOM 135 O VAL A 76 5.619 -0.275 -5.028 1.00 0.00 O ATOM 136 CB VAL A 76 2.707 1.278 -4.946 1.00 0.00 C ATOM 137 CG1 VAL A 76 2.412 -0.214 -4.976 1.00 0.00 C ATOM 138 CG2 VAL A 76 1.709 2.010 -4.062 1.00 0.00 C ATOM 0 H VAL A 76 4.574 3.392 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 76 4.251 1.159 -3.443 1.00 0.00 H new ATOM 0 HB VAL A 76 2.609 1.663 -5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.391 -0.376 -5.321 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.107 -0.709 -5.654 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.526 -0.628 -3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.697 1.818 -4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.805 1.657 -3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.909 3.081 -4.097 1.00 0.00 H new ATOM 148 N CYS A 77 5.382 1.374 -6.540 1.00 0.00 N ATOM 149 CA CYS A 77 6.295 0.772 -7.504 1.00 0.00 C ATOM 150 C CYS A 77 7.504 1.671 -7.744 1.00 0.00 C ATOM 151 O CYS A 77 8.645 1.212 -7.724 1.00 0.00 O ATOM 152 CB CYS A 77 5.571 0.507 -8.826 1.00 0.00 C ATOM 153 SG CYS A 77 4.938 2.008 -9.640 1.00 0.00 S ATOM 0 H CYS A 77 4.976 2.260 -6.841 1.00 0.00 H new ATOM 0 HA CYS A 77 6.645 -0.175 -7.093 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.254 -0.002 -9.506 1.00 0.00 H new ATOM 0 HB3 CYS A 77 4.739 -0.172 -8.642 1.00 0.00 H new ATOM 0 HG CYS A 77 4.130 2.631 -8.834 1.00 0.00 H new ATOM 158 N GLY A 78 7.244 2.955 -7.971 1.00 0.00 N ATOM 159 CA GLY A 78 8.320 3.898 -8.212 1.00 0.00 C ATOM 160 C GLY A 78 8.073 4.760 -9.434 1.00 0.00 C ATOM 161 O GLY A 78 8.411 5.944 -9.446 1.00 0.00 O ATOM 0 H GLY A 78 6.308 3.359 -7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.440 4.538 -7.338 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.255 3.353 -8.339 1.00 0.00 H new ATOM 165 N ASP A 79 7.484 4.166 -10.466 1.00 0.00 N ATOM 166 CA ASP A 79 7.192 4.887 -11.699 1.00 0.00 C ATOM 167 C ASP A 79 6.520 6.224 -11.402 1.00 0.00 C ATOM 168 O ASP A 79 5.876 6.390 -10.366 1.00 0.00 O ATOM 169 CB ASP A 79 6.297 4.044 -12.609 1.00 0.00 C ATOM 170 CG ASP A 79 6.027 4.716 -13.940 1.00 0.00 C ATOM 171 OD1 ASP A 79 6.998 5.160 -14.588 1.00 0.00 O ATOM 172 OD2 ASP A 79 4.845 4.801 -14.334 1.00 0.00 O ATOM 0 H ASP A 79 7.199 3.187 -10.473 1.00 0.00 H new ATOM 0 HA ASP A 79 8.136 5.081 -12.209 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.769 3.077 -12.783 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.350 3.851 -12.104 1.00 0.00 H new ATOM 177 N LYS A 80 6.676 7.175 -12.316 1.00 0.00 N ATOM 178 CA LYS A 80 6.085 8.498 -12.153 1.00 0.00 C ATOM 179 C LYS A 80 4.640 8.393 -11.677 1.00 0.00 C ATOM 180 O LYS A 80 3.829 7.685 -12.274 1.00 0.00 O ATOM 181 CB LYS A 80 6.143 9.271 -13.472 1.00 0.00 C ATOM 182 CG LYS A 80 5.984 10.773 -13.305 1.00 0.00 C ATOM 183 CD LYS A 80 5.323 11.402 -14.519 1.00 0.00 C ATOM 184 CE LYS A 80 3.810 11.445 -14.371 1.00 0.00 C ATOM 185 NZ LYS A 80 3.168 10.203 -14.884 1.00 0.00 N ATOM 0 H LYS A 80 7.207 7.054 -13.178 1.00 0.00 H new ATOM 0 HA LYS A 80 6.660 9.035 -11.399 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.095 9.067 -13.961 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.359 8.903 -14.134 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.387 10.980 -12.417 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.962 11.228 -13.145 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.705 12.413 -14.659 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.586 10.835 -15.412 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.551 11.581 -13.321 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.417 12.307 -14.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.164 10.388 -15.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.645 9.901 -15.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.246 9.451 -14.169 1.00 0.00 H new ATOM 199 N ALA A 81 4.324 9.103 -10.599 1.00 0.00 N ATOM 200 CA ALA A 81 2.975 9.093 -10.045 1.00 0.00 C ATOM 201 C ALA A 81 1.993 9.794 -10.977 1.00 0.00 C ATOM 202 O ALA A 81 2.211 10.937 -11.377 1.00 0.00 O ATOM 203 CB ALA A 81 2.963 9.749 -8.672 1.00 0.00 C ATOM 0 H ALA A 81 4.984 9.693 -10.092 1.00 0.00 H new ATOM 0 HA ALA A 81 2.659 8.055 -9.942 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.950 9.734 -8.271 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.627 9.203 -8.002 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.304 10.781 -8.759 1.00 0.00 H new ATOM 209 N SER A 82 0.912 9.101 -11.320 1.00 0.00 N ATOM 210 CA SER A 82 -0.102 9.657 -12.209 1.00 0.00 C ATOM 211 C SER A 82 -0.961 10.684 -11.479 1.00 0.00 C ATOM 212 O SER A 82 -1.169 11.795 -11.966 1.00 0.00 O ATOM 213 CB SER A 82 -0.986 8.541 -12.769 1.00 0.00 C ATOM 214 OG SER A 82 -0.423 7.985 -13.944 1.00 0.00 O ATOM 0 H SER A 82 0.716 8.154 -10.996 1.00 0.00 H new ATOM 0 HA SER A 82 0.407 10.156 -13.033 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.112 7.761 -12.018 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.978 8.935 -12.989 1.00 0.00 H new ATOM 0 HG SER A 82 -0.681 7.042 -14.016 1.00 0.00 H new ATOM 220 N GLY A 83 -1.458 10.304 -10.306 1.00 0.00 N ATOM 221 CA GLY A 83 -2.290 11.203 -9.526 1.00 0.00 C ATOM 222 C GLY A 83 -2.192 10.937 -8.037 1.00 0.00 C ATOM 223 O GLY A 83 -1.188 10.411 -7.557 1.00 0.00 O ATOM 0 H GLY A 83 -1.300 9.390 -9.882 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.996 12.233 -9.728 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.328 11.100 -9.843 1.00 0.00 H new ATOM 227 N PHE A 84 -3.238 11.302 -7.303 1.00 0.00 N ATOM 228 CA PHE A 84 -3.265 11.103 -5.859 1.00 0.00 C ATOM 229 C PHE A 84 -4.523 10.349 -5.437 1.00 0.00 C ATOM 230 O PHE A 84 -5.570 10.951 -5.196 1.00 0.00 O ATOM 231 CB PHE A 84 -3.198 12.450 -5.135 1.00 0.00 C ATOM 232 CG PHE A 84 -2.767 12.339 -3.701 1.00 0.00 C ATOM 233 CD1 PHE A 84 -1.513 11.846 -3.377 1.00 0.00 C ATOM 234 CD2 PHE A 84 -3.614 12.728 -2.677 1.00 0.00 C ATOM 235 CE1 PHE A 84 -1.114 11.742 -2.058 1.00 0.00 C ATOM 236 CE2 PHE A 84 -3.221 12.627 -1.355 1.00 0.00 C ATOM 237 CZ PHE A 84 -1.968 12.134 -1.046 1.00 0.00 C ATOM 0 H PHE A 84 -4.078 11.737 -7.685 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.395 10.507 -5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.505 13.104 -5.665 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.178 12.924 -5.176 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.840 11.540 -4.164 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.594 13.115 -2.914 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.135 11.354 -1.819 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.892 12.933 -0.566 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.657 12.055 -0.015 1.00 0.00 H new ATOM 247 N HIS A 85 -4.412 9.027 -5.351 1.00 0.00 N ATOM 248 CA HIS A 85 -5.540 8.190 -4.959 1.00 0.00 C ATOM 249 C HIS A 85 -5.306 7.572 -3.584 1.00 0.00 C ATOM 250 O HIS A 85 -4.166 7.430 -3.142 1.00 0.00 O ATOM 251 CB HIS A 85 -5.768 7.087 -5.994 1.00 0.00 C ATOM 252 CG HIS A 85 -5.765 7.582 -7.407 1.00 0.00 C ATOM 253 ND1 HIS A 85 -6.842 8.223 -7.983 1.00 0.00 N ATOM 254 CD2 HIS A 85 -4.806 7.530 -8.361 1.00 0.00 C ATOM 255 CE1 HIS A 85 -6.546 8.541 -9.231 1.00 0.00 C ATOM 256 NE2 HIS A 85 -5.316 8.132 -9.485 1.00 0.00 N ATOM 0 H HIS A 85 -3.553 8.513 -5.547 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.428 8.820 -4.909 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -4.993 6.329 -5.882 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -6.722 6.600 -5.790 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.823 7.096 -8.257 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.199 9.049 -9.925 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -4.825 8.245 -10.372 1.00 0.00 H new ATOM 264 N TYR A 86 -6.392 7.208 -2.912 1.00 0.00 N ATOM 265 CA TYR A 86 -6.305 6.608 -1.585 1.00 0.00 C ATOM 266 C TYR A 86 -5.423 7.448 -0.665 1.00 0.00 C ATOM 267 O TYR A 86 -4.817 6.932 0.272 1.00 0.00 O ATOM 268 CB TYR A 86 -5.753 5.185 -1.681 1.00 0.00 C ATOM 269 CG TYR A 86 -6.362 4.374 -2.802 1.00 0.00 C ATOM 270 CD1 TYR A 86 -5.830 4.416 -4.085 1.00 0.00 C ATOM 271 CD2 TYR A 86 -7.468 3.563 -2.577 1.00 0.00 C ATOM 272 CE1 TYR A 86 -6.384 3.677 -5.112 1.00 0.00 C ATOM 273 CE2 TYR A 86 -8.027 2.819 -3.598 1.00 0.00 C ATOM 274 CZ TYR A 86 -7.482 2.880 -4.864 1.00 0.00 C ATOM 275 OH TYR A 86 -8.035 2.140 -5.884 1.00 0.00 O ATOM 0 H TYR A 86 -7.343 7.318 -3.264 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.309 6.572 -1.163 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.673 5.232 -1.823 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.928 4.672 -0.736 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.969 5.037 -4.282 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -7.898 3.514 -1.587 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.960 3.723 -6.104 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -8.886 2.193 -3.406 1.00 0.00 H new ATOM 0 HH TYR A 86 -9.012 2.176 -5.822 1.00 0.00 H new ATOM 285 N GLY A 87 -5.359 8.747 -0.941 1.00 0.00 N ATOM 286 CA GLY A 87 -4.550 9.638 -0.130 1.00 0.00 C ATOM 287 C GLY A 87 -3.084 9.252 -0.131 1.00 0.00 C ATOM 288 O GLY A 87 -2.358 9.544 0.819 1.00 0.00 O ATOM 0 H GLY A 87 -5.853 9.198 -1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.654 10.657 -0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.923 9.632 0.894 1.00 0.00 H new ATOM 292 N VAL A 88 -2.648 8.593 -1.199 1.00 0.00 N ATOM 293 CA VAL A 88 -1.259 8.166 -1.319 1.00 0.00 C ATOM 294 C VAL A 88 -0.763 8.304 -2.754 1.00 0.00 C ATOM 295 O VAL A 88 -1.353 7.750 -3.682 1.00 0.00 O ATOM 296 CB VAL A 88 -1.080 6.705 -0.865 1.00 0.00 C ATOM 297 CG1 VAL A 88 -1.691 5.751 -1.880 1.00 0.00 C ATOM 298 CG2 VAL A 88 0.393 6.392 -0.646 1.00 0.00 C ATOM 0 H VAL A 88 -3.236 8.343 -1.994 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.671 8.816 -0.670 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.601 6.571 0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.555 4.724 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.756 5.961 -1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.201 5.883 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.501 5.356 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.939 6.543 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.795 7.053 0.122 1.00 0.00 H new ATOM 308 N HIS A 89 0.325 9.047 -2.929 1.00 0.00 N ATOM 309 CA HIS A 89 0.901 9.259 -4.252 1.00 0.00 C ATOM 310 C HIS A 89 1.146 7.928 -4.957 1.00 0.00 C ATOM 311 O HIS A 89 2.217 7.335 -4.831 1.00 0.00 O ATOM 312 CB HIS A 89 2.212 10.039 -4.142 1.00 0.00 C ATOM 313 CG HIS A 89 2.031 11.525 -4.202 1.00 0.00 C ATOM 314 ND1 HIS A 89 1.840 12.305 -3.082 1.00 0.00 N ATOM 315 CD2 HIS A 89 2.013 12.373 -5.257 1.00 0.00 C ATOM 316 CE1 HIS A 89 1.712 13.569 -3.445 1.00 0.00 C ATOM 317 NE2 HIS A 89 1.814 13.637 -4.760 1.00 0.00 N ATOM 0 H HIS A 89 0.825 9.512 -2.172 1.00 0.00 H new ATOM 0 HA HIS A 89 0.191 9.838 -4.842 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.703 9.778 -3.204 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.878 9.729 -4.947 1.00 0.00 H new ATOM 0 HD2 HIS A 89 2.133 12.105 -6.296 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.551 14.404 -2.780 1.00 0.00 H new ATOM 0 HE2 HIS A 89 1.755 14.490 -5.316 1.00 0.00 H new ATOM 325 N ALA A 90 0.145 7.463 -5.698 1.00 0.00 N ATOM 326 CA ALA A 90 0.252 6.203 -6.423 1.00 0.00 C ATOM 327 C ALA A 90 0.062 6.414 -7.921 1.00 0.00 C ATOM 328 O ALA A 90 -0.347 7.490 -8.360 1.00 0.00 O ATOM 329 CB ALA A 90 -0.765 5.202 -5.896 1.00 0.00 C ATOM 0 H ALA A 90 -0.749 7.940 -5.812 1.00 0.00 H new ATOM 0 HA ALA A 90 1.254 5.804 -6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.673 4.266 -6.447 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.581 5.020 -4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.770 5.602 -6.026 1.00 0.00 H new ATOM 335 N CYS A 91 0.360 5.382 -8.703 1.00 0.00 N ATOM 336 CA CYS A 91 0.223 5.454 -10.152 1.00 0.00 C ATOM 337 C CYS A 91 -1.004 4.677 -10.621 1.00 0.00 C ATOM 338 O CYS A 91 -1.645 3.977 -9.838 1.00 0.00 O ATOM 339 CB CYS A 91 1.479 4.905 -10.832 1.00 0.00 C ATOM 340 SG CYS A 91 1.631 3.091 -10.760 1.00 0.00 S ATOM 0 H CYS A 91 0.699 4.484 -8.356 1.00 0.00 H new ATOM 0 HA CYS A 91 0.096 6.501 -10.429 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.480 5.218 -11.876 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.357 5.351 -10.365 1.00 0.00 H new ATOM 0 HG CYS A 91 2.825 2.771 -10.358 1.00 0.00 H new ATOM 345 N GLU A 92 -1.323 4.805 -11.906 1.00 0.00 N ATOM 346 CA GLU A 92 -2.473 4.115 -12.479 1.00 0.00 C ATOM 347 C GLU A 92 -2.336 2.604 -12.319 1.00 0.00 C ATOM 348 O GLU A 92 -3.227 1.941 -11.790 1.00 0.00 O ATOM 349 CB GLU A 92 -2.623 4.471 -13.959 1.00 0.00 C ATOM 350 CG GLU A 92 -3.432 5.734 -14.202 1.00 0.00 C ATOM 351 CD GLU A 92 -3.752 5.949 -15.669 1.00 0.00 C ATOM 352 OE1 GLU A 92 -2.805 6.010 -16.481 1.00 0.00 O ATOM 353 OE2 GLU A 92 -4.950 6.055 -16.005 1.00 0.00 O ATOM 0 H GLU A 92 -0.802 5.379 -12.569 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.364 4.440 -11.942 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.632 4.594 -14.397 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.099 3.639 -14.478 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.362 5.680 -13.635 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.878 6.594 -13.825 1.00 0.00 H new ATOM 360 N GLY A 93 -1.212 2.065 -12.782 1.00 0.00 N ATOM 361 CA GLY A 93 -0.978 0.637 -12.682 1.00 0.00 C ATOM 362 C GLY A 93 -1.364 0.079 -11.326 1.00 0.00 C ATOM 363 O GLY A 93 -2.268 -0.750 -11.222 1.00 0.00 O ATOM 0 H GLY A 93 -0.459 2.592 -13.225 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.546 0.124 -13.458 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.076 0.431 -12.870 1.00 0.00 H new ATOM 367 N CYS A 94 -0.676 0.533 -10.284 1.00 0.00 N ATOM 368 CA CYS A 94 -0.950 0.074 -8.928 1.00 0.00 C ATOM 369 C CYS A 94 -2.402 0.345 -8.544 1.00 0.00 C ATOM 370 O CYS A 94 -3.126 -0.559 -8.128 1.00 0.00 O ATOM 371 CB CYS A 94 -0.011 0.761 -7.934 1.00 0.00 C ATOM 372 SG CYS A 94 1.754 0.407 -8.213 1.00 0.00 S ATOM 0 H CYS A 94 0.076 1.219 -10.353 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.779 -1.002 -8.895 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -0.167 1.838 -7.988 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.278 0.450 -6.924 1.00 0.00 H new ATOM 0 HG CYS A 94 2.208 1.181 -9.154 1.00 0.00 H new ATOM 377 N LYS A 95 -2.821 1.598 -8.687 1.00 0.00 N ATOM 378 CA LYS A 95 -4.186 1.991 -8.357 1.00 0.00 C ATOM 379 C LYS A 95 -5.171 0.878 -8.703 1.00 0.00 C ATOM 380 O LYS A 95 -5.898 0.389 -7.840 1.00 0.00 O ATOM 381 CB LYS A 95 -4.564 3.272 -9.104 1.00 0.00 C ATOM 382 CG LYS A 95 -5.742 4.009 -8.489 1.00 0.00 C ATOM 383 CD LYS A 95 -6.533 4.770 -9.540 1.00 0.00 C ATOM 384 CE LYS A 95 -7.591 3.889 -10.186 1.00 0.00 C ATOM 385 NZ LYS A 95 -7.064 3.174 -11.381 1.00 0.00 N ATOM 0 H LYS A 95 -2.234 2.359 -9.029 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.236 2.175 -7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.701 3.938 -9.127 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.802 3.023 -10.138 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.395 3.297 -7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.382 4.703 -7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.010 5.637 -9.082 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.855 5.147 -10.305 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.952 3.162 -9.458 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -8.445 4.501 -10.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.840 3.001 -12.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.333 3.755 -11.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.650 2.266 -11.088 1.00 0.00 H new ATOM 399 N GLY A 96 -5.188 0.483 -9.973 1.00 0.00 N ATOM 400 CA GLY A 96 -6.087 -0.570 -10.409 1.00 0.00 C ATOM 401 C GLY A 96 -5.889 -1.858 -9.636 1.00 0.00 C ATOM 402 O GLY A 96 -6.857 -2.519 -9.259 1.00 0.00 O ATOM 0 H GLY A 96 -4.596 0.873 -10.707 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.118 -0.235 -10.293 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.931 -0.760 -11.471 1.00 0.00 H new ATOM 406 N PHE A 97 -4.632 -2.218 -9.400 1.00 0.00 N ATOM 407 CA PHE A 97 -4.310 -3.438 -8.669 1.00 0.00 C ATOM 408 C PHE A 97 -4.982 -3.445 -7.299 1.00 0.00 C ATOM 409 O PHE A 97 -5.740 -4.358 -6.971 1.00 0.00 O ATOM 410 CB PHE A 97 -2.795 -3.576 -8.507 1.00 0.00 C ATOM 411 CG PHE A 97 -2.389 -4.716 -7.617 1.00 0.00 C ATOM 412 CD1 PHE A 97 -2.267 -4.536 -6.249 1.00 0.00 C ATOM 413 CD2 PHE A 97 -2.128 -5.969 -8.150 1.00 0.00 C ATOM 414 CE1 PHE A 97 -1.894 -5.583 -5.428 1.00 0.00 C ATOM 415 CE2 PHE A 97 -1.755 -7.020 -7.333 1.00 0.00 C ATOM 416 CZ PHE A 97 -1.636 -6.826 -5.971 1.00 0.00 C ATOM 0 H PHE A 97 -3.819 -1.682 -9.704 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.686 -4.285 -9.243 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.344 -3.714 -9.489 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.395 -2.647 -8.100 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.466 -3.566 -5.819 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.217 -6.126 -9.215 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.804 -5.429 -4.363 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.557 -7.992 -7.760 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.342 -7.645 -5.332 1.00 0.00 H new ATOM 426 N PHE A 98 -4.698 -2.419 -6.503 1.00 0.00 N ATOM 427 CA PHE A 98 -5.274 -2.306 -5.167 1.00 0.00 C ATOM 428 C PHE A 98 -6.786 -2.503 -5.208 1.00 0.00 C ATOM 429 O PHE A 98 -7.320 -3.429 -4.598 1.00 0.00 O ATOM 430 CB PHE A 98 -4.941 -0.942 -4.559 1.00 0.00 C ATOM 431 CG PHE A 98 -5.530 -0.735 -3.193 1.00 0.00 C ATOM 432 CD1 PHE A 98 -5.069 -1.464 -2.108 1.00 0.00 C ATOM 433 CD2 PHE A 98 -6.544 0.187 -2.994 1.00 0.00 C ATOM 434 CE1 PHE A 98 -5.608 -1.276 -0.850 1.00 0.00 C ATOM 435 CE2 PHE A 98 -7.087 0.380 -1.738 1.00 0.00 C ATOM 436 CZ PHE A 98 -6.619 -0.353 -0.664 1.00 0.00 C ATOM 0 H PHE A 98 -4.073 -1.655 -6.759 1.00 0.00 H new ATOM 0 HA PHE A 98 -4.841 -3.089 -4.544 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.858 -0.834 -4.499 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -5.303 -0.158 -5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -4.279 -2.187 -2.248 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.915 0.762 -3.830 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -5.239 -1.850 -0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.876 1.103 -1.596 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.043 -0.205 0.318 1.00 0.00 H new ATOM 446 N ARG A 99 -7.471 -1.624 -5.932 1.00 0.00 N ATOM 447 CA ARG A 99 -8.923 -1.698 -6.052 1.00 0.00 C ATOM 448 C ARG A 99 -9.360 -3.087 -6.508 1.00 0.00 C ATOM 449 O ARG A 99 -10.230 -3.707 -5.896 1.00 0.00 O ATOM 450 CB ARG A 99 -9.429 -0.644 -7.037 1.00 0.00 C ATOM 451 CG ARG A 99 -10.944 -0.590 -7.147 1.00 0.00 C ATOM 452 CD ARG A 99 -11.420 0.767 -7.641 1.00 0.00 C ATOM 453 NE ARG A 99 -11.424 0.848 -9.099 1.00 0.00 N ATOM 454 CZ ARG A 99 -11.246 1.980 -9.772 1.00 0.00 C ATOM 455 NH1 ARG A 99 -11.050 3.118 -9.122 1.00 0.00 N ATOM 456 NH2 ARG A 99 -11.262 1.973 -11.099 1.00 0.00 N ATOM 0 H ARG A 99 -7.044 -0.852 -6.444 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.354 -1.504 -5.070 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.060 0.335 -6.730 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.009 -0.848 -8.022 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.288 -1.368 -7.829 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.388 -0.800 -6.174 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.425 0.958 -7.265 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.775 1.547 -7.236 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.571 -0.011 -9.630 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.035 3.127 -8.102 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.914 3.985 -9.642 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.411 1.099 -11.603 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.125 2.842 -11.615 1.00 0.00 H new ATOM 470 N ARG A 100 -8.750 -3.570 -7.586 1.00 0.00 N ATOM 471 CA ARG A 100 -9.078 -4.884 -8.125 1.00 0.00 C ATOM 472 C ARG A 100 -9.041 -5.946 -7.029 1.00 0.00 C ATOM 473 O ARG A 100 -9.911 -6.814 -6.960 1.00 0.00 O ATOM 474 CB ARG A 100 -8.104 -5.257 -9.244 1.00 0.00 C ATOM 475 CG ARG A 100 -8.240 -6.695 -9.716 1.00 0.00 C ATOM 476 CD ARG A 100 -7.821 -6.847 -11.170 1.00 0.00 C ATOM 477 NE ARG A 100 -6.370 -6.796 -11.329 1.00 0.00 N ATOM 478 CZ ARG A 100 -5.765 -6.543 -12.484 1.00 0.00 C ATOM 479 NH1 ARG A 100 -6.483 -6.318 -13.576 1.00 0.00 N ATOM 480 NH2 ARG A 100 -4.440 -6.514 -12.548 1.00 0.00 N ATOM 0 H ARG A 100 -8.026 -3.071 -8.103 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.089 -4.841 -8.531 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.264 -4.589 -10.091 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.084 -5.093 -8.896 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.627 -7.344 -9.090 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.273 -7.021 -9.598 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.195 -7.794 -11.558 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.279 -6.056 -11.764 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.789 -6.964 -10.508 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.502 -6.339 -13.530 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.017 -6.124 -14.462 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.885 -6.686 -11.710 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.976 -6.320 -13.436 1.00 0.00 H new ATOM 494 N THR A 101 -8.025 -5.870 -6.174 1.00 0.00 N ATOM 495 CA THR A 101 -7.873 -6.825 -5.083 1.00 0.00 C ATOM 496 C THR A 101 -9.020 -6.707 -4.085 1.00 0.00 C ATOM 497 O THR A 101 -9.460 -7.703 -3.511 1.00 0.00 O ATOM 498 CB THR A 101 -6.539 -6.621 -4.341 1.00 0.00 C ATOM 499 OG1 THR A 101 -5.446 -6.723 -5.260 1.00 0.00 O ATOM 500 CG2 THR A 101 -6.373 -7.650 -3.233 1.00 0.00 C ATOM 0 H THR A 101 -7.296 -5.158 -6.216 1.00 0.00 H new ATOM 0 HA THR A 101 -7.884 -7.820 -5.529 1.00 0.00 H new ATOM 0 HB THR A 101 -6.546 -5.627 -3.894 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.467 -5.964 -5.879 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.424 -7.486 -2.723 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.190 -7.551 -2.519 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.386 -8.652 -3.662 1.00 0.00 H new ATOM 508 N ILE A 102 -9.500 -5.484 -3.885 1.00 0.00 N ATOM 509 CA ILE A 102 -10.597 -5.238 -2.957 1.00 0.00 C ATOM 510 C ILE A 102 -11.927 -5.698 -3.545 1.00 0.00 C ATOM 511 O ILE A 102 -12.547 -6.636 -3.043 1.00 0.00 O ATOM 512 CB ILE A 102 -10.700 -3.746 -2.590 1.00 0.00 C ATOM 513 CG1 ILE A 102 -9.371 -3.246 -2.020 1.00 0.00 C ATOM 514 CG2 ILE A 102 -11.827 -3.522 -1.594 1.00 0.00 C ATOM 515 CD1 ILE A 102 -9.034 -3.834 -0.668 1.00 0.00 C ATOM 0 H ILE A 102 -9.147 -4.649 -4.353 1.00 0.00 H new ATOM 0 HA ILE A 102 -10.383 -5.812 -2.055 1.00 0.00 H new ATOM 0 HB ILE A 102 -10.923 -3.179 -3.494 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.571 -3.486 -2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.407 -2.160 -1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -11.887 -2.463 -1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -12.771 -3.845 -2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -11.632 -4.097 -0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -8.079 -3.435 -0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -9.814 -3.573 0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -8.966 -4.919 -0.750 1.00 0.00 H new ATOM 527 N ARG A 103 -12.359 -5.032 -4.611 1.00 0.00 N ATOM 528 CA ARG A 103 -13.615 -5.373 -5.267 1.00 0.00 C ATOM 529 C ARG A 103 -13.795 -6.887 -5.344 1.00 0.00 C ATOM 530 O ARG A 103 -14.902 -7.399 -5.182 1.00 0.00 O ATOM 531 CB ARG A 103 -13.660 -4.772 -6.673 1.00 0.00 C ATOM 532 CG ARG A 103 -12.492 -5.189 -7.552 1.00 0.00 C ATOM 533 CD ARG A 103 -12.836 -5.072 -9.029 1.00 0.00 C ATOM 534 NE ARG A 103 -12.638 -3.715 -9.531 1.00 0.00 N ATOM 535 CZ ARG A 103 -13.574 -2.774 -9.493 1.00 0.00 C ATOM 536 NH1 ARG A 103 -14.767 -3.040 -8.979 1.00 0.00 N ATOM 537 NH2 ARG A 103 -13.318 -1.562 -9.971 1.00 0.00 N ATOM 0 H ARG A 103 -11.858 -4.253 -5.038 1.00 0.00 H new ATOM 0 HA ARG A 103 -14.430 -4.957 -4.675 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.591 -5.069 -7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.674 -3.685 -6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.626 -4.565 -7.329 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -12.212 -6.217 -7.323 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.218 -5.764 -9.601 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -13.873 -5.368 -9.184 1.00 0.00 H new ATOM 0 HE ARG A 103 -11.731 -3.477 -9.933 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -14.968 -3.970 -8.611 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -15.484 -2.315 -8.951 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -12.402 -1.353 -10.368 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -14.038 -0.840 -9.941 1.00 0.00 H new ATOM 551 N MET A 104 -12.699 -7.596 -5.593 1.00 0.00 N ATOM 552 CA MET A 104 -12.736 -9.050 -5.691 1.00 0.00 C ATOM 553 C MET A 104 -12.454 -9.694 -4.337 1.00 0.00 C ATOM 554 O MET A 104 -12.806 -10.850 -4.102 1.00 0.00 O ATOM 555 CB MET A 104 -11.719 -9.540 -6.723 1.00 0.00 C ATOM 556 CG MET A 104 -11.900 -8.917 -8.098 1.00 0.00 C ATOM 557 SD MET A 104 -11.496 -10.056 -9.436 1.00 0.00 S ATOM 558 CE MET A 104 -10.005 -10.814 -8.796 1.00 0.00 C ATOM 0 H MET A 104 -11.775 -7.187 -5.731 1.00 0.00 H new ATOM 0 HA MET A 104 -13.736 -9.341 -6.011 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.714 -9.320 -6.363 1.00 0.00 H new ATOM 0 HB3 MET A 104 -11.796 -10.624 -6.811 1.00 0.00 H new ATOM 0 HG2 MET A 104 -12.932 -8.584 -8.209 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.269 -8.032 -8.177 1.00 0.00 H new ATOM 0 HE1 MET A 104 -9.174 -10.609 -9.471 1.00 0.00 H new ATOM 0 HE2 MET A 104 -9.782 -10.404 -7.811 1.00 0.00 H new ATOM 0 HE3 MET A 104 -10.150 -11.891 -8.716 1.00 0.00 H new ATOM 568 N LYS A 105 -11.817 -8.938 -3.449 1.00 0.00 N ATOM 569 CA LYS A 105 -11.488 -9.433 -2.118 1.00 0.00 C ATOM 570 C LYS A 105 -10.544 -10.629 -2.200 1.00 0.00 C ATOM 571 O LYS A 105 -10.769 -11.655 -1.557 1.00 0.00 O ATOM 572 CB LYS A 105 -12.763 -9.826 -1.368 1.00 0.00 C ATOM 573 CG LYS A 105 -13.601 -8.639 -0.929 1.00 0.00 C ATOM 574 CD LYS A 105 -12.943 -7.882 0.212 1.00 0.00 C ATOM 575 CE LYS A 105 -13.247 -8.524 1.556 1.00 0.00 C ATOM 576 NZ LYS A 105 -14.635 -8.229 2.010 1.00 0.00 N ATOM 0 H LYS A 105 -11.518 -7.979 -3.628 1.00 0.00 H new ATOM 0 HA LYS A 105 -10.986 -8.633 -1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.367 -10.470 -2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.492 -10.413 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.751 -7.967 -1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.587 -8.984 -0.617 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -11.864 -7.854 0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.292 -6.849 0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.110 -9.603 1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.537 -8.163 2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.755 -8.552 2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.807 -7.205 1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.313 -8.725 1.397 1.00 0.00 H new ATOM 590 N LEU A 106 -9.488 -10.489 -2.993 1.00 0.00 N ATOM 591 CA LEU A 106 -8.508 -11.558 -3.158 1.00 0.00 C ATOM 592 C LEU A 106 -7.601 -11.658 -1.936 1.00 0.00 C ATOM 593 O LEU A 106 -7.288 -10.652 -1.300 1.00 0.00 O ATOM 594 CB LEU A 106 -7.668 -11.317 -4.413 1.00 0.00 C ATOM 595 CG LEU A 106 -8.447 -11.097 -5.710 1.00 0.00 C ATOM 596 CD1 LEU A 106 -7.578 -10.394 -6.742 1.00 0.00 C ATOM 597 CD2 LEU A 106 -8.959 -12.422 -6.256 1.00 0.00 C ATOM 0 H LEU A 106 -9.288 -9.646 -3.532 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.047 -12.499 -3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.035 -10.446 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.005 -12.171 -4.551 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.305 -10.460 -5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.149 -10.246 -7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.260 -9.427 -6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.701 -11.005 -6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.511 -12.246 -7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.116 -13.083 -6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -9.617 -12.888 -5.523 1.00 0.00 H new ATOM 609 N GLU A 107 -7.181 -12.878 -1.615 1.00 0.00 N ATOM 610 CA GLU A 107 -6.308 -13.108 -0.470 1.00 0.00 C ATOM 611 C GLU A 107 -4.996 -13.753 -0.907 1.00 0.00 C ATOM 612 O GLU A 107 -4.953 -14.494 -1.890 1.00 0.00 O ATOM 613 CB GLU A 107 -7.006 -13.996 0.562 1.00 0.00 C ATOM 614 CG GLU A 107 -7.062 -15.462 0.165 1.00 0.00 C ATOM 615 CD GLU A 107 -8.293 -15.799 -0.653 1.00 0.00 C ATOM 616 OE1 GLU A 107 -8.243 -15.649 -1.892 1.00 0.00 O ATOM 617 OE2 GLU A 107 -9.308 -16.212 -0.054 1.00 0.00 O ATOM 0 H GLU A 107 -7.431 -13.721 -2.131 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.085 -12.142 -0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.487 -13.906 1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.021 -13.631 0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.170 -15.713 -0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.048 -16.079 1.064 1.00 0.00 H new ATOM 624 N TYR A 108 -3.928 -13.466 -0.171 1.00 0.00 N ATOM 625 CA TYR A 108 -2.614 -14.015 -0.483 1.00 0.00 C ATOM 626 C TYR A 108 -1.899 -14.471 0.784 1.00 0.00 C ATOM 627 O TYR A 108 -2.211 -14.016 1.884 1.00 0.00 O ATOM 628 CB TYR A 108 -1.764 -12.974 -1.215 1.00 0.00 C ATOM 629 CG TYR A 108 -2.478 -12.317 -2.375 1.00 0.00 C ATOM 630 CD1 TYR A 108 -3.085 -13.079 -3.365 1.00 0.00 C ATOM 631 CD2 TYR A 108 -2.545 -10.933 -2.480 1.00 0.00 C ATOM 632 CE1 TYR A 108 -3.738 -12.483 -4.426 1.00 0.00 C ATOM 633 CE2 TYR A 108 -3.197 -10.328 -3.537 1.00 0.00 C ATOM 634 CZ TYR A 108 -3.791 -11.107 -4.508 1.00 0.00 C ATOM 635 OH TYR A 108 -4.441 -10.509 -5.563 1.00 0.00 O ATOM 0 H TYR A 108 -3.947 -12.856 0.646 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.755 -14.881 -1.130 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.456 -12.205 -0.506 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.856 -13.452 -1.582 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.046 -14.157 -3.304 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.079 -10.320 -1.722 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -4.205 -13.091 -5.187 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.241 -9.251 -3.603 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.387 -9.535 -5.471 1.00 0.00 H new ATOM 645 N GLU A 109 -0.936 -15.374 0.621 1.00 0.00 N ATOM 646 CA GLU A 109 -0.176 -15.893 1.752 1.00 0.00 C ATOM 647 C GLU A 109 0.744 -14.819 2.327 1.00 0.00 C ATOM 648 O GLU A 109 0.950 -13.770 1.718 1.00 0.00 O ATOM 649 CB GLU A 109 0.646 -17.111 1.327 1.00 0.00 C ATOM 650 CG GLU A 109 0.865 -18.117 2.444 1.00 0.00 C ATOM 651 CD GLU A 109 1.412 -19.438 1.940 1.00 0.00 C ATOM 652 OE1 GLU A 109 2.637 -19.524 1.711 1.00 0.00 O ATOM 653 OE2 GLU A 109 0.616 -20.386 1.773 1.00 0.00 O ATOM 0 H GLU A 109 -0.664 -15.761 -0.283 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.883 -16.194 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.143 -17.607 0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 109 1.615 -16.774 0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.556 -17.697 3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.079 -18.292 2.960 1.00 0.00 H new ATOM 660 N LYS A 110 1.293 -15.090 3.506 1.00 0.00 N ATOM 661 CA LYS A 110 2.192 -14.150 4.166 1.00 0.00 C ATOM 662 C LYS A 110 3.612 -14.283 3.624 1.00 0.00 C ATOM 663 O LYS A 110 4.280 -15.293 3.847 1.00 0.00 O ATOM 664 CB LYS A 110 2.187 -14.384 5.678 1.00 0.00 C ATOM 665 CG LYS A 110 3.133 -13.470 6.438 1.00 0.00 C ATOM 666 CD LYS A 110 2.504 -12.112 6.701 1.00 0.00 C ATOM 667 CE LYS A 110 1.582 -12.149 7.910 1.00 0.00 C ATOM 668 NZ LYS A 110 0.928 -10.833 8.150 1.00 0.00 N ATOM 0 H LYS A 110 1.131 -15.953 4.025 1.00 0.00 H new ATOM 0 HA LYS A 110 1.837 -13.140 3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.175 -14.241 6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 110 2.458 -15.421 5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.407 -13.935 7.385 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.053 -13.342 5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.288 -11.372 6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 110 1.942 -11.794 5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.818 -12.912 7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 110 2.152 -12.437 8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.081 -10.968 8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.592 -10.200 8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.654 -10.411 7.240 1.00 0.00 H new ATOM 682 N CYS A 111 4.067 -13.257 2.913 1.00 0.00 N ATOM 683 CA CYS A 111 5.408 -13.259 2.341 1.00 0.00 C ATOM 684 C CYS A 111 6.382 -12.497 3.235 1.00 0.00 C ATOM 685 O CYS A 111 6.525 -11.280 3.118 1.00 0.00 O ATOM 686 CB CYS A 111 5.389 -12.638 0.943 1.00 0.00 C ATOM 687 SG CYS A 111 6.934 -12.868 0.005 1.00 0.00 S ATOM 0 H CYS A 111 3.527 -12.414 2.719 1.00 0.00 H new ATOM 0 HA CYS A 111 5.743 -14.294 2.268 1.00 0.00 H new ATOM 0 HB2 CYS A 111 4.565 -13.071 0.376 1.00 0.00 H new ATOM 0 HB3 CYS A 111 5.187 -11.571 1.034 1.00 0.00 H new ATOM 0 HG CYS A 111 7.184 -11.797 -0.688 1.00 0.00 H new ATOM 692 N GLU A 112 7.050 -13.222 4.126 1.00 0.00 N ATOM 693 CA GLU A 112 8.010 -12.614 5.040 1.00 0.00 C ATOM 694 C GLU A 112 9.160 -11.971 4.272 1.00 0.00 C ATOM 695 O GLU A 112 9.651 -10.905 4.645 1.00 0.00 O ATOM 696 CB GLU A 112 8.555 -13.662 6.013 1.00 0.00 C ATOM 697 CG GLU A 112 7.518 -14.175 6.998 1.00 0.00 C ATOM 698 CD GLU A 112 7.038 -13.100 7.954 1.00 0.00 C ATOM 699 OE1 GLU A 112 7.891 -12.383 8.518 1.00 0.00 O ATOM 700 OE2 GLU A 112 5.809 -12.976 8.137 1.00 0.00 O ATOM 0 H GLU A 112 6.944 -14.231 4.235 1.00 0.00 H new ATOM 0 HA GLU A 112 7.494 -11.837 5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.951 -14.503 5.444 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.389 -13.232 6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.666 -14.573 6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 112 7.942 -15.001 7.569 1.00 0.00 H new ATOM 707 N ARG A 113 9.585 -12.626 3.196 1.00 0.00 N ATOM 708 CA ARG A 113 10.678 -12.119 2.375 1.00 0.00 C ATOM 709 C ARG A 113 10.597 -10.602 2.238 1.00 0.00 C ATOM 710 O ARG A 113 11.619 -9.918 2.176 1.00 0.00 O ATOM 711 CB ARG A 113 10.649 -12.769 0.991 1.00 0.00 C ATOM 712 CG ARG A 113 11.239 -14.170 0.963 1.00 0.00 C ATOM 713 CD ARG A 113 11.866 -14.483 -0.386 1.00 0.00 C ATOM 714 NE ARG A 113 12.615 -15.737 -0.364 1.00 0.00 N ATOM 715 CZ ARG A 113 12.059 -16.928 -0.556 1.00 0.00 C ATOM 716 NH1 ARG A 113 10.757 -17.027 -0.785 1.00 0.00 N ATOM 717 NH2 ARG A 113 12.807 -18.024 -0.521 1.00 0.00 N ATOM 0 H ARG A 113 9.189 -13.509 2.873 1.00 0.00 H new ATOM 0 HA ARG A 113 11.617 -12.372 2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 113 9.618 -12.811 0.640 1.00 0.00 H new ATOM 0 HB3 ARG A 113 11.198 -12.139 0.291 1.00 0.00 H new ATOM 0 HG2 ARG A 113 11.991 -14.265 1.746 1.00 0.00 H new ATOM 0 HG3 ARG A 113 10.459 -14.899 1.181 1.00 0.00 H new ATOM 0 HD2 ARG A 113 11.085 -14.541 -1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 113 12.531 -13.669 -0.674 1.00 0.00 H new ATOM 0 HE ARG A 113 13.620 -15.696 -0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 113 10.179 -16.187 -0.814 1.00 0.00 H new ATOM 0 HH12 ARG A 113 10.333 -17.943 -0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 113 13.809 -17.952 -0.347 1.00 0.00 H new ATOM 0 HH22 ARG A 113 12.379 -18.938 -0.668 1.00 0.00 H new ATOM 731 N SER A 114 9.375 -10.081 2.191 1.00 0.00 N ATOM 732 CA SER A 114 9.160 -8.645 2.056 1.00 0.00 C ATOM 733 C SER A 114 9.748 -8.128 0.747 1.00 0.00 C ATOM 734 O SER A 114 10.426 -7.101 0.720 1.00 0.00 O ATOM 735 CB SER A 114 9.785 -7.902 3.238 1.00 0.00 C ATOM 736 OG SER A 114 9.028 -8.095 4.420 1.00 0.00 O ATOM 0 H SER A 114 8.518 -10.632 2.244 1.00 0.00 H new ATOM 0 HA SER A 114 8.085 -8.462 2.048 1.00 0.00 H new ATOM 0 HB2 SER A 114 10.805 -8.254 3.394 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.846 -6.838 3.011 1.00 0.00 H new ATOM 0 HG SER A 114 9.106 -9.028 4.709 1.00 0.00 H new ATOM 742 N CYS A 115 9.484 -8.848 -0.338 1.00 0.00 N ATOM 743 CA CYS A 115 9.986 -8.464 -1.652 1.00 0.00 C ATOM 744 C CYS A 115 9.910 -6.952 -1.843 1.00 0.00 C ATOM 745 O CYS A 115 9.002 -6.295 -1.333 1.00 0.00 O ATOM 746 CB CYS A 115 9.189 -9.169 -2.751 1.00 0.00 C ATOM 747 SG CYS A 115 8.866 -10.932 -2.422 1.00 0.00 S ATOM 0 H CYS A 115 8.925 -9.701 -0.333 1.00 0.00 H new ATOM 0 HA CYS A 115 11.031 -8.768 -1.718 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.237 -8.654 -2.881 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.731 -9.080 -3.692 1.00 0.00 H new ATOM 0 HG CYS A 115 7.592 -11.166 -2.526 1.00 0.00 H new ATOM 752 N LYS A 116 10.869 -6.406 -2.583 1.00 0.00 N ATOM 753 CA LYS A 116 10.912 -4.973 -2.844 1.00 0.00 C ATOM 754 C LYS A 116 10.259 -4.644 -4.183 1.00 0.00 C ATOM 755 O LYS A 116 10.868 -4.814 -5.239 1.00 0.00 O ATOM 756 CB LYS A 116 12.359 -4.474 -2.835 1.00 0.00 C ATOM 757 CG LYS A 116 12.489 -2.990 -2.538 1.00 0.00 C ATOM 758 CD LYS A 116 13.892 -2.636 -2.072 1.00 0.00 C ATOM 759 CE LYS A 116 13.998 -1.167 -1.693 1.00 0.00 C ATOM 760 NZ LYS A 116 15.331 -0.838 -1.116 1.00 0.00 N ATOM 0 H LYS A 116 11.628 -6.935 -3.013 1.00 0.00 H new ATOM 0 HA LYS A 116 10.355 -4.469 -2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.924 -5.036 -2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 116 12.813 -4.683 -3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 116 12.246 -2.416 -3.432 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.768 -2.707 -1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.159 -3.254 -1.215 1.00 0.00 H new ATOM 0 HD3 LYS A 116 14.607 -2.862 -2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 116 13.822 -0.551 -2.575 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.219 -0.921 -0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 15.363 0.172 -0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 15.489 -1.407 -0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 16.073 -1.049 -1.814 1.00 0.00 H new ATOM 774 N ILE A 117 9.018 -4.172 -4.131 1.00 0.00 N ATOM 775 CA ILE A 117 8.285 -3.817 -5.339 1.00 0.00 C ATOM 776 C ILE A 117 8.964 -2.669 -6.078 1.00 0.00 C ATOM 777 O ILE A 117 8.777 -1.501 -5.736 1.00 0.00 O ATOM 778 CB ILE A 117 6.832 -3.418 -5.020 1.00 0.00 C ATOM 779 CG1 ILE A 117 6.155 -4.504 -4.180 1.00 0.00 C ATOM 780 CG2 ILE A 117 6.055 -3.173 -6.305 1.00 0.00 C ATOM 781 CD1 ILE A 117 6.004 -5.822 -4.906 1.00 0.00 C ATOM 0 H ILE A 117 8.499 -4.027 -3.265 1.00 0.00 H new ATOM 0 HA ILE A 117 8.279 -4.702 -5.975 1.00 0.00 H new ATOM 0 HB ILE A 117 6.843 -2.493 -4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 117 6.735 -4.663 -3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 117 5.170 -4.153 -3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.030 -2.892 -6.063 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.528 -2.369 -6.869 1.00 0.00 H new ATOM 0 HG23 ILE A 117 6.049 -4.082 -6.906 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.517 -6.544 -4.251 1.00 0.00 H new ATOM 0 HD12 ILE A 117 5.399 -5.677 -5.801 1.00 0.00 H new ATOM 0 HD13 ILE A 117 6.988 -6.196 -5.190 1.00 0.00 H new ATOM 793 N GLN A 118 9.752 -3.009 -7.092 1.00 0.00 N ATOM 794 CA GLN A 118 10.459 -2.006 -7.880 1.00 0.00 C ATOM 795 C GLN A 118 9.729 -1.729 -9.190 1.00 0.00 C ATOM 796 O GLN A 118 8.678 -2.311 -9.463 1.00 0.00 O ATOM 797 CB GLN A 118 11.889 -2.466 -8.166 1.00 0.00 C ATOM 798 CG GLN A 118 12.747 -2.597 -6.919 1.00 0.00 C ATOM 799 CD GLN A 118 13.452 -1.305 -6.556 1.00 0.00 C ATOM 800 OE1 GLN A 118 14.548 -1.024 -7.043 1.00 0.00 O ATOM 801 NE2 GLN A 118 12.826 -0.510 -5.697 1.00 0.00 N ATOM 0 H GLN A 118 9.917 -3.971 -7.388 1.00 0.00 H new ATOM 0 HA GLN A 118 10.491 -1.083 -7.301 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.857 -3.428 -8.677 1.00 0.00 H new ATOM 0 HB3 GLN A 118 12.360 -1.758 -8.848 1.00 0.00 H new ATOM 0 HG2 GLN A 118 12.121 -2.912 -6.084 1.00 0.00 H new ATOM 0 HG3 GLN A 118 13.489 -3.380 -7.074 1.00 0.00 H new ATOM 0 HE21 GLN A 118 11.919 -0.782 -5.318 1.00 0.00 H new ATOM 0 HE22 GLN A 118 13.252 0.373 -5.416 1.00 0.00 H new ATOM 810 N LYS A 119 10.292 -0.837 -9.999 1.00 0.00 N ATOM 811 CA LYS A 119 9.696 -0.483 -11.281 1.00 0.00 C ATOM 812 C LYS A 119 9.946 -1.575 -12.317 1.00 0.00 C ATOM 813 O LYS A 119 9.055 -1.927 -13.090 1.00 0.00 O ATOM 814 CB LYS A 119 10.264 0.847 -11.781 1.00 0.00 C ATOM 815 CG LYS A 119 9.615 1.343 -13.061 1.00 0.00 C ATOM 816 CD LYS A 119 10.199 2.675 -13.503 1.00 0.00 C ATOM 817 CE LYS A 119 9.899 2.957 -14.967 1.00 0.00 C ATOM 818 NZ LYS A 119 10.715 2.105 -15.875 1.00 0.00 N ATOM 0 H LYS A 119 11.161 -0.346 -9.789 1.00 0.00 H new ATOM 0 HA LYS A 119 8.620 -0.381 -11.137 1.00 0.00 H new ATOM 0 HB2 LYS A 119 10.138 1.601 -11.004 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.336 0.735 -11.947 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.754 0.604 -13.850 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.541 1.448 -12.908 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.790 3.475 -12.886 1.00 0.00 H new ATOM 0 HD3 LYS A 119 11.278 2.671 -13.346 1.00 0.00 H new ATOM 0 HE2 LYS A 119 8.840 2.784 -15.161 1.00 0.00 H new ATOM 0 HE3 LYS A 119 10.095 4.008 -15.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 10.650 2.471 -16.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.708 2.119 -15.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 10.358 1.128 -15.848 1.00 0.00 H new ATOM 832 N LYS A 120 11.163 -2.108 -12.326 1.00 0.00 N ATOM 833 CA LYS A 120 11.529 -3.163 -13.264 1.00 0.00 C ATOM 834 C LYS A 120 10.682 -4.411 -13.039 1.00 0.00 C ATOM 835 O LYS A 120 10.064 -4.928 -13.968 1.00 0.00 O ATOM 836 CB LYS A 120 13.013 -3.508 -13.121 1.00 0.00 C ATOM 837 CG LYS A 120 13.939 -2.329 -13.365 1.00 0.00 C ATOM 838 CD LYS A 120 15.366 -2.646 -12.952 1.00 0.00 C ATOM 839 CE LYS A 120 16.267 -1.427 -13.080 1.00 0.00 C ATOM 840 NZ LYS A 120 17.473 -1.534 -12.212 1.00 0.00 N ATOM 0 H LYS A 120 11.913 -1.827 -11.694 1.00 0.00 H new ATOM 0 HA LYS A 120 11.342 -2.797 -14.274 1.00 0.00 H new ATOM 0 HB2 LYS A 120 13.192 -3.898 -12.119 1.00 0.00 H new ATOM 0 HB3 LYS A 120 13.261 -4.305 -13.822 1.00 0.00 H new ATOM 0 HG2 LYS A 120 13.916 -2.060 -14.421 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.582 -1.463 -12.808 1.00 0.00 H new ATOM 0 HD2 LYS A 120 15.377 -3.002 -11.922 1.00 0.00 H new ATOM 0 HD3 LYS A 120 15.755 -3.454 -13.572 1.00 0.00 H new ATOM 0 HE2 LYS A 120 16.576 -1.312 -14.119 1.00 0.00 H new ATOM 0 HE3 LYS A 120 15.706 -0.531 -12.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 18.061 -0.684 -12.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 17.179 -1.618 -11.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 18.022 -2.374 -12.483 1.00 0.00 H new ATOM 854 N ASN A 121 10.657 -4.887 -11.799 1.00 0.00 N ATOM 855 CA ASN A 121 9.883 -6.074 -11.452 1.00 0.00 C ATOM 856 C ASN A 121 8.625 -5.696 -10.677 1.00 0.00 C ATOM 857 O ASN A 121 8.414 -6.153 -9.554 1.00 0.00 O ATOM 858 CB ASN A 121 10.735 -7.039 -10.624 1.00 0.00 C ATOM 859 CG ASN A 121 11.914 -7.586 -11.405 1.00 0.00 C ATOM 860 OD1 ASN A 121 11.867 -7.687 -12.631 1.00 0.00 O ATOM 861 ND2 ASN A 121 12.979 -7.942 -10.697 1.00 0.00 N ATOM 0 H ASN A 121 11.163 -4.470 -11.018 1.00 0.00 H new ATOM 0 HA ASN A 121 9.584 -6.566 -12.378 1.00 0.00 H new ATOM 0 HB2 ASN A 121 11.099 -6.526 -9.734 1.00 0.00 H new ATOM 0 HB3 ASN A 121 10.113 -7.867 -10.283 1.00 0.00 H new ATOM 0 HD21 ASN A 121 13.803 -8.317 -11.168 1.00 0.00 H new ATOM 0 HD22 ASN A 121 12.974 -7.841 -9.682 1.00 0.00 H new ATOM 868 N ARG A 122 7.791 -4.860 -11.286 1.00 0.00 N ATOM 869 CA ARG A 122 6.553 -4.420 -10.654 1.00 0.00 C ATOM 870 C ARG A 122 5.700 -5.615 -10.238 1.00 0.00 C ATOM 871 O ARG A 122 5.301 -5.732 -9.080 1.00 0.00 O ATOM 872 CB ARG A 122 5.761 -3.521 -11.605 1.00 0.00 C ATOM 873 CG ARG A 122 6.167 -2.058 -11.540 1.00 0.00 C ATOM 874 CD ARG A 122 5.087 -1.155 -12.117 1.00 0.00 C ATOM 875 NE ARG A 122 4.988 -1.277 -13.568 1.00 0.00 N ATOM 876 CZ ARG A 122 4.529 -0.313 -14.358 1.00 0.00 C ATOM 877 NH1 ARG A 122 4.128 0.839 -13.838 1.00 0.00 N ATOM 878 NH2 ARG A 122 4.469 -0.500 -15.670 1.00 0.00 N ATOM 0 H ARG A 122 7.950 -4.474 -12.216 1.00 0.00 H new ATOM 0 HA ARG A 122 6.813 -3.852 -9.760 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.893 -3.881 -12.625 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.700 -3.605 -11.372 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.362 -1.779 -10.505 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.097 -1.912 -12.090 1.00 0.00 H new ATOM 0 HD2 ARG A 122 4.127 -1.405 -11.666 1.00 0.00 H new ATOM 0 HD3 ARG A 122 5.302 -0.119 -11.854 1.00 0.00 H new ATOM 0 HE ARG A 122 5.288 -2.151 -13.999 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.172 0.986 -12.830 1.00 0.00 H new ATOM 0 HH12 ARG A 122 3.776 1.578 -14.446 1.00 0.00 H new ATOM 0 HH21 ARG A 122 4.776 -1.385 -16.074 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.116 0.241 -16.275 1.00 0.00 H new ATOM 892 N ASN A 123 5.425 -6.500 -11.191 1.00 0.00 N ATOM 893 CA ASN A 123 4.619 -7.686 -10.923 1.00 0.00 C ATOM 894 C ASN A 123 5.489 -8.832 -10.416 1.00 0.00 C ATOM 895 O ASN A 123 5.450 -9.940 -10.952 1.00 0.00 O ATOM 896 CB ASN A 123 3.874 -8.117 -12.188 1.00 0.00 C ATOM 897 CG ASN A 123 4.814 -8.595 -13.278 1.00 0.00 C ATOM 898 OD1 ASN A 123 5.172 -9.771 -13.332 1.00 0.00 O ATOM 899 ND2 ASN A 123 5.217 -7.681 -14.154 1.00 0.00 N ATOM 0 H ASN A 123 5.748 -6.418 -12.155 1.00 0.00 H new ATOM 0 HA ASN A 123 3.893 -7.435 -10.149 1.00 0.00 H new ATOM 0 HB2 ASN A 123 3.174 -8.915 -11.940 1.00 0.00 H new ATOM 0 HB3 ASN A 123 3.284 -7.280 -12.562 1.00 0.00 H new ATOM 0 HD21 ASN A 123 5.849 -7.943 -14.910 1.00 0.00 H new ATOM 0 HD22 ASN A 123 4.894 -6.717 -14.070 1.00 0.00 H new ATOM 906 N LYS A 124 6.274 -8.558 -9.380 1.00 0.00 N ATOM 907 CA LYS A 124 7.153 -9.565 -8.798 1.00 0.00 C ATOM 908 C LYS A 124 6.399 -10.431 -7.793 1.00 0.00 C ATOM 909 O LYS A 124 6.259 -11.640 -7.982 1.00 0.00 O ATOM 910 CB LYS A 124 8.347 -8.896 -8.114 1.00 0.00 C ATOM 911 CG LYS A 124 9.427 -9.873 -7.682 1.00 0.00 C ATOM 912 CD LYS A 124 10.658 -9.150 -7.163 1.00 0.00 C ATOM 913 CE LYS A 124 11.414 -9.994 -6.148 1.00 0.00 C ATOM 914 NZ LYS A 124 12.771 -9.447 -5.872 1.00 0.00 N ATOM 0 H LYS A 124 6.319 -7.646 -8.926 1.00 0.00 H new ATOM 0 HA LYS A 124 7.514 -10.204 -9.604 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.782 -8.164 -8.795 1.00 0.00 H new ATOM 0 HB3 LYS A 124 7.994 -8.348 -7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.035 -10.530 -6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 124 9.704 -10.506 -8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.316 -8.906 -7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.361 -8.207 -6.704 1.00 0.00 H new ATOM 0 HE2 LYS A 124 10.846 -10.041 -5.219 1.00 0.00 H new ATOM 0 HE3 LYS A 124 11.503 -11.015 -6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 13.253 -10.050 -5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.323 -9.426 -6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 12.686 -8.482 -5.494 1.00 0.00 H new ATOM 928 N CYS A 125 5.913 -9.805 -6.727 1.00 0.00 N ATOM 929 CA CYS A 125 5.172 -10.517 -5.693 1.00 0.00 C ATOM 930 C CYS A 125 3.732 -10.018 -5.615 1.00 0.00 C ATOM 931 O CYS A 125 3.445 -8.868 -5.945 1.00 0.00 O ATOM 932 CB CYS A 125 5.857 -10.345 -4.335 1.00 0.00 C ATOM 933 SG CYS A 125 5.109 -11.328 -2.996 1.00 0.00 S ATOM 0 H CYS A 125 6.019 -8.805 -6.556 1.00 0.00 H new ATOM 0 HA CYS A 125 5.158 -11.575 -5.954 1.00 0.00 H new ATOM 0 HB2 CYS A 125 6.907 -10.622 -4.432 1.00 0.00 H new ATOM 0 HB3 CYS A 125 5.830 -9.291 -4.057 1.00 0.00 H new ATOM 0 HG CYS A 125 5.435 -10.815 -1.847 1.00 0.00 H new ATOM 938 N GLN A 126 2.832 -10.891 -5.175 1.00 0.00 N ATOM 939 CA GLN A 126 1.422 -10.539 -5.054 1.00 0.00 C ATOM 940 C GLN A 126 1.134 -9.907 -3.696 1.00 0.00 C ATOM 941 O GLN A 126 0.739 -8.743 -3.613 1.00 0.00 O ATOM 942 CB GLN A 126 0.547 -11.779 -5.248 1.00 0.00 C ATOM 943 CG GLN A 126 0.261 -12.098 -6.707 1.00 0.00 C ATOM 944 CD GLN A 126 -0.042 -13.566 -6.934 1.00 0.00 C ATOM 945 OE1 GLN A 126 -1.130 -14.045 -6.611 1.00 0.00 O ATOM 946 NE2 GLN A 126 0.920 -14.290 -7.493 1.00 0.00 N ATOM 0 H GLN A 126 3.054 -11.847 -4.896 1.00 0.00 H new ATOM 0 HA GLN A 126 1.187 -9.811 -5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 126 1.038 -12.636 -4.787 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -0.398 -11.633 -4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -0.584 -11.500 -7.047 1.00 0.00 H new ATOM 0 HG3 GLN A 126 1.120 -11.810 -7.313 1.00 0.00 H new ATOM 0 HE21 GLN A 126 1.806 -13.853 -7.745 1.00 0.00 H new ATOM 0 HE22 GLN A 126 0.773 -15.284 -7.671 1.00 0.00 H new ATOM 955 N TYR A 127 1.332 -10.680 -2.635 1.00 0.00 N ATOM 956 CA TYR A 127 1.091 -10.196 -1.281 1.00 0.00 C ATOM 957 C TYR A 127 1.867 -8.910 -1.015 1.00 0.00 C ATOM 958 O TYR A 127 1.281 -7.841 -0.846 1.00 0.00 O ATOM 959 CB TYR A 127 1.484 -11.263 -0.257 1.00 0.00 C ATOM 960 CG TYR A 127 1.152 -10.886 1.169 1.00 0.00 C ATOM 961 CD1 TYR A 127 -0.165 -10.701 1.571 1.00 0.00 C ATOM 962 CD2 TYR A 127 2.156 -10.717 2.114 1.00 0.00 C ATOM 963 CE1 TYR A 127 -0.473 -10.355 2.873 1.00 0.00 C ATOM 964 CE2 TYR A 127 1.857 -10.373 3.419 1.00 0.00 C ATOM 965 CZ TYR A 127 0.542 -10.193 3.793 1.00 0.00 C ATOM 966 OH TYR A 127 0.240 -9.850 5.091 1.00 0.00 O ATOM 0 H TYR A 127 1.659 -11.645 -2.686 1.00 0.00 H new ATOM 0 HA TYR A 127 0.026 -9.983 -1.184 1.00 0.00 H new ATOM 0 HB2 TYR A 127 0.978 -12.196 -0.504 1.00 0.00 H new ATOM 0 HB3 TYR A 127 2.555 -11.451 -0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -0.962 -10.830 0.854 1.00 0.00 H new ATOM 0 HD2 TYR A 127 3.187 -10.857 1.824 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -1.502 -10.212 3.168 1.00 0.00 H new ATOM 0 HE2 TYR A 127 2.649 -10.246 4.142 1.00 0.00 H new ATOM 0 HH TYR A 127 -0.641 -10.209 5.328 1.00 0.00 H new ATOM 976 N CYS A 128 3.191 -9.023 -0.980 1.00 0.00 N ATOM 977 CA CYS A 128 4.051 -7.871 -0.735 1.00 0.00 C ATOM 978 C CYS A 128 3.503 -6.627 -1.428 1.00 0.00 C ATOM 979 O CYS A 128 3.478 -5.541 -0.848 1.00 0.00 O ATOM 980 CB CYS A 128 5.472 -8.157 -1.223 1.00 0.00 C ATOM 981 SG CYS A 128 6.470 -9.150 -0.066 1.00 0.00 S ATOM 0 H CYS A 128 3.692 -9.901 -1.118 1.00 0.00 H new ATOM 0 HA CYS A 128 4.074 -7.687 0.339 1.00 0.00 H new ATOM 0 HB2 CYS A 128 5.418 -8.678 -2.179 1.00 0.00 H new ATOM 0 HB3 CYS A 128 5.980 -7.210 -1.404 1.00 0.00 H new ATOM 0 HG CYS A 128 6.085 -8.913 1.153 1.00 0.00 H new ATOM 986 N ARG A 129 3.066 -6.794 -2.672 1.00 0.00 N ATOM 987 CA ARG A 129 2.521 -5.684 -3.445 1.00 0.00 C ATOM 988 C ARG A 129 1.275 -5.114 -2.773 1.00 0.00 C ATOM 989 O ARG A 129 1.130 -3.899 -2.641 1.00 0.00 O ATOM 990 CB ARG A 129 2.182 -6.142 -4.865 1.00 0.00 C ATOM 991 CG ARG A 129 2.057 -5.000 -5.860 1.00 0.00 C ATOM 992 CD ARG A 129 1.272 -5.419 -7.093 1.00 0.00 C ATOM 993 NE ARG A 129 1.058 -4.303 -8.011 1.00 0.00 N ATOM 994 CZ ARG A 129 0.841 -4.453 -9.312 1.00 0.00 C ATOM 995 NH1 ARG A 129 0.808 -5.666 -9.847 1.00 0.00 N ATOM 996 NH2 ARG A 129 0.655 -3.389 -10.083 1.00 0.00 N ATOM 0 H ARG A 129 3.079 -7.686 -3.166 1.00 0.00 H new ATOM 0 HA ARG A 129 3.278 -4.901 -3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.954 -6.830 -5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.245 -6.699 -4.844 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.563 -4.153 -5.383 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.051 -4.664 -6.157 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.807 -6.216 -7.610 1.00 0.00 H new ATOM 0 HD3 ARG A 129 0.309 -5.827 -6.788 1.00 0.00 H new ATOM 0 HE ARG A 129 1.076 -3.356 -7.631 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.950 -6.487 -9.258 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.641 -5.778 -10.847 1.00 0.00 H new ATOM 0 HH21 ARG A 129 0.679 -2.454 -9.676 1.00 0.00 H new ATOM 0 HH22 ARG A 129 0.488 -3.506 -11.082 1.00 0.00 H new ATOM 1010 N PHE A 130 0.379 -6.000 -2.350 1.00 0.00 N ATOM 1011 CA PHE A 130 -0.854 -5.585 -1.692 1.00 0.00 C ATOM 1012 C PHE A 130 -0.562 -4.956 -0.333 1.00 0.00 C ATOM 1013 O PHE A 130 -1.143 -3.933 0.027 1.00 0.00 O ATOM 1014 CB PHE A 130 -1.794 -6.780 -1.522 1.00 0.00 C ATOM 1015 CG PHE A 130 -3.121 -6.419 -0.918 1.00 0.00 C ATOM 1016 CD1 PHE A 130 -4.125 -5.868 -1.698 1.00 0.00 C ATOM 1017 CD2 PHE A 130 -3.364 -6.630 0.429 1.00 0.00 C ATOM 1018 CE1 PHE A 130 -5.347 -5.535 -1.145 1.00 0.00 C ATOM 1019 CE2 PHE A 130 -4.584 -6.299 0.987 1.00 0.00 C ATOM 1020 CZ PHE A 130 -5.577 -5.750 0.199 1.00 0.00 C ATOM 0 H PHE A 130 0.484 -7.010 -2.451 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.337 -4.838 -2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -1.961 -7.242 -2.495 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -1.309 -7.527 -0.893 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.951 -5.697 -2.750 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -2.591 -7.058 1.050 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -6.122 -5.107 -1.764 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -4.761 -6.469 2.039 1.00 0.00 H new ATOM 0 HZ PHE A 130 -6.531 -5.490 0.633 1.00 0.00 H new ATOM 1030 N GLN A 131 0.343 -5.578 0.417 1.00 0.00 N ATOM 1031 CA GLN A 131 0.712 -5.081 1.737 1.00 0.00 C ATOM 1032 C GLN A 131 1.182 -3.632 1.661 1.00 0.00 C ATOM 1033 O GLN A 131 0.722 -2.778 2.419 1.00 0.00 O ATOM 1034 CB GLN A 131 1.810 -5.954 2.346 1.00 0.00 C ATOM 1035 CG GLN A 131 1.278 -7.157 3.108 1.00 0.00 C ATOM 1036 CD GLN A 131 0.385 -6.764 4.268 1.00 0.00 C ATOM 1037 OE1 GLN A 131 -0.828 -6.976 4.232 1.00 0.00 O ATOM 1038 NE2 GLN A 131 0.980 -6.188 5.306 1.00 0.00 N ATOM 0 H GLN A 131 0.833 -6.426 0.133 1.00 0.00 H new ATOM 0 HA GLN A 131 -0.172 -5.125 2.374 1.00 0.00 H new ATOM 0 HB2 GLN A 131 2.470 -6.301 1.551 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.414 -5.346 3.019 1.00 0.00 H new ATOM 0 HG2 GLN A 131 0.719 -7.797 2.425 1.00 0.00 H new ATOM 0 HG3 GLN A 131 2.116 -7.745 3.482 1.00 0.00 H new ATOM 0 HE21 GLN A 131 1.988 -6.031 5.294 1.00 0.00 H new ATOM 0 HE22 GLN A 131 0.429 -5.902 6.116 1.00 0.00 H new ATOM 1047 N LYS A 132 2.103 -3.361 0.742 1.00 0.00 N ATOM 1048 CA LYS A 132 2.636 -2.015 0.565 1.00 0.00 C ATOM 1049 C LYS A 132 1.510 -0.987 0.511 1.00 0.00 C ATOM 1050 O LYS A 132 1.579 0.057 1.160 1.00 0.00 O ATOM 1051 CB LYS A 132 3.472 -1.940 -0.714 1.00 0.00 C ATOM 1052 CG LYS A 132 4.285 -0.663 -0.834 1.00 0.00 C ATOM 1053 CD LYS A 132 5.511 -0.863 -1.709 1.00 0.00 C ATOM 1054 CE LYS A 132 6.427 0.351 -1.672 1.00 0.00 C ATOM 1055 NZ LYS A 132 7.733 0.082 -2.335 1.00 0.00 N ATOM 0 H LYS A 132 2.496 -4.056 0.108 1.00 0.00 H new ATOM 0 HA LYS A 132 3.271 -1.787 1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 132 4.147 -2.795 -0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 132 2.810 -2.022 -1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 132 3.663 0.128 -1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 132 4.594 -0.333 0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 132 6.059 -1.744 -1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 132 5.199 -1.054 -2.736 1.00 0.00 H new ATOM 0 HE2 LYS A 132 5.936 1.191 -2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 132 6.599 0.644 -0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 8.328 0.934 -2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 8.213 -0.703 -1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 7.571 -0.173 -3.330 1.00 0.00 H new ATOM 1069 N CYS A 133 0.476 -1.290 -0.265 1.00 0.00 N ATOM 1070 CA CYS A 133 -0.665 -0.392 -0.403 1.00 0.00 C ATOM 1071 C CYS A 133 -1.296 -0.101 0.955 1.00 0.00 C ATOM 1072 O CYS A 133 -1.563 1.053 1.294 1.00 0.00 O ATOM 1073 CB CYS A 133 -1.708 -0.998 -1.344 1.00 0.00 C ATOM 1074 SG CYS A 133 -1.377 -0.707 -3.098 1.00 0.00 S ATOM 0 H CYS A 133 0.404 -2.150 -0.808 1.00 0.00 H new ATOM 0 HA CYS A 133 -0.307 0.547 -0.826 1.00 0.00 H new ATOM 0 HB2 CYS A 133 -1.760 -2.073 -1.168 1.00 0.00 H new ATOM 0 HB3 CYS A 133 -2.687 -0.587 -1.097 1.00 0.00 H new ATOM 0 HG CYS A 133 -2.044 0.335 -3.498 1.00 0.00 H new ATOM 1080 N LEU A 134 -1.534 -1.155 1.728 1.00 0.00 N ATOM 1081 CA LEU A 134 -2.136 -1.014 3.049 1.00 0.00 C ATOM 1082 C LEU A 134 -1.248 -0.178 3.966 1.00 0.00 C ATOM 1083 O LEU A 134 -1.715 0.754 4.618 1.00 0.00 O ATOM 1084 CB LEU A 134 -2.377 -2.391 3.671 1.00 0.00 C ATOM 1085 CG LEU A 134 -3.275 -3.338 2.875 1.00 0.00 C ATOM 1086 CD1 LEU A 134 -3.046 -4.779 3.306 1.00 0.00 C ATOM 1087 CD2 LEU A 134 -4.738 -2.955 3.044 1.00 0.00 C ATOM 0 H LEU A 134 -1.319 -2.116 1.463 1.00 0.00 H new ATOM 0 HA LEU A 134 -3.091 -0.502 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -1.412 -2.875 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -2.816 -2.250 4.658 1.00 0.00 H new ATOM 0 HG LEU A 134 -3.017 -3.250 1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -3.694 -5.439 2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -2.005 -5.050 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -3.275 -4.882 4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -5.362 -3.640 2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -5.010 -3.013 4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -4.892 -1.937 2.685 1.00 0.00 H new ATOM 1099 N ALA A 135 0.037 -0.518 4.007 1.00 0.00 N ATOM 1100 CA ALA A 135 0.991 0.203 4.840 1.00 0.00 C ATOM 1101 C ALA A 135 1.025 1.684 4.479 1.00 0.00 C ATOM 1102 O ALA A 135 1.091 2.546 5.356 1.00 0.00 O ATOM 1103 CB ALA A 135 2.378 -0.408 4.703 1.00 0.00 C ATOM 0 H ALA A 135 0.440 -1.288 3.473 1.00 0.00 H new ATOM 0 HA ALA A 135 0.669 0.116 5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.081 0.140 5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.349 -1.451 5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.700 -0.351 3.663 1.00 0.00 H new ATOM 1109 N LEU A 136 0.980 1.973 3.183 1.00 0.00 N ATOM 1110 CA LEU A 136 1.006 3.352 2.705 1.00 0.00 C ATOM 1111 C LEU A 136 -0.148 4.155 3.297 1.00 0.00 C ATOM 1112 O LEU A 136 -0.037 5.364 3.499 1.00 0.00 O ATOM 1113 CB LEU A 136 0.934 3.384 1.178 1.00 0.00 C ATOM 1114 CG LEU A 136 2.212 2.989 0.437 1.00 0.00 C ATOM 1115 CD1 LEU A 136 1.963 2.924 -1.061 1.00 0.00 C ATOM 1116 CD2 LEU A 136 3.335 3.966 0.752 1.00 0.00 C ATOM 0 H LEU A 136 0.925 1.272 2.444 1.00 0.00 H new ATOM 0 HA LEU A 136 1.943 3.805 3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.132 2.719 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 136 0.655 4.391 0.868 1.00 0.00 H new ATOM 0 HG LEU A 136 2.514 1.998 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.884 2.641 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.191 2.184 -1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.635 3.900 -1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 136 4.237 3.669 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 136 3.042 4.969 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 136 3.532 3.961 1.824 1.00 0.00 H new ATOM 1128 N GLY A 137 -1.255 3.474 3.576 1.00 0.00 N ATOM 1129 CA GLY A 137 -2.413 4.140 4.144 1.00 0.00 C ATOM 1130 C GLY A 137 -3.579 4.201 3.177 1.00 0.00 C ATOM 1131 O GLY A 137 -4.369 5.144 3.207 1.00 0.00 O ATOM 0 H GLY A 137 -1.371 2.473 3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -2.722 3.616 5.049 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -2.137 5.152 4.440 1.00 0.00 H new ATOM 1135 N MET A 138 -3.686 3.194 2.317 1.00 0.00 N ATOM 1136 CA MET A 138 -4.765 3.137 1.337 1.00 0.00 C ATOM 1137 C MET A 138 -6.085 2.761 2.002 1.00 0.00 C ATOM 1138 O MET A 138 -6.186 1.725 2.659 1.00 0.00 O ATOM 1139 CB MET A 138 -4.429 2.130 0.236 1.00 0.00 C ATOM 1140 CG MET A 138 -3.328 2.598 -0.702 1.00 0.00 C ATOM 1141 SD MET A 138 -3.338 1.721 -2.277 1.00 0.00 S ATOM 1142 CE MET A 138 -2.877 3.038 -3.400 1.00 0.00 C ATOM 0 H MET A 138 -3.039 2.406 2.278 1.00 0.00 H new ATOM 0 HA MET A 138 -4.872 4.127 0.893 1.00 0.00 H new ATOM 0 HB2 MET A 138 -4.127 1.189 0.696 1.00 0.00 H new ATOM 0 HB3 MET A 138 -5.328 1.927 -0.346 1.00 0.00 H new ATOM 0 HG2 MET A 138 -3.442 3.667 -0.885 1.00 0.00 H new ATOM 0 HG3 MET A 138 -2.361 2.458 -0.219 1.00 0.00 H new ATOM 0 HE1 MET A 138 -3.254 2.814 -4.398 1.00 0.00 H new ATOM 0 HE2 MET A 138 -3.305 3.978 -3.053 1.00 0.00 H new ATOM 0 HE3 MET A 138 -1.791 3.124 -3.433 1.00 0.00 H new ATOM 1152 N SER A 139 -7.093 3.610 1.828 1.00 0.00 N ATOM 1153 CA SER A 139 -8.406 3.368 2.415 1.00 0.00 C ATOM 1154 C SER A 139 -9.270 2.524 1.484 1.00 0.00 C ATOM 1155 O SER A 139 -9.404 2.826 0.298 1.00 0.00 O ATOM 1156 CB SER A 139 -9.105 4.695 2.716 1.00 0.00 C ATOM 1157 OG SER A 139 -8.533 5.328 3.847 1.00 0.00 O ATOM 0 H SER A 139 -7.026 4.471 1.286 1.00 0.00 H new ATOM 0 HA SER A 139 -8.265 2.820 3.347 1.00 0.00 H new ATOM 0 HB2 SER A 139 -9.030 5.353 1.850 1.00 0.00 H new ATOM 0 HB3 SER A 139 -10.166 4.519 2.892 1.00 0.00 H new ATOM 0 HG SER A 139 -8.996 6.175 4.017 1.00 0.00 H new ATOM 1163 N HIS A 140 -9.855 1.462 2.030 1.00 0.00 N ATOM 1164 CA HIS A 140 -10.708 0.573 1.249 1.00 0.00 C ATOM 1165 C HIS A 140 -12.121 1.137 1.135 1.00 0.00 C ATOM 1166 O HIS A 140 -12.711 1.144 0.055 1.00 0.00 O ATOM 1167 CB HIS A 140 -10.750 -0.817 1.886 1.00 0.00 C ATOM 1168 CG HIS A 140 -12.030 -1.552 1.633 1.00 0.00 C ATOM 1169 ND1 HIS A 140 -12.699 -1.507 0.428 1.00 0.00 N ATOM 1170 CD2 HIS A 140 -12.763 -2.356 2.438 1.00 0.00 C ATOM 1171 CE1 HIS A 140 -13.789 -2.250 0.503 1.00 0.00 C ATOM 1172 NE2 HIS A 140 -13.851 -2.777 1.713 1.00 0.00 N ATOM 0 H HIS A 140 -9.754 1.196 3.010 1.00 0.00 H new ATOM 0 HA HIS A 140 -10.287 0.493 0.247 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -9.919 -1.409 1.503 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -10.603 -0.720 2.962 1.00 0.00 H new ATOM 0 HD1 HIS A 140 -12.399 -0.982 -0.393 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -12.535 -2.618 3.461 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -14.507 -2.401 -0.290 1.00 0.00 H new