USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 637 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: C 69 SER OG : rot -82:sc= 0.254 USER MOD Set 1.2: C 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 37 SER OG : rot 180:sc= -0.28 USER MOD Set 2.2: C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 11 GLN : amide:sc=-0.00598 K(o=-0.006,f=-0.51) USER MOD Single : C 13 THR OG1 : rot 180:sc= -0.589 USER MOD Single : C 16 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.29) USER MOD Single : C 17 LYS NZ :NH3+ 164:sc= 0.0698 (180deg=-0.181) USER MOD Single : C 18 ASN : amide:sc= -1.66 K(o=-1.7,f=-6.3!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 180:sc= 0 USER MOD Single : C 39 LYS NZ :NH3+ 160:sc= -0.116 (180deg=-0.712) USER MOD Single : C 43 LYS NZ :NH3+ -123:sc= -0.119 (180deg=-0.655) USER MOD Single : C 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 50 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.35) USER MOD Single : C 51 ASN : amide:sc= -0.196 K(o=-0.2,f=-2.1) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.565 USER MOD Single : C 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 80 MET CE :methyl 164:sc=-0.00934 (180deg=-0.323) USER MOD Single : C 81 MET CE :methyl 172:sc= 0 (180deg=-0.0207) USER MOD Single : C 84 CYS SG : rot 86:sc= 0.226! USER MOD Single : C 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 86 LYS NZ :NH3+ 154:sc= -0.0678 (180deg=-0.565) USER MOD Single : I 153 MET CE :methyl 166:sc= -0.0669 (180deg=-0.469) USER MOD Single : I 154 MET CE :methyl -169:sc= 0 (180deg=-0.0148) USER MOD Single : I 155 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 106 N ALA C 7 23.683 -0.351 4.913 1.00 0.00 N ATOM 107 CA ALA C 7 24.705 -1.390 4.903 1.00 0.00 C ATOM 108 C ALA C 7 26.088 -0.786 5.071 1.00 0.00 C ATOM 109 O ALA C 7 26.962 -1.385 5.687 1.00 0.00 O ATOM 110 CB ALA C 7 24.648 -2.182 3.594 1.00 0.00 C ATOM 0 HA ALA C 7 24.510 -2.062 5.739 1.00 0.00 H new ATOM 0 HB1 ALA C 7 25.417 -2.954 3.602 1.00 0.00 H new ATOM 0 HB2 ALA C 7 23.668 -2.648 3.493 1.00 0.00 H new ATOM 0 HB3 ALA C 7 24.818 -1.509 2.754 1.00 0.00 H new ATOM 116 N ALA C 8 26.292 0.398 4.506 1.00 0.00 N ATOM 117 CA ALA C 8 27.596 1.040 4.595 1.00 0.00 C ATOM 118 C ALA C 8 27.968 1.290 6.048 1.00 0.00 C ATOM 119 O ALA C 8 29.104 1.055 6.458 1.00 0.00 O ATOM 120 CB ALA C 8 27.577 2.364 3.830 1.00 0.00 C ATOM 0 H ALA C 8 25.586 0.924 3.991 1.00 0.00 H new ATOM 0 HA ALA C 8 28.341 0.378 4.152 1.00 0.00 H new ATOM 0 HB1 ALA C 8 28.555 2.839 3.901 1.00 0.00 H new ATOM 0 HB2 ALA C 8 27.340 2.176 2.783 1.00 0.00 H new ATOM 0 HB3 ALA C 8 26.822 3.022 4.260 1.00 0.00 H new ATOM 126 N VAL C 9 27.005 1.758 6.821 1.00 0.00 N ATOM 127 CA VAL C 9 27.239 2.027 8.229 1.00 0.00 C ATOM 128 C VAL C 9 27.551 0.742 8.995 1.00 0.00 C ATOM 129 O VAL C 9 28.521 0.680 9.750 1.00 0.00 O ATOM 130 CB VAL C 9 26.001 2.679 8.816 1.00 0.00 C ATOM 131 CG1 VAL C 9 26.141 2.754 10.334 1.00 0.00 C ATOM 132 CG2 VAL C 9 25.853 4.090 8.245 1.00 0.00 C ATOM 0 H VAL C 9 26.058 1.959 6.500 1.00 0.00 H new ATOM 0 HA VAL C 9 28.099 2.691 8.319 1.00 0.00 H new ATOM 0 HB VAL C 9 25.120 2.090 8.561 1.00 0.00 H new ATOM 0 HG11 VAL C 9 25.253 3.222 10.759 1.00 0.00 H new ATOM 0 HG12 VAL C 9 26.250 1.748 10.739 1.00 0.00 H new ATOM 0 HG13 VAL C 9 27.020 3.345 10.590 1.00 0.00 H new ATOM 0 HG21 VAL C 9 24.964 4.561 8.665 1.00 0.00 H new ATOM 0 HG22 VAL C 9 26.732 4.681 8.502 1.00 0.00 H new ATOM 0 HG23 VAL C 9 25.757 4.035 7.161 1.00 0.00 H new ATOM 142 N GLU C 10 26.724 -0.279 8.791 1.00 0.00 N ATOM 143 CA GLU C 10 26.911 -1.560 9.460 1.00 0.00 C ATOM 144 C GLU C 10 28.200 -2.222 8.990 1.00 0.00 C ATOM 145 O GLU C 10 28.854 -2.939 9.745 1.00 0.00 O ATOM 146 CB GLU C 10 25.715 -2.481 9.193 1.00 0.00 C ATOM 147 CG GLU C 10 25.829 -3.749 10.047 1.00 0.00 C ATOM 148 CD GLU C 10 26.354 -4.904 9.204 1.00 0.00 C ATOM 149 OE1 GLU C 10 25.542 -5.605 8.623 1.00 0.00 O1- ATOM 150 OE2 GLU C 10 27.561 -5.074 9.154 1.00 0.00 O ATOM 0 H GLU C 10 25.918 -0.243 8.167 1.00 0.00 H new ATOM 0 HA GLU C 10 26.982 -1.382 10.533 1.00 0.00 H new ATOM 0 HB2 GLU C 10 24.786 -1.960 9.423 1.00 0.00 H new ATOM 0 HB3 GLU C 10 25.678 -2.746 8.136 1.00 0.00 H new ATOM 0 HG2 GLU C 10 26.497 -3.570 10.889 1.00 0.00 H new ATOM 0 HG3 GLU C 10 24.854 -4.006 10.462 1.00 0.00 H new ATOM 157 N GLN C 11 28.547 -1.983 7.733 1.00 0.00 N ATOM 158 CA GLN C 11 29.751 -2.570 7.156 1.00 0.00 C ATOM 159 C GLN C 11 30.987 -2.119 7.928 1.00 0.00 C ATOM 160 O GLN C 11 32.008 -2.806 7.931 1.00 0.00 O ATOM 161 CB GLN C 11 29.884 -2.161 5.687 1.00 0.00 C ATOM 162 CG GLN C 11 31.058 -2.905 5.048 1.00 0.00 C ATOM 163 CD GLN C 11 31.106 -2.610 3.553 1.00 0.00 C ATOM 164 OE1 GLN C 11 30.075 -2.637 2.881 1.00 0.00 O ATOM 165 NE2 GLN C 11 32.248 -2.326 2.987 1.00 0.00 N ATOM 0 H GLN C 11 28.016 -1.390 7.095 1.00 0.00 H new ATOM 0 HA GLN C 11 29.671 -3.655 7.221 1.00 0.00 H new ATOM 0 HB2 GLN C 11 28.962 -2.388 5.151 1.00 0.00 H new ATOM 0 HB3 GLN C 11 30.039 -1.085 5.612 1.00 0.00 H new ATOM 0 HG2 GLN C 11 31.993 -2.600 5.518 1.00 0.00 H new ATOM 0 HG3 GLN C 11 30.954 -3.977 5.213 1.00 0.00 H new ATOM 0 HE21 GLN C 11 33.102 -2.304 3.544 1.00 0.00 H new ATOM 0 HE22 GLN C 11 32.286 -2.126 1.987 1.00 0.00 H new ATOM 174 N LEU C 12 30.895 -0.965 8.582 1.00 0.00 N ATOM 175 CA LEU C 12 32.019 -0.450 9.348 1.00 0.00 C ATOM 176 C LEU C 12 32.460 -1.466 10.399 1.00 0.00 C ATOM 177 O LEU C 12 31.635 -2.046 11.106 1.00 0.00 O ATOM 178 CB LEU C 12 31.601 0.845 10.046 1.00 0.00 C ATOM 179 CG LEU C 12 31.181 1.883 9.003 1.00 0.00 C ATOM 180 CD1 LEU C 12 30.675 3.135 9.719 1.00 0.00 C ATOM 181 CD2 LEU C 12 32.376 2.250 8.113 1.00 0.00 C ATOM 0 H LEU C 12 30.062 -0.376 8.596 1.00 0.00 H new ATOM 0 HA LEU C 12 32.851 -0.260 8.669 1.00 0.00 H new ATOM 0 HB2 LEU C 12 30.776 0.650 10.731 1.00 0.00 H new ATOM 0 HB3 LEU C 12 32.427 1.230 10.644 1.00 0.00 H new ATOM 0 HG LEU C 12 30.390 1.467 8.379 1.00 0.00 H new ATOM 0 HD11 LEU C 12 30.374 3.879 8.982 1.00 0.00 H new ATOM 0 HD12 LEU C 12 29.820 2.876 10.344 1.00 0.00 H new ATOM 0 HD13 LEU C 12 31.470 3.544 10.343 1.00 0.00 H new ATOM 0 HD21 LEU C 12 32.066 2.989 7.374 1.00 0.00 H new ATOM 0 HD22 LEU C 12 33.174 2.665 8.729 1.00 0.00 H new ATOM 0 HD23 LEU C 12 32.738 1.357 7.603 1.00 0.00 H new ATOM 193 N THR C 13 33.769 -1.670 10.497 1.00 0.00 N ATOM 194 CA THR C 13 34.321 -2.609 11.458 1.00 0.00 C ATOM 195 C THR C 13 34.356 -1.990 12.842 1.00 0.00 C ATOM 196 O THR C 13 34.164 -0.783 13.002 1.00 0.00 O ATOM 197 CB THR C 13 35.732 -3.032 11.044 1.00 0.00 C ATOM 198 OG1 THR C 13 36.584 -1.900 11.052 1.00 0.00 O ATOM 199 CG2 THR C 13 35.692 -3.634 9.641 1.00 0.00 C ATOM 0 H THR C 13 34.465 -1.196 9.921 1.00 0.00 H new ATOM 0 HA THR C 13 33.681 -3.491 11.480 1.00 0.00 H new ATOM 0 HB THR C 13 36.111 -3.776 11.745 1.00 0.00 H new ATOM 0 HG1 THR C 13 37.489 -2.170 10.789 1.00 0.00 H new ATOM 0 HG21 THR C 13 36.697 -3.935 9.346 1.00 0.00 H new ATOM 0 HG22 THR C 13 35.036 -4.505 9.637 1.00 0.00 H new ATOM 0 HG23 THR C 13 35.314 -2.892 8.937 1.00 0.00 H new ATOM 207 N GLU C 14 34.593 -2.822 13.841 1.00 0.00 N ATOM 208 CA GLU C 14 34.645 -2.351 15.206 1.00 0.00 C ATOM 209 C GLU C 14 35.760 -1.334 15.361 1.00 0.00 C ATOM 210 O GLU C 14 35.614 -0.327 16.053 1.00 0.00 O ATOM 211 CB GLU C 14 34.859 -3.535 16.148 1.00 0.00 C ATOM 212 CG GLU C 14 34.759 -3.051 17.589 1.00 0.00 C ATOM 213 CD GLU C 14 34.799 -4.234 18.551 1.00 0.00 C ATOM 214 OE1 GLU C 14 35.001 -5.343 18.088 1.00 0.00 O ATOM 215 OE2 GLU C 14 34.615 -4.012 19.737 1.00 0.00 O1- ATOM 0 H GLU C 14 34.752 -3.823 13.729 1.00 0.00 H new ATOM 0 HA GLU C 14 33.702 -1.867 15.460 1.00 0.00 H new ATOM 0 HB2 GLU C 14 34.113 -4.306 15.958 1.00 0.00 H new ATOM 0 HB3 GLU C 14 35.835 -3.986 15.970 1.00 0.00 H new ATOM 0 HG2 GLU C 14 35.580 -2.368 17.808 1.00 0.00 H new ATOM 0 HG3 GLU C 14 33.834 -2.492 17.728 1.00 0.00 H new ATOM 222 N GLU C 15 36.872 -1.604 14.704 1.00 0.00 N ATOM 223 CA GLU C 15 38.019 -0.703 14.762 1.00 0.00 C ATOM 224 C GLU C 15 37.687 0.631 14.096 1.00 0.00 C ATOM 225 O GLU C 15 38.073 1.693 14.589 1.00 0.00 O ATOM 226 CB GLU C 15 39.229 -1.337 14.068 1.00 0.00 C ATOM 227 CG GLU C 15 39.716 -2.557 14.862 1.00 0.00 C ATOM 228 CD GLU C 15 38.873 -3.785 14.522 1.00 0.00 C ATOM 229 OE1 GLU C 15 37.965 -3.657 13.716 1.00 0.00 O ATOM 230 OE2 GLU C 15 39.148 -4.836 15.076 1.00 0.00 O1- ATOM 0 H GLU C 15 37.010 -2.433 14.126 1.00 0.00 H new ATOM 0 HA GLU C 15 38.260 -0.525 15.810 1.00 0.00 H new ATOM 0 HB2 GLU C 15 38.961 -1.637 13.055 1.00 0.00 H new ATOM 0 HB3 GLU C 15 40.033 -0.606 13.982 1.00 0.00 H new ATOM 0 HG2 GLU C 15 40.764 -2.753 14.634 1.00 0.00 H new ATOM 0 HG3 GLU C 15 39.656 -2.351 15.931 1.00 0.00 H new ATOM 237 N GLN C 16 36.964 0.578 12.979 1.00 0.00 N ATOM 238 CA GLN C 16 36.589 1.801 12.274 1.00 0.00 C ATOM 239 C GLN C 16 35.719 2.676 13.162 1.00 0.00 C ATOM 240 O GLN C 16 35.895 3.893 13.217 1.00 0.00 O ATOM 241 CB GLN C 16 35.833 1.450 10.994 1.00 0.00 C ATOM 242 CG GLN C 16 36.812 0.902 9.955 1.00 0.00 C ATOM 243 CD GLN C 16 37.687 2.031 9.424 1.00 0.00 C ATOM 244 OE1 GLN C 16 37.172 3.013 8.889 1.00 0.00 O ATOM 245 NE2 GLN C 16 38.983 1.952 9.540 1.00 0.00 N ATOM 0 H GLN C 16 36.631 -0.284 12.548 1.00 0.00 H new ATOM 0 HA GLN C 16 37.495 2.350 12.018 1.00 0.00 H new ATOM 0 HB2 GLN C 16 35.061 0.711 11.207 1.00 0.00 H new ATOM 0 HB3 GLN C 16 35.329 2.334 10.603 1.00 0.00 H new ATOM 0 HG2 GLN C 16 37.434 0.127 10.402 1.00 0.00 H new ATOM 0 HG3 GLN C 16 36.264 0.438 9.135 1.00 0.00 H new ATOM 0 HE21 GLN C 16 39.407 1.137 9.984 1.00 0.00 H new ATOM 0 HE22 GLN C 16 39.573 2.705 9.187 1.00 0.00 H new ATOM 254 N LYS C 17 34.790 2.050 13.866 1.00 0.00 N ATOM 255 CA LYS C 17 33.914 2.788 14.759 1.00 0.00 C ATOM 256 C LYS C 17 34.711 3.363 15.913 1.00 0.00 C ATOM 257 O LYS C 17 34.440 4.471 16.375 1.00 0.00 O ATOM 258 CB LYS C 17 32.792 1.889 15.287 1.00 0.00 C ATOM 259 CG LYS C 17 31.848 1.492 14.142 1.00 0.00 C ATOM 260 CD LYS C 17 30.469 1.156 14.716 1.00 0.00 C ATOM 261 CE LYS C 17 29.528 0.731 13.587 1.00 0.00 C ATOM 262 NZ LYS C 17 29.934 -0.612 13.087 1.00 0.00 N1+ ATOM 0 H LYS C 17 34.624 1.044 13.837 1.00 0.00 H new ATOM 0 HA LYS C 17 33.461 3.606 14.198 1.00 0.00 H new ATOM 0 HB2 LYS C 17 33.217 0.995 15.744 1.00 0.00 H new ATOM 0 HB3 LYS C 17 32.234 2.410 16.064 1.00 0.00 H new ATOM 0 HG2 LYS C 17 31.767 2.307 13.423 1.00 0.00 H new ATOM 0 HG3 LYS C 17 32.250 0.633 13.605 1.00 0.00 H new ATOM 0 HD2 LYS C 17 30.556 0.355 15.450 1.00 0.00 H new ATOM 0 HD3 LYS C 17 30.060 2.022 15.236 1.00 0.00 H new ATOM 0 HE2 LYS C 17 28.500 0.702 13.947 1.00 0.00 H new ATOM 0 HE3 LYS C 17 29.562 1.459 12.776 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 29.161 -1.022 12.525 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 30.782 -0.519 12.493 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 30.143 -1.234 13.894 1.00 0.00 H new ATOM 276 N ASN C 18 35.686 2.610 16.386 1.00 0.00 N ATOM 277 CA ASN C 18 36.489 3.083 17.494 1.00 0.00 C ATOM 278 C ASN C 18 37.230 4.359 17.111 1.00 0.00 C ATOM 279 O ASN C 18 37.320 5.301 17.902 1.00 0.00 O ATOM 280 CB ASN C 18 37.492 2.013 17.911 1.00 0.00 C ATOM 281 CG ASN C 18 36.764 0.839 18.553 1.00 0.00 C ATOM 282 OD1 ASN C 18 36.901 -0.299 18.104 1.00 0.00 O ATOM 283 ND2 ASN C 18 35.986 1.048 19.580 1.00 0.00 N ATOM 0 H ASN C 18 35.937 1.688 16.029 1.00 0.00 H new ATOM 0 HA ASN C 18 35.825 3.299 18.331 1.00 0.00 H new ATOM 0 HB2 ASN C 18 38.054 1.672 17.042 1.00 0.00 H new ATOM 0 HB3 ASN C 18 38.213 2.432 18.613 1.00 0.00 H new ATOM 0 HD21 ASN C 18 35.491 0.268 20.012 1.00 0.00 H new ATOM 0 HD22 ASN C 18 35.873 1.991 19.951 1.00 0.00 H new ATOM 290 N GLU C 19 37.748 4.390 15.891 1.00 0.00 N ATOM 291 CA GLU C 19 38.467 5.564 15.407 1.00 0.00 C ATOM 292 C GLU C 19 37.532 6.769 15.329 1.00 0.00 C ATOM 293 O GLU C 19 37.930 7.900 15.608 1.00 0.00 O ATOM 294 CB GLU C 19 39.063 5.277 14.027 1.00 0.00 C ATOM 295 CG GLU C 19 40.216 4.277 14.158 1.00 0.00 C ATOM 296 CD GLU C 19 41.388 4.917 14.895 1.00 0.00 C ATOM 297 OE1 GLU C 19 41.582 6.111 14.732 1.00 0.00 O ATOM 298 OE2 GLU C 19 42.069 4.208 15.617 1.00 0.00 O1- ATOM 0 H GLU C 19 37.686 3.623 15.222 1.00 0.00 H new ATOM 0 HA GLU C 19 39.272 5.792 16.106 1.00 0.00 H new ATOM 0 HB2 GLU C 19 38.295 4.876 13.365 1.00 0.00 H new ATOM 0 HB3 GLU C 19 39.421 6.202 13.576 1.00 0.00 H new ATOM 0 HG2 GLU C 19 39.879 3.391 14.696 1.00 0.00 H new ATOM 0 HG3 GLU C 19 40.535 3.947 13.169 1.00 0.00 H new ATOM 305 N PHE C 20 36.291 6.516 14.934 1.00 0.00 N ATOM 306 CA PHE C 20 35.302 7.580 14.806 1.00 0.00 C ATOM 307 C PHE C 20 35.052 8.231 16.166 1.00 0.00 C ATOM 308 O PHE C 20 34.960 9.454 16.276 1.00 0.00 O ATOM 309 CB PHE C 20 33.996 7.000 14.252 1.00 0.00 C ATOM 310 CG PHE C 20 34.053 6.942 12.735 1.00 0.00 C ATOM 311 CD1 PHE C 20 35.247 6.613 12.070 1.00 0.00 C ATOM 312 CD2 PHE C 20 32.900 7.222 11.992 1.00 0.00 C ATOM 313 CE1 PHE C 20 35.282 6.568 10.673 1.00 0.00 C ATOM 314 CE2 PHE C 20 32.937 7.175 10.593 1.00 0.00 C ATOM 315 CZ PHE C 20 34.127 6.849 9.933 1.00 0.00 C ATOM 0 H PHE C 20 35.945 5.586 14.697 1.00 0.00 H new ATOM 0 HA PHE C 20 35.678 8.339 14.120 1.00 0.00 H new ATOM 0 HB2 PHE C 20 33.832 6.001 14.656 1.00 0.00 H new ATOM 0 HB3 PHE C 20 33.153 7.614 14.569 1.00 0.00 H new ATOM 0 HD1 PHE C 20 36.139 6.395 12.639 1.00 0.00 H new ATOM 0 HD2 PHE C 20 31.980 7.475 12.499 1.00 0.00 H new ATOM 0 HE1 PHE C 20 36.201 6.316 10.164 1.00 0.00 H new ATOM 0 HE2 PHE C 20 32.046 7.391 10.023 1.00 0.00 H new ATOM 0 HZ PHE C 20 34.155 6.814 8.854 1.00 0.00 H new ATOM 325 N LYS C 21 34.966 7.405 17.203 1.00 0.00 N ATOM 326 CA LYS C 21 34.755 7.903 18.557 1.00 0.00 C ATOM 327 C LYS C 21 35.897 8.818 18.978 1.00 0.00 C ATOM 328 O LYS C 21 35.676 9.851 19.608 1.00 0.00 O ATOM 329 CB LYS C 21 34.648 6.733 19.539 1.00 0.00 C ATOM 330 CG LYS C 21 34.578 7.268 20.974 1.00 0.00 C ATOM 331 CD LYS C 21 34.224 6.128 21.930 1.00 0.00 C ATOM 332 CE LYS C 21 32.713 6.105 22.157 1.00 0.00 C ATOM 333 NZ LYS C 21 32.363 4.959 23.039 1.00 0.00 N1+ ATOM 0 H LYS C 21 35.039 6.390 17.132 1.00 0.00 H new ATOM 0 HA LYS C 21 33.825 8.472 18.569 1.00 0.00 H new ATOM 0 HB2 LYS C 21 33.761 6.140 19.318 1.00 0.00 H new ATOM 0 HB3 LYS C 21 35.508 6.073 19.428 1.00 0.00 H new ATOM 0 HG2 LYS C 21 35.534 7.708 21.256 1.00 0.00 H new ATOM 0 HG3 LYS C 21 33.831 8.058 21.042 1.00 0.00 H new ATOM 0 HD2 LYS C 21 34.555 5.176 21.516 1.00 0.00 H new ATOM 0 HD3 LYS C 21 34.743 6.260 22.879 1.00 0.00 H new ATOM 0 HE2 LYS C 21 32.388 7.041 22.612 1.00 0.00 H new ATOM 0 HE3 LYS C 21 32.192 6.017 21.204 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 31.335 4.942 23.194 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 32.660 4.070 22.588 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 32.850 5.063 23.952 1.00 0.00 H new ATOM 347 N ALA C 22 37.121 8.428 18.641 1.00 0.00 N ATOM 348 CA ALA C 22 38.280 9.231 19.014 1.00 0.00 C ATOM 349 C ALA C 22 38.174 10.625 18.413 1.00 0.00 C ATOM 350 O ALA C 22 38.432 11.624 19.087 1.00 0.00 O ATOM 351 CB ALA C 22 39.562 8.566 18.517 1.00 0.00 C ATOM 0 H ALA C 22 37.335 7.578 18.120 1.00 0.00 H new ATOM 0 HA ALA C 22 38.308 9.309 20.101 1.00 0.00 H new ATOM 0 HB1 ALA C 22 40.421 9.174 18.801 1.00 0.00 H new ATOM 0 HB2 ALA C 22 39.655 7.576 18.963 1.00 0.00 H new ATOM 0 HB3 ALA C 22 39.526 8.473 17.432 1.00 0.00 H new ATOM 357 N ALA C 23 37.778 10.691 17.150 1.00 0.00 N ATOM 358 CA ALA C 23 37.628 11.976 16.484 1.00 0.00 C ATOM 359 C ALA C 23 36.540 12.797 17.164 1.00 0.00 C ATOM 360 O ALA C 23 36.690 14.000 17.367 1.00 0.00 O ATOM 361 CB ALA C 23 37.275 11.766 15.012 1.00 0.00 C ATOM 0 H ALA C 23 37.557 9.880 16.572 1.00 0.00 H new ATOM 0 HA ALA C 23 38.572 12.516 16.550 1.00 0.00 H new ATOM 0 HB1 ALA C 23 37.165 12.734 14.523 1.00 0.00 H new ATOM 0 HB2 ALA C 23 38.069 11.201 14.524 1.00 0.00 H new ATOM 0 HB3 ALA C 23 36.338 11.213 14.938 1.00 0.00 H new ATOM 367 N PHE C 24 35.445 12.135 17.519 1.00 0.00 N ATOM 368 CA PHE C 24 34.335 12.813 18.178 1.00 0.00 C ATOM 369 C PHE C 24 34.773 13.372 19.530 1.00 0.00 C ATOM 370 O PHE C 24 34.412 14.490 19.892 1.00 0.00 O ATOM 371 CB PHE C 24 33.163 11.845 18.367 1.00 0.00 C ATOM 372 CG PHE C 24 31.959 12.606 18.871 1.00 0.00 C ATOM 373 CD1 PHE C 24 31.303 13.506 18.021 1.00 0.00 C ATOM 374 CD2 PHE C 24 31.493 12.410 20.177 1.00 0.00 C ATOM 375 CE1 PHE C 24 30.183 14.211 18.477 1.00 0.00 C ATOM 376 CE2 PHE C 24 30.372 13.116 20.632 1.00 0.00 C ATOM 377 CZ PHE C 24 29.718 14.016 19.783 1.00 0.00 C ATOM 0 H PHE C 24 35.302 11.137 17.363 1.00 0.00 H new ATOM 0 HA PHE C 24 34.014 13.642 17.547 1.00 0.00 H new ATOM 0 HB2 PHE C 24 32.927 11.354 17.423 1.00 0.00 H new ATOM 0 HB3 PHE C 24 33.434 11.062 19.075 1.00 0.00 H new ATOM 0 HD1 PHE C 24 31.662 13.656 17.013 1.00 0.00 H new ATOM 0 HD2 PHE C 24 31.997 11.715 20.832 1.00 0.00 H new ATOM 0 HE1 PHE C 24 29.678 14.905 17.822 1.00 0.00 H new ATOM 0 HE2 PHE C 24 30.012 12.966 21.639 1.00 0.00 H new ATOM 0 HZ PHE C 24 28.854 14.560 20.135 1.00 0.00 H new ATOM 387 N ASP C 25 35.547 12.584 20.273 1.00 0.00 N ATOM 388 CA ASP C 25 36.022 13.007 21.586 1.00 0.00 C ATOM 389 C ASP C 25 36.853 14.283 21.461 1.00 0.00 C ATOM 390 O ASP C 25 36.737 15.196 22.270 1.00 0.00 O ATOM 391 CB ASP C 25 36.857 11.891 22.219 1.00 0.00 C ATOM 392 CG ASP C 25 37.109 12.193 23.692 1.00 0.00 C ATOM 393 OD1 ASP C 25 36.421 13.046 24.227 1.00 0.00 O ATOM 394 OD2 ASP C 25 37.981 11.560 24.264 1.00 0.00 O1- ATOM 0 H ASP C 25 35.857 11.654 19.989 1.00 0.00 H new ATOM 0 HA ASP C 25 35.163 13.214 22.225 1.00 0.00 H new ATOM 0 HB2 ASP C 25 36.338 10.938 22.119 1.00 0.00 H new ATOM 0 HB3 ASP C 25 37.806 11.794 21.693 1.00 0.00 H new ATOM 399 N ILE C 26 37.684 14.346 20.435 1.00 0.00 N ATOM 400 CA ILE C 26 38.500 15.520 20.202 1.00 0.00 C ATOM 401 C ILE C 26 37.638 16.667 19.679 1.00 0.00 C ATOM 402 O ILE C 26 37.829 17.823 20.046 1.00 0.00 O ATOM 403 CB ILE C 26 39.602 15.184 19.213 1.00 0.00 C ATOM 404 CG1 ILE C 26 40.525 14.139 19.843 1.00 0.00 C ATOM 405 CG2 ILE C 26 40.392 16.448 18.913 1.00 0.00 C ATOM 406 CD1 ILE C 26 41.474 13.589 18.782 1.00 0.00 C ATOM 0 H ILE C 26 37.810 13.598 19.752 1.00 0.00 H new ATOM 0 HA ILE C 26 38.953 15.837 21.141 1.00 0.00 H new ATOM 0 HB ILE C 26 39.178 14.790 18.289 1.00 0.00 H new ATOM 0 HG12 ILE C 26 41.094 14.586 20.658 1.00 0.00 H new ATOM 0 HG13 ILE C 26 39.935 13.329 20.273 1.00 0.00 H new ATOM 0 HG21 ILE C 26 41.187 16.220 18.203 1.00 0.00 H new ATOM 0 HG22 ILE C 26 39.728 17.199 18.485 1.00 0.00 H new ATOM 0 HG23 ILE C 26 40.828 16.832 19.835 1.00 0.00 H new ATOM 0 HD11 ILE C 26 42.131 12.845 19.232 1.00 0.00 H new ATOM 0 HD12 ILE C 26 40.896 13.127 17.982 1.00 0.00 H new ATOM 0 HD13 ILE C 26 42.074 14.402 18.373 1.00 0.00 H new ATOM 418 N PHE C 27 36.693 16.341 18.806 1.00 0.00 N ATOM 419 CA PHE C 27 35.814 17.354 18.228 1.00 0.00 C ATOM 420 C PHE C 27 35.117 18.163 19.324 1.00 0.00 C ATOM 421 O PHE C 27 34.918 19.370 19.179 1.00 0.00 O ATOM 422 CB PHE C 27 34.755 16.682 17.353 1.00 0.00 C ATOM 423 CG PHE C 27 34.596 17.464 16.072 1.00 0.00 C ATOM 424 CD1 PHE C 27 33.891 18.674 16.064 1.00 0.00 C ATOM 425 CD2 PHE C 27 35.163 16.975 14.891 1.00 0.00 C ATOM 426 CE1 PHE C 27 33.752 19.393 14.870 1.00 0.00 C ATOM 427 CE2 PHE C 27 35.025 17.692 13.699 1.00 0.00 C ATOM 428 CZ PHE C 27 34.319 18.901 13.688 1.00 0.00 C ATOM 0 H PHE C 27 36.515 15.390 18.483 1.00 0.00 H new ATOM 0 HA PHE C 27 36.423 18.028 17.626 1.00 0.00 H new ATOM 0 HB2 PHE C 27 35.048 15.656 17.132 1.00 0.00 H new ATOM 0 HB3 PHE C 27 33.804 16.635 17.884 1.00 0.00 H new ATOM 0 HD1 PHE C 27 33.455 19.052 16.977 1.00 0.00 H new ATOM 0 HD2 PHE C 27 35.708 16.043 14.900 1.00 0.00 H new ATOM 0 HE1 PHE C 27 33.208 20.326 14.861 1.00 0.00 H new ATOM 0 HE2 PHE C 27 35.463 17.314 12.787 1.00 0.00 H new ATOM 0 HZ PHE C 27 34.212 19.455 12.767 1.00 0.00 H new ATOM 438 N VAL C 28 34.739 17.497 20.413 1.00 0.00 N ATOM 439 CA VAL C 28 34.058 18.177 21.512 1.00 0.00 C ATOM 440 C VAL C 28 35.044 18.955 22.377 1.00 0.00 C ATOM 441 O VAL C 28 34.747 19.287 23.524 1.00 0.00 O ATOM 442 CB VAL C 28 33.285 17.172 22.378 1.00 0.00 C ATOM 443 CG1 VAL C 28 32.173 16.539 21.549 1.00 0.00 C ATOM 444 CG2 VAL C 28 34.220 16.070 22.867 1.00 0.00 C ATOM 0 H VAL C 28 34.890 16.499 20.557 1.00 0.00 H new ATOM 0 HA VAL C 28 33.353 18.883 21.073 1.00 0.00 H new ATOM 0 HB VAL C 28 32.864 17.698 23.235 1.00 0.00 H new ATOM 0 HG11 VAL C 28 31.623 15.825 22.162 1.00 0.00 H new ATOM 0 HG12 VAL C 28 31.493 17.316 21.199 1.00 0.00 H new ATOM 0 HG13 VAL C 28 32.607 16.023 20.692 1.00 0.00 H new ATOM 0 HG21 VAL C 28 33.660 15.363 23.480 1.00 0.00 H new ATOM 0 HG22 VAL C 28 34.647 15.548 22.010 1.00 0.00 H new ATOM 0 HG23 VAL C 28 35.022 16.510 23.460 1.00 0.00 H new ATOM 454 N LEU C 29 36.218 19.242 21.819 1.00 0.00 N ATOM 455 CA LEU C 29 37.242 19.986 22.545 1.00 0.00 C ATOM 456 C LEU C 29 36.632 21.160 23.307 1.00 0.00 C ATOM 457 O LEU C 29 37.040 21.456 24.432 1.00 0.00 O ATOM 458 CB LEU C 29 38.300 20.507 21.564 1.00 0.00 C ATOM 459 CG LEU C 29 37.639 21.411 20.518 1.00 0.00 C ATOM 460 CD1 LEU C 29 37.860 22.886 20.874 1.00 0.00 C ATOM 461 CD2 LEU C 29 38.258 21.127 19.153 1.00 0.00 C ATOM 0 H LEU C 29 36.482 18.972 20.872 1.00 0.00 H new ATOM 0 HA LEU C 29 37.706 19.311 23.264 1.00 0.00 H new ATOM 0 HB2 LEU C 29 39.068 21.061 22.104 1.00 0.00 H new ATOM 0 HB3 LEU C 29 38.797 19.670 21.073 1.00 0.00 H new ATOM 0 HG LEU C 29 36.568 21.208 20.496 1.00 0.00 H new ATOM 0 HD11 LEU C 29 37.385 23.517 20.122 1.00 0.00 H new ATOM 0 HD12 LEU C 29 37.423 23.094 21.851 1.00 0.00 H new ATOM 0 HD13 LEU C 29 38.929 23.097 20.902 1.00 0.00 H new ATOM 0 HD21 LEU C 29 37.793 21.766 18.403 1.00 0.00 H new ATOM 0 HD22 LEU C 29 39.328 21.330 19.190 1.00 0.00 H new ATOM 0 HD23 LEU C 29 38.095 20.082 18.890 1.00 0.00 H new ATOM 473 N GLY C 30 35.670 21.836 22.682 1.00 0.00 N ATOM 474 CA GLY C 30 35.024 22.988 23.303 1.00 0.00 C ATOM 475 C GLY C 30 33.548 22.729 23.597 1.00 0.00 C ATOM 476 O GLY C 30 32.750 23.667 23.633 1.00 0.00 O ATOM 0 H GLY C 30 35.323 21.607 21.751 1.00 0.00 H new ATOM 0 HA2 GLY C 30 35.540 23.236 24.231 1.00 0.00 H new ATOM 0 HA3 GLY C 30 35.116 23.853 22.646 1.00 0.00 H new ATOM 480 N ALA C 31 33.184 21.464 23.804 1.00 0.00 N ATOM 481 CA ALA C 31 31.794 21.123 24.092 1.00 0.00 C ATOM 482 C ALA C 31 31.707 20.157 25.267 1.00 0.00 C ATOM 483 O ALA C 31 31.862 18.947 25.105 1.00 0.00 O ATOM 484 CB ALA C 31 31.144 20.489 22.868 1.00 0.00 C ATOM 0 H ALA C 31 33.823 20.669 23.778 1.00 0.00 H new ATOM 0 HA ALA C 31 31.267 22.042 24.350 1.00 0.00 H new ATOM 0 HB1 ALA C 31 30.108 20.239 23.095 1.00 0.00 H new ATOM 0 HB2 ALA C 31 31.174 21.192 22.035 1.00 0.00 H new ATOM 0 HB3 ALA C 31 31.685 19.582 22.597 1.00 0.00 H new ATOM 490 N GLU C 32 31.448 20.699 26.449 1.00 0.00 N ATOM 491 CA GLU C 32 31.333 19.875 27.641 1.00 0.00 C ATOM 492 C GLU C 32 30.044 19.069 27.609 1.00 0.00 C ATOM 493 O GLU C 32 29.889 18.091 28.340 1.00 0.00 O ATOM 494 CB GLU C 32 31.378 20.751 28.895 1.00 0.00 C ATOM 495 CG GLU C 32 32.796 21.292 29.085 1.00 0.00 C ATOM 496 CD GLU C 32 32.842 22.222 30.292 1.00 0.00 C ATOM 497 OE1 GLU C 32 32.394 23.349 30.163 1.00 0.00 O ATOM 498 OE2 GLU C 32 33.321 21.793 31.328 1.00 0.00 O1- ATOM 0 H GLU C 32 31.315 21.698 26.606 1.00 0.00 H new ATOM 0 HA GLU C 32 32.174 19.182 27.666 1.00 0.00 H new ATOM 0 HB2 GLU C 32 30.672 21.576 28.802 1.00 0.00 H new ATOM 0 HB3 GLU C 32 31.078 20.172 29.768 1.00 0.00 H new ATOM 0 HG2 GLU C 32 33.493 20.466 29.225 1.00 0.00 H new ATOM 0 HG3 GLU C 32 33.112 21.828 28.190 1.00 0.00 H new ATOM 505 N ASP C 33 29.125 19.488 26.754 1.00 0.00 N ATOM 506 CA ASP C 33 27.847 18.801 26.626 1.00 0.00 C ATOM 507 C ASP C 33 28.012 17.489 25.862 1.00 0.00 C ATOM 508 O ASP C 33 27.134 16.627 25.900 1.00 0.00 O ATOM 509 CB ASP C 33 26.840 19.693 25.902 1.00 0.00 C ATOM 510 CG ASP C 33 26.446 20.861 26.800 1.00 0.00 C ATOM 511 OD1 ASP C 33 26.743 20.801 27.982 1.00 0.00 O ATOM 512 OD2 ASP C 33 25.856 21.800 26.292 1.00 0.00 O1- ATOM 0 H ASP C 33 29.237 20.295 26.141 1.00 0.00 H new ATOM 0 HA ASP C 33 27.478 18.579 27.627 1.00 0.00 H new ATOM 0 HB2 ASP C 33 27.272 20.066 24.973 1.00 0.00 H new ATOM 0 HB3 ASP C 33 25.956 19.115 25.633 1.00 0.00 H new ATOM 517 N GLY C 34 29.137 17.340 25.164 1.00 0.00 N ATOM 518 CA GLY C 34 29.379 16.122 24.401 1.00 0.00 C ATOM 519 C GLY C 34 28.699 16.190 23.039 1.00 0.00 C ATOM 520 O GLY C 34 28.486 15.168 22.388 1.00 0.00 O ATOM 0 H GLY C 34 29.882 18.035 25.112 1.00 0.00 H new ATOM 0 HA2 GLY C 34 30.451 15.977 24.270 1.00 0.00 H new ATOM 0 HA3 GLY C 34 29.007 15.261 24.955 1.00 0.00 H new ATOM 524 N CYS C 35 28.366 17.405 22.611 1.00 0.00 N ATOM 525 CA CYS C 35 27.716 17.591 21.316 1.00 0.00 C ATOM 526 C CYS C 35 28.303 18.805 20.601 1.00 0.00 C ATOM 527 O CYS C 35 28.881 19.688 21.228 1.00 0.00 O ATOM 528 CB CYS C 35 26.208 17.784 21.510 1.00 0.00 C ATOM 529 SG CYS C 35 25.901 19.330 22.397 1.00 0.00 S ATOM 0 H CYS C 35 28.532 18.265 23.133 1.00 0.00 H new ATOM 0 HA CYS C 35 27.889 16.703 20.707 1.00 0.00 H new ATOM 0 HB2 CYS C 35 25.706 17.803 20.542 1.00 0.00 H new ATOM 0 HB3 CYS C 35 25.793 16.945 22.068 1.00 0.00 H new ATOM 0 HG CYS C 35 24.621 19.491 22.558 1.00 0.00 H new ATOM 535 N ILE C 36 28.160 18.838 19.280 1.00 0.00 N ATOM 536 CA ILE C 36 28.695 19.943 18.492 1.00 0.00 C ATOM 537 C ILE C 36 27.583 20.929 18.157 1.00 0.00 C ATOM 538 O ILE C 36 26.520 20.544 17.672 1.00 0.00 O ATOM 539 CB ILE C 36 29.291 19.405 17.187 1.00 0.00 C ATOM 540 CG1 ILE C 36 29.786 17.960 17.380 1.00 0.00 C ATOM 541 CG2 ILE C 36 30.454 20.296 16.744 1.00 0.00 C ATOM 542 CD1 ILE C 36 30.731 17.853 18.581 1.00 0.00 C ATOM 0 H ILE C 36 27.683 18.119 18.736 1.00 0.00 H new ATOM 0 HA ILE C 36 29.468 20.447 19.072 1.00 0.00 H new ATOM 0 HB ILE C 36 28.518 19.411 16.419 1.00 0.00 H new ATOM 0 HG12 ILE C 36 28.933 17.297 17.525 1.00 0.00 H new ATOM 0 HG13 ILE C 36 30.300 17.626 16.479 1.00 0.00 H new ATOM 0 HG21 ILE C 36 30.875 19.910 15.816 1.00 0.00 H new ATOM 0 HG22 ILE C 36 30.093 21.312 16.584 1.00 0.00 H new ATOM 0 HG23 ILE C 36 31.223 20.301 17.516 1.00 0.00 H new ATOM 0 HD11 ILE C 36 31.064 16.821 18.691 1.00 0.00 H new ATOM 0 HD12 ILE C 36 31.595 18.498 18.422 1.00 0.00 H new ATOM 0 HD13 ILE C 36 30.207 18.164 19.485 1.00 0.00 H new ATOM 554 N SER C 37 27.840 22.202 18.420 1.00 0.00 N ATOM 555 CA SER C 37 26.866 23.246 18.147 1.00 0.00 C ATOM 556 C SER C 37 27.564 24.455 17.551 1.00 0.00 C ATOM 557 O SER C 37 28.780 24.454 17.385 1.00 0.00 O ATOM 558 CB SER C 37 26.153 23.641 19.439 1.00 0.00 C ATOM 559 OG SER C 37 25.176 24.634 19.159 1.00 0.00 O ATOM 0 H SER C 37 28.716 22.536 18.822 1.00 0.00 H new ATOM 0 HA SER C 37 26.130 22.872 17.435 1.00 0.00 H new ATOM 0 HB2 SER C 37 25.680 22.767 19.887 1.00 0.00 H new ATOM 0 HB3 SER C 37 26.874 24.020 20.163 1.00 0.00 H new ATOM 0 HG SER C 37 24.718 24.885 19.988 1.00 0.00 H new ATOM 565 N THR C 38 26.790 25.483 17.230 1.00 0.00 N ATOM 566 CA THR C 38 27.350 26.689 16.645 1.00 0.00 C ATOM 567 C THR C 38 28.397 27.289 17.573 1.00 0.00 C ATOM 568 O THR C 38 29.315 27.976 17.125 1.00 0.00 O ATOM 569 CB THR C 38 26.230 27.702 16.402 1.00 0.00 C ATOM 570 OG1 THR C 38 25.568 27.972 17.629 1.00 0.00 O ATOM 571 CG2 THR C 38 25.230 27.135 15.392 1.00 0.00 C ATOM 0 H THR C 38 25.779 25.504 17.365 1.00 0.00 H new ATOM 0 HA THR C 38 27.827 26.438 15.698 1.00 0.00 H new ATOM 0 HB THR C 38 26.654 28.624 16.005 1.00 0.00 H new ATOM 0 HG1 THR C 38 24.851 28.622 17.477 1.00 0.00 H new ATOM 0 HG21 THR C 38 24.434 27.860 15.222 1.00 0.00 H new ATOM 0 HG22 THR C 38 25.740 26.929 14.451 1.00 0.00 H new ATOM 0 HG23 THR C 38 24.802 26.212 15.783 1.00 0.00 H new ATOM 579 N LYS C 39 28.260 27.023 18.867 1.00 0.00 N ATOM 580 CA LYS C 39 29.210 27.542 19.842 1.00 0.00 C ATOM 581 C LYS C 39 30.594 26.931 19.619 1.00 0.00 C ATOM 582 O LYS C 39 31.573 27.653 19.423 1.00 0.00 O ATOM 583 CB LYS C 39 28.724 27.214 21.260 1.00 0.00 C ATOM 584 CG LYS C 39 28.961 28.406 22.196 1.00 0.00 C ATOM 585 CD LYS C 39 30.464 28.632 22.374 1.00 0.00 C ATOM 586 CE LYS C 39 30.689 29.845 23.278 1.00 0.00 C ATOM 587 NZ LYS C 39 30.030 29.605 24.593 1.00 0.00 N1+ ATOM 0 H LYS C 39 27.509 26.457 19.262 1.00 0.00 H new ATOM 0 HA LYS C 39 29.281 28.623 19.720 1.00 0.00 H new ATOM 0 HB2 LYS C 39 27.663 26.965 21.239 1.00 0.00 H new ATOM 0 HB3 LYS C 39 29.250 26.337 21.638 1.00 0.00 H new ATOM 0 HG2 LYS C 39 28.495 29.302 21.785 1.00 0.00 H new ATOM 0 HG3 LYS C 39 28.495 28.219 23.163 1.00 0.00 H new ATOM 0 HD2 LYS C 39 30.927 27.747 22.811 1.00 0.00 H new ATOM 0 HD3 LYS C 39 30.936 28.793 21.405 1.00 0.00 H new ATOM 0 HE2 LYS C 39 31.756 30.016 23.418 1.00 0.00 H new ATOM 0 HE3 LYS C 39 30.281 30.742 22.812 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 30.444 30.235 25.309 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 29.011 29.796 24.511 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 30.174 28.615 24.878 1.00 0.00 H new ATOM 601 N GLU C 40 30.678 25.601 19.656 1.00 0.00 N ATOM 602 CA GLU C 40 31.959 24.933 19.457 1.00 0.00 C ATOM 603 C GLU C 40 32.470 25.134 18.034 1.00 0.00 C ATOM 604 O GLU C 40 33.665 25.329 17.814 1.00 0.00 O ATOM 605 CB GLU C 40 31.824 23.444 19.760 1.00 0.00 C ATOM 606 CG GLU C 40 33.187 22.771 19.606 1.00 0.00 C ATOM 607 CD GLU C 40 33.126 21.359 20.172 1.00 0.00 C ATOM 608 OE1 GLU C 40 33.394 21.206 21.352 1.00 0.00 O ATOM 609 OE2 GLU C 40 32.805 20.454 19.421 1.00 0.00 O1- ATOM 0 H GLU C 40 29.888 24.976 19.819 1.00 0.00 H new ATOM 0 HA GLU C 40 32.683 25.375 20.142 1.00 0.00 H new ATOM 0 HB2 GLU C 40 31.447 23.300 20.773 1.00 0.00 H new ATOM 0 HB3 GLU C 40 31.102 22.988 19.083 1.00 0.00 H new ATOM 0 HG2 GLU C 40 33.472 22.740 18.554 1.00 0.00 H new ATOM 0 HG3 GLU C 40 33.950 23.350 20.126 1.00 0.00 H new ATOM 616 N LEU C 41 31.557 25.076 17.069 1.00 0.00 N ATOM 617 CA LEU C 41 31.924 25.246 15.671 1.00 0.00 C ATOM 618 C LEU C 41 32.618 26.582 15.456 1.00 0.00 C ATOM 619 O LEU C 41 33.483 26.711 14.589 1.00 0.00 O ATOM 620 CB LEU C 41 30.671 25.185 14.789 1.00 0.00 C ATOM 621 CG LEU C 41 30.900 24.207 13.634 1.00 0.00 C ATOM 622 CD1 LEU C 41 31.052 22.785 14.178 1.00 0.00 C ATOM 623 CD2 LEU C 41 29.711 24.245 12.669 1.00 0.00 C ATOM 0 H LEU C 41 30.563 24.913 17.230 1.00 0.00 H new ATOM 0 HA LEU C 41 32.607 24.441 15.399 1.00 0.00 H new ATOM 0 HB2 LEU C 41 29.813 24.868 15.381 1.00 0.00 H new ATOM 0 HB3 LEU C 41 30.441 26.176 14.399 1.00 0.00 H new ATOM 0 HG LEU C 41 31.808 24.499 13.106 1.00 0.00 H new ATOM 0 HD11 LEU C 41 31.215 22.094 13.351 1.00 0.00 H new ATOM 0 HD12 LEU C 41 31.903 22.744 14.857 1.00 0.00 H new ATOM 0 HD13 LEU C 41 30.146 22.502 14.714 1.00 0.00 H new ATOM 0 HD21 LEU C 41 29.884 23.546 11.851 1.00 0.00 H new ATOM 0 HD22 LEU C 41 28.802 23.964 13.201 1.00 0.00 H new ATOM 0 HD23 LEU C 41 29.600 25.252 12.268 1.00 0.00 H new ATOM 635 N GLY C 42 32.231 27.576 16.240 1.00 0.00 N ATOM 636 CA GLY C 42 32.821 28.896 16.110 1.00 0.00 C ATOM 637 C GLY C 42 34.321 28.856 16.374 1.00 0.00 C ATOM 638 O GLY C 42 35.094 29.526 15.689 1.00 0.00 O ATOM 0 H GLY C 42 31.518 27.494 16.965 1.00 0.00 H new ATOM 0 HA2 GLY C 42 32.635 29.283 15.108 1.00 0.00 H new ATOM 0 HA3 GLY C 42 32.344 29.581 16.810 1.00 0.00 H new ATOM 642 N LYS C 43 34.731 28.073 17.367 1.00 0.00 N ATOM 643 CA LYS C 43 36.146 27.971 17.699 1.00 0.00 C ATOM 644 C LYS C 43 36.891 27.193 16.626 1.00 0.00 C ATOM 645 O LYS C 43 38.003 27.549 16.233 1.00 0.00 O ATOM 646 CB LYS C 43 36.307 27.279 19.052 1.00 0.00 C ATOM 647 CG LYS C 43 35.746 28.185 20.150 1.00 0.00 C ATOM 648 CD LYS C 43 36.035 27.574 21.523 1.00 0.00 C ATOM 649 CE LYS C 43 37.380 28.091 22.038 1.00 0.00 C ATOM 650 NZ LYS C 43 37.258 29.539 22.370 1.00 0.00 N1+ ATOM 0 H LYS C 43 34.112 27.507 17.948 1.00 0.00 H new ATOM 0 HA LYS C 43 36.568 28.975 17.753 1.00 0.00 H new ATOM 0 HB2 LYS C 43 35.783 26.323 19.050 1.00 0.00 H new ATOM 0 HB3 LYS C 43 37.359 27.066 19.242 1.00 0.00 H new ATOM 0 HG2 LYS C 43 36.194 29.176 20.081 1.00 0.00 H new ATOM 0 HG3 LYS C 43 34.672 28.311 20.017 1.00 0.00 H new ATOM 0 HD2 LYS C 43 35.241 27.834 22.223 1.00 0.00 H new ATOM 0 HD3 LYS C 43 36.054 26.486 21.452 1.00 0.00 H new ATOM 0 HE2 LYS C 43 37.685 27.528 22.920 1.00 0.00 H new ATOM 0 HE3 LYS C 43 38.152 27.943 21.283 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 37.962 30.080 21.828 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 36.303 29.872 22.127 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 37.424 29.677 23.387 1.00 0.00 H new ATOM 664 N VAL C 44 36.259 26.129 16.154 1.00 0.00 N ATOM 665 CA VAL C 44 36.850 25.292 15.122 1.00 0.00 C ATOM 666 C VAL C 44 37.009 26.077 13.830 1.00 0.00 C ATOM 667 O VAL C 44 38.040 25.998 13.162 1.00 0.00 O ATOM 668 CB VAL C 44 35.951 24.090 14.868 1.00 0.00 C ATOM 669 CG1 VAL C 44 36.465 23.316 13.655 1.00 0.00 C ATOM 670 CG2 VAL C 44 35.959 23.177 16.096 1.00 0.00 C ATOM 0 H VAL C 44 35.338 25.825 16.469 1.00 0.00 H new ATOM 0 HA VAL C 44 37.832 24.959 15.460 1.00 0.00 H new ATOM 0 HB VAL C 44 34.934 24.432 14.677 1.00 0.00 H new ATOM 0 HG11 VAL C 44 35.821 22.455 13.473 1.00 0.00 H new ATOM 0 HG12 VAL C 44 36.459 23.965 12.780 1.00 0.00 H new ATOM 0 HG13 VAL C 44 37.482 22.974 13.846 1.00 0.00 H new ATOM 0 HG21 VAL C 44 35.315 22.317 15.914 1.00 0.00 H new ATOM 0 HG22 VAL C 44 36.976 22.835 16.289 1.00 0.00 H new ATOM 0 HG23 VAL C 44 35.592 23.728 16.962 1.00 0.00 H new ATOM 680 N MET C 45 35.972 26.824 13.475 1.00 0.00 N ATOM 681 CA MET C 45 36.009 27.607 12.254 1.00 0.00 C ATOM 682 C MET C 45 37.112 28.649 12.315 1.00 0.00 C ATOM 683 O MET C 45 37.797 28.896 11.323 1.00 0.00 O ATOM 684 CB MET C 45 34.665 28.289 12.011 1.00 0.00 C ATOM 685 CG MET C 45 33.641 27.245 11.572 1.00 0.00 C ATOM 686 SD MET C 45 34.034 26.703 9.888 1.00 0.00 S ATOM 687 CE MET C 45 32.875 25.320 9.810 1.00 0.00 C ATOM 0 H MET C 45 35.107 26.902 14.009 1.00 0.00 H new ATOM 0 HA MET C 45 36.215 26.928 11.427 1.00 0.00 H new ATOM 0 HB2 MET C 45 34.327 28.787 12.920 1.00 0.00 H new ATOM 0 HB3 MET C 45 34.768 29.058 11.246 1.00 0.00 H new ATOM 0 HG2 MET C 45 33.655 26.395 12.254 1.00 0.00 H new ATOM 0 HG3 MET C 45 32.636 27.666 11.607 1.00 0.00 H new ATOM 0 HE1 MET C 45 32.953 24.835 8.837 1.00 0.00 H new ATOM 0 HE2 MET C 45 33.113 24.601 10.594 1.00 0.00 H new ATOM 0 HE3 MET C 45 31.859 25.688 9.952 1.00 0.00 H new ATOM 697 N ARG C 46 37.283 29.255 13.483 1.00 0.00 N ATOM 698 CA ARG C 46 38.315 30.267 13.655 1.00 0.00 C ATOM 699 C ARG C 46 39.693 29.679 13.371 1.00 0.00 C ATOM 700 O ARG C 46 40.528 30.318 12.733 1.00 0.00 O ATOM 701 CB ARG C 46 38.277 30.822 15.080 1.00 0.00 C ATOM 702 CG ARG C 46 37.285 31.985 15.160 1.00 0.00 C ATOM 703 CD ARG C 46 37.248 32.528 16.592 1.00 0.00 C ATOM 704 NE ARG C 46 35.911 32.382 17.156 1.00 0.00 N ATOM 705 CZ ARG C 46 35.598 32.929 18.327 1.00 0.00 C ATOM 706 NH1 ARG C 46 36.497 33.595 18.999 1.00 0.00 N ATOM 707 NH2 ARG C 46 34.389 32.800 18.804 1.00 0.00 N1+ ATOM 0 H ARG C 46 36.727 29.066 14.317 1.00 0.00 H new ATOM 0 HA ARG C 46 38.124 31.075 12.949 1.00 0.00 H new ATOM 0 HB2 ARG C 46 37.987 30.037 15.778 1.00 0.00 H new ATOM 0 HB3 ARG C 46 39.271 31.159 15.375 1.00 0.00 H new ATOM 0 HG2 ARG C 46 37.578 32.775 14.468 1.00 0.00 H new ATOM 0 HG3 ARG C 46 36.292 31.651 14.861 1.00 0.00 H new ATOM 0 HD2 ARG C 46 37.970 31.994 17.209 1.00 0.00 H new ATOM 0 HD3 ARG C 46 37.539 33.578 16.597 1.00 0.00 H new ATOM 0 HE ARG C 46 35.205 31.852 16.644 1.00 0.00 H new ATOM 0 HH11 ARG C 46 37.441 33.696 18.626 1.00 0.00 H new ATOM 0 HH12 ARG C 46 36.256 34.014 19.897 1.00 0.00 H new ATOM 0 HH21 ARG C 46 33.686 32.280 18.278 1.00 0.00 H new ATOM 0 HH22 ARG C 46 34.148 33.219 19.702 1.00 0.00 H new ATOM 721 N MET C 47 39.920 28.459 13.837 1.00 0.00 N ATOM 722 CA MET C 47 41.196 27.796 13.619 1.00 0.00 C ATOM 723 C MET C 47 41.432 27.584 12.129 1.00 0.00 C ATOM 724 O MET C 47 42.552 27.720 11.637 1.00 0.00 O ATOM 725 CB MET C 47 41.213 26.456 14.351 1.00 0.00 C ATOM 726 CG MET C 47 42.622 25.865 14.317 1.00 0.00 C ATOM 727 SD MET C 47 43.728 26.878 15.332 1.00 0.00 S ATOM 728 CE MET C 47 45.238 25.920 15.054 1.00 0.00 C ATOM 0 H MET C 47 39.241 27.911 14.365 1.00 0.00 H new ATOM 0 HA MET C 47 41.995 28.426 14.011 1.00 0.00 H new ATOM 0 HB2 MET C 47 40.890 26.591 15.383 1.00 0.00 H new ATOM 0 HB3 MET C 47 40.509 25.767 13.884 1.00 0.00 H new ATOM 0 HG2 MET C 47 42.607 24.840 14.689 1.00 0.00 H new ATOM 0 HG3 MET C 47 42.987 25.826 13.291 1.00 0.00 H new ATOM 0 HE1 MET C 47 46.064 26.377 15.599 1.00 0.00 H new ATOM 0 HE2 MET C 47 45.091 24.899 15.406 1.00 0.00 H new ATOM 0 HE3 MET C 47 45.469 25.906 13.989 1.00 0.00 H new ATOM 738 N LEU C 48 40.364 27.249 11.420 1.00 0.00 N ATOM 739 CA LEU C 48 40.444 27.012 9.981 1.00 0.00 C ATOM 740 C LEU C 48 40.817 28.298 9.247 1.00 0.00 C ATOM 741 O LEU C 48 41.340 28.255 8.132 1.00 0.00 O ATOM 742 CB LEU C 48 39.103 26.492 9.454 1.00 0.00 C ATOM 743 CG LEU C 48 38.815 25.099 10.028 1.00 0.00 C ATOM 744 CD1 LEU C 48 37.412 24.658 9.606 1.00 0.00 C ATOM 745 CD2 LEU C 48 39.841 24.082 9.507 1.00 0.00 C ATOM 0 H LEU C 48 39.431 27.134 11.815 1.00 0.00 H new ATOM 0 HA LEU C 48 41.216 26.264 9.800 1.00 0.00 H new ATOM 0 HB2 LEU C 48 38.304 27.180 9.730 1.00 0.00 H new ATOM 0 HB3 LEU C 48 39.124 26.448 8.365 1.00 0.00 H new ATOM 0 HG LEU C 48 38.882 25.146 11.115 1.00 0.00 H new ATOM 0 HD11 LEU C 48 37.204 23.668 10.012 1.00 0.00 H new ATOM 0 HD12 LEU C 48 36.678 25.368 9.986 1.00 0.00 H new ATOM 0 HD13 LEU C 48 37.353 24.623 8.518 1.00 0.00 H new ATOM 0 HD21 LEU C 48 39.623 23.099 9.924 1.00 0.00 H new ATOM 0 HD22 LEU C 48 39.787 24.035 8.419 1.00 0.00 H new ATOM 0 HD23 LEU C 48 40.843 24.389 9.808 1.00 0.00 H new ATOM 757 N GLY C 49 40.545 29.442 9.873 1.00 0.00 N ATOM 758 CA GLY C 49 40.861 30.728 9.258 1.00 0.00 C ATOM 759 C GLY C 49 39.607 31.403 8.710 1.00 0.00 C ATOM 760 O GLY C 49 39.689 32.276 7.847 1.00 0.00 O ATOM 0 H GLY C 49 40.112 29.504 10.794 1.00 0.00 H new ATOM 0 HA2 GLY C 49 41.335 31.378 9.993 1.00 0.00 H new ATOM 0 HA3 GLY C 49 41.580 30.581 8.452 1.00 0.00 H new ATOM 764 N GLN C 50 38.449 30.988 9.220 1.00 0.00 N ATOM 765 CA GLN C 50 37.175 31.553 8.781 1.00 0.00 C ATOM 766 C GLN C 50 36.421 32.151 9.965 1.00 0.00 C ATOM 767 O GLN C 50 36.481 31.631 11.078 1.00 0.00 O ATOM 768 CB GLN C 50 36.319 30.464 8.131 1.00 0.00 C ATOM 769 CG GLN C 50 37.041 29.904 6.903 1.00 0.00 C ATOM 770 CD GLN C 50 37.189 30.990 5.843 1.00 0.00 C ATOM 771 OE1 GLN C 50 38.303 31.409 5.532 1.00 0.00 O ATOM 772 NE2 GLN C 50 36.122 31.470 5.263 1.00 0.00 N ATOM 0 H GLN C 50 38.367 30.265 9.935 1.00 0.00 H new ATOM 0 HA GLN C 50 37.378 32.340 8.055 1.00 0.00 H new ATOM 0 HB2 GLN C 50 36.125 29.665 8.847 1.00 0.00 H new ATOM 0 HB3 GLN C 50 35.351 30.873 7.841 1.00 0.00 H new ATOM 0 HG2 GLN C 50 38.023 29.528 7.189 1.00 0.00 H new ATOM 0 HG3 GLN C 50 36.483 29.061 6.496 1.00 0.00 H new ATOM 0 HE21 GLN C 50 35.200 31.121 5.523 1.00 0.00 H new ATOM 0 HE22 GLN C 50 36.211 32.194 4.550 1.00 0.00 H new ATOM 781 N ASN C 51 35.712 33.246 9.710 1.00 0.00 N ATOM 782 CA ASN C 51 34.944 33.917 10.753 1.00 0.00 C ATOM 783 C ASN C 51 33.518 34.176 10.282 1.00 0.00 C ATOM 784 O ASN C 51 33.129 35.319 10.044 1.00 0.00 O ATOM 785 CB ASN C 51 35.614 35.242 11.123 1.00 0.00 C ATOM 786 CG ASN C 51 37.015 34.977 11.665 1.00 0.00 C ATOM 787 OD1 ASN C 51 37.260 33.932 12.268 1.00 0.00 O ATOM 788 ND2 ASN C 51 37.957 35.863 11.483 1.00 0.00 N ATOM 0 H ASN C 51 35.653 33.687 8.792 1.00 0.00 H new ATOM 0 HA ASN C 51 34.912 33.271 11.630 1.00 0.00 H new ATOM 0 HB2 ASN C 51 35.669 35.890 10.248 1.00 0.00 H new ATOM 0 HB3 ASN C 51 35.018 35.766 11.870 1.00 0.00 H new ATOM 0 HD21 ASN C 51 38.896 35.689 11.841 1.00 0.00 H new ATOM 0 HD22 ASN C 51 37.753 36.729 10.983 1.00 0.00 H new ATOM 795 N PRO C 52 32.737 33.138 10.152 1.00 0.00 N ATOM 796 CA PRO C 52 31.321 33.242 9.708 1.00 0.00 C ATOM 797 C PRO C 52 30.428 33.771 10.823 1.00 0.00 C ATOM 798 O PRO C 52 30.920 34.288 11.827 1.00 0.00 O ATOM 799 CB PRO C 52 30.948 31.811 9.333 1.00 0.00 C ATOM 800 CG PRO C 52 31.835 30.948 10.165 1.00 0.00 C ATOM 801 CD PRO C 52 33.117 31.739 10.419 1.00 0.00 C ATOM 0 HA PRO C 52 31.193 33.939 8.880 1.00 0.00 H new ATOM 0 HB2 PRO C 52 29.897 31.611 9.539 1.00 0.00 H new ATOM 0 HB3 PRO C 52 31.105 31.628 8.270 1.00 0.00 H new ATOM 0 HG2 PRO C 52 31.349 30.689 11.106 1.00 0.00 H new ATOM 0 HG3 PRO C 52 32.055 30.012 9.651 1.00 0.00 H new ATOM 0 HD2 PRO C 52 33.468 31.610 11.443 1.00 0.00 H new ATOM 0 HD3 PRO C 52 33.923 31.413 9.762 1.00 0.00 H new ATOM 809 N THR C 53 29.122 33.640 10.636 1.00 0.00 N ATOM 810 CA THR C 53 28.165 34.111 11.628 1.00 0.00 C ATOM 811 C THR C 53 27.290 32.961 12.146 1.00 0.00 C ATOM 812 O THR C 53 27.064 31.985 11.427 1.00 0.00 O ATOM 813 CB THR C 53 27.282 35.204 11.013 1.00 0.00 C ATOM 814 OG1 THR C 53 26.818 34.781 9.736 1.00 0.00 O ATOM 815 CG2 THR C 53 28.091 36.492 10.874 1.00 0.00 C ATOM 0 H THR C 53 28.702 33.213 9.810 1.00 0.00 H new ATOM 0 HA THR C 53 28.720 34.519 12.473 1.00 0.00 H new ATOM 0 HB THR C 53 26.424 35.387 11.660 1.00 0.00 H new ATOM 0 HG1 THR C 53 26.253 35.480 9.345 1.00 0.00 H new ATOM 0 HG21 THR C 53 27.465 37.270 10.437 1.00 0.00 H new ATOM 0 HG22 THR C 53 28.435 36.813 11.857 1.00 0.00 H new ATOM 0 HG23 THR C 53 28.951 36.314 10.229 1.00 0.00 H new ATOM 823 N PRO C 54 26.786 33.048 13.366 1.00 0.00 N ATOM 824 CA PRO C 54 25.908 31.981 13.940 1.00 0.00 C ATOM 825 C PRO C 54 24.801 31.558 12.976 1.00 0.00 C ATOM 826 O PRO C 54 24.474 30.378 12.876 1.00 0.00 O ATOM 827 CB PRO C 54 25.284 32.652 15.165 1.00 0.00 C ATOM 828 CG PRO C 54 26.279 33.666 15.607 1.00 0.00 C ATOM 829 CD PRO C 54 27.006 34.144 14.341 1.00 0.00 C ATOM 0 HA PRO C 54 26.473 31.075 14.161 1.00 0.00 H new ATOM 0 HB2 PRO C 54 24.331 33.119 14.915 1.00 0.00 H new ATOM 0 HB3 PRO C 54 25.086 31.926 15.953 1.00 0.00 H new ATOM 0 HG2 PRO C 54 25.787 34.499 16.110 1.00 0.00 H new ATOM 0 HG3 PRO C 54 26.983 33.235 16.319 1.00 0.00 H new ATOM 0 HD2 PRO C 54 26.599 35.088 13.979 1.00 0.00 H new ATOM 0 HD3 PRO C 54 28.068 34.306 14.527 1.00 0.00 H new ATOM 837 N GLU C 55 24.223 32.530 12.277 1.00 0.00 N ATOM 838 CA GLU C 55 23.148 32.238 11.333 1.00 0.00 C ATOM 839 C GLU C 55 23.627 31.307 10.223 1.00 0.00 C ATOM 840 O GLU C 55 22.929 30.371 9.837 1.00 0.00 O ATOM 841 CB GLU C 55 22.626 33.534 10.713 1.00 0.00 C ATOM 842 CG GLU C 55 23.777 34.527 10.568 1.00 0.00 C ATOM 843 CD GLU C 55 23.398 35.636 9.592 1.00 0.00 C ATOM 844 OE1 GLU C 55 23.290 35.348 8.412 1.00 0.00 O ATOM 845 OE2 GLU C 55 23.224 36.757 10.040 1.00 0.00 O1- ATOM 0 H GLU C 55 24.476 33.516 12.344 1.00 0.00 H new ATOM 0 HA GLU C 55 22.347 31.743 11.883 1.00 0.00 H new ATOM 0 HB2 GLU C 55 22.182 33.331 9.739 1.00 0.00 H new ATOM 0 HB3 GLU C 55 21.841 33.959 11.339 1.00 0.00 H new ATOM 0 HG2 GLU C 55 24.021 34.956 11.540 1.00 0.00 H new ATOM 0 HG3 GLU C 55 24.669 34.011 10.214 1.00 0.00 H new ATOM 852 N GLU C 56 24.821 31.579 9.717 1.00 0.00 N ATOM 853 CA GLU C 56 25.405 30.772 8.647 1.00 0.00 C ATOM 854 C GLU C 56 25.672 29.364 9.133 1.00 0.00 C ATOM 855 O GLU C 56 25.445 28.386 8.418 1.00 0.00 O ATOM 856 CB GLU C 56 26.731 31.393 8.214 1.00 0.00 C ATOM 857 CG GLU C 56 26.465 32.724 7.524 1.00 0.00 C ATOM 858 CD GLU C 56 26.067 32.498 6.070 1.00 0.00 C ATOM 859 OE1 GLU C 56 25.934 31.349 5.681 1.00 0.00 O ATOM 860 OE2 GLU C 56 25.918 33.479 5.359 1.00 0.00 O1- ATOM 0 H GLU C 56 25.408 32.353 10.028 1.00 0.00 H new ATOM 0 HA GLU C 56 24.705 30.741 7.812 1.00 0.00 H new ATOM 0 HB2 GLU C 56 27.375 31.542 9.080 1.00 0.00 H new ATOM 0 HB3 GLU C 56 27.257 30.719 7.538 1.00 0.00 H new ATOM 0 HG2 GLU C 56 25.672 33.259 8.046 1.00 0.00 H new ATOM 0 HG3 GLU C 56 27.356 33.350 7.571 1.00 0.00 H new ATOM 867 N LEU C 57 26.172 29.276 10.355 1.00 0.00 N ATOM 868 CA LEU C 57 26.491 27.986 10.947 1.00 0.00 C ATOM 869 C LEU C 57 25.221 27.191 11.187 1.00 0.00 C ATOM 870 O LEU C 57 25.191 25.976 10.993 1.00 0.00 O ATOM 871 CB LEU C 57 27.231 28.173 12.276 1.00 0.00 C ATOM 872 CG LEU C 57 28.542 28.933 12.046 1.00 0.00 C ATOM 873 CD1 LEU C 57 29.258 29.133 13.385 1.00 0.00 C ATOM 874 CD2 LEU C 57 29.450 28.141 11.104 1.00 0.00 C ATOM 0 H LEU C 57 26.365 30.078 10.954 1.00 0.00 H new ATOM 0 HA LEU C 57 27.134 27.443 10.254 1.00 0.00 H new ATOM 0 HB2 LEU C 57 26.602 28.721 12.977 1.00 0.00 H new ATOM 0 HB3 LEU C 57 27.438 27.202 12.726 1.00 0.00 H new ATOM 0 HG LEU C 57 28.316 29.901 11.598 1.00 0.00 H new ATOM 0 HD11 LEU C 57 30.190 29.673 13.222 1.00 0.00 H new ATOM 0 HD12 LEU C 57 28.619 29.706 14.057 1.00 0.00 H new ATOM 0 HD13 LEU C 57 29.475 28.162 13.830 1.00 0.00 H new ATOM 0 HD21 LEU C 57 30.379 28.690 10.947 1.00 0.00 H new ATOM 0 HD22 LEU C 57 29.673 27.169 11.545 1.00 0.00 H new ATOM 0 HD23 LEU C 57 28.947 27.999 10.148 1.00 0.00 H new ATOM 886 N GLN C 58 24.177 27.885 11.614 1.00 0.00 N ATOM 887 CA GLN C 58 22.907 27.228 11.884 1.00 0.00 C ATOM 888 C GLN C 58 22.328 26.643 10.601 1.00 0.00 C ATOM 889 O GLN C 58 21.791 25.537 10.599 1.00 0.00 O ATOM 890 CB GLN C 58 21.919 28.225 12.503 1.00 0.00 C ATOM 891 CG GLN C 58 20.664 27.492 12.988 1.00 0.00 C ATOM 892 CD GLN C 58 20.409 27.819 14.456 1.00 0.00 C ATOM 893 OE1 GLN C 58 20.005 28.935 14.784 1.00 0.00 O ATOM 894 NE2 GLN C 58 20.632 26.911 15.369 1.00 0.00 N ATOM 0 H GLN C 58 24.182 28.891 11.780 1.00 0.00 H new ATOM 0 HA GLN C 58 23.078 26.416 12.590 1.00 0.00 H new ATOM 0 HB2 GLN C 58 22.390 28.746 13.337 1.00 0.00 H new ATOM 0 HB3 GLN C 58 21.646 28.982 11.768 1.00 0.00 H new ATOM 0 HG2 GLN C 58 19.804 27.786 12.386 1.00 0.00 H new ATOM 0 HG3 GLN C 58 20.788 26.416 12.862 1.00 0.00 H new ATOM 0 HE21 GLN C 58 20.967 25.986 15.098 1.00 0.00 H new ATOM 0 HE22 GLN C 58 20.471 27.127 16.353 1.00 0.00 H new ATOM 903 N GLU C 59 22.441 27.392 9.510 1.00 0.00 N ATOM 904 CA GLU C 59 21.924 26.937 8.231 1.00 0.00 C ATOM 905 C GLU C 59 22.625 25.655 7.784 1.00 0.00 C ATOM 906 O GLU C 59 21.979 24.717 7.316 1.00 0.00 O ATOM 907 CB GLU C 59 22.122 28.036 7.185 1.00 0.00 C ATOM 908 CG GLU C 59 21.522 27.591 5.853 1.00 0.00 C ATOM 909 CD GLU C 59 21.645 28.706 4.821 1.00 0.00 C ATOM 910 OE1 GLU C 59 22.188 29.744 5.159 1.00 0.00 O ATOM 911 OE2 GLU C 59 21.191 28.506 3.705 1.00 0.00 O1- ATOM 0 H GLU C 59 22.884 28.311 9.488 1.00 0.00 H new ATOM 0 HA GLU C 59 20.861 26.720 8.339 1.00 0.00 H new ATOM 0 HB2 GLU C 59 21.648 28.959 7.519 1.00 0.00 H new ATOM 0 HB3 GLU C 59 23.184 28.249 7.064 1.00 0.00 H new ATOM 0 HG2 GLU C 59 22.034 26.697 5.496 1.00 0.00 H new ATOM 0 HG3 GLU C 59 20.474 27.325 5.989 1.00 0.00 H new ATOM 918 N MET C 60 23.947 25.622 7.932 1.00 0.00 N ATOM 919 CA MET C 60 24.717 24.448 7.536 1.00 0.00 C ATOM 920 C MET C 60 24.308 23.238 8.366 1.00 0.00 C ATOM 921 O MET C 60 24.123 22.138 7.839 1.00 0.00 O ATOM 922 CB MET C 60 26.208 24.722 7.737 1.00 0.00 C ATOM 923 CG MET C 60 26.687 25.744 6.706 1.00 0.00 C ATOM 924 SD MET C 60 28.430 26.128 7.010 1.00 0.00 S ATOM 925 CE MET C 60 28.703 27.155 5.546 1.00 0.00 C ATOM 0 H MET C 60 24.502 26.386 8.319 1.00 0.00 H new ATOM 0 HA MET C 60 24.519 24.238 6.485 1.00 0.00 H new ATOM 0 HB2 MET C 60 26.386 25.097 8.745 1.00 0.00 H new ATOM 0 HB3 MET C 60 26.775 23.796 7.636 1.00 0.00 H new ATOM 0 HG2 MET C 60 26.560 25.348 5.698 1.00 0.00 H new ATOM 0 HG3 MET C 60 26.086 26.651 6.770 1.00 0.00 H new ATOM 0 HE1 MET C 60 29.735 27.505 5.534 1.00 0.00 H new ATOM 0 HE2 MET C 60 28.509 26.568 4.648 1.00 0.00 H new ATOM 0 HE3 MET C 60 28.030 28.012 5.572 1.00 0.00 H new ATOM 935 N ILE C 61 24.154 23.449 9.667 1.00 0.00 N ATOM 936 CA ILE C 61 23.756 22.374 10.554 1.00 0.00 C ATOM 937 C ILE C 61 22.350 21.895 10.223 1.00 0.00 C ATOM 938 O ILE C 61 22.062 20.705 10.281 1.00 0.00 O ATOM 939 CB ILE C 61 23.818 22.803 12.007 1.00 0.00 C ATOM 940 CG1 ILE C 61 25.280 23.023 12.398 1.00 0.00 C ATOM 941 CG2 ILE C 61 23.207 21.694 12.861 1.00 0.00 C ATOM 942 CD1 ILE C 61 25.351 23.631 13.794 1.00 0.00 C ATOM 0 H ILE C 61 24.298 24.349 10.125 1.00 0.00 H new ATOM 0 HA ILE C 61 24.459 21.554 10.405 1.00 0.00 H new ATOM 0 HB ILE C 61 23.266 23.730 12.161 1.00 0.00 H new ATOM 0 HG12 ILE C 61 25.819 22.076 12.375 1.00 0.00 H new ATOM 0 HG13 ILE C 61 25.764 23.683 11.678 1.00 0.00 H new ATOM 0 HG21 ILE C 61 23.242 21.983 13.911 1.00 0.00 H new ATOM 0 HG22 ILE C 61 22.171 21.534 12.563 1.00 0.00 H new ATOM 0 HG23 ILE C 61 23.772 20.773 12.719 1.00 0.00 H new ATOM 0 HD11 ILE C 61 26.394 23.787 14.070 1.00 0.00 H new ATOM 0 HD12 ILE C 61 24.827 24.587 13.802 1.00 0.00 H new ATOM 0 HD13 ILE C 61 24.883 22.955 14.510 1.00 0.00 H new ATOM 954 N ASP C 62 21.474 22.837 9.895 1.00 0.00 N ATOM 955 CA ASP C 62 20.092 22.501 9.576 1.00 0.00 C ATOM 956 C ASP C 62 20.040 21.527 8.403 1.00 0.00 C ATOM 957 O ASP C 62 19.261 20.571 8.414 1.00 0.00 O ATOM 958 CB ASP C 62 19.328 23.775 9.214 1.00 0.00 C ATOM 959 CG ASP C 62 19.120 24.632 10.459 1.00 0.00 C ATOM 960 OD1 ASP C 62 19.316 24.118 11.548 1.00 0.00 O ATOM 961 OD2 ASP C 62 18.775 25.792 10.303 1.00 0.00 O1- ATOM 0 H ASP C 62 21.693 23.832 9.843 1.00 0.00 H new ATOM 0 HA ASP C 62 19.634 22.031 10.446 1.00 0.00 H new ATOM 0 HB2 ASP C 62 19.881 24.339 8.463 1.00 0.00 H new ATOM 0 HB3 ASP C 62 18.364 23.518 8.774 1.00 0.00 H new ATOM 966 N GLU C 63 20.885 21.753 7.403 1.00 0.00 N ATOM 967 CA GLU C 63 20.935 20.864 6.247 1.00 0.00 C ATOM 968 C GLU C 63 21.400 19.472 6.661 1.00 0.00 C ATOM 969 O GLU C 63 20.870 18.464 6.197 1.00 0.00 O ATOM 970 CB GLU C 63 21.880 21.433 5.187 1.00 0.00 C ATOM 971 CG GLU C 63 21.103 22.361 4.252 1.00 0.00 C ATOM 972 CD GLU C 63 20.258 21.528 3.294 1.00 0.00 C ATOM 973 OE1 GLU C 63 20.755 20.516 2.827 1.00 0.00 O ATOM 974 OE2 GLU C 63 19.130 21.915 3.036 1.00 0.00 O1- ATOM 0 H GLU C 63 21.538 22.535 7.368 1.00 0.00 H new ATOM 0 HA GLU C 63 19.932 20.787 5.828 1.00 0.00 H new ATOM 0 HB2 GLU C 63 22.693 21.980 5.666 1.00 0.00 H new ATOM 0 HB3 GLU C 63 22.334 20.622 4.617 1.00 0.00 H new ATOM 0 HG2 GLU C 63 20.464 23.027 4.832 1.00 0.00 H new ATOM 0 HG3 GLU C 63 21.794 22.991 3.691 1.00 0.00 H new ATOM 981 N VAL C 64 22.399 19.426 7.539 1.00 0.00 N ATOM 982 CA VAL C 64 22.933 18.152 8.009 1.00 0.00 C ATOM 983 C VAL C 64 22.000 17.518 9.039 1.00 0.00 C ATOM 984 O VAL C 64 21.891 16.295 9.119 1.00 0.00 O ATOM 985 CB VAL C 64 24.314 18.360 8.631 1.00 0.00 C ATOM 986 CG1 VAL C 64 24.823 17.037 9.207 1.00 0.00 C ATOM 987 CG2 VAL C 64 25.284 18.855 7.556 1.00 0.00 C ATOM 0 H VAL C 64 22.852 20.249 7.936 1.00 0.00 H new ATOM 0 HA VAL C 64 23.016 17.482 7.153 1.00 0.00 H new ATOM 0 HB VAL C 64 24.245 19.098 9.430 1.00 0.00 H new ATOM 0 HG11 VAL C 64 25.808 17.188 9.650 1.00 0.00 H new ATOM 0 HG12 VAL C 64 24.132 16.683 9.972 1.00 0.00 H new ATOM 0 HG13 VAL C 64 24.893 16.296 8.410 1.00 0.00 H new ATOM 0 HG21 VAL C 64 26.270 19.004 7.996 1.00 0.00 H new ATOM 0 HG22 VAL C 64 25.351 18.115 6.758 1.00 0.00 H new ATOM 0 HG23 VAL C 64 24.923 19.798 7.147 1.00 0.00 H new ATOM 997 N ASP C 65 21.331 18.357 9.826 1.00 0.00 N ATOM 998 CA ASP C 65 20.413 17.867 10.849 1.00 0.00 C ATOM 999 C ASP C 65 19.034 17.596 10.261 1.00 0.00 C ATOM 1000 O ASP C 65 18.381 18.498 9.739 1.00 0.00 O ATOM 1001 CB ASP C 65 20.277 18.894 11.978 1.00 0.00 C ATOM 1002 CG ASP C 65 21.502 18.862 12.887 1.00 0.00 C ATOM 1003 OD1 ASP C 65 22.321 17.973 12.721 1.00 0.00 O ATOM 1004 OD2 ASP C 65 21.590 19.717 13.755 1.00 0.00 O1- ATOM 0 H ASP C 65 21.407 19.373 9.775 1.00 0.00 H new ATOM 0 HA ASP C 65 20.823 16.937 11.242 1.00 0.00 H new ATOM 0 HB2 ASP C 65 20.157 19.892 11.556 1.00 0.00 H new ATOM 0 HB3 ASP C 65 19.380 18.684 12.561 1.00 0.00 H new ATOM 1009 N GLU C 66 18.594 16.349 10.366 1.00 0.00 N ATOM 1010 CA GLU C 66 17.285 15.960 9.859 1.00 0.00 C ATOM 1011 C GLU C 66 16.184 16.398 10.822 1.00 0.00 C ATOM 1012 O GLU C 66 15.021 16.521 10.440 1.00 0.00 O ATOM 1013 CB GLU C 66 17.245 14.441 9.659 1.00 0.00 C ATOM 1014 CG GLU C 66 17.383 13.733 11.010 1.00 0.00 C ATOM 1015 CD GLU C 66 17.519 12.228 10.794 1.00 0.00 C ATOM 1016 OE1 GLU C 66 17.655 11.824 9.651 1.00 0.00 O ATOM 1017 OE2 GLU C 66 17.481 11.503 11.774 1.00 0.00 O1- ATOM 0 H GLU C 66 19.123 15.591 10.797 1.00 0.00 H new ATOM 0 HA GLU C 66 17.114 16.453 8.902 1.00 0.00 H new ATOM 0 HB2 GLU C 66 16.308 14.153 9.182 1.00 0.00 H new ATOM 0 HB3 GLU C 66 18.050 14.132 8.993 1.00 0.00 H new ATOM 0 HG2 GLU C 66 18.255 14.113 11.543 1.00 0.00 H new ATOM 0 HG3 GLU C 66 16.513 13.943 11.632 1.00 0.00 H new ATOM 1024 N ASP C 67 16.561 16.631 12.076 1.00 0.00 N ATOM 1025 CA ASP C 67 15.599 17.051 13.087 1.00 0.00 C ATOM 1026 C ASP C 67 15.634 18.560 13.290 1.00 0.00 C ATOM 1027 O ASP C 67 14.777 19.124 13.971 1.00 0.00 O ATOM 1028 CB ASP C 67 15.898 16.335 14.404 1.00 0.00 C ATOM 1029 CG ASP C 67 17.322 16.642 14.854 1.00 0.00 C ATOM 1030 OD1 ASP C 67 17.919 17.545 14.292 1.00 0.00 O ATOM 1031 OD2 ASP C 67 17.799 15.961 15.747 1.00 0.00 O1- ATOM 0 H ASP C 67 17.519 16.537 12.414 1.00 0.00 H new ATOM 0 HA ASP C 67 14.599 16.784 12.744 1.00 0.00 H new ATOM 0 HB2 ASP C 67 15.190 16.653 15.169 1.00 0.00 H new ATOM 0 HB3 ASP C 67 15.771 15.260 14.280 1.00 0.00 H new ATOM 1036 N GLY C 68 16.616 19.214 12.687 1.00 0.00 N ATOM 1037 CA GLY C 68 16.729 20.660 12.808 1.00 0.00 C ATOM 1038 C GLY C 68 17.075 21.050 14.236 1.00 0.00 C ATOM 1039 O GLY C 68 16.842 22.184 14.654 1.00 0.00 O ATOM 0 H GLY C 68 17.337 18.774 12.116 1.00 0.00 H new ATOM 0 HA2 GLY C 68 17.497 21.029 12.128 1.00 0.00 H new ATOM 0 HA3 GLY C 68 15.790 21.130 12.514 1.00 0.00 H new ATOM 1043 N SER C 69 17.622 20.099 14.985 1.00 0.00 N ATOM 1044 CA SER C 69 17.981 20.357 16.374 1.00 0.00 C ATOM 1045 C SER C 69 18.985 21.502 16.471 1.00 0.00 C ATOM 1046 O SER C 69 18.969 22.266 17.436 1.00 0.00 O ATOM 1047 CB SER C 69 18.586 19.104 17.005 1.00 0.00 C ATOM 1048 OG SER C 69 19.788 18.774 16.324 1.00 0.00 O ATOM 0 H SER C 69 17.824 19.154 14.659 1.00 0.00 H new ATOM 0 HA SER C 69 17.073 20.634 16.909 1.00 0.00 H new ATOM 0 HB2 SER C 69 18.788 19.276 18.062 1.00 0.00 H new ATOM 0 HB3 SER C 69 17.881 18.275 16.946 1.00 0.00 H new ATOM 0 HG SER C 69 19.575 18.282 15.504 1.00 0.00 H new ATOM 1054 N GLY C 70 19.855 21.622 15.471 1.00 0.00 N ATOM 1055 CA GLY C 70 20.852 22.687 15.474 1.00 0.00 C ATOM 1056 C GLY C 70 22.182 22.192 16.032 1.00 0.00 C ATOM 1057 O GLY C 70 23.152 22.948 16.109 1.00 0.00 O ATOM 0 H GLY C 70 19.890 21.004 14.660 1.00 0.00 H new ATOM 0 HA2 GLY C 70 20.995 23.058 14.459 1.00 0.00 H new ATOM 0 HA3 GLY C 70 20.492 23.524 16.072 1.00 0.00 H new ATOM 1061 N THR C 71 22.222 20.921 16.415 1.00 0.00 N ATOM 1062 CA THR C 71 23.441 20.332 16.958 1.00 0.00 C ATOM 1063 C THR C 71 23.674 18.942 16.372 1.00 0.00 C ATOM 1064 O THR C 71 22.751 18.318 15.851 1.00 0.00 O ATOM 1065 CB THR C 71 23.339 20.234 18.481 1.00 0.00 C ATOM 1066 OG1 THR C 71 22.281 19.351 18.825 1.00 0.00 O ATOM 1067 CG2 THR C 71 23.058 21.619 19.061 1.00 0.00 C ATOM 0 H THR C 71 21.429 20.281 16.360 1.00 0.00 H new ATOM 0 HA THR C 71 24.281 20.972 16.689 1.00 0.00 H new ATOM 0 HB THR C 71 24.276 19.854 18.887 1.00 0.00 H new ATOM 0 HG1 THR C 71 22.214 19.285 19.800 1.00 0.00 H new ATOM 0 HG21 THR C 71 22.985 21.551 20.146 1.00 0.00 H new ATOM 0 HG22 THR C 71 23.869 22.297 18.794 1.00 0.00 H new ATOM 0 HG23 THR C 71 22.119 21.999 18.657 1.00 0.00 H new ATOM 1075 N VAL C 72 24.912 18.463 16.473 1.00 0.00 N ATOM 1076 CA VAL C 72 25.258 17.138 15.959 1.00 0.00 C ATOM 1077 C VAL C 72 25.573 16.186 17.112 1.00 0.00 C ATOM 1078 O VAL C 72 26.498 16.423 17.891 1.00 0.00 O ATOM 1079 CB VAL C 72 26.473 17.241 15.029 1.00 0.00 C ATOM 1080 CG1 VAL C 72 26.860 15.852 14.515 1.00 0.00 C ATOM 1081 CG2 VAL C 72 26.124 18.140 13.841 1.00 0.00 C ATOM 0 H VAL C 72 25.688 18.967 16.902 1.00 0.00 H new ATOM 0 HA VAL C 72 24.407 16.747 15.401 1.00 0.00 H new ATOM 0 HB VAL C 72 27.312 17.664 15.582 1.00 0.00 H new ATOM 0 HG11 VAL C 72 27.724 15.936 13.855 1.00 0.00 H new ATOM 0 HG12 VAL C 72 27.109 15.208 15.359 1.00 0.00 H new ATOM 0 HG13 VAL C 72 26.023 15.422 13.964 1.00 0.00 H new ATOM 0 HG21 VAL C 72 26.985 18.216 13.177 1.00 0.00 H new ATOM 0 HG22 VAL C 72 25.282 17.712 13.296 1.00 0.00 H new ATOM 0 HG23 VAL C 72 25.856 19.133 14.202 1.00 0.00 H new ATOM 1091 N ASP C 73 24.793 15.112 17.210 1.00 0.00 N ATOM 1092 CA ASP C 73 24.987 14.119 18.262 1.00 0.00 C ATOM 1093 C ASP C 73 25.785 12.928 17.732 1.00 0.00 C ATOM 1094 O ASP C 73 26.298 12.962 16.615 1.00 0.00 O ATOM 1095 CB ASP C 73 23.632 13.648 18.805 1.00 0.00 C ATOM 1096 CG ASP C 73 22.838 12.942 17.712 1.00 0.00 C ATOM 1097 OD1 ASP C 73 23.407 12.694 16.668 1.00 0.00 O ATOM 1098 OD2 ASP C 73 21.670 12.670 17.936 1.00 0.00 O1- ATOM 0 H ASP C 73 24.022 14.908 16.574 1.00 0.00 H new ATOM 0 HA ASP C 73 25.549 14.581 19.074 1.00 0.00 H new ATOM 0 HB2 ASP C 73 23.785 12.972 19.646 1.00 0.00 H new ATOM 0 HB3 ASP C 73 23.067 14.501 19.180 1.00 0.00 H new ATOM 1103 N PHE C 74 25.896 11.880 18.545 1.00 0.00 N ATOM 1104 CA PHE C 74 26.642 10.688 18.148 1.00 0.00 C ATOM 1105 C PHE C 74 26.104 10.092 16.843 1.00 0.00 C ATOM 1106 O PHE C 74 26.865 9.828 15.914 1.00 0.00 O ATOM 1107 CB PHE C 74 26.560 9.637 19.257 1.00 0.00 C ATOM 1108 CG PHE C 74 27.949 9.302 19.743 1.00 0.00 C ATOM 1109 CD1 PHE C 74 28.729 8.380 19.035 1.00 0.00 C ATOM 1110 CD2 PHE C 74 28.458 9.908 20.899 1.00 0.00 C ATOM 1111 CE1 PHE C 74 30.016 8.064 19.480 1.00 0.00 C ATOM 1112 CE2 PHE C 74 29.746 9.591 21.345 1.00 0.00 C ATOM 1113 CZ PHE C 74 30.525 8.668 20.636 1.00 0.00 C ATOM 0 H PHE C 74 25.482 11.831 19.476 1.00 0.00 H new ATOM 0 HA PHE C 74 27.679 10.983 17.984 1.00 0.00 H new ATOM 0 HB2 PHE C 74 25.956 10.012 20.083 1.00 0.00 H new ATOM 0 HB3 PHE C 74 26.068 8.739 18.884 1.00 0.00 H new ATOM 0 HD1 PHE C 74 28.336 7.912 18.144 1.00 0.00 H new ATOM 0 HD2 PHE C 74 27.857 10.619 21.446 1.00 0.00 H new ATOM 0 HE1 PHE C 74 30.618 7.354 18.932 1.00 0.00 H new ATOM 0 HE2 PHE C 74 30.139 10.058 22.236 1.00 0.00 H new ATOM 0 HZ PHE C 74 31.518 8.422 20.981 1.00 0.00 H new ATOM 1123 N ASP C 75 24.793 9.867 16.792 1.00 0.00 N ATOM 1124 CA ASP C 75 24.164 9.287 15.605 1.00 0.00 C ATOM 1125 C ASP C 75 24.343 10.193 14.384 1.00 0.00 C ATOM 1126 O ASP C 75 24.699 9.726 13.298 1.00 0.00 O ATOM 1127 CB ASP C 75 22.669 9.098 15.875 1.00 0.00 C ATOM 1128 CG ASP C 75 22.449 7.976 16.886 1.00 0.00 C ATOM 1129 OD1 ASP C 75 23.382 7.227 17.127 1.00 0.00 O ATOM 1130 OD2 ASP C 75 21.350 7.885 17.408 1.00 0.00 O1- ATOM 0 H ASP C 75 24.148 10.076 17.554 1.00 0.00 H new ATOM 0 HA ASP C 75 24.640 8.329 15.395 1.00 0.00 H new ATOM 0 HB2 ASP C 75 22.241 10.026 16.253 1.00 0.00 H new ATOM 0 HB3 ASP C 75 22.152 8.864 14.945 1.00 0.00 H new ATOM 1135 N GLU C 76 24.106 11.490 14.582 1.00 0.00 N ATOM 1136 CA GLU C 76 24.252 12.474 13.512 1.00 0.00 C ATOM 1137 C GLU C 76 25.729 12.613 13.144 1.00 0.00 C ATOM 1138 O GLU C 76 26.078 12.875 11.996 1.00 0.00 O ATOM 1139 CB GLU C 76 23.662 13.823 13.936 1.00 0.00 C ATOM 1140 CG GLU C 76 22.135 13.712 14.000 1.00 0.00 C ATOM 1141 CD GLU C 76 21.533 15.011 14.529 1.00 0.00 C ATOM 1142 OE1 GLU C 76 22.290 15.846 14.996 1.00 0.00 O ATOM 1143 OE2 GLU C 76 20.322 15.153 14.457 1.00 0.00 O1- ATOM 0 H GLU C 76 23.812 11.883 15.476 1.00 0.00 H new ATOM 0 HA GLU C 76 23.702 12.134 12.634 1.00 0.00 H new ATOM 0 HB2 GLU C 76 24.058 14.116 14.908 1.00 0.00 H new ATOM 0 HB3 GLU C 76 23.952 14.598 13.227 1.00 0.00 H new ATOM 0 HG2 GLU C 76 21.737 13.496 13.009 1.00 0.00 H new ATOM 0 HG3 GLU C 76 21.850 12.881 14.646 1.00 0.00 H new ATOM 1150 N PHE C 77 26.590 12.419 14.132 1.00 0.00 N ATOM 1151 CA PHE C 77 28.028 12.489 13.905 1.00 0.00 C ATOM 1152 C PHE C 77 28.487 11.362 12.980 1.00 0.00 C ATOM 1153 O PHE C 77 29.260 11.588 12.048 1.00 0.00 O ATOM 1154 CB PHE C 77 28.782 12.411 15.235 1.00 0.00 C ATOM 1155 CG PHE C 77 30.158 11.822 15.008 1.00 0.00 C ATOM 1156 CD1 PHE C 77 31.060 12.453 14.140 1.00 0.00 C ATOM 1157 CD2 PHE C 77 30.532 10.643 15.668 1.00 0.00 C ATOM 1158 CE1 PHE C 77 32.332 11.904 13.934 1.00 0.00 C ATOM 1159 CE2 PHE C 77 31.805 10.095 15.462 1.00 0.00 C ATOM 1160 CZ PHE C 77 32.704 10.725 14.595 1.00 0.00 C ATOM 0 H PHE C 77 26.321 12.213 15.094 1.00 0.00 H new ATOM 0 HA PHE C 77 28.249 13.443 13.427 1.00 0.00 H new ATOM 0 HB2 PHE C 77 28.869 13.405 15.673 1.00 0.00 H new ATOM 0 HB3 PHE C 77 28.226 11.798 15.944 1.00 0.00 H new ATOM 0 HD1 PHE C 77 30.774 13.362 13.631 1.00 0.00 H new ATOM 0 HD2 PHE C 77 29.837 10.156 16.337 1.00 0.00 H new ATOM 0 HE1 PHE C 77 33.027 12.390 13.265 1.00 0.00 H new ATOM 0 HE2 PHE C 77 32.092 9.187 15.972 1.00 0.00 H new ATOM 0 HZ PHE C 77 33.685 10.303 14.435 1.00 0.00 H new ATOM 1170 N LEU C 78 28.028 10.141 13.259 1.00 0.00 N ATOM 1171 CA LEU C 78 28.427 8.986 12.453 1.00 0.00 C ATOM 1172 C LEU C 78 28.023 9.154 10.993 1.00 0.00 C ATOM 1173 O LEU C 78 28.831 8.942 10.088 1.00 0.00 O ATOM 1174 CB LEU C 78 27.785 7.709 13.008 1.00 0.00 C ATOM 1175 CG LEU C 78 28.865 6.708 13.431 1.00 0.00 C ATOM 1176 CD1 LEU C 78 29.543 7.188 14.716 1.00 0.00 C ATOM 1177 CD2 LEU C 78 28.210 5.351 13.682 1.00 0.00 C ATOM 0 H LEU C 78 27.389 9.928 14.025 1.00 0.00 H new ATOM 0 HA LEU C 78 29.513 8.911 12.504 1.00 0.00 H new ATOM 0 HB2 LEU C 78 27.153 7.954 13.862 1.00 0.00 H new ATOM 0 HB3 LEU C 78 27.140 7.260 12.252 1.00 0.00 H new ATOM 0 HG LEU C 78 29.613 6.623 12.643 1.00 0.00 H new ATOM 0 HD11 LEU C 78 30.310 6.472 15.012 1.00 0.00 H new ATOM 0 HD12 LEU C 78 30.002 8.161 14.543 1.00 0.00 H new ATOM 0 HD13 LEU C 78 28.800 7.273 15.509 1.00 0.00 H new ATOM 0 HD21 LEU C 78 28.970 4.630 13.984 1.00 0.00 H new ATOM 0 HD22 LEU C 78 27.466 5.447 14.473 1.00 0.00 H new ATOM 0 HD23 LEU C 78 27.726 5.006 12.768 1.00 0.00 H new ATOM 1189 N VAL C 79 26.770 9.516 10.766 1.00 0.00 N ATOM 1190 CA VAL C 79 26.274 9.695 9.414 1.00 0.00 C ATOM 1191 C VAL C 79 26.938 10.888 8.740 1.00 0.00 C ATOM 1192 O VAL C 79 27.109 10.906 7.528 1.00 0.00 O ATOM 1193 CB VAL C 79 24.765 9.921 9.445 1.00 0.00 C ATOM 1194 CG1 VAL C 79 24.046 8.703 10.023 1.00 0.00 C ATOM 1195 CG2 VAL C 79 24.472 11.131 10.311 1.00 0.00 C ATOM 0 H VAL C 79 26.082 9.691 11.498 1.00 0.00 H new ATOM 0 HA VAL C 79 26.509 8.794 8.847 1.00 0.00 H new ATOM 0 HB VAL C 79 24.409 10.082 8.427 1.00 0.00 H new ATOM 0 HG11 VAL C 79 22.972 8.887 10.035 1.00 0.00 H new ATOM 0 HG12 VAL C 79 24.258 7.829 9.407 1.00 0.00 H new ATOM 0 HG13 VAL C 79 24.395 8.523 11.040 1.00 0.00 H new ATOM 0 HG21 VAL C 79 23.396 11.304 10.342 1.00 0.00 H new ATOM 0 HG22 VAL C 79 24.840 10.953 11.321 1.00 0.00 H new ATOM 0 HG23 VAL C 79 24.969 12.007 9.893 1.00 0.00 H new ATOM 1205 N MET C 80 27.314 11.881 9.529 1.00 0.00 N ATOM 1206 CA MET C 80 27.952 13.062 8.978 1.00 0.00 C ATOM 1207 C MET C 80 29.276 12.676 8.348 1.00 0.00 C ATOM 1208 O MET C 80 29.623 13.138 7.263 1.00 0.00 O ATOM 1209 CB MET C 80 28.169 14.104 10.081 1.00 0.00 C ATOM 1210 CG MET C 80 28.815 15.359 9.486 1.00 0.00 C ATOM 1211 SD MET C 80 28.858 16.678 10.732 1.00 0.00 S ATOM 1212 CE MET C 80 30.147 15.995 11.811 1.00 0.00 C ATOM 0 H MET C 80 27.190 11.893 10.541 1.00 0.00 H new ATOM 0 HA MET C 80 27.309 13.497 8.213 1.00 0.00 H new ATOM 0 HB2 MET C 80 27.217 14.359 10.546 1.00 0.00 H new ATOM 0 HB3 MET C 80 28.806 13.692 10.864 1.00 0.00 H new ATOM 0 HG2 MET C 80 29.826 15.133 9.147 1.00 0.00 H new ATOM 0 HG3 MET C 80 28.253 15.689 8.613 1.00 0.00 H new ATOM 0 HE1 MET C 80 30.519 16.777 12.473 1.00 0.00 H new ATOM 0 HE2 MET C 80 29.730 15.183 12.407 1.00 0.00 H new ATOM 0 HE3 MET C 80 30.967 15.614 11.202 1.00 0.00 H new ATOM 1222 N MET C 81 30.005 11.816 9.041 1.00 0.00 N ATOM 1223 CA MET C 81 31.295 11.363 8.545 1.00 0.00 C ATOM 1224 C MET C 81 31.125 10.527 7.277 1.00 0.00 C ATOM 1225 O MET C 81 31.840 10.723 6.295 1.00 0.00 O ATOM 1226 CB MET C 81 32.000 10.539 9.627 1.00 0.00 C ATOM 1227 CG MET C 81 33.422 10.181 9.176 1.00 0.00 C ATOM 1228 SD MET C 81 34.422 11.687 9.037 1.00 0.00 S ATOM 1229 CE MET C 81 35.929 10.914 8.389 1.00 0.00 C ATOM 0 H MET C 81 29.729 11.421 9.940 1.00 0.00 H new ATOM 0 HA MET C 81 31.901 12.235 8.300 1.00 0.00 H new ATOM 0 HB2 MET C 81 32.037 11.104 10.558 1.00 0.00 H new ATOM 0 HB3 MET C 81 31.434 9.629 9.828 1.00 0.00 H new ATOM 0 HG2 MET C 81 33.878 9.496 9.891 1.00 0.00 H new ATOM 0 HG3 MET C 81 33.390 9.665 8.216 1.00 0.00 H new ATOM 0 HE1 MET C 81 36.638 11.688 8.095 1.00 0.00 H new ATOM 0 HE2 MET C 81 36.376 10.286 9.160 1.00 0.00 H new ATOM 0 HE3 MET C 81 35.680 10.302 7.522 1.00 0.00 H new ATOM 1239 N VAL C 82 30.177 9.593 7.305 1.00 0.00 N ATOM 1240 CA VAL C 82 29.937 8.732 6.152 1.00 0.00 C ATOM 1241 C VAL C 82 29.445 9.538 4.958 1.00 0.00 C ATOM 1242 O VAL C 82 29.932 9.361 3.838 1.00 0.00 O ATOM 1243 CB VAL C 82 28.907 7.659 6.504 1.00 0.00 C ATOM 1244 CG1 VAL C 82 28.532 6.876 5.241 1.00 0.00 C ATOM 1245 CG2 VAL C 82 29.504 6.706 7.541 1.00 0.00 C ATOM 0 H VAL C 82 29.569 9.415 8.104 1.00 0.00 H new ATOM 0 HA VAL C 82 30.881 8.258 5.884 1.00 0.00 H new ATOM 0 HB VAL C 82 28.014 8.130 6.914 1.00 0.00 H new ATOM 0 HG11 VAL C 82 27.797 6.111 5.492 1.00 0.00 H new ATOM 0 HG12 VAL C 82 28.109 7.557 4.503 1.00 0.00 H new ATOM 0 HG13 VAL C 82 29.423 6.402 4.829 1.00 0.00 H new ATOM 0 HG21 VAL C 82 28.772 5.939 7.794 1.00 0.00 H new ATOM 0 HG22 VAL C 82 30.396 6.234 7.130 1.00 0.00 H new ATOM 0 HG23 VAL C 82 29.770 7.265 8.438 1.00 0.00 H new ATOM 1255 N ARG C 83 28.476 10.418 5.196 1.00 0.00 N ATOM 1256 CA ARG C 83 27.938 11.233 4.117 1.00 0.00 C ATOM 1257 C ARG C 83 29.014 12.152 3.548 1.00 0.00 C ATOM 1258 O ARG C 83 29.111 12.332 2.337 1.00 0.00 O ATOM 1259 CB ARG C 83 26.760 12.069 4.620 1.00 0.00 C ATOM 1260 CG ARG C 83 25.565 11.156 4.915 1.00 0.00 C ATOM 1261 CD ARG C 83 24.382 12.011 5.364 1.00 0.00 C ATOM 1262 NE ARG C 83 23.905 12.813 4.244 1.00 0.00 N ATOM 1263 CZ ARG C 83 23.167 13.899 4.436 1.00 0.00 C ATOM 1264 NH1 ARG C 83 22.888 14.295 5.648 1.00 0.00 N ATOM 1265 NH2 ARG C 83 22.727 14.573 3.410 1.00 0.00 N1+ ATOM 0 H ARG C 83 28.055 10.582 6.110 1.00 0.00 H new ATOM 0 HA ARG C 83 27.593 10.566 3.327 1.00 0.00 H new ATOM 0 HB2 ARG C 83 27.046 12.612 5.521 1.00 0.00 H new ATOM 0 HB3 ARG C 83 26.485 12.813 3.873 1.00 0.00 H new ATOM 0 HG2 ARG C 83 25.300 10.585 4.026 1.00 0.00 H new ATOM 0 HG3 ARG C 83 25.824 10.436 5.691 1.00 0.00 H new ATOM 0 HD2 ARG C 83 23.580 11.373 5.735 1.00 0.00 H new ATOM 0 HD3 ARG C 83 24.681 12.660 6.187 1.00 0.00 H new ATOM 0 HE ARG C 83 24.144 12.533 3.293 1.00 0.00 H new ATOM 0 HH11 ARG C 83 23.237 13.769 6.449 1.00 0.00 H new ATOM 0 HH12 ARG C 83 22.321 15.130 5.794 1.00 0.00 H new ATOM 0 HH21 ARG C 83 22.950 14.265 2.464 1.00 0.00 H new ATOM 0 HH22 ARG C 83 22.159 15.408 3.554 1.00 0.00 H new ATOM 1279 N CYS C 84 29.827 12.728 4.427 1.00 0.00 N ATOM 1280 CA CYS C 84 30.893 13.617 3.986 1.00 0.00 C ATOM 1281 C CYS C 84 31.930 12.851 3.168 1.00 0.00 C ATOM 1282 O CYS C 84 32.436 13.352 2.164 1.00 0.00 O ATOM 1283 CB CYS C 84 31.567 14.267 5.195 1.00 0.00 C ATOM 1284 SG CYS C 84 30.422 15.445 5.957 1.00 0.00 S ATOM 0 H CYS C 84 29.769 12.597 5.437 1.00 0.00 H new ATOM 0 HA CYS C 84 30.455 14.392 3.357 1.00 0.00 H new ATOM 0 HB2 CYS C 84 31.857 13.504 5.918 1.00 0.00 H new ATOM 0 HB3 CYS C 84 32.480 14.777 4.887 1.00 0.00 H new ATOM 0 HG CYS C 84 29.647 14.819 6.792 1.00 0.00 H new ATOM 1290 N MET C 85 32.248 11.636 3.610 1.00 0.00 N ATOM 1291 CA MET C 85 33.234 10.816 2.917 1.00 0.00 C ATOM 1292 C MET C 85 32.789 10.524 1.487 1.00 0.00 C ATOM 1293 O MET C 85 33.560 10.686 0.542 1.00 0.00 O ATOM 1294 CB MET C 85 33.422 9.491 3.668 1.00 0.00 C ATOM 1295 CG MET C 85 34.514 8.658 2.990 1.00 0.00 C ATOM 1296 SD MET C 85 34.752 7.113 3.904 1.00 0.00 S ATOM 1297 CE MET C 85 36.045 6.425 2.841 1.00 0.00 C ATOM 0 H MET C 85 31.840 11.202 4.438 1.00 0.00 H new ATOM 0 HA MET C 85 34.176 11.364 2.886 1.00 0.00 H new ATOM 0 HB2 MET C 85 33.693 9.686 4.706 1.00 0.00 H new ATOM 0 HB3 MET C 85 32.485 8.935 3.683 1.00 0.00 H new ATOM 0 HG2 MET C 85 34.234 8.443 1.959 1.00 0.00 H new ATOM 0 HG3 MET C 85 35.447 9.220 2.957 1.00 0.00 H new ATOM 0 HE1 MET C 85 36.351 5.451 3.224 1.00 0.00 H new ATOM 0 HE2 MET C 85 35.661 6.312 1.827 1.00 0.00 H new ATOM 0 HE3 MET C 85 36.903 7.097 2.831 1.00 0.00 H new ATOM 1307 N LYS C 86 31.540 10.088 1.335 1.00 0.00 N ATOM 1308 CA LYS C 86 31.007 9.775 0.014 1.00 0.00 C ATOM 1309 C LYS C 86 30.563 11.046 -0.701 1.00 0.00 C ATOM 1310 O LYS C 86 30.474 11.084 -1.929 1.00 0.00 O ATOM 1311 CB LYS C 86 29.828 8.805 0.142 1.00 0.00 C ATOM 1312 CG LYS C 86 28.552 9.567 0.508 1.00 0.00 C ATOM 1313 CD LYS C 86 27.474 8.575 0.944 1.00 0.00 C ATOM 1314 CE LYS C 86 26.120 9.281 0.951 1.00 0.00 C ATOM 1315 NZ LYS C 86 25.699 9.532 -0.456 1.00 0.00 N1+ ATOM 0 H LYS C 86 30.885 9.945 2.103 1.00 0.00 H new ATOM 0 HA LYS C 86 31.794 9.305 -0.575 1.00 0.00 H new ATOM 0 HB2 LYS C 86 29.684 8.271 -0.797 1.00 0.00 H new ATOM 0 HB3 LYS C 86 30.045 8.057 0.905 1.00 0.00 H new ATOM 0 HG2 LYS C 86 28.756 10.275 1.311 1.00 0.00 H new ATOM 0 HG3 LYS C 86 28.204 10.147 -0.347 1.00 0.00 H new ATOM 0 HD2 LYS C 86 27.450 7.723 0.265 1.00 0.00 H new ATOM 0 HD3 LYS C 86 27.700 8.186 1.937 1.00 0.00 H new ATOM 0 HE2 LYS C 86 25.378 8.668 1.463 1.00 0.00 H new ATOM 0 HE3 LYS C 86 26.188 10.222 1.498 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 24.662 9.589 -0.503 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 26.111 10.428 -0.787 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 26.031 8.754 -1.062 1.00 0.00 H new ATOM 1508 N ALA I 152 40.556 17.302 4.702 1.00 0.00 N ATOM 1509 CA ALA I 152 41.313 18.380 5.321 1.00 0.00 C ATOM 1510 C ALA I 152 41.017 18.450 6.816 1.00 0.00 C ATOM 1511 O ALA I 152 41.913 18.690 7.627 1.00 0.00 O ATOM 1512 CB ALA I 152 40.955 19.710 4.663 1.00 0.00 C ATOM 0 HA ALA I 152 42.376 18.182 5.183 1.00 0.00 H new ATOM 0 HB1 ALA I 152 41.525 20.513 5.131 1.00 0.00 H new ATOM 0 HB2 ALA I 152 41.195 19.666 3.601 1.00 0.00 H new ATOM 0 HB3 ALA I 152 39.889 19.902 4.787 1.00 0.00 H new ATOM 1518 N MET I 153 39.751 18.252 7.172 1.00 0.00 N ATOM 1519 CA MET I 153 39.345 18.306 8.574 1.00 0.00 C ATOM 1520 C MET I 153 40.055 17.215 9.374 1.00 0.00 C ATOM 1521 O MET I 153 40.565 17.460 10.468 1.00 0.00 O ATOM 1522 CB MET I 153 37.832 18.110 8.680 1.00 0.00 C ATOM 1523 CG MET I 153 37.349 18.604 10.043 1.00 0.00 C ATOM 1524 SD MET I 153 37.141 20.402 9.976 1.00 0.00 S ATOM 1525 CE MET I 153 37.735 20.774 11.643 1.00 0.00 C ATOM 0 H MET I 153 38.995 18.055 6.517 1.00 0.00 H new ATOM 0 HA MET I 153 39.618 19.280 8.980 1.00 0.00 H new ATOM 0 HB2 MET I 153 37.327 18.656 7.883 1.00 0.00 H new ATOM 0 HB3 MET I 153 37.581 17.057 8.553 1.00 0.00 H new ATOM 0 HG2 MET I 153 36.406 18.125 10.305 1.00 0.00 H new ATOM 0 HG3 MET I 153 38.068 18.336 10.817 1.00 0.00 H new ATOM 0 HE1 MET I 153 37.927 21.843 11.731 1.00 0.00 H new ATOM 0 HE2 MET I 153 36.980 20.480 12.372 1.00 0.00 H new ATOM 0 HE3 MET I 153 38.657 20.224 11.832 1.00 0.00 H new ATOM 1535 N MET I 154 40.094 16.012 8.809 1.00 0.00 N ATOM 1536 CA MET I 154 40.755 14.883 9.462 1.00 0.00 C ATOM 1537 C MET I 154 42.252 15.139 9.600 1.00 0.00 C ATOM 1538 O MET I 154 42.862 14.780 10.606 1.00 0.00 O ATOM 1539 CB MET I 154 40.534 13.604 8.651 1.00 0.00 C ATOM 1540 CG MET I 154 39.076 13.139 8.767 1.00 0.00 C ATOM 1541 SD MET I 154 38.764 12.512 10.439 1.00 0.00 S ATOM 1542 CE MET I 154 37.598 13.789 10.981 1.00 0.00 C ATOM 0 H MET I 154 39.678 15.793 7.904 1.00 0.00 H new ATOM 0 HA MET I 154 40.323 14.766 10.456 1.00 0.00 H new ATOM 0 HB2 MET I 154 40.783 13.782 7.605 1.00 0.00 H new ATOM 0 HB3 MET I 154 41.201 12.820 9.008 1.00 0.00 H new ATOM 0 HG2 MET I 154 38.402 13.967 8.547 1.00 0.00 H new ATOM 0 HG3 MET I 154 38.874 12.360 8.033 1.00 0.00 H new ATOM 0 HE1 MET I 154 37.431 13.698 12.054 1.00 0.00 H new ATOM 0 HE2 MET I 154 38.009 14.774 10.760 1.00 0.00 H new ATOM 0 HE3 MET I 154 36.651 13.664 10.455 1.00 0.00 H new ATOM 1552 N GLN I 155 42.841 15.746 8.575 1.00 0.00 N ATOM 1553 CA GLN I 155 44.269 16.027 8.592 1.00 0.00 C ATOM 1554 C GLN I 155 44.614 16.937 9.767 1.00 0.00 C ATOM 1555 O GLN I 155 45.605 16.717 10.464 1.00 0.00 O ATOM 1556 CB GLN I 155 44.680 16.703 7.280 1.00 0.00 C ATOM 1557 CG GLN I 155 46.201 16.876 7.239 1.00 0.00 C ATOM 1558 CD GLN I 155 46.611 17.572 5.945 1.00 0.00 C ATOM 1559 OE1 GLN I 155 46.106 18.650 5.632 1.00 0.00 O ATOM 1560 NE2 GLN I 155 47.506 17.019 5.171 1.00 0.00 N ATOM 0 H GLN I 155 42.356 16.050 7.731 1.00 0.00 H new ATOM 0 HA GLN I 155 44.811 15.087 8.701 1.00 0.00 H new ATOM 0 HB2 GLN I 155 44.350 16.103 6.432 1.00 0.00 H new ATOM 0 HB3 GLN I 155 44.192 17.674 7.192 1.00 0.00 H new ATOM 0 HG2 GLN I 155 46.532 17.461 8.097 1.00 0.00 H new ATOM 0 HG3 GLN I 155 46.688 15.903 7.309 1.00 0.00 H new ATOM 0 HE21 GLN I 155 47.924 16.126 5.432 1.00 0.00 H new ATOM 0 HE22 GLN I 155 47.787 17.480 4.306 1.00 0.00 H new ATOM 1569 N ALA I 156 43.787 17.955 9.986 1.00 0.00 N ATOM 1570 CA ALA I 156 44.012 18.885 11.089 1.00 0.00 C ATOM 1571 C ALA I 156 43.929 18.158 12.426 1.00 0.00 C ATOM 1572 O ALA I 156 44.714 18.417 13.337 1.00 0.00 O ATOM 1573 CB ALA I 156 42.978 20.010 11.052 1.00 0.00 C ATOM 0 H ALA I 156 42.962 18.156 9.421 1.00 0.00 H new ATOM 0 HA ALA I 156 45.009 19.311 10.979 1.00 0.00 H new ATOM 0 HB1 ALA I 156 43.157 20.696 11.880 1.00 0.00 H new ATOM 0 HB2 ALA I 156 43.061 20.550 10.109 1.00 0.00 H new ATOM 0 HB3 ALA I 156 41.977 19.587 11.141 1.00 0.00 H new