USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 607 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 69 SER OG : rot -98:sc= 1.29 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 165:sc= -0.383 USER MOD Single : A 6 LYS NZ :NH3+ -133:sc= -0.0848 (180deg=-1.16) USER MOD Single : A 11 GLN : amide:sc= 0.0134 X(o=0.013,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.00326 USER MOD Single : A 16 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.41) USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0633) USER MOD Single : A 18 ASN : amide:sc= -0.0675 X(o=-0.067,f=-0.3) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.864 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 170:sc= -1.25 (180deg=-1.48) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.229 K(o=-0.23,f=-1.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.666 USER MOD Single : A 58 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.36) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -148:sc= -1.56 (180deg=-2.77!) USER MOD Single : A 81 MET CE :methyl -144:sc= -0.732 (180deg=-2.87!) USER MOD Single : A 84 CYS SG : rot -30:sc= 0.0698 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N TYR A 5 6.577 -3.977 -6.027 1.00 22.41 N ATOM 62 CA TYR A 5 5.749 -4.156 -7.214 1.00 4.22 C ATOM 63 C TYR A 5 5.734 -2.889 -8.063 1.00 44.51 C ATOM 64 O TYR A 5 5.652 -2.949 -9.290 1.00 65.51 O ATOM 65 CB TYR A 5 4.322 -4.532 -6.814 1.00 13.02 C ATOM 66 CG TYR A 5 4.225 -5.853 -6.084 1.00 4.30 C ATOM 67 CD1 TYR A 5 4.958 -6.956 -6.504 1.00 33.11 C ATOM 68 CD2 TYR A 5 3.403 -5.997 -4.974 1.00 15.44 C ATOM 69 CE1 TYR A 5 4.872 -8.165 -5.841 1.00 0.25 C ATOM 70 CE2 TYR A 5 3.312 -7.201 -4.303 1.00 73.11 C ATOM 71 CZ TYR A 5 4.048 -8.282 -4.741 1.00 30.23 C ATOM 72 OH TYR A 5 3.961 -9.484 -4.076 1.00 70.13 O ATOM 0 HA TYR A 5 6.178 -4.964 -7.807 1.00 4.22 H new ATOM 0 HB2 TYR A 5 3.912 -3.745 -6.180 1.00 13.02 H new ATOM 0 HB3 TYR A 5 3.702 -4.575 -7.710 1.00 13.02 H new ATOM 0 HD1 TYR A 5 5.606 -6.867 -7.363 1.00 33.11 H new ATOM 0 HD2 TYR A 5 2.825 -5.153 -4.629 1.00 15.44 H new ATOM 0 HE1 TYR A 5 5.447 -9.014 -6.182 1.00 0.25 H new ATOM 0 HE2 TYR A 5 2.669 -7.295 -3.441 1.00 73.11 H new ATOM 0 HH TYR A 5 3.540 -9.345 -3.202 1.00 70.13 H new ATOM 82 N LYS A 6 5.815 -1.739 -7.401 1.00 32.52 N ATOM 83 CA LYS A 6 5.813 -0.456 -8.092 1.00 12.41 C ATOM 84 C LYS A 6 7.080 -0.284 -8.924 1.00 55.21 C ATOM 85 O LYS A 6 7.030 0.199 -10.055 1.00 74.10 O ATOM 86 CB LYS A 6 5.693 0.689 -7.084 1.00 11.43 C ATOM 87 CG LYS A 6 4.688 0.422 -5.977 1.00 0.34 C ATOM 88 CD LYS A 6 3.360 -0.062 -6.534 1.00 30.12 C ATOM 89 CE LYS A 6 2.703 0.995 -7.408 1.00 1.54 C ATOM 90 NZ LYS A 6 2.339 0.460 -8.748 1.00 65.55 N ATOM 0 H LYS A 6 5.883 -1.670 -6.386 1.00 32.52 H new ATOM 0 HA LYS A 6 4.954 -0.434 -8.762 1.00 12.41 H new ATOM 0 HB2 LYS A 6 6.671 0.874 -6.639 1.00 11.43 H new ATOM 0 HB3 LYS A 6 5.406 1.598 -7.612 1.00 11.43 H new ATOM 0 HG2 LYS A 6 5.090 -0.324 -5.292 1.00 0.34 H new ATOM 0 HG3 LYS A 6 4.531 1.333 -5.399 1.00 0.34 H new ATOM 0 HD2 LYS A 6 3.518 -0.970 -7.116 1.00 30.12 H new ATOM 0 HD3 LYS A 6 2.693 -0.322 -5.712 1.00 30.12 H new ATOM 0 HE2 LYS A 6 1.808 1.371 -6.912 1.00 1.54 H new ATOM 0 HE3 LYS A 6 3.381 1.840 -7.527 1.00 1.54 H new ATOM 0 HZ1 LYS A 6 2.652 1.125 -9.484 1.00 65.55 H new ATOM 0 HZ2 LYS A 6 2.803 -0.460 -8.892 1.00 65.55 H new ATOM 0 HZ3 LYS A 6 1.308 0.340 -8.806 1.00 65.55 H new ATOM 104 N ALA A 7 8.213 -0.683 -8.357 1.00 63.12 N ATOM 105 CA ALA A 7 9.492 -0.576 -9.049 1.00 21.35 C ATOM 106 C ALA A 7 9.543 -1.507 -10.255 1.00 62.13 C ATOM 107 O ALA A 7 10.334 -1.302 -11.176 1.00 75.10 O ATOM 108 CB ALA A 7 10.636 -0.884 -8.093 1.00 53.03 C ATOM 0 H ALA A 7 8.272 -1.083 -7.421 1.00 63.12 H new ATOM 0 HA ALA A 7 9.598 0.447 -9.409 1.00 21.35 H new ATOM 0 HB1 ALA A 7 11.585 -0.801 -8.622 1.00 53.03 H new ATOM 0 HB2 ALA A 7 10.619 -0.175 -7.265 1.00 53.03 H new ATOM 0 HB3 ALA A 7 10.524 -1.897 -7.706 1.00 53.03 H new ATOM 114 N ALA A 8 8.696 -2.531 -10.243 1.00 52.15 N ATOM 115 CA ALA A 8 8.644 -3.492 -11.338 1.00 30.32 C ATOM 116 C ALA A 8 7.839 -2.945 -12.512 1.00 4.12 C ATOM 117 O ALA A 8 8.231 -3.094 -13.669 1.00 61.23 O ATOM 118 CB ALA A 8 8.051 -4.808 -10.857 1.00 33.14 C ATOM 0 H ALA A 8 8.037 -2.716 -9.487 1.00 52.15 H new ATOM 0 HA ALA A 8 9.663 -3.669 -11.682 1.00 30.32 H new ATOM 0 HB1 ALA A 8 8.018 -5.516 -11.685 1.00 33.14 H new ATOM 0 HB2 ALA A 8 8.669 -5.214 -10.056 1.00 33.14 H new ATOM 0 HB3 ALA A 8 7.041 -4.637 -10.485 1.00 33.14 H new ATOM 124 N VAL A 9 6.712 -2.311 -12.206 1.00 53.11 N ATOM 125 CA VAL A 9 5.852 -1.741 -13.236 1.00 52.23 C ATOM 126 C VAL A 9 6.477 -0.490 -13.844 1.00 12.15 C ATOM 127 O VAL A 9 6.286 -0.200 -15.024 1.00 13.41 O ATOM 128 CB VAL A 9 4.462 -1.386 -12.674 1.00 63.04 C ATOM 129 CG1 VAL A 9 3.649 -2.647 -12.425 1.00 22.14 C ATOM 130 CG2 VAL A 9 4.597 -0.567 -11.399 1.00 72.24 C ATOM 0 H VAL A 9 6.373 -2.179 -11.253 1.00 53.11 H new ATOM 0 HA VAL A 9 5.740 -2.500 -14.010 1.00 52.23 H new ATOM 0 HB VAL A 9 3.933 -0.782 -13.412 1.00 63.04 H new ATOM 0 HG11 VAL A 9 2.670 -2.377 -12.028 1.00 22.14 H new ATOM 0 HG12 VAL A 9 3.523 -3.190 -13.362 1.00 22.14 H new ATOM 0 HG13 VAL A 9 4.170 -3.280 -11.706 1.00 22.14 H new ATOM 0 HG21 VAL A 9 3.606 -0.325 -11.015 1.00 72.24 H new ATOM 0 HG22 VAL A 9 5.144 -1.143 -10.653 1.00 72.24 H new ATOM 0 HG23 VAL A 9 5.138 0.355 -11.614 1.00 72.24 H new ATOM 140 N GLU A 10 7.225 0.247 -13.028 1.00 71.21 N ATOM 141 CA GLU A 10 7.878 1.467 -13.486 1.00 3.40 C ATOM 142 C GLU A 10 9.036 1.145 -14.427 1.00 34.01 C ATOM 143 O GLU A 10 9.382 1.944 -15.297 1.00 21.25 O ATOM 144 CB GLU A 10 8.388 2.278 -12.292 1.00 54.25 C ATOM 145 CG GLU A 10 7.293 3.035 -11.559 1.00 41.22 C ATOM 146 CD GLU A 10 7.813 4.270 -10.849 1.00 51.11 C ATOM 147 OE1 GLU A 10 8.194 5.237 -11.541 1.00 53.02 O ATOM 148 OE2 GLU A 10 7.838 4.269 -9.600 1.00 64.14 O ATOM 0 H GLU A 10 7.393 0.020 -12.048 1.00 71.21 H new ATOM 0 HA GLU A 10 7.143 2.059 -14.032 1.00 3.40 H new ATOM 0 HB2 GLU A 10 8.884 1.606 -11.592 1.00 54.25 H new ATOM 0 HB3 GLU A 10 9.139 2.988 -12.639 1.00 54.25 H new ATOM 0 HG2 GLU A 10 6.520 3.327 -12.270 1.00 41.22 H new ATOM 0 HG3 GLU A 10 6.823 2.373 -10.832 1.00 41.22 H new ATOM 155 N GLN A 11 9.629 -0.030 -14.245 1.00 33.43 N ATOM 156 CA GLN A 11 10.748 -0.458 -15.076 1.00 55.13 C ATOM 157 C GLN A 11 10.253 -1.191 -16.319 1.00 23.21 C ATOM 158 O GLN A 11 11.044 -1.759 -17.074 1.00 3.34 O ATOM 159 CB GLN A 11 11.688 -1.361 -14.277 1.00 64.20 C ATOM 160 CG GLN A 11 11.061 -2.685 -13.871 1.00 24.13 C ATOM 161 CD GLN A 11 12.077 -3.667 -13.319 1.00 55.31 C ATOM 162 OE1 GLN A 11 12.420 -4.654 -13.970 1.00 34.11 O ATOM 163 NE2 GLN A 11 12.564 -3.400 -12.113 1.00 15.11 N ATOM 0 H GLN A 11 9.353 -0.703 -13.530 1.00 33.43 H new ATOM 0 HA GLN A 11 11.293 0.431 -15.393 1.00 55.13 H new ATOM 0 HB2 GLN A 11 12.581 -1.558 -14.871 1.00 64.20 H new ATOM 0 HB3 GLN A 11 12.012 -0.832 -13.381 1.00 64.20 H new ATOM 0 HG2 GLN A 11 10.292 -2.503 -13.120 1.00 24.13 H new ATOM 0 HG3 GLN A 11 10.565 -3.128 -14.735 1.00 24.13 H new ATOM 0 HE21 GLN A 11 12.251 -2.570 -11.609 1.00 15.11 H new ATOM 0 HE22 GLN A 11 13.251 -4.025 -11.691 1.00 15.11 H new ATOM 172 N LEU A 12 8.941 -1.176 -16.526 1.00 22.12 N ATOM 173 CA LEU A 12 8.341 -1.840 -17.678 1.00 34.15 C ATOM 174 C LEU A 12 8.616 -1.061 -18.960 1.00 34.22 C ATOM 175 O LEU A 12 9.207 0.019 -18.929 1.00 70.41 O ATOM 176 CB LEU A 12 6.832 -1.993 -17.474 1.00 3.03 C ATOM 177 CG LEU A 12 6.394 -3.097 -16.511 1.00 14.33 C ATOM 178 CD1 LEU A 12 4.883 -3.081 -16.334 1.00 22.53 C ATOM 179 CD2 LEU A 12 6.860 -4.456 -17.010 1.00 23.43 C ATOM 0 H LEU A 12 8.272 -0.712 -15.911 1.00 22.12 H new ATOM 0 HA LEU A 12 8.791 -2.828 -17.772 1.00 34.15 H new ATOM 0 HB2 LEU A 12 6.436 -1.044 -17.112 1.00 3.03 H new ATOM 0 HB3 LEU A 12 6.372 -2.181 -18.444 1.00 3.03 H new ATOM 0 HG LEU A 12 6.855 -2.911 -15.541 1.00 14.33 H new ATOM 0 HD11 LEU A 12 4.589 -3.873 -15.646 1.00 22.53 H new ATOM 0 HD12 LEU A 12 4.574 -2.117 -15.931 1.00 22.53 H new ATOM 0 HD13 LEU A 12 4.402 -3.242 -17.299 1.00 22.53 H new ATOM 0 HD21 LEU A 12 6.539 -5.229 -16.312 1.00 23.43 H new ATOM 0 HD22 LEU A 12 6.428 -4.651 -17.991 1.00 23.43 H new ATOM 0 HD23 LEU A 12 7.947 -4.463 -17.085 1.00 23.43 H new ATOM 191 N THR A 13 8.181 -1.615 -20.088 1.00 33.05 N ATOM 192 CA THR A 13 8.379 -0.972 -21.381 1.00 32.55 C ATOM 193 C THR A 13 7.232 -0.022 -21.703 1.00 52.35 C ATOM 194 O THR A 13 6.099 -0.233 -21.273 1.00 32.52 O ATOM 195 CB THR A 13 8.503 -2.011 -22.511 1.00 22.40 C ATOM 196 OG1 THR A 13 8.594 -1.349 -23.777 1.00 72.03 O ATOM 197 CG2 THR A 13 7.311 -2.956 -22.511 1.00 72.13 C ATOM 0 H THR A 13 7.689 -2.508 -20.132 1.00 33.05 H new ATOM 0 HA THR A 13 9.308 -0.406 -21.314 1.00 32.55 H new ATOM 0 HB THR A 13 9.408 -2.594 -22.341 1.00 22.40 H new ATOM 0 HG1 THR A 13 8.674 -2.016 -24.490 1.00 72.03 H new ATOM 0 HG21 THR A 13 7.421 -3.681 -23.318 1.00 72.13 H new ATOM 0 HG22 THR A 13 7.262 -3.480 -21.557 1.00 72.13 H new ATOM 0 HG23 THR A 13 6.394 -2.385 -22.659 1.00 72.13 H new ATOM 205 N GLU A 14 7.534 1.026 -22.465 1.00 33.44 N ATOM 206 CA GLU A 14 6.526 2.009 -22.845 1.00 20.44 C ATOM 207 C GLU A 14 5.302 1.327 -23.450 1.00 0.14 C ATOM 208 O GLU A 14 4.166 1.715 -23.178 1.00 62.14 O ATOM 209 CB GLU A 14 7.110 3.011 -23.842 1.00 42.21 C ATOM 210 CG GLU A 14 8.333 3.747 -23.320 1.00 61.33 C ATOM 211 CD GLU A 14 8.546 5.083 -24.004 1.00 13.40 C ATOM 212 OE1 GLU A 14 8.966 5.087 -25.180 1.00 40.21 O ATOM 213 OE2 GLU A 14 8.292 6.125 -23.364 1.00 23.03 O ATOM 0 H GLU A 14 8.467 1.215 -22.830 1.00 33.44 H new ATOM 0 HA GLU A 14 6.216 2.541 -21.945 1.00 20.44 H new ATOM 0 HB2 GLU A 14 7.377 2.485 -24.759 1.00 42.21 H new ATOM 0 HB3 GLU A 14 6.343 3.739 -24.104 1.00 42.21 H new ATOM 0 HG2 GLU A 14 8.226 3.905 -22.247 1.00 61.33 H new ATOM 0 HG3 GLU A 14 9.216 3.124 -23.464 1.00 61.33 H new ATOM 220 N GLU A 15 5.544 0.310 -24.271 1.00 33.12 N ATOM 221 CA GLU A 15 4.461 -0.425 -24.915 1.00 43.41 C ATOM 222 C GLU A 15 3.516 -1.022 -23.877 1.00 31.21 C ATOM 223 O GLU A 15 2.297 -0.987 -24.040 1.00 53.42 O ATOM 224 CB GLU A 15 5.027 -1.534 -25.805 1.00 14.15 C ATOM 225 CG GLU A 15 5.427 -1.058 -27.191 1.00 0.22 C ATOM 226 CD GLU A 15 6.097 -2.144 -28.010 1.00 1.03 C ATOM 227 OE1 GLU A 15 5.454 -3.187 -28.252 1.00 45.32 O ATOM 228 OE2 GLU A 15 7.265 -1.950 -28.408 1.00 72.42 O ATOM 0 H GLU A 15 6.479 -0.024 -24.506 1.00 33.12 H new ATOM 0 HA GLU A 15 3.898 0.275 -25.533 1.00 43.41 H new ATOM 0 HB2 GLU A 15 5.897 -1.972 -25.316 1.00 14.15 H new ATOM 0 HB3 GLU A 15 4.283 -2.325 -25.902 1.00 14.15 H new ATOM 0 HG2 GLU A 15 4.542 -0.704 -27.719 1.00 0.22 H new ATOM 0 HG3 GLU A 15 6.104 -0.209 -27.098 1.00 0.22 H new ATOM 235 N GLN A 16 4.088 -1.571 -22.810 1.00 65.03 N ATOM 236 CA GLN A 16 3.297 -2.178 -21.746 1.00 42.44 C ATOM 237 C GLN A 16 2.468 -1.126 -21.017 1.00 50.42 C ATOM 238 O GLN A 16 1.240 -1.206 -20.976 1.00 21.42 O ATOM 239 CB GLN A 16 4.208 -2.903 -20.755 1.00 23.32 C ATOM 240 CG GLN A 16 4.685 -4.260 -21.247 1.00 44.14 C ATOM 241 CD GLN A 16 3.746 -5.385 -20.861 1.00 15.20 C ATOM 242 OE1 GLN A 16 3.983 -6.101 -19.887 1.00 55.54 O ATOM 243 NE2 GLN A 16 2.671 -5.547 -21.624 1.00 14.23 N ATOM 0 H GLN A 16 5.096 -1.608 -22.660 1.00 65.03 H new ATOM 0 HA GLN A 16 2.618 -2.900 -22.199 1.00 42.44 H new ATOM 0 HB2 GLN A 16 5.075 -2.276 -20.546 1.00 23.32 H new ATOM 0 HB3 GLN A 16 3.675 -3.034 -19.813 1.00 23.32 H new ATOM 0 HG2 GLN A 16 4.787 -4.233 -22.332 1.00 44.14 H new ATOM 0 HG3 GLN A 16 5.675 -4.462 -20.839 1.00 44.14 H new ATOM 0 HE21 GLN A 16 2.514 -4.931 -22.421 1.00 14.23 H new ATOM 0 HE22 GLN A 16 2.002 -6.288 -21.413 1.00 14.23 H new ATOM 252 N LYS A 17 3.147 -0.139 -20.442 1.00 53.55 N ATOM 253 CA LYS A 17 2.474 0.931 -19.715 1.00 12.10 C ATOM 254 C LYS A 17 1.345 1.529 -20.548 1.00 52.21 C ATOM 255 O LYS A 17 0.335 1.979 -20.009 1.00 54.12 O ATOM 256 CB LYS A 17 3.475 2.024 -19.333 1.00 55.22 C ATOM 257 CG LYS A 17 3.545 2.290 -17.839 1.00 74.14 C ATOM 258 CD LYS A 17 4.066 1.080 -17.082 1.00 11.33 C ATOM 259 CE LYS A 17 3.618 1.098 -15.628 1.00 63.22 C ATOM 260 NZ LYS A 17 4.068 2.331 -14.924 1.00 74.22 N ATOM 0 H LYS A 17 4.164 -0.058 -20.465 1.00 53.55 H new ATOM 0 HA LYS A 17 2.046 0.506 -18.807 1.00 12.10 H new ATOM 0 HB2 LYS A 17 4.465 1.739 -19.690 1.00 55.22 H new ATOM 0 HB3 LYS A 17 3.205 2.947 -19.846 1.00 55.22 H new ATOM 0 HG2 LYS A 17 4.194 3.145 -17.651 1.00 74.14 H new ATOM 0 HG3 LYS A 17 2.554 2.554 -17.468 1.00 74.14 H new ATOM 0 HD2 LYS A 17 3.711 0.168 -17.562 1.00 11.33 H new ATOM 0 HD3 LYS A 17 5.155 1.061 -17.128 1.00 11.33 H new ATOM 0 HE2 LYS A 17 2.531 1.030 -15.582 1.00 63.22 H new ATOM 0 HE3 LYS A 17 4.014 0.222 -15.115 1.00 63.22 H new ATOM 0 HZ1 LYS A 17 3.863 2.245 -13.908 1.00 74.22 H new ATOM 0 HZ2 LYS A 17 5.091 2.455 -15.061 1.00 74.22 H new ATOM 0 HZ3 LYS A 17 3.564 3.155 -15.311 1.00 74.22 H new ATOM 274 N ASN A 18 1.523 1.529 -21.865 1.00 44.32 N ATOM 275 CA ASN A 18 0.519 2.071 -22.773 1.00 14.53 C ATOM 276 C ASN A 18 -0.745 1.216 -22.759 1.00 2.42 C ATOM 277 O ASN A 18 -1.859 1.739 -22.739 1.00 62.32 O ATOM 278 CB ASN A 18 1.077 2.153 -24.195 1.00 11.42 C ATOM 279 CG ASN A 18 1.407 3.575 -24.605 1.00 50.53 C ATOM 280 OD1 ASN A 18 0.630 4.499 -24.363 1.00 42.44 O ATOM 281 ND2 ASN A 18 2.564 3.757 -25.230 1.00 44.15 N ATOM 0 H ASN A 18 2.354 1.159 -22.327 1.00 44.32 H new ATOM 0 HA ASN A 18 0.262 3.074 -22.433 1.00 14.53 H new ATOM 0 HB2 ASN A 18 1.975 1.540 -24.266 1.00 11.42 H new ATOM 0 HB3 ASN A 18 0.350 1.736 -24.892 1.00 11.42 H new ATOM 0 HD21 ASN A 18 2.840 4.692 -25.530 1.00 44.15 H new ATOM 0 HD22 ASN A 18 3.177 2.962 -25.410 1.00 44.15 H new ATOM 288 N GLU A 19 -0.562 -0.100 -22.769 1.00 21.34 N ATOM 289 CA GLU A 19 -1.688 -1.027 -22.757 1.00 65.34 C ATOM 290 C GLU A 19 -2.330 -1.087 -21.374 1.00 44.23 C ATOM 291 O GLU A 19 -3.553 -1.137 -21.247 1.00 72.12 O ATOM 292 CB GLU A 19 -1.230 -2.425 -23.180 1.00 10.02 C ATOM 293 CG GLU A 19 -0.985 -2.560 -24.673 1.00 55.24 C ATOM 294 CD GLU A 19 -0.975 -4.004 -25.135 1.00 24.22 C ATOM 295 OE1 GLU A 19 0.006 -4.716 -24.835 1.00 22.24 O ATOM 296 OE2 GLU A 19 -1.948 -4.422 -25.796 1.00 71.41 O ATOM 0 H GLU A 19 0.354 -0.548 -22.785 1.00 21.34 H new ATOM 0 HA GLU A 19 -2.431 -0.665 -23.467 1.00 65.34 H new ATOM 0 HB2 GLU A 19 -0.313 -2.675 -22.646 1.00 10.02 H new ATOM 0 HB3 GLU A 19 -1.983 -3.152 -22.877 1.00 10.02 H new ATOM 0 HG2 GLU A 19 -1.758 -2.015 -25.215 1.00 55.24 H new ATOM 0 HG3 GLU A 19 -0.031 -2.096 -24.924 1.00 55.24 H new ATOM 303 N PHE A 20 -1.495 -1.081 -20.340 1.00 61.23 N ATOM 304 CA PHE A 20 -1.980 -1.136 -18.966 1.00 63.01 C ATOM 305 C PHE A 20 -2.762 0.126 -18.615 1.00 32.14 C ATOM 306 O PHE A 20 -3.688 0.091 -17.804 1.00 32.01 O ATOM 307 CB PHE A 20 -0.809 -1.310 -17.996 1.00 71.54 C ATOM 308 CG PHE A 20 -0.238 -2.700 -17.990 1.00 0.31 C ATOM 309 CD1 PHE A 20 -0.964 -3.759 -17.469 1.00 3.21 C ATOM 310 CD2 PHE A 20 1.024 -2.946 -18.505 1.00 63.51 C ATOM 311 CE1 PHE A 20 -0.440 -5.038 -17.461 1.00 51.21 C ATOM 312 CE2 PHE A 20 1.553 -4.224 -18.500 1.00 50.44 C ATOM 313 CZ PHE A 20 0.819 -5.271 -17.979 1.00 2.25 C ATOM 0 H PHE A 20 -0.480 -1.039 -20.428 1.00 61.23 H new ATOM 0 HA PHE A 20 -2.648 -1.993 -18.877 1.00 63.01 H new ATOM 0 HB2 PHE A 20 -0.022 -0.603 -18.259 1.00 71.54 H new ATOM 0 HB3 PHE A 20 -1.141 -1.058 -16.989 1.00 71.54 H new ATOM 0 HD1 PHE A 20 -1.950 -3.583 -17.065 1.00 3.21 H new ATOM 0 HD2 PHE A 20 1.602 -2.131 -18.915 1.00 63.51 H new ATOM 0 HE1 PHE A 20 -1.015 -5.855 -17.050 1.00 51.21 H new ATOM 0 HE2 PHE A 20 2.539 -4.403 -18.903 1.00 50.44 H new ATOM 0 HZ PHE A 20 1.229 -6.270 -17.977 1.00 2.25 H new ATOM 323 N LYS A 21 -2.383 1.241 -19.230 1.00 62.31 N ATOM 324 CA LYS A 21 -3.047 2.515 -18.985 1.00 14.03 C ATOM 325 C LYS A 21 -4.336 2.621 -19.794 1.00 41.40 C ATOM 326 O LYS A 21 -5.354 3.103 -19.297 1.00 62.35 O ATOM 327 CB LYS A 21 -2.115 3.676 -19.336 1.00 5.20 C ATOM 328 CG LYS A 21 -2.555 5.008 -18.753 1.00 23.22 C ATOM 329 CD LYS A 21 -1.729 6.158 -19.304 1.00 4.14 C ATOM 330 CE LYS A 21 -2.388 7.501 -19.026 1.00 64.50 C ATOM 331 NZ LYS A 21 -1.957 8.542 -20.000 1.00 33.40 N ATOM 0 H LYS A 21 -1.618 1.288 -19.903 1.00 62.31 H new ATOM 0 HA LYS A 21 -3.298 2.567 -17.926 1.00 14.03 H new ATOM 0 HB2 LYS A 21 -1.111 3.446 -18.978 1.00 5.20 H new ATOM 0 HB3 LYS A 21 -2.054 3.766 -20.421 1.00 5.20 H new ATOM 0 HG2 LYS A 21 -3.608 5.175 -18.978 1.00 23.22 H new ATOM 0 HG3 LYS A 21 -2.462 4.980 -17.667 1.00 23.22 H new ATOM 0 HD2 LYS A 21 -0.735 6.140 -18.857 1.00 4.14 H new ATOM 0 HD3 LYS A 21 -1.598 6.031 -20.379 1.00 4.14 H new ATOM 0 HE2 LYS A 21 -3.471 7.390 -19.069 1.00 64.50 H new ATOM 0 HE3 LYS A 21 -2.141 7.825 -18.015 1.00 64.50 H new ATOM 0 HZ1 LYS A 21 -2.428 9.442 -19.777 1.00 33.40 H new ATOM 0 HZ2 LYS A 21 -0.926 8.667 -19.942 1.00 33.40 H new ATOM 0 HZ3 LYS A 21 -2.216 8.245 -20.963 1.00 33.40 H new ATOM 345 N ALA A 22 -4.285 2.168 -21.042 1.00 65.12 N ATOM 346 CA ALA A 22 -5.449 2.209 -21.918 1.00 44.15 C ATOM 347 C ALA A 22 -6.491 1.180 -21.495 1.00 14.43 C ATOM 348 O ALA A 22 -7.654 1.517 -21.270 1.00 44.12 O ATOM 349 CB ALA A 22 -5.031 1.976 -23.363 1.00 25.53 C ATOM 0 H ALA A 22 -3.450 1.768 -21.469 1.00 65.12 H new ATOM 0 HA ALA A 22 -5.899 3.198 -21.836 1.00 44.15 H new ATOM 0 HB1 ALA A 22 -5.910 2.009 -24.006 1.00 25.53 H new ATOM 0 HB2 ALA A 22 -4.329 2.752 -23.668 1.00 25.53 H new ATOM 0 HB3 ALA A 22 -4.554 1.000 -23.451 1.00 25.53 H new ATOM 355 N ALA A 23 -6.068 -0.075 -21.388 1.00 13.11 N ATOM 356 CA ALA A 23 -6.966 -1.152 -20.990 1.00 23.31 C ATOM 357 C ALA A 23 -7.668 -0.825 -19.677 1.00 0.14 C ATOM 358 O ALA A 23 -8.784 -1.281 -19.427 1.00 53.34 O ATOM 359 CB ALA A 23 -6.198 -2.461 -20.869 1.00 15.44 C ATOM 0 H ALA A 23 -5.109 -0.371 -21.571 1.00 13.11 H new ATOM 0 HA ALA A 23 -7.728 -1.260 -21.761 1.00 23.31 H new ATOM 0 HB1 ALA A 23 -6.880 -3.257 -20.571 1.00 15.44 H new ATOM 0 HB2 ALA A 23 -5.748 -2.709 -21.830 1.00 15.44 H new ATOM 0 HB3 ALA A 23 -5.415 -2.355 -20.119 1.00 15.44 H new ATOM 365 N PHE A 24 -7.007 -0.033 -18.839 1.00 1.11 N ATOM 366 CA PHE A 24 -7.568 0.354 -17.550 1.00 5.14 C ATOM 367 C PHE A 24 -8.808 1.224 -17.735 1.00 24.24 C ATOM 368 O PHE A 24 -9.733 1.185 -16.924 1.00 30.34 O ATOM 369 CB PHE A 24 -6.523 1.105 -16.720 1.00 75.32 C ATOM 370 CG PHE A 24 -7.046 1.596 -15.401 1.00 33.35 C ATOM 371 CD1 PHE A 24 -7.268 0.713 -14.356 1.00 65.41 C ATOM 372 CD2 PHE A 24 -7.317 2.940 -15.205 1.00 0.53 C ATOM 373 CE1 PHE A 24 -7.748 1.161 -13.140 1.00 52.22 C ATOM 374 CE2 PHE A 24 -7.797 3.395 -13.991 1.00 73.21 C ATOM 375 CZ PHE A 24 -8.014 2.504 -12.958 1.00 14.00 C ATOM 0 H PHE A 24 -6.082 0.353 -19.030 1.00 1.11 H new ATOM 0 HA PHE A 24 -7.859 -0.554 -17.021 1.00 5.14 H new ATOM 0 HB2 PHE A 24 -5.671 0.448 -16.542 1.00 75.32 H new ATOM 0 HB3 PHE A 24 -6.156 1.955 -17.295 1.00 75.32 H new ATOM 0 HD1 PHE A 24 -7.063 -0.338 -14.494 1.00 65.41 H new ATOM 0 HD2 PHE A 24 -7.151 3.641 -16.010 1.00 0.53 H new ATOM 0 HE1 PHE A 24 -7.915 0.462 -12.334 1.00 52.22 H new ATOM 0 HE2 PHE A 24 -8.002 4.446 -13.850 1.00 73.21 H new ATOM 0 HZ PHE A 24 -8.391 2.857 -12.010 1.00 14.00 H new ATOM 385 N ASP A 25 -8.818 2.008 -18.807 1.00 0.13 N ATOM 386 CA ASP A 25 -9.944 2.888 -19.100 1.00 24.42 C ATOM 387 C ASP A 25 -11.196 2.078 -19.423 1.00 2.41 C ATOM 388 O ASP A 25 -12.298 2.428 -19.000 1.00 74.42 O ATOM 389 CB ASP A 25 -9.604 3.814 -20.269 1.00 30.42 C ATOM 390 CG ASP A 25 -10.622 4.924 -20.442 1.00 44.03 C ATOM 391 OD1 ASP A 25 -10.922 5.615 -19.446 1.00 42.11 O ATOM 392 OD2 ASP A 25 -11.117 5.103 -21.574 1.00 70.54 O ATOM 0 H ASP A 25 -8.060 2.053 -19.488 1.00 0.13 H new ATOM 0 HA ASP A 25 -10.142 3.492 -18.215 1.00 24.42 H new ATOM 0 HB2 ASP A 25 -8.618 4.251 -20.108 1.00 30.42 H new ATOM 0 HB3 ASP A 25 -9.548 3.230 -21.187 1.00 30.42 H new ATOM 397 N ILE A 26 -11.018 0.997 -20.175 1.00 2.52 N ATOM 398 CA ILE A 26 -12.133 0.139 -20.554 1.00 52.32 C ATOM 399 C ILE A 26 -12.730 -0.558 -19.336 1.00 44.31 C ATOM 400 O ILE A 26 -13.911 -0.906 -19.323 1.00 4.53 O ATOM 401 CB ILE A 26 -11.701 -0.925 -21.580 1.00 51.01 C ATOM 402 CG1 ILE A 26 -11.233 -0.257 -22.874 1.00 43.43 C ATOM 403 CG2 ILE A 26 -12.846 -1.887 -21.859 1.00 22.51 C ATOM 404 CD1 ILE A 26 -9.737 -0.335 -23.088 1.00 12.11 C ATOM 0 H ILE A 26 -10.112 0.695 -20.534 1.00 2.52 H new ATOM 0 HA ILE A 26 -12.887 0.783 -21.006 1.00 52.32 H new ATOM 0 HB ILE A 26 -10.868 -1.492 -21.164 1.00 51.01 H new ATOM 0 HG12 ILE A 26 -11.738 -0.726 -23.719 1.00 43.43 H new ATOM 0 HG13 ILE A 26 -11.536 0.790 -22.863 1.00 43.43 H new ATOM 0 HG21 ILE A 26 -12.525 -2.633 -22.586 1.00 22.51 H new ATOM 0 HG22 ILE A 26 -13.138 -2.384 -20.934 1.00 22.51 H new ATOM 0 HG23 ILE A 26 -13.697 -1.334 -22.258 1.00 22.51 H new ATOM 0 HD11 ILE A 26 -9.477 0.159 -24.024 1.00 12.11 H new ATOM 0 HD12 ILE A 26 -9.225 0.160 -22.263 1.00 12.11 H new ATOM 0 HD13 ILE A 26 -9.430 -1.380 -23.131 1.00 12.11 H new ATOM 416 N PHE A 27 -11.905 -0.757 -18.313 1.00 35.21 N ATOM 417 CA PHE A 27 -12.351 -1.412 -17.089 1.00 33.24 C ATOM 418 C PHE A 27 -13.147 -0.447 -16.214 1.00 62.23 C ATOM 419 O PHE A 27 -14.192 -0.803 -15.670 1.00 11.22 O ATOM 420 CB PHE A 27 -11.151 -1.954 -16.309 1.00 14.22 C ATOM 421 CG PHE A 27 -10.697 -3.308 -16.772 1.00 73.42 C ATOM 422 CD1 PHE A 27 -10.380 -3.529 -18.103 1.00 21.43 C ATOM 423 CD2 PHE A 27 -10.587 -4.360 -15.877 1.00 72.44 C ATOM 424 CE1 PHE A 27 -9.963 -4.775 -18.532 1.00 25.22 C ATOM 425 CE2 PHE A 27 -10.170 -5.608 -16.301 1.00 21.44 C ATOM 426 CZ PHE A 27 -9.856 -5.816 -17.630 1.00 12.55 C ATOM 0 H PHE A 27 -10.925 -0.474 -18.307 1.00 35.21 H new ATOM 0 HA PHE A 27 -13.000 -2.242 -17.367 1.00 33.24 H new ATOM 0 HB2 PHE A 27 -10.322 -1.252 -16.399 1.00 14.22 H new ATOM 0 HB3 PHE A 27 -11.410 -2.008 -15.252 1.00 14.22 H new ATOM 0 HD1 PHE A 27 -10.460 -2.719 -18.813 1.00 21.43 H new ATOM 0 HD2 PHE A 27 -10.830 -4.203 -14.836 1.00 72.44 H new ATOM 0 HE1 PHE A 27 -9.721 -4.935 -19.572 1.00 25.22 H new ATOM 0 HE2 PHE A 27 -10.090 -6.420 -15.593 1.00 21.44 H new ATOM 0 HZ PHE A 27 -9.528 -6.790 -17.963 1.00 12.55 H new ATOM 436 N VAL A 28 -12.643 0.776 -16.084 1.00 55.20 N ATOM 437 CA VAL A 28 -13.306 1.794 -15.277 1.00 32.41 C ATOM 438 C VAL A 28 -14.380 2.519 -16.080 1.00 61.11 C ATOM 439 O VAL A 28 -14.982 3.482 -15.604 1.00 55.11 O ATOM 440 CB VAL A 28 -12.299 2.826 -14.737 1.00 43.25 C ATOM 441 CG1 VAL A 28 -11.202 2.137 -13.940 1.00 33.40 C ATOM 442 CG2 VAL A 28 -11.708 3.640 -15.879 1.00 23.11 C ATOM 0 H VAL A 28 -11.778 1.086 -16.527 1.00 55.20 H new ATOM 0 HA VAL A 28 -13.771 1.278 -14.437 1.00 32.41 H new ATOM 0 HB VAL A 28 -12.826 3.507 -14.069 1.00 43.25 H new ATOM 0 HG11 VAL A 28 -10.500 2.883 -13.567 1.00 33.40 H new ATOM 0 HG12 VAL A 28 -11.644 1.602 -13.099 1.00 33.40 H new ATOM 0 HG13 VAL A 28 -10.674 1.432 -14.582 1.00 33.40 H new ATOM 0 HG21 VAL A 28 -10.998 4.365 -15.480 1.00 23.11 H new ATOM 0 HG22 VAL A 28 -11.195 2.974 -16.573 1.00 23.11 H new ATOM 0 HG23 VAL A 28 -12.507 4.165 -16.403 1.00 23.11 H new ATOM 452 N LEU A 29 -14.615 2.050 -17.301 1.00 13.53 N ATOM 453 CA LEU A 29 -15.618 2.654 -18.172 1.00 2.23 C ATOM 454 C LEU A 29 -16.975 2.718 -17.478 1.00 4.32 C ATOM 455 O LEU A 29 -17.800 3.577 -17.784 1.00 52.34 O ATOM 456 CB LEU A 29 -15.735 1.860 -19.474 1.00 12.21 C ATOM 457 CG LEU A 29 -15.065 2.480 -20.701 1.00 13.03 C ATOM 458 CD1 LEU A 29 -15.250 1.587 -21.918 1.00 52.40 C ATOM 459 CD2 LEU A 29 -15.623 3.871 -20.967 1.00 63.32 C ATOM 0 H LEU A 29 -14.125 1.254 -17.710 1.00 13.53 H new ATOM 0 HA LEU A 29 -15.300 3.671 -18.401 1.00 2.23 H new ATOM 0 HB2 LEU A 29 -15.307 0.871 -19.312 1.00 12.21 H new ATOM 0 HB3 LEU A 29 -16.793 1.718 -19.696 1.00 12.21 H new ATOM 0 HG LEU A 29 -13.997 2.571 -20.502 1.00 13.03 H new ATOM 0 HD11 LEU A 29 -14.767 2.044 -22.782 1.00 52.40 H new ATOM 0 HD12 LEU A 29 -14.802 0.612 -21.725 1.00 52.40 H new ATOM 0 HD13 LEU A 29 -16.314 1.464 -22.121 1.00 52.40 H new ATOM 0 HD21 LEU A 29 -15.135 4.297 -21.844 1.00 63.32 H new ATOM 0 HD22 LEU A 29 -16.696 3.804 -21.146 1.00 63.32 H new ATOM 0 HD23 LEU A 29 -15.438 4.509 -20.103 1.00 63.32 H new ATOM 471 N GLY A 30 -17.197 1.804 -16.539 1.00 32.34 N ATOM 472 CA GLY A 30 -18.454 1.775 -15.814 1.00 13.30 C ATOM 473 C GLY A 30 -18.447 2.689 -14.605 1.00 12.33 C ATOM 474 O GLY A 30 -19.493 3.184 -14.186 1.00 53.34 O ATOM 0 H GLY A 30 -16.529 1.083 -16.267 1.00 32.34 H new ATOM 0 HA2 GLY A 30 -19.263 2.069 -16.483 1.00 13.30 H new ATOM 0 HA3 GLY A 30 -18.661 0.754 -15.493 1.00 13.30 H new ATOM 478 N ALA A 31 -17.265 2.913 -14.041 1.00 22.44 N ATOM 479 CA ALA A 31 -17.126 3.773 -12.872 1.00 51.34 C ATOM 480 C ALA A 31 -17.282 5.242 -13.251 1.00 45.22 C ATOM 481 O ALA A 31 -17.103 5.615 -14.410 1.00 4.50 O ATOM 482 CB ALA A 31 -15.781 3.539 -12.201 1.00 30.11 C ATOM 0 H ALA A 31 -16.389 2.511 -14.375 1.00 22.44 H new ATOM 0 HA ALA A 31 -17.919 3.519 -12.168 1.00 51.34 H new ATOM 0 HB1 ALA A 31 -15.691 4.188 -11.330 1.00 30.11 H new ATOM 0 HB2 ALA A 31 -15.707 2.498 -11.887 1.00 30.11 H new ATOM 0 HB3 ALA A 31 -14.979 3.763 -12.905 1.00 30.11 H new ATOM 488 N GLU A 32 -17.616 6.070 -12.267 1.00 12.34 N ATOM 489 CA GLU A 32 -17.797 7.498 -12.499 1.00 11.51 C ATOM 490 C GLU A 32 -16.577 8.285 -12.028 1.00 52.10 C ATOM 491 O GLU A 32 -16.302 9.379 -12.522 1.00 31.13 O ATOM 492 CB GLU A 32 -19.050 8.000 -11.779 1.00 14.25 C ATOM 493 CG GLU A 32 -18.980 7.862 -10.267 1.00 70.00 C ATOM 494 CD GLU A 32 -18.293 9.041 -9.605 1.00 35.33 C ATOM 495 OE1 GLU A 32 -18.259 10.128 -10.218 1.00 73.14 O ATOM 496 OE2 GLU A 32 -17.790 8.876 -8.474 1.00 15.22 O ATOM 0 H GLU A 32 -17.767 5.777 -11.302 1.00 12.34 H new ATOM 0 HA GLU A 32 -17.916 7.653 -13.571 1.00 11.51 H new ATOM 0 HB2 GLU A 32 -19.209 9.048 -12.033 1.00 14.25 H new ATOM 0 HB3 GLU A 32 -19.915 7.448 -12.146 1.00 14.25 H new ATOM 0 HG2 GLU A 32 -19.989 7.763 -9.868 1.00 70.00 H new ATOM 0 HG3 GLU A 32 -18.446 6.946 -10.014 1.00 70.00 H new ATOM 503 N ASP A 33 -15.850 7.720 -11.070 1.00 54.51 N ATOM 504 CA ASP A 33 -14.660 8.368 -10.532 1.00 25.41 C ATOM 505 C ASP A 33 -13.401 7.853 -11.225 1.00 15.15 C ATOM 506 O ASP A 33 -12.411 8.572 -11.349 1.00 51.23 O ATOM 507 CB ASP A 33 -14.561 8.129 -9.024 1.00 64.04 C ATOM 508 CG ASP A 33 -13.791 9.225 -8.314 1.00 11.20 C ATOM 509 OD1 ASP A 33 -14.268 10.379 -8.313 1.00 42.22 O ATOM 510 OD2 ASP A 33 -12.712 8.929 -7.760 1.00 3.25 O ATOM 0 H ASP A 33 -16.064 6.815 -10.650 1.00 54.51 H new ATOM 0 HA ASP A 33 -14.744 9.439 -10.718 1.00 25.41 H new ATOM 0 HB2 ASP A 33 -15.564 8.062 -8.603 1.00 64.04 H new ATOM 0 HB3 ASP A 33 -14.075 7.171 -8.842 1.00 64.04 H new ATOM 515 N GLY A 34 -13.448 6.602 -11.673 1.00 11.13 N ATOM 516 CA GLY A 34 -12.306 6.012 -12.346 1.00 2.21 C ATOM 517 C GLY A 34 -11.665 4.903 -11.536 1.00 61.31 C ATOM 518 O GLY A 34 -10.457 4.919 -11.295 1.00 52.20 O ATOM 0 H GLY A 34 -14.257 5.987 -11.582 1.00 11.13 H new ATOM 0 HA2 GLY A 34 -12.622 5.617 -13.312 1.00 2.21 H new ATOM 0 HA3 GLY A 34 -11.566 6.787 -12.545 1.00 2.21 H new ATOM 522 N CYS A 35 -12.474 3.938 -11.114 1.00 30.41 N ATOM 523 CA CYS A 35 -11.979 2.816 -10.324 1.00 20.13 C ATOM 524 C CYS A 35 -12.731 1.534 -10.668 1.00 43.43 C ATOM 525 O CYS A 35 -13.683 1.553 -11.449 1.00 63.52 O ATOM 526 CB CYS A 35 -12.117 3.117 -8.831 1.00 31.34 C ATOM 527 SG CYS A 35 -13.741 3.752 -8.353 1.00 31.24 S ATOM 0 H CYS A 35 -13.475 3.910 -11.305 1.00 30.41 H new ATOM 0 HA CYS A 35 -10.925 2.673 -10.563 1.00 20.13 H new ATOM 0 HB2 CYS A 35 -11.915 2.206 -8.267 1.00 31.34 H new ATOM 0 HB3 CYS A 35 -11.356 3.844 -8.546 1.00 31.34 H new ATOM 0 HG CYS A 35 -13.760 3.974 -7.072 1.00 31.24 H new ATOM 533 N ILE A 36 -12.296 0.424 -10.083 1.00 22.15 N ATOM 534 CA ILE A 36 -12.927 -0.867 -10.328 1.00 55.53 C ATOM 535 C ILE A 36 -13.262 -1.573 -9.019 1.00 64.31 C ATOM 536 O ILE A 36 -12.369 -2.011 -8.293 1.00 14.35 O ATOM 537 CB ILE A 36 -12.026 -1.782 -11.177 1.00 62.13 C ATOM 538 CG1 ILE A 36 -11.701 -1.116 -12.516 1.00 12.32 C ATOM 539 CG2 ILE A 36 -12.698 -3.129 -11.399 1.00 44.01 C ATOM 540 CD1 ILE A 36 -10.232 -1.163 -12.874 1.00 74.31 C ATOM 0 H ILE A 36 -11.509 0.392 -9.435 1.00 22.15 H new ATOM 0 HA ILE A 36 -13.848 -0.669 -10.876 1.00 55.53 H new ATOM 0 HB ILE A 36 -11.092 -1.947 -10.639 1.00 62.13 H new ATOM 0 HG12 ILE A 36 -12.274 -1.604 -13.304 1.00 12.32 H new ATOM 0 HG13 ILE A 36 -12.026 -0.076 -12.483 1.00 12.32 H new ATOM 0 HG21 ILE A 36 -12.049 -3.765 -12.001 1.00 44.01 H new ATOM 0 HG22 ILE A 36 -12.883 -3.606 -10.437 1.00 44.01 H new ATOM 0 HG23 ILE A 36 -13.645 -2.982 -11.919 1.00 44.01 H new ATOM 0 HD11 ILE A 36 -10.076 -0.673 -13.835 1.00 74.31 H new ATOM 0 HD12 ILE A 36 -9.654 -0.649 -12.106 1.00 74.31 H new ATOM 0 HD13 ILE A 36 -9.906 -2.201 -12.939 1.00 74.31 H new ATOM 552 N SER A 37 -14.553 -1.683 -8.725 1.00 72.00 N ATOM 553 CA SER A 37 -15.006 -2.335 -7.502 1.00 30.21 C ATOM 554 C SER A 37 -15.216 -3.829 -7.729 1.00 35.22 C ATOM 555 O SER A 37 -15.470 -4.270 -8.850 1.00 52.25 O ATOM 556 CB SER A 37 -16.305 -1.695 -7.008 1.00 42.12 C ATOM 557 OG SER A 37 -17.427 -2.223 -7.694 1.00 23.21 O ATOM 0 H SER A 37 -15.304 -1.329 -9.317 1.00 72.00 H new ATOM 0 HA SER A 37 -14.234 -2.205 -6.743 1.00 30.21 H new ATOM 0 HB2 SER A 37 -16.415 -1.868 -5.937 1.00 42.12 H new ATOM 0 HB3 SER A 37 -16.261 -0.616 -7.154 1.00 42.12 H new ATOM 0 HG SER A 37 -18.245 -1.799 -7.359 1.00 23.21 H new ATOM 563 N THR A 38 -15.109 -4.605 -6.655 1.00 31.52 N ATOM 564 CA THR A 38 -15.286 -6.050 -6.735 1.00 41.10 C ATOM 565 C THR A 38 -16.634 -6.405 -7.352 1.00 21.44 C ATOM 566 O THR A 38 -16.805 -7.487 -7.914 1.00 74.11 O ATOM 567 CB THR A 38 -15.180 -6.707 -5.346 1.00 13.32 C ATOM 568 OG1 THR A 38 -15.624 -8.067 -5.412 1.00 11.42 O ATOM 569 CG2 THR A 38 -16.011 -5.946 -4.323 1.00 23.10 C ATOM 0 H THR A 38 -14.901 -4.257 -5.719 1.00 31.52 H new ATOM 0 HA THR A 38 -14.487 -6.432 -7.370 1.00 41.10 H new ATOM 0 HB THR A 38 -14.136 -6.681 -5.035 1.00 13.32 H new ATOM 0 HG1 THR A 38 -15.552 -8.478 -4.525 1.00 11.42 H new ATOM 0 HG21 THR A 38 -15.921 -6.428 -3.350 1.00 23.10 H new ATOM 0 HG22 THR A 38 -15.652 -4.919 -4.254 1.00 23.10 H new ATOM 0 HG23 THR A 38 -17.056 -5.945 -4.632 1.00 23.10 H new ATOM 577 N LYS A 39 -17.589 -5.488 -7.243 1.00 72.22 N ATOM 578 CA LYS A 39 -18.923 -5.703 -7.792 1.00 22.21 C ATOM 579 C LYS A 39 -18.877 -5.792 -9.314 1.00 12.40 C ATOM 580 O LYS A 39 -19.345 -6.766 -9.902 1.00 22.22 O ATOM 581 CB LYS A 39 -19.861 -4.573 -7.364 1.00 12.40 C ATOM 582 CG LYS A 39 -21.315 -4.997 -7.255 1.00 74.34 C ATOM 583 CD LYS A 39 -21.544 -5.904 -6.057 1.00 43.44 C ATOM 584 CE LYS A 39 -21.776 -5.100 -4.787 1.00 31.20 C ATOM 585 NZ LYS A 39 -22.149 -5.973 -3.639 1.00 43.22 N ATOM 0 H LYS A 39 -17.464 -4.588 -6.779 1.00 72.22 H new ATOM 0 HA LYS A 39 -19.302 -6.648 -7.402 1.00 22.21 H new ATOM 0 HB2 LYS A 39 -19.532 -4.184 -6.400 1.00 12.40 H new ATOM 0 HB3 LYS A 39 -19.782 -3.756 -8.081 1.00 12.40 H new ATOM 0 HG2 LYS A 39 -21.947 -4.113 -7.169 1.00 74.34 H new ATOM 0 HG3 LYS A 39 -21.613 -5.515 -8.167 1.00 74.34 H new ATOM 0 HD2 LYS A 39 -22.404 -6.546 -6.245 1.00 43.44 H new ATOM 0 HD3 LYS A 39 -20.682 -6.557 -5.923 1.00 43.44 H new ATOM 0 HE2 LYS A 39 -20.873 -4.542 -4.540 1.00 31.20 H new ATOM 0 HE3 LYS A 39 -22.566 -4.369 -4.959 1.00 31.20 H new ATOM 0 HZ1 LYS A 39 -22.299 -5.388 -2.792 1.00 43.22 H new ATOM 0 HZ2 LYS A 39 -23.025 -6.487 -3.864 1.00 43.22 H new ATOM 0 HZ3 LYS A 39 -21.384 -6.654 -3.458 1.00 43.22 H new ATOM 599 N GLU A 40 -18.310 -4.768 -9.945 1.00 62.30 N ATOM 600 CA GLU A 40 -18.203 -4.732 -11.399 1.00 33.42 C ATOM 601 C GLU A 40 -17.089 -5.655 -11.886 1.00 14.13 C ATOM 602 O GLU A 40 -17.217 -6.307 -12.923 1.00 5.10 O ATOM 603 CB GLU A 40 -17.943 -3.303 -11.878 1.00 44.12 C ATOM 604 CG GLU A 40 -18.827 -2.265 -11.208 1.00 32.32 C ATOM 605 CD GLU A 40 -19.456 -1.306 -12.200 1.00 5.22 C ATOM 606 OE1 GLU A 40 -18.834 -1.052 -13.253 1.00 54.41 O ATOM 607 OE2 GLU A 40 -20.567 -0.809 -11.923 1.00 72.21 O ATOM 0 H GLU A 40 -17.918 -3.953 -9.473 1.00 62.30 H new ATOM 0 HA GLU A 40 -19.148 -5.081 -11.816 1.00 33.42 H new ATOM 0 HB2 GLU A 40 -16.899 -3.052 -11.694 1.00 44.12 H new ATOM 0 HB3 GLU A 40 -18.096 -3.257 -12.956 1.00 44.12 H new ATOM 0 HG2 GLU A 40 -19.614 -2.770 -10.648 1.00 32.32 H new ATOM 0 HG3 GLU A 40 -18.236 -1.700 -10.487 1.00 32.32 H new ATOM 614 N LEU A 41 -15.998 -5.704 -11.130 1.00 63.03 N ATOM 615 CA LEU A 41 -14.860 -6.546 -11.484 1.00 10.12 C ATOM 616 C LEU A 41 -15.305 -7.981 -11.746 1.00 32.11 C ATOM 617 O LEU A 41 -14.719 -8.683 -12.568 1.00 64.52 O ATOM 618 CB LEU A 41 -13.815 -6.520 -10.367 1.00 42.02 C ATOM 619 CG LEU A 41 -12.563 -7.367 -10.600 1.00 11.03 C ATOM 620 CD1 LEU A 41 -12.081 -7.225 -12.035 1.00 53.50 C ATOM 621 CD2 LEU A 41 -11.464 -6.973 -9.624 1.00 44.44 C ATOM 0 H LEU A 41 -15.877 -5.171 -10.269 1.00 63.03 H new ATOM 0 HA LEU A 41 -14.417 -6.150 -12.398 1.00 10.12 H new ATOM 0 HB2 LEU A 41 -13.506 -5.487 -10.210 1.00 42.02 H new ATOM 0 HB3 LEU A 41 -14.290 -6.855 -9.445 1.00 42.02 H new ATOM 0 HG LEU A 41 -12.818 -8.413 -10.427 1.00 11.03 H new ATOM 0 HD11 LEU A 41 -11.190 -7.835 -12.181 1.00 53.50 H new ATOM 0 HD12 LEU A 41 -12.864 -7.558 -12.716 1.00 53.50 H new ATOM 0 HD13 LEU A 41 -11.843 -6.181 -12.237 1.00 53.50 H new ATOM 0 HD21 LEU A 41 -10.581 -7.586 -9.804 1.00 44.44 H new ATOM 0 HD22 LEU A 41 -11.212 -5.922 -9.765 1.00 44.44 H new ATOM 0 HD23 LEU A 41 -11.811 -7.129 -8.603 1.00 44.44 H new ATOM 633 N GLY A 42 -16.349 -8.410 -11.042 1.00 4.21 N ATOM 634 CA GLY A 42 -16.856 -9.758 -11.214 1.00 73.34 C ATOM 635 C GLY A 42 -17.601 -9.934 -12.523 1.00 20.52 C ATOM 636 O GLY A 42 -17.611 -11.023 -13.099 1.00 13.32 O ATOM 0 H GLY A 42 -16.852 -7.847 -10.356 1.00 4.21 H new ATOM 0 HA2 GLY A 42 -16.026 -10.463 -11.174 1.00 73.34 H new ATOM 0 HA3 GLY A 42 -17.521 -10.001 -10.385 1.00 73.34 H new ATOM 640 N LYS A 43 -18.228 -8.862 -12.994 1.00 0.01 N ATOM 641 CA LYS A 43 -18.980 -8.902 -14.243 1.00 2.54 C ATOM 642 C LYS A 43 -18.047 -9.102 -15.433 1.00 53.40 C ATOM 643 O LYS A 43 -18.289 -9.954 -16.288 1.00 34.14 O ATOM 644 CB LYS A 43 -19.781 -7.610 -14.420 1.00 52.05 C ATOM 645 CG LYS A 43 -21.271 -7.780 -14.179 1.00 31.50 C ATOM 646 CD LYS A 43 -22.083 -6.757 -14.955 1.00 64.14 C ATOM 647 CE LYS A 43 -23.020 -7.426 -15.948 1.00 74.53 C ATOM 648 NZ LYS A 43 -24.266 -6.637 -16.154 1.00 11.32 N ATOM 0 H LYS A 43 -18.231 -7.954 -12.530 1.00 0.01 H new ATOM 0 HA LYS A 43 -19.668 -9.746 -14.198 1.00 2.54 H new ATOM 0 HB2 LYS A 43 -19.394 -6.856 -13.734 1.00 52.05 H new ATOM 0 HB3 LYS A 43 -19.626 -7.232 -15.430 1.00 52.05 H new ATOM 0 HG2 LYS A 43 -21.575 -8.785 -14.472 1.00 31.50 H new ATOM 0 HG3 LYS A 43 -21.482 -7.681 -13.114 1.00 31.50 H new ATOM 0 HD2 LYS A 43 -22.662 -6.148 -14.261 1.00 64.14 H new ATOM 0 HD3 LYS A 43 -21.410 -6.083 -15.485 1.00 64.14 H new ATOM 0 HE2 LYS A 43 -22.508 -7.552 -16.902 1.00 74.53 H new ATOM 0 HE3 LYS A 43 -23.277 -8.423 -15.590 1.00 74.53 H new ATOM 0 HZ1 LYS A 43 -24.878 -7.127 -16.838 1.00 11.32 H new ATOM 0 HZ2 LYS A 43 -24.768 -6.538 -15.249 1.00 11.32 H new ATOM 0 HZ3 LYS A 43 -24.023 -5.694 -16.520 1.00 11.32 H new ATOM 662 N VAL A 44 -16.980 -8.311 -15.482 1.00 65.41 N ATOM 663 CA VAL A 44 -16.009 -8.404 -16.566 1.00 51.23 C ATOM 664 C VAL A 44 -15.438 -9.813 -16.674 1.00 22.12 C ATOM 665 O VAL A 44 -15.231 -10.328 -17.772 1.00 40.34 O ATOM 666 CB VAL A 44 -14.852 -7.406 -16.371 1.00 31.24 C ATOM 667 CG1 VAL A 44 -13.837 -7.539 -17.495 1.00 44.32 C ATOM 668 CG2 VAL A 44 -15.384 -5.984 -16.287 1.00 13.54 C ATOM 0 H VAL A 44 -16.766 -7.599 -14.784 1.00 65.41 H new ATOM 0 HA VAL A 44 -16.539 -8.159 -17.487 1.00 51.23 H new ATOM 0 HB VAL A 44 -14.350 -7.637 -15.432 1.00 31.24 H new ATOM 0 HG11 VAL A 44 -13.027 -6.826 -17.340 1.00 44.32 H new ATOM 0 HG12 VAL A 44 -13.433 -8.551 -17.502 1.00 44.32 H new ATOM 0 HG13 VAL A 44 -14.322 -7.335 -18.449 1.00 44.32 H new ATOM 0 HG21 VAL A 44 -14.553 -5.292 -16.149 1.00 13.54 H new ATOM 0 HG22 VAL A 44 -15.912 -5.738 -17.208 1.00 13.54 H new ATOM 0 HG23 VAL A 44 -16.069 -5.901 -15.443 1.00 13.54 H new ATOM 678 N MET A 45 -15.185 -10.432 -15.525 1.00 72.54 N ATOM 679 CA MET A 45 -14.639 -11.784 -15.491 1.00 20.24 C ATOM 680 C MET A 45 -15.468 -12.728 -16.357 1.00 5.24 C ATOM 681 O MET A 45 -14.923 -13.585 -17.053 1.00 53.53 O ATOM 682 CB MET A 45 -14.593 -12.302 -14.052 1.00 10.23 C ATOM 683 CG MET A 45 -13.755 -11.439 -13.122 1.00 32.00 C ATOM 684 SD MET A 45 -12.170 -12.195 -12.714 1.00 1.24 S ATOM 685 CE MET A 45 -11.642 -12.767 -14.327 1.00 0.23 C ATOM 0 H MET A 45 -15.349 -10.020 -14.607 1.00 72.54 H new ATOM 0 HA MET A 45 -13.625 -11.749 -15.890 1.00 20.24 H new ATOM 0 HB2 MET A 45 -15.609 -12.360 -13.663 1.00 10.23 H new ATOM 0 HB3 MET A 45 -14.193 -13.316 -14.052 1.00 10.23 H new ATOM 0 HG2 MET A 45 -13.581 -10.470 -13.590 1.00 32.00 H new ATOM 0 HG3 MET A 45 -14.312 -11.254 -12.204 1.00 32.00 H new ATOM 0 HE1 MET A 45 -10.605 -13.097 -14.274 1.00 0.23 H new ATOM 0 HE2 MET A 45 -12.272 -13.599 -14.642 1.00 0.23 H new ATOM 0 HE3 MET A 45 -11.728 -11.954 -15.048 1.00 0.23 H new ATOM 695 N ARG A 46 -16.786 -12.565 -16.307 1.00 44.14 N ATOM 696 CA ARG A 46 -17.689 -13.404 -17.086 1.00 44.44 C ATOM 697 C ARG A 46 -17.395 -13.279 -18.579 1.00 21.15 C ATOM 698 O ARG A 46 -17.368 -14.275 -19.301 1.00 12.00 O ATOM 699 CB ARG A 46 -19.143 -13.019 -16.808 1.00 70.42 C ATOM 700 CG ARG A 46 -19.496 -12.999 -15.330 1.00 24.41 C ATOM 701 CD ARG A 46 -20.980 -12.751 -15.115 1.00 13.14 C ATOM 702 NE ARG A 46 -21.300 -12.531 -13.707 1.00 31.44 N ATOM 703 CZ ARG A 46 -22.432 -11.977 -13.288 1.00 33.21 C ATOM 704 NH1 ARG A 46 -23.348 -11.589 -14.165 1.00 11.15 N ATOM 705 NH2 ARG A 46 -22.651 -11.811 -11.990 1.00 4.13 N ATOM 0 H ARG A 46 -17.252 -11.860 -15.736 1.00 44.14 H new ATOM 0 HA ARG A 46 -17.531 -14.440 -16.787 1.00 44.44 H new ATOM 0 HB2 ARG A 46 -19.337 -12.034 -17.232 1.00 70.42 H new ATOM 0 HB3 ARG A 46 -19.800 -13.722 -17.320 1.00 70.42 H new ATOM 0 HG2 ARG A 46 -19.215 -13.949 -14.875 1.00 24.41 H new ATOM 0 HG3 ARG A 46 -18.920 -12.222 -14.828 1.00 24.41 H new ATOM 0 HD2 ARG A 46 -21.291 -11.883 -15.697 1.00 13.14 H new ATOM 0 HD3 ARG A 46 -21.548 -13.604 -15.487 1.00 13.14 H new ATOM 0 HE ARG A 46 -20.616 -12.819 -13.007 1.00 31.44 H new ATOM 0 HH11 ARG A 46 -23.184 -11.716 -15.164 1.00 11.15 H new ATOM 0 HH12 ARG A 46 -24.217 -11.164 -13.841 1.00 11.15 H new ATOM 0 HH21 ARG A 46 -21.949 -12.109 -11.312 1.00 4.13 H new ATOM 0 HH22 ARG A 46 -23.521 -11.385 -11.670 1.00 4.13 H new ATOM 719 N MET A 47 -17.176 -12.049 -19.033 1.00 23.54 N ATOM 720 CA MET A 47 -16.883 -11.795 -20.439 1.00 33.25 C ATOM 721 C MET A 47 -15.615 -12.524 -20.870 1.00 44.23 C ATOM 722 O MET A 47 -15.495 -12.956 -22.017 1.00 63.25 O ATOM 723 CB MET A 47 -16.732 -10.293 -20.687 1.00 33.24 C ATOM 724 CG MET A 47 -17.928 -9.477 -20.223 1.00 32.42 C ATOM 725 SD MET A 47 -19.333 -9.604 -21.346 1.00 41.22 S ATOM 726 CE MET A 47 -20.403 -8.323 -20.696 1.00 44.31 C ATOM 0 H MET A 47 -17.196 -11.213 -18.448 1.00 23.54 H new ATOM 0 HA MET A 47 -17.716 -12.172 -21.032 1.00 33.25 H new ATOM 0 HB2 MET A 47 -15.838 -9.936 -20.175 1.00 33.24 H new ATOM 0 HB3 MET A 47 -16.578 -10.123 -21.752 1.00 33.24 H new ATOM 0 HG2 MET A 47 -18.229 -9.813 -19.231 1.00 32.42 H new ATOM 0 HG3 MET A 47 -17.635 -8.431 -20.130 1.00 32.42 H new ATOM 0 HE1 MET A 47 -21.317 -8.278 -21.287 1.00 44.31 H new ATOM 0 HE2 MET A 47 -20.652 -8.549 -19.659 1.00 44.31 H new ATOM 0 HE3 MET A 47 -19.891 -7.362 -20.745 1.00 44.31 H new ATOM 736 N LEU A 48 -14.670 -12.656 -19.946 1.00 31.24 N ATOM 737 CA LEU A 48 -13.409 -13.333 -20.231 1.00 54.40 C ATOM 738 C LEU A 48 -13.609 -14.842 -20.316 1.00 63.44 C ATOM 739 O LEU A 48 -12.781 -15.557 -20.880 1.00 73.23 O ATOM 740 CB LEU A 48 -12.376 -13.003 -19.153 1.00 23.24 C ATOM 741 CG LEU A 48 -11.553 -11.734 -19.376 1.00 55.44 C ATOM 742 CD1 LEU A 48 -12.465 -10.552 -19.668 1.00 51.22 C ATOM 743 CD2 LEU A 48 -10.676 -11.447 -18.167 1.00 3.40 C ATOM 0 H LEU A 48 -14.753 -12.303 -18.993 1.00 31.24 H new ATOM 0 HA LEU A 48 -13.044 -12.979 -21.195 1.00 54.40 H new ATOM 0 HB2 LEU A 48 -12.894 -12.913 -18.198 1.00 23.24 H new ATOM 0 HB3 LEU A 48 -11.690 -13.846 -19.066 1.00 23.24 H new ATOM 0 HG LEU A 48 -10.906 -11.890 -20.239 1.00 55.44 H new ATOM 0 HD11 LEU A 48 -11.862 -9.657 -19.824 1.00 51.22 H new ATOM 0 HD12 LEU A 48 -13.050 -10.757 -20.565 1.00 51.22 H new ATOM 0 HD13 LEU A 48 -13.137 -10.394 -18.825 1.00 51.22 H new ATOM 0 HD21 LEU A 48 -10.098 -10.540 -18.344 1.00 3.40 H new ATOM 0 HD22 LEU A 48 -11.304 -11.311 -17.286 1.00 3.40 H new ATOM 0 HD23 LEU A 48 -9.997 -12.284 -18.003 1.00 3.40 H new ATOM 755 N GLY A 49 -14.714 -15.321 -19.754 1.00 33.22 N ATOM 756 CA GLY A 49 -15.004 -16.743 -19.779 1.00 64.02 C ATOM 757 C GLY A 49 -14.979 -17.365 -18.397 1.00 4.52 C ATOM 758 O GLY A 49 -15.405 -18.504 -18.215 1.00 31.42 O ATOM 0 H GLY A 49 -15.414 -14.749 -19.281 1.00 33.22 H new ATOM 0 HA2 GLY A 49 -15.984 -16.903 -20.228 1.00 64.02 H new ATOM 0 HA3 GLY A 49 -14.276 -17.248 -20.414 1.00 64.02 H new ATOM 762 N GLN A 50 -14.476 -16.614 -17.421 1.00 71.35 N ATOM 763 CA GLN A 50 -14.395 -17.100 -16.049 1.00 71.41 C ATOM 764 C GLN A 50 -15.486 -16.477 -15.185 1.00 54.54 C ATOM 765 O GLN A 50 -15.919 -15.351 -15.432 1.00 22.54 O ATOM 766 CB GLN A 50 -13.019 -16.790 -15.456 1.00 75.43 C ATOM 767 CG GLN A 50 -12.786 -17.427 -14.096 1.00 22.11 C ATOM 768 CD GLN A 50 -11.484 -18.202 -14.030 1.00 14.21 C ATOM 769 OE1 GLN A 50 -11.483 -19.425 -13.886 1.00 51.25 O ATOM 770 NE2 GLN A 50 -10.367 -17.492 -14.135 1.00 22.34 N ATOM 0 H GLN A 50 -14.119 -15.668 -17.556 1.00 71.35 H new ATOM 0 HA GLN A 50 -14.542 -18.180 -16.064 1.00 71.41 H new ATOM 0 HB2 GLN A 50 -12.249 -17.135 -16.146 1.00 75.43 H new ATOM 0 HB3 GLN A 50 -12.906 -15.710 -15.366 1.00 75.43 H new ATOM 0 HG2 GLN A 50 -12.781 -16.650 -13.331 1.00 22.11 H new ATOM 0 HG3 GLN A 50 -13.615 -18.096 -13.866 1.00 22.11 H new ATOM 0 HE21 GLN A 50 -10.415 -16.480 -14.253 1.00 22.34 H new ATOM 0 HE22 GLN A 50 -9.461 -17.959 -14.097 1.00 22.34 H new ATOM 779 N ASN A 51 -15.927 -17.216 -14.173 1.00 14.44 N ATOM 780 CA ASN A 51 -16.969 -16.735 -13.273 1.00 15.14 C ATOM 781 C ASN A 51 -16.636 -17.076 -11.823 1.00 53.23 C ATOM 782 O ASN A 51 -17.206 -17.990 -11.228 1.00 32.32 O ATOM 783 CB ASN A 51 -18.321 -17.342 -13.653 1.00 72.23 C ATOM 784 CG ASN A 51 -18.498 -17.465 -15.154 1.00 42.45 C ATOM 785 OD1 ASN A 51 -18.811 -16.488 -15.835 1.00 75.25 O ATOM 786 ND2 ASN A 51 -18.297 -18.669 -15.677 1.00 42.44 N ATOM 0 H ASN A 51 -15.579 -18.150 -13.955 1.00 14.44 H new ATOM 0 HA ASN A 51 -17.025 -15.651 -13.369 1.00 15.14 H new ATOM 0 HB2 ASN A 51 -18.415 -18.328 -13.197 1.00 72.23 H new ATOM 0 HB3 ASN A 51 -19.121 -16.724 -13.245 1.00 72.23 H new ATOM 0 HD21 ASN A 51 -18.401 -18.812 -16.682 1.00 42.44 H new ATOM 0 HD22 ASN A 51 -18.039 -19.450 -15.074 1.00 42.44 H new ATOM 793 N PRO A 52 -15.691 -16.323 -11.241 1.00 32.13 N ATOM 794 CA PRO A 52 -15.261 -16.526 -9.854 1.00 13.41 C ATOM 795 C PRO A 52 -16.337 -16.126 -8.849 1.00 61.54 C ATOM 796 O PRO A 52 -17.375 -15.577 -9.220 1.00 61.12 O ATOM 797 CB PRO A 52 -14.042 -15.610 -9.723 1.00 64.04 C ATOM 798 CG PRO A 52 -14.252 -14.551 -10.749 1.00 44.45 C ATOM 799 CD PRO A 52 -14.970 -15.216 -11.891 1.00 21.13 C ATOM 0 HA PRO A 52 -15.049 -17.574 -9.642 1.00 13.41 H new ATOM 0 HB2 PRO A 52 -13.973 -15.184 -8.722 1.00 64.04 H new ATOM 0 HB3 PRO A 52 -13.116 -16.156 -9.901 1.00 64.04 H new ATOM 0 HG2 PRO A 52 -14.841 -13.727 -10.345 1.00 44.45 H new ATOM 0 HG3 PRO A 52 -13.301 -14.132 -11.077 1.00 44.45 H new ATOM 0 HD2 PRO A 52 -15.654 -14.529 -12.390 1.00 21.13 H new ATOM 0 HD3 PRO A 52 -14.274 -15.579 -12.647 1.00 21.13 H new ATOM 807 N THR A 53 -16.083 -16.406 -7.575 1.00 3.43 N ATOM 808 CA THR A 53 -17.029 -16.076 -6.517 1.00 34.43 C ATOM 809 C THR A 53 -16.959 -14.597 -6.157 1.00 3.25 C ATOM 810 O THR A 53 -15.970 -13.914 -6.425 1.00 62.32 O ATOM 811 CB THR A 53 -16.770 -16.914 -5.250 1.00 75.24 C ATOM 812 OG1 THR A 53 -15.369 -17.177 -5.115 1.00 74.51 O ATOM 813 CG2 THR A 53 -17.535 -18.228 -5.305 1.00 15.01 C ATOM 0 H THR A 53 -15.230 -16.861 -7.251 1.00 3.43 H new ATOM 0 HA THR A 53 -18.023 -16.307 -6.900 1.00 34.43 H new ATOM 0 HB THR A 53 -17.117 -16.345 -4.387 1.00 75.24 H new ATOM 0 HG1 THR A 53 -15.212 -17.708 -4.307 1.00 74.51 H new ATOM 0 HG21 THR A 53 -17.337 -18.803 -4.400 1.00 15.01 H new ATOM 0 HG22 THR A 53 -18.603 -18.024 -5.379 1.00 15.01 H new ATOM 0 HG23 THR A 53 -17.214 -18.800 -6.176 1.00 15.01 H new ATOM 821 N PRO A 54 -18.031 -14.087 -5.533 1.00 12.10 N ATOM 822 CA PRO A 54 -18.114 -12.682 -5.121 1.00 71.43 C ATOM 823 C PRO A 54 -17.169 -12.359 -3.969 1.00 64.15 C ATOM 824 O PRO A 54 -16.431 -11.376 -4.018 1.00 44.24 O ATOM 825 CB PRO A 54 -19.571 -12.528 -4.677 1.00 23.42 C ATOM 826 CG PRO A 54 -19.992 -13.900 -4.278 1.00 21.55 C ATOM 827 CD PRO A 54 -19.245 -14.842 -5.181 1.00 73.32 C ATOM 0 HA PRO A 54 -17.825 -12.004 -5.924 1.00 71.43 H new ATOM 0 HB2 PRO A 54 -19.660 -11.829 -3.845 1.00 23.42 H new ATOM 0 HB3 PRO A 54 -20.193 -12.142 -5.485 1.00 23.42 H new ATOM 0 HG2 PRO A 54 -19.755 -14.092 -3.232 1.00 21.55 H new ATOM 0 HG3 PRO A 54 -21.069 -14.025 -4.389 1.00 21.55 H new ATOM 0 HD2 PRO A 54 -19.004 -15.777 -4.675 1.00 73.32 H new ATOM 0 HD3 PRO A 54 -19.829 -15.099 -6.065 1.00 73.32 H new ATOM 835 N GLU A 55 -17.196 -13.194 -2.935 1.00 14.51 N ATOM 836 CA GLU A 55 -16.341 -12.995 -1.771 1.00 11.32 C ATOM 837 C GLU A 55 -14.869 -13.126 -2.149 1.00 25.41 C ATOM 838 O GLU A 55 -14.001 -12.515 -1.527 1.00 1.33 O ATOM 839 CB GLU A 55 -16.690 -14.004 -0.675 1.00 70.44 C ATOM 840 CG GLU A 55 -17.970 -13.672 0.073 1.00 22.33 C ATOM 841 CD GLU A 55 -18.021 -14.304 1.451 1.00 63.43 C ATOM 842 OE1 GLU A 55 -16.973 -14.801 1.915 1.00 15.13 O ATOM 843 OE2 GLU A 55 -19.109 -14.302 2.064 1.00 43.10 O ATOM 0 H GLU A 55 -17.800 -14.014 -2.880 1.00 14.51 H new ATOM 0 HA GLU A 55 -16.513 -11.987 -1.394 1.00 11.32 H new ATOM 0 HB2 GLU A 55 -16.786 -14.994 -1.121 1.00 70.44 H new ATOM 0 HB3 GLU A 55 -15.866 -14.054 0.037 1.00 70.44 H new ATOM 0 HG2 GLU A 55 -18.060 -12.590 0.170 1.00 22.33 H new ATOM 0 HG3 GLU A 55 -18.826 -14.012 -0.510 1.00 22.33 H new ATOM 850 N GLU A 56 -14.596 -13.930 -3.173 1.00 1.45 N ATOM 851 CA GLU A 56 -13.229 -14.143 -3.632 1.00 44.33 C ATOM 852 C GLU A 56 -12.641 -12.856 -4.205 1.00 64.44 C ATOM 853 O GLU A 56 -11.523 -12.466 -3.865 1.00 40.24 O ATOM 854 CB GLU A 56 -13.189 -15.249 -4.688 1.00 63.42 C ATOM 855 CG GLU A 56 -11.834 -15.401 -5.360 1.00 32.33 C ATOM 856 CD GLU A 56 -11.783 -16.582 -6.309 1.00 70.44 C ATOM 857 OE1 GLU A 56 -11.747 -17.733 -5.825 1.00 43.31 O ATOM 858 OE2 GLU A 56 -11.780 -16.356 -7.538 1.00 3.54 O ATOM 0 H GLU A 56 -15.303 -14.443 -3.699 1.00 1.45 H new ATOM 0 HA GLU A 56 -12.628 -14.447 -2.775 1.00 44.33 H new ATOM 0 HB2 GLU A 56 -13.462 -16.195 -4.221 1.00 63.42 H new ATOM 0 HB3 GLU A 56 -13.941 -15.041 -5.449 1.00 63.42 H new ATOM 0 HG2 GLU A 56 -11.600 -14.489 -5.909 1.00 32.33 H new ATOM 0 HG3 GLU A 56 -11.065 -15.520 -4.596 1.00 32.33 H new ATOM 865 N LEU A 57 -13.401 -12.203 -5.077 1.00 44.30 N ATOM 866 CA LEU A 57 -12.956 -10.960 -5.699 1.00 21.21 C ATOM 867 C LEU A 57 -12.510 -9.952 -4.644 1.00 72.51 C ATOM 868 O LEU A 57 -11.386 -9.454 -4.685 1.00 41.23 O ATOM 869 CB LEU A 57 -14.078 -10.363 -6.550 1.00 1.43 C ATOM 870 CG LEU A 57 -14.068 -10.736 -8.032 1.00 62.34 C ATOM 871 CD1 LEU A 57 -14.939 -11.958 -8.281 1.00 24.01 C ATOM 872 CD2 LEU A 57 -14.536 -9.563 -8.881 1.00 73.42 C ATOM 0 H LEU A 57 -14.328 -12.513 -5.370 1.00 44.30 H new ATOM 0 HA LEU A 57 -12.104 -11.187 -6.340 1.00 21.21 H new ATOM 0 HB2 LEU A 57 -15.033 -10.672 -6.125 1.00 1.43 H new ATOM 0 HB3 LEU A 57 -14.030 -9.277 -6.469 1.00 1.43 H new ATOM 0 HG LEU A 57 -13.045 -10.980 -8.318 1.00 62.34 H new ATOM 0 HD11 LEU A 57 -14.920 -12.209 -9.342 1.00 24.01 H new ATOM 0 HD12 LEU A 57 -14.559 -12.800 -7.702 1.00 24.01 H new ATOM 0 HD13 LEU A 57 -15.964 -11.742 -7.978 1.00 24.01 H new ATOM 0 HD21 LEU A 57 -14.522 -9.847 -9.933 1.00 73.42 H new ATOM 0 HD22 LEU A 57 -15.550 -9.287 -8.593 1.00 73.42 H new ATOM 0 HD23 LEU A 57 -13.871 -8.713 -8.726 1.00 73.42 H new ATOM 884 N GLN A 58 -13.399 -9.660 -3.700 1.00 3.20 N ATOM 885 CA GLN A 58 -13.095 -8.713 -2.634 1.00 14.25 C ATOM 886 C GLN A 58 -11.949 -9.220 -1.765 1.00 11.12 C ATOM 887 O GLN A 58 -11.247 -8.435 -1.128 1.00 62.24 O ATOM 888 CB GLN A 58 -14.335 -8.469 -1.771 1.00 72.04 C ATOM 889 CG GLN A 58 -14.040 -7.728 -0.477 1.00 53.13 C ATOM 890 CD GLN A 58 -13.492 -6.335 -0.715 1.00 11.44 C ATOM 891 OE1 GLN A 58 -14.136 -5.502 -1.353 1.00 54.03 O ATOM 892 NE2 GLN A 58 -12.296 -6.073 -0.200 1.00 72.02 N ATOM 0 H GLN A 58 -14.334 -10.065 -3.652 1.00 3.20 H new ATOM 0 HA GLN A 58 -12.790 -7.773 -3.094 1.00 14.25 H new ATOM 0 HB2 GLN A 58 -15.063 -7.899 -2.348 1.00 72.04 H new ATOM 0 HB3 GLN A 58 -14.797 -9.428 -1.534 1.00 72.04 H new ATOM 0 HG2 GLN A 58 -14.953 -7.659 0.114 1.00 53.13 H new ATOM 0 HG3 GLN A 58 -13.323 -8.301 0.110 1.00 53.13 H new ATOM 0 HE21 GLN A 58 -11.797 -6.793 0.322 1.00 72.02 H new ATOM 0 HE22 GLN A 58 -11.877 -5.152 -0.327 1.00 72.02 H new ATOM 901 N GLU A 59 -11.767 -10.537 -1.744 1.00 2.44 N ATOM 902 CA GLU A 59 -10.706 -11.148 -0.951 1.00 41.53 C ATOM 903 C GLU A 59 -9.337 -10.633 -1.386 1.00 42.43 C ATOM 904 O GLU A 59 -8.552 -10.156 -0.567 1.00 15.34 O ATOM 905 CB GLU A 59 -10.755 -12.671 -1.081 1.00 62.34 C ATOM 906 CG GLU A 59 -10.075 -13.402 0.064 1.00 31.12 C ATOM 907 CD GLU A 59 -10.282 -14.903 0.004 1.00 74.05 C ATOM 908 OE1 GLU A 59 -11.453 -15.339 -0.018 1.00 65.24 O ATOM 909 OE2 GLU A 59 -9.276 -15.641 -0.022 1.00 24.12 O ATOM 0 H GLU A 59 -12.339 -11.200 -2.266 1.00 2.44 H new ATOM 0 HA GLU A 59 -10.863 -10.874 0.092 1.00 41.53 H new ATOM 0 HB2 GLU A 59 -11.796 -12.989 -1.137 1.00 62.34 H new ATOM 0 HB3 GLU A 59 -10.282 -12.963 -2.019 1.00 62.34 H new ATOM 0 HG2 GLU A 59 -9.007 -13.185 0.045 1.00 31.12 H new ATOM 0 HG3 GLU A 59 -10.460 -13.024 1.011 1.00 31.12 H new ATOM 916 N MET A 60 -9.057 -10.734 -2.682 1.00 14.44 N ATOM 917 CA MET A 60 -7.784 -10.278 -3.226 1.00 44.30 C ATOM 918 C MET A 60 -7.679 -8.757 -3.165 1.00 32.23 C ATOM 919 O MET A 60 -6.599 -8.209 -2.946 1.00 2.52 O ATOM 920 CB MET A 60 -7.623 -10.754 -4.671 1.00 5.20 C ATOM 921 CG MET A 60 -6.214 -11.216 -5.005 1.00 65.10 C ATOM 922 SD MET A 60 -5.281 -9.985 -5.935 1.00 42.03 S ATOM 923 CE MET A 60 -5.030 -10.849 -7.484 1.00 21.41 C ATOM 0 H MET A 60 -9.695 -11.128 -3.374 1.00 14.44 H new ATOM 0 HA MET A 60 -6.985 -10.704 -2.619 1.00 44.30 H new ATOM 0 HB2 MET A 60 -8.318 -11.573 -4.855 1.00 5.20 H new ATOM 0 HB3 MET A 60 -7.900 -9.943 -5.345 1.00 5.20 H new ATOM 0 HG2 MET A 60 -5.683 -11.447 -4.081 1.00 65.10 H new ATOM 0 HG3 MET A 60 -6.266 -12.139 -5.582 1.00 65.10 H new ATOM 0 HE1 MET A 60 -4.465 -10.215 -8.167 1.00 21.41 H new ATOM 0 HE2 MET A 60 -4.475 -11.769 -7.301 1.00 21.41 H new ATOM 0 HE3 MET A 60 -5.996 -11.089 -7.927 1.00 21.41 H new ATOM 933 N ILE A 61 -8.807 -8.083 -3.359 1.00 54.25 N ATOM 934 CA ILE A 61 -8.842 -6.626 -3.325 1.00 64.02 C ATOM 935 C ILE A 61 -8.528 -6.101 -1.928 1.00 71.41 C ATOM 936 O ILE A 61 -8.094 -4.961 -1.765 1.00 63.11 O ATOM 937 CB ILE A 61 -10.213 -6.085 -3.769 1.00 14.52 C ATOM 938 CG1 ILE A 61 -10.461 -6.409 -5.243 1.00 55.45 C ATOM 939 CG2 ILE A 61 -10.293 -4.584 -3.530 1.00 31.11 C ATOM 940 CD1 ILE A 61 -11.787 -5.895 -5.760 1.00 71.13 C ATOM 0 H ILE A 61 -9.709 -8.522 -3.541 1.00 54.25 H new ATOM 0 HA ILE A 61 -8.080 -6.276 -4.022 1.00 64.02 H new ATOM 0 HB ILE A 61 -10.988 -6.570 -3.175 1.00 14.52 H new ATOM 0 HG12 ILE A 61 -9.656 -5.981 -5.841 1.00 55.45 H new ATOM 0 HG13 ILE A 61 -10.421 -7.489 -5.381 1.00 55.45 H new ATOM 0 HG21 ILE A 61 -11.268 -4.216 -3.849 1.00 31.11 H new ATOM 0 HG22 ILE A 61 -10.156 -4.377 -2.469 1.00 31.11 H new ATOM 0 HG23 ILE A 61 -9.512 -4.082 -4.101 1.00 31.11 H new ATOM 0 HD11 ILE A 61 -11.895 -6.161 -6.812 1.00 71.13 H new ATOM 0 HD12 ILE A 61 -12.599 -6.343 -5.187 1.00 71.13 H new ATOM 0 HD13 ILE A 61 -11.823 -4.811 -5.654 1.00 71.13 H new ATOM 952 N ASP A 62 -8.750 -6.942 -0.923 1.00 44.34 N ATOM 953 CA ASP A 62 -8.488 -6.564 0.461 1.00 70.32 C ATOM 954 C ASP A 62 -6.994 -6.369 0.698 1.00 63.23 C ATOM 955 O ASP A 62 -6.569 -5.342 1.226 1.00 63.24 O ATOM 956 CB ASP A 62 -9.033 -7.629 1.414 1.00 55.11 C ATOM 957 CG ASP A 62 -9.218 -7.104 2.824 1.00 2.21 C ATOM 958 OD1 ASP A 62 -9.944 -6.102 2.994 1.00 0.13 O ATOM 959 OD2 ASP A 62 -8.637 -7.695 3.758 1.00 65.14 O ATOM 0 H ASP A 62 -9.110 -7.889 -1.041 1.00 44.34 H new ATOM 0 HA ASP A 62 -8.995 -5.619 0.656 1.00 70.32 H new ATOM 0 HB2 ASP A 62 -9.988 -7.995 1.037 1.00 55.11 H new ATOM 0 HB3 ASP A 62 -8.351 -8.479 1.432 1.00 55.11 H new ATOM 964 N GLU A 63 -6.203 -7.363 0.305 1.00 44.34 N ATOM 965 CA GLU A 63 -4.756 -7.300 0.476 1.00 20.05 C ATOM 966 C GLU A 63 -4.138 -6.285 -0.481 1.00 63.40 C ATOM 967 O GLU A 63 -3.046 -5.772 -0.239 1.00 4.44 O ATOM 968 CB GLU A 63 -4.133 -8.679 0.248 1.00 2.32 C ATOM 969 CG GLU A 63 -3.136 -9.082 1.322 1.00 50.51 C ATOM 970 CD GLU A 63 -1.904 -8.198 1.336 1.00 51.55 C ATOM 971 OE1 GLU A 63 -2.008 -7.043 1.800 1.00 55.33 O ATOM 972 OE2 GLU A 63 -0.836 -8.660 0.882 1.00 14.32 O ATOM 0 H GLU A 63 -6.539 -8.220 -0.133 1.00 44.34 H new ATOM 0 HA GLU A 63 -4.550 -6.981 1.498 1.00 20.05 H new ATOM 0 HB2 GLU A 63 -4.927 -9.424 0.203 1.00 2.32 H new ATOM 0 HB3 GLU A 63 -3.634 -8.687 -0.721 1.00 2.32 H new ATOM 0 HG2 GLU A 63 -3.621 -9.038 2.297 1.00 50.51 H new ATOM 0 HG3 GLU A 63 -2.834 -10.117 1.162 1.00 50.51 H new ATOM 979 N VAL A 64 -4.844 -6.002 -1.571 1.00 13.13 N ATOM 980 CA VAL A 64 -4.366 -5.049 -2.565 1.00 54.13 C ATOM 981 C VAL A 64 -4.648 -3.615 -2.132 1.00 53.30 C ATOM 982 O VAL A 64 -3.766 -2.757 -2.178 1.00 14.21 O ATOM 983 CB VAL A 64 -5.019 -5.296 -3.939 1.00 23.35 C ATOM 984 CG1 VAL A 64 -4.600 -4.222 -4.930 1.00 44.13 C ATOM 985 CG2 VAL A 64 -4.660 -6.681 -4.457 1.00 1.14 C ATOM 0 H VAL A 64 -5.749 -6.419 -1.788 1.00 13.13 H new ATOM 0 HA VAL A 64 -3.289 -5.195 -2.651 1.00 54.13 H new ATOM 0 HB VAL A 64 -6.102 -5.246 -3.822 1.00 23.35 H new ATOM 0 HG11 VAL A 64 -5.071 -4.413 -5.894 1.00 44.13 H new ATOM 0 HG12 VAL A 64 -4.912 -3.245 -4.561 1.00 44.13 H new ATOM 0 HG13 VAL A 64 -3.516 -4.237 -5.046 1.00 44.13 H new ATOM 0 HG21 VAL A 64 -5.129 -6.839 -5.428 1.00 1.14 H new ATOM 0 HG22 VAL A 64 -3.578 -6.762 -4.559 1.00 1.14 H new ATOM 0 HG23 VAL A 64 -5.015 -7.435 -3.755 1.00 1.14 H new ATOM 995 N ASP A 65 -5.883 -3.362 -1.711 1.00 45.51 N ATOM 996 CA ASP A 65 -6.281 -2.031 -1.267 1.00 51.24 C ATOM 997 C ASP A 65 -5.520 -1.627 -0.008 1.00 75.31 C ATOM 998 O ASP A 65 -5.894 -2.006 1.102 1.00 41.05 O ATOM 999 CB ASP A 65 -7.787 -1.987 -1.004 1.00 72.53 C ATOM 1000 CG ASP A 65 -8.360 -0.591 -1.148 1.00 72.32 C ATOM 1001 OD1 ASP A 65 -7.599 0.384 -0.973 1.00 34.34 O ATOM 1002 OD2 ASP A 65 -9.569 -0.473 -1.437 1.00 71.53 O ATOM 0 H ASP A 65 -6.625 -4.061 -1.668 1.00 45.51 H new ATOM 0 HA ASP A 65 -6.037 -1.323 -2.059 1.00 51.24 H new ATOM 0 HB2 ASP A 65 -8.294 -2.658 -1.698 1.00 72.53 H new ATOM 0 HB3 ASP A 65 -7.988 -2.357 0.001 1.00 72.53 H new ATOM 1007 N GLU A 66 -4.452 -0.858 -0.189 1.00 44.24 N ATOM 1008 CA GLU A 66 -3.638 -0.405 0.933 1.00 62.33 C ATOM 1009 C GLU A 66 -4.438 0.516 1.849 1.00 53.13 C ATOM 1010 O GLU A 66 -4.161 0.614 3.044 1.00 11.22 O ATOM 1011 CB GLU A 66 -2.389 0.320 0.426 1.00 14.03 C ATOM 1012 CG GLU A 66 -2.673 1.708 -0.124 1.00 23.14 C ATOM 1013 CD GLU A 66 -2.648 2.777 0.951 1.00 42.40 C ATOM 1014 OE1 GLU A 66 -1.872 2.627 1.919 1.00 54.45 O ATOM 1015 OE2 GLU A 66 -3.403 3.764 0.825 1.00 71.31 O ATOM 0 H GLU A 66 -4.130 -0.535 -1.101 1.00 44.24 H new ATOM 0 HA GLU A 66 -3.333 -1.282 1.505 1.00 62.33 H new ATOM 0 HB2 GLU A 66 -1.670 0.401 1.241 1.00 14.03 H new ATOM 0 HB3 GLU A 66 -1.921 -0.282 -0.353 1.00 14.03 H new ATOM 0 HG2 GLU A 66 -1.935 1.950 -0.889 1.00 23.14 H new ATOM 0 HG3 GLU A 66 -3.648 1.710 -0.610 1.00 23.14 H new ATOM 1022 N ASP A 67 -5.431 1.190 1.279 1.00 74.42 N ATOM 1023 CA ASP A 67 -6.273 2.103 2.043 1.00 51.02 C ATOM 1024 C ASP A 67 -7.567 1.419 2.472 1.00 32.23 C ATOM 1025 O ASP A 67 -8.345 1.971 3.249 1.00 53.22 O ATOM 1026 CB ASP A 67 -6.591 3.350 1.216 1.00 20.11 C ATOM 1027 CG ASP A 67 -6.956 3.017 -0.217 1.00 65.23 C ATOM 1028 OD1 ASP A 67 -6.051 2.626 -0.984 1.00 4.03 O ATOM 1029 OD2 ASP A 67 -8.146 3.148 -0.573 1.00 23.31 O ATOM 0 H ASP A 67 -5.672 1.121 0.290 1.00 74.42 H new ATOM 0 HA ASP A 67 -5.726 2.399 2.938 1.00 51.02 H new ATOM 0 HB2 ASP A 67 -7.415 3.891 1.681 1.00 20.11 H new ATOM 0 HB3 ASP A 67 -5.729 4.016 1.223 1.00 20.11 H new ATOM 1034 N GLY A 68 -7.791 0.212 1.960 1.00 12.40 N ATOM 1035 CA GLY A 68 -8.993 -0.527 2.301 1.00 4.10 C ATOM 1036 C GLY A 68 -10.257 0.264 2.030 1.00 2.41 C ATOM 1037 O GLY A 68 -11.207 0.215 2.811 1.00 53.23 O ATOM 0 H GLY A 68 -7.162 -0.267 1.316 1.00 12.40 H new ATOM 0 HA2 GLY A 68 -9.019 -1.455 1.730 1.00 4.10 H new ATOM 0 HA3 GLY A 68 -8.960 -0.802 3.355 1.00 4.10 H new ATOM 1041 N SER A 69 -10.268 0.998 0.921 1.00 30.54 N ATOM 1042 CA SER A 69 -11.423 1.807 0.552 1.00 11.53 C ATOM 1043 C SER A 69 -12.538 0.936 -0.017 1.00 33.21 C ATOM 1044 O SER A 69 -13.710 1.309 0.014 1.00 33.45 O ATOM 1045 CB SER A 69 -11.020 2.872 -0.470 1.00 53.00 C ATOM 1046 OG SER A 69 -10.377 2.287 -1.589 1.00 4.02 O ATOM 0 H SER A 69 -9.490 1.049 0.263 1.00 30.54 H new ATOM 0 HA SER A 69 -11.794 2.298 1.452 1.00 11.53 H new ATOM 0 HB2 SER A 69 -11.904 3.418 -0.799 1.00 53.00 H new ATOM 0 HB3 SER A 69 -10.354 3.597 -0.002 1.00 53.00 H new ATOM 0 HG SER A 69 -9.406 2.368 -1.487 1.00 4.02 H new ATOM 1052 N GLY A 70 -12.163 -0.229 -0.538 1.00 15.15 N ATOM 1053 CA GLY A 70 -13.142 -1.136 -1.107 1.00 34.42 C ATOM 1054 C GLY A 70 -13.155 -1.099 -2.622 1.00 71.31 C ATOM 1055 O GLY A 70 -14.101 -1.571 -3.255 1.00 45.20 O ATOM 0 H GLY A 70 -11.199 -0.560 -0.576 1.00 15.15 H new ATOM 0 HA2 GLY A 70 -12.929 -2.152 -0.773 1.00 34.42 H new ATOM 0 HA3 GLY A 70 -14.132 -0.878 -0.732 1.00 34.42 H new ATOM 1059 N THR A 71 -12.103 -0.536 -3.208 1.00 10.43 N ATOM 1060 CA THR A 71 -11.998 -0.436 -4.658 1.00 1.31 C ATOM 1061 C THR A 71 -10.540 -0.403 -5.103 1.00 32.45 C ATOM 1062 O THR A 71 -9.648 -0.086 -4.316 1.00 64.02 O ATOM 1063 CB THR A 71 -12.712 0.822 -5.188 1.00 33.14 C ATOM 1064 OG1 THR A 71 -12.838 1.791 -4.141 1.00 54.11 O ATOM 1065 CG2 THR A 71 -14.090 0.473 -5.731 1.00 44.34 C ATOM 0 H THR A 71 -11.311 -0.142 -2.700 1.00 10.43 H new ATOM 0 HA THR A 71 -12.482 -1.321 -5.071 1.00 1.31 H new ATOM 0 HB THR A 71 -12.114 1.239 -5.998 1.00 33.14 H new ATOM 0 HG1 THR A 71 -13.291 2.588 -4.486 1.00 54.11 H new ATOM 0 HG21 THR A 71 -14.575 1.377 -6.100 1.00 44.34 H new ATOM 0 HG22 THR A 71 -13.989 -0.243 -6.546 1.00 44.34 H new ATOM 0 HG23 THR A 71 -14.694 0.035 -4.936 1.00 44.34 H new ATOM 1073 N VAL A 72 -10.305 -0.733 -6.369 1.00 20.34 N ATOM 1074 CA VAL A 72 -8.955 -0.740 -6.919 1.00 23.44 C ATOM 1075 C VAL A 72 -8.701 0.499 -7.769 1.00 12.42 C ATOM 1076 O VAL A 72 -9.537 0.886 -8.586 1.00 11.03 O ATOM 1077 CB VAL A 72 -8.704 -1.996 -7.774 1.00 63.32 C ATOM 1078 CG1 VAL A 72 -7.535 -1.772 -8.722 1.00 31.22 C ATOM 1079 CG2 VAL A 72 -8.456 -3.205 -6.885 1.00 25.30 C ATOM 0 H VAL A 72 -11.032 -0.999 -7.033 1.00 20.34 H new ATOM 0 HA VAL A 72 -8.269 -0.743 -6.072 1.00 23.44 H new ATOM 0 HB VAL A 72 -9.594 -2.191 -8.372 1.00 63.32 H new ATOM 0 HG11 VAL A 72 -7.373 -2.670 -9.318 1.00 31.22 H new ATOM 0 HG12 VAL A 72 -7.757 -0.934 -9.382 1.00 31.22 H new ATOM 0 HG13 VAL A 72 -6.636 -1.551 -8.146 1.00 31.22 H new ATOM 0 HG21 VAL A 72 -8.281 -4.083 -7.506 1.00 25.30 H new ATOM 0 HG22 VAL A 72 -7.583 -3.023 -6.259 1.00 25.30 H new ATOM 0 HG23 VAL A 72 -9.327 -3.376 -6.252 1.00 25.30 H new ATOM 1089 N ASP A 73 -7.542 1.118 -7.571 1.00 55.44 N ATOM 1090 CA ASP A 73 -7.177 2.314 -8.321 1.00 51.54 C ATOM 1091 C ASP A 73 -6.271 1.963 -9.497 1.00 71.13 C ATOM 1092 O ASP A 73 -6.019 0.789 -9.771 1.00 53.33 O ATOM 1093 CB ASP A 73 -6.479 3.322 -7.407 1.00 3.20 C ATOM 1094 CG ASP A 73 -7.187 3.484 -6.076 1.00 65.21 C ATOM 1095 OD1 ASP A 73 -8.430 3.370 -6.048 1.00 44.11 O ATOM 1096 OD2 ASP A 73 -6.497 3.725 -5.063 1.00 34.34 O ATOM 0 H ASP A 73 -6.840 0.811 -6.898 1.00 55.44 H new ATOM 0 HA ASP A 73 -8.091 2.761 -8.711 1.00 51.54 H new ATOM 0 HB2 ASP A 73 -5.453 3.000 -7.232 1.00 3.20 H new ATOM 0 HB3 ASP A 73 -6.429 4.289 -7.908 1.00 3.20 H new ATOM 1101 N PHE A 74 -5.785 2.988 -10.190 1.00 21.50 N ATOM 1102 CA PHE A 74 -4.908 2.787 -11.338 1.00 75.01 C ATOM 1103 C PHE A 74 -3.638 2.047 -10.930 1.00 31.11 C ATOM 1104 O PHE A 74 -3.208 1.111 -11.604 1.00 40.14 O ATOM 1105 CB PHE A 74 -4.547 4.132 -11.972 1.00 33.10 C ATOM 1106 CG PHE A 74 -4.531 4.102 -13.474 1.00 24.34 C ATOM 1107 CD1 PHE A 74 -4.045 2.995 -14.152 1.00 10.40 C ATOM 1108 CD2 PHE A 74 -5.001 5.179 -14.207 1.00 2.23 C ATOM 1109 CE1 PHE A 74 -4.028 2.965 -15.534 1.00 2.54 C ATOM 1110 CE2 PHE A 74 -4.986 5.155 -15.589 1.00 35.23 C ATOM 1111 CZ PHE A 74 -4.500 4.046 -16.253 1.00 32.12 C ATOM 0 H PHE A 74 -5.984 3.966 -9.977 1.00 21.50 H new ATOM 0 HA PHE A 74 -5.442 2.180 -12.069 1.00 75.01 H new ATOM 0 HB2 PHE A 74 -5.262 4.885 -11.639 1.00 33.10 H new ATOM 0 HB3 PHE A 74 -3.566 4.443 -11.612 1.00 33.10 H new ATOM 0 HD1 PHE A 74 -3.676 2.147 -13.595 1.00 10.40 H new ATOM 0 HD2 PHE A 74 -5.384 6.048 -13.693 1.00 2.23 H new ATOM 0 HE1 PHE A 74 -3.646 2.097 -16.051 1.00 2.54 H new ATOM 0 HE2 PHE A 74 -5.354 6.002 -16.149 1.00 35.23 H new ATOM 0 HZ PHE A 74 -4.489 4.024 -17.333 1.00 32.12 H new ATOM 1121 N ASP A 75 -3.042 2.474 -9.822 1.00 34.42 N ATOM 1122 CA ASP A 75 -1.821 1.852 -9.322 1.00 54.12 C ATOM 1123 C ASP A 75 -2.094 0.432 -8.836 1.00 71.02 C ATOM 1124 O ASP A 75 -1.442 -0.518 -9.269 1.00 55.33 O ATOM 1125 CB ASP A 75 -1.226 2.687 -8.188 1.00 11.25 C ATOM 1126 CG ASP A 75 -0.562 3.955 -8.688 1.00 74.24 C ATOM 1127 OD1 ASP A 75 0.130 3.892 -9.726 1.00 51.42 O ATOM 1128 OD2 ASP A 75 -0.736 5.010 -8.043 1.00 62.41 O ATOM 0 H ASP A 75 -3.384 3.248 -9.253 1.00 34.42 H new ATOM 0 HA ASP A 75 -1.105 1.804 -10.142 1.00 54.12 H new ATOM 0 HB2 ASP A 75 -2.014 2.948 -7.481 1.00 11.25 H new ATOM 0 HB3 ASP A 75 -0.495 2.088 -7.645 1.00 11.25 H new ATOM 1133 N GLU A 76 -3.061 0.296 -7.934 1.00 4.14 N ATOM 1134 CA GLU A 76 -3.417 -1.008 -7.388 1.00 33.21 C ATOM 1135 C GLU A 76 -3.826 -1.970 -8.500 1.00 25.10 C ATOM 1136 O GLU A 76 -3.607 -3.178 -8.402 1.00 3.52 O ATOM 1137 CB GLU A 76 -4.556 -0.868 -6.376 1.00 35.20 C ATOM 1138 CG GLU A 76 -4.241 0.080 -5.232 1.00 1.05 C ATOM 1139 CD GLU A 76 -5.489 0.622 -4.562 1.00 22.55 C ATOM 1140 OE1 GLU A 76 -6.564 0.008 -4.724 1.00 70.12 O ATOM 1141 OE2 GLU A 76 -5.389 1.659 -3.874 1.00 14.50 O ATOM 0 H GLU A 76 -3.611 1.072 -7.566 1.00 4.14 H new ATOM 0 HA GLU A 76 -2.540 -1.414 -6.884 1.00 33.21 H new ATOM 0 HB2 GLU A 76 -5.449 -0.516 -6.893 1.00 35.20 H new ATOM 0 HB3 GLU A 76 -4.791 -1.851 -5.968 1.00 35.20 H new ATOM 0 HG2 GLU A 76 -3.632 -0.440 -4.492 1.00 1.05 H new ATOM 0 HG3 GLU A 76 -3.645 0.911 -5.608 1.00 1.05 H new ATOM 1148 N TRP A 77 -4.420 -1.426 -9.556 1.00 21.14 N ATOM 1149 CA TRP A 77 -4.860 -2.236 -10.686 1.00 43.44 C ATOM 1150 C TRP A 77 -3.666 -2.777 -11.465 1.00 21.51 C ATOM 1151 O TRP A 77 -3.631 -3.954 -11.827 1.00 24.32 O ATOM 1152 CB TRP A 77 -5.756 -1.411 -11.612 1.00 32.41 C ATOM 1153 CG TRP A 77 -6.251 -2.181 -12.799 1.00 15.21 C ATOM 1154 CD1 TRP A 77 -7.460 -2.805 -12.925 1.00 44.01 C ATOM 1155 CD2 TRP A 77 -5.550 -2.409 -14.026 1.00 2.31 C ATOM 1156 NE1 TRP A 77 -7.551 -3.407 -14.157 1.00 32.33 N ATOM 1157 CE2 TRP A 77 -6.393 -3.178 -14.851 1.00 70.23 C ATOM 1158 CE3 TRP A 77 -4.292 -2.036 -14.509 1.00 35.14 C ATOM 1159 CZ2 TRP A 77 -6.017 -3.581 -16.130 1.00 21.11 C ATOM 1160 CZ3 TRP A 77 -3.920 -2.437 -15.778 1.00 35.14 C ATOM 1161 CH2 TRP A 77 -4.780 -3.202 -16.577 1.00 32.32 C ATOM 0 H TRP A 77 -4.608 -0.428 -9.653 1.00 21.14 H new ATOM 0 HA TRP A 77 -5.429 -3.080 -10.297 1.00 43.44 H new ATOM 0 HB2 TRP A 77 -6.611 -1.042 -11.045 1.00 32.41 H new ATOM 0 HB3 TRP A 77 -5.203 -0.538 -11.959 1.00 32.41 H new ATOM 0 HD1 TRP A 77 -8.230 -2.823 -12.168 1.00 44.01 H new ATOM 0 HE1 TRP A 77 -8.352 -3.938 -14.499 1.00 32.33 H new ATOM 0 HE3 TRP A 77 -3.623 -1.445 -13.901 1.00 35.14 H new ATOM 0 HZ2 TRP A 77 -6.678 -4.172 -16.747 1.00 21.11 H new ATOM 0 HZ3 TRP A 77 -2.950 -2.156 -16.160 1.00 35.14 H new ATOM 0 HH2 TRP A 77 -4.461 -3.499 -17.565 1.00 32.32 H new ATOM 1172 N LEU A 78 -2.690 -1.913 -11.720 1.00 23.34 N ATOM 1173 CA LEU A 78 -1.493 -2.306 -12.456 1.00 20.14 C ATOM 1174 C LEU A 78 -0.569 -3.149 -11.583 1.00 30.33 C ATOM 1175 O LEU A 78 0.165 -4.003 -12.081 1.00 33.11 O ATOM 1176 CB LEU A 78 -0.749 -1.067 -12.957 1.00 72.11 C ATOM 1177 CG LEU A 78 -0.658 -0.908 -14.475 1.00 45.21 C ATOM 1178 CD1 LEU A 78 -0.667 0.564 -14.859 1.00 61.31 C ATOM 1179 CD2 LEU A 78 0.593 -1.592 -15.009 1.00 35.23 C ATOM 0 H LEU A 78 -2.704 -0.936 -11.428 1.00 23.34 H new ATOM 0 HA LEU A 78 -1.803 -2.907 -13.311 1.00 20.14 H new ATOM 0 HB2 LEU A 78 -1.239 -0.183 -12.548 1.00 72.11 H new ATOM 0 HB3 LEU A 78 0.263 -1.087 -12.552 1.00 72.11 H new ATOM 0 HG LEU A 78 -1.529 -1.385 -14.924 1.00 45.21 H new ATOM 0 HD11 LEU A 78 -0.602 0.658 -15.943 1.00 61.31 H new ATOM 0 HD12 LEU A 78 -1.591 1.025 -14.510 1.00 61.31 H new ATOM 0 HD13 LEU A 78 0.185 1.065 -14.399 1.00 61.31 H new ATOM 0 HD21 LEU A 78 0.641 -1.469 -16.091 1.00 35.23 H new ATOM 0 HD22 LEU A 78 1.476 -1.144 -14.553 1.00 35.23 H new ATOM 0 HD23 LEU A 78 0.559 -2.654 -14.766 1.00 35.23 H new ATOM 1191 N VAL A 79 -0.612 -2.905 -10.277 1.00 24.23 N ATOM 1192 CA VAL A 79 0.219 -3.644 -9.333 1.00 61.14 C ATOM 1193 C VAL A 79 -0.244 -5.091 -9.209 1.00 74.13 C ATOM 1194 O VAL A 79 0.544 -5.981 -8.891 1.00 11.21 O ATOM 1195 CB VAL A 79 0.203 -2.990 -7.939 1.00 52.11 C ATOM 1196 CG1 VAL A 79 -0.749 -3.731 -7.013 1.00 11.05 C ATOM 1197 CG2 VAL A 79 1.606 -2.949 -7.354 1.00 22.44 C ATOM 0 H VAL A 79 -1.213 -2.201 -9.848 1.00 24.23 H new ATOM 0 HA VAL A 79 1.236 -3.623 -9.724 1.00 61.14 H new ATOM 0 HB VAL A 79 -0.153 -1.965 -8.041 1.00 52.11 H new ATOM 0 HG11 VAL A 79 -0.747 -3.255 -6.033 1.00 11.05 H new ATOM 0 HG12 VAL A 79 -1.756 -3.703 -7.428 1.00 11.05 H new ATOM 0 HG13 VAL A 79 -0.427 -4.767 -6.913 1.00 11.05 H new ATOM 0 HG21 VAL A 79 1.576 -2.484 -6.369 1.00 22.44 H new ATOM 0 HG22 VAL A 79 1.993 -3.964 -7.264 1.00 22.44 H new ATOM 0 HG23 VAL A 79 2.257 -2.370 -8.009 1.00 22.44 H new ATOM 1207 N MET A 80 -1.529 -5.319 -9.463 1.00 62.15 N ATOM 1208 CA MET A 80 -2.097 -6.660 -9.382 1.00 54.40 C ATOM 1209 C MET A 80 -1.339 -7.627 -10.285 1.00 32.51 C ATOM 1210 O MET A 80 -0.791 -8.626 -9.818 1.00 54.24 O ATOM 1211 CB MET A 80 -3.577 -6.634 -9.771 1.00 2.32 C ATOM 1212 CG MET A 80 -4.508 -6.360 -8.601 1.00 1.31 C ATOM 1213 SD MET A 80 -6.243 -6.616 -9.019 1.00 61.41 S ATOM 1214 CE MET A 80 -6.322 -5.837 -10.630 1.00 2.12 C ATOM 0 H MET A 80 -2.196 -4.593 -9.726 1.00 62.15 H new ATOM 0 HA MET A 80 -2.005 -7.005 -8.352 1.00 54.40 H new ATOM 0 HB2 MET A 80 -3.730 -5.870 -10.533 1.00 2.32 H new ATOM 0 HB3 MET A 80 -3.843 -7.591 -10.220 1.00 2.32 H new ATOM 0 HG2 MET A 80 -4.239 -7.010 -7.768 1.00 1.31 H new ATOM 0 HG3 MET A 80 -4.367 -5.333 -8.263 1.00 1.31 H new ATOM 0 HE1 MET A 80 -7.311 -5.403 -10.776 1.00 2.12 H new ATOM 0 HE2 MET A 80 -5.569 -5.052 -10.692 1.00 2.12 H new ATOM 0 HE3 MET A 80 -6.134 -6.581 -11.404 1.00 2.12 H new ATOM 1224 N MET A 81 -1.312 -7.325 -11.579 1.00 33.12 N ATOM 1225 CA MET A 81 -0.620 -8.169 -12.546 1.00 52.21 C ATOM 1226 C MET A 81 0.889 -8.114 -12.334 1.00 3.33 C ATOM 1227 O MET A 81 1.598 -9.085 -12.595 1.00 61.14 O ATOM 1228 CB MET A 81 -0.963 -7.733 -13.972 1.00 65.11 C ATOM 1229 CG MET A 81 -0.862 -6.232 -14.189 1.00 55.13 C ATOM 1230 SD MET A 81 -2.477 -5.433 -14.275 1.00 62.43 S ATOM 1231 CE MET A 81 -3.306 -6.475 -15.473 1.00 35.10 C ATOM 0 H MET A 81 -1.761 -6.503 -11.982 1.00 33.12 H new ATOM 0 HA MET A 81 -0.952 -9.197 -12.398 1.00 52.21 H new ATOM 0 HB2 MET A 81 -0.294 -8.238 -14.669 1.00 65.11 H new ATOM 0 HB3 MET A 81 -1.976 -8.059 -14.209 1.00 65.11 H new ATOM 0 HG2 MET A 81 -0.285 -5.789 -13.377 1.00 55.13 H new ATOM 0 HG3 MET A 81 -0.315 -6.038 -15.112 1.00 55.13 H new ATOM 0 HE1 MET A 81 -3.959 -5.864 -16.096 1.00 35.10 H new ATOM 0 HE2 MET A 81 -2.564 -6.970 -16.100 1.00 35.10 H new ATOM 0 HE3 MET A 81 -3.900 -7.226 -14.953 1.00 35.10 H new ATOM 1241 N ALA A 82 1.374 -6.971 -11.858 1.00 62.41 N ATOM 1242 CA ALA A 82 2.799 -6.791 -11.609 1.00 60.11 C ATOM 1243 C ALA A 82 3.342 -7.893 -10.706 1.00 63.42 C ATOM 1244 O ALA A 82 4.530 -8.213 -10.747 1.00 65.13 O ATOM 1245 CB ALA A 82 3.058 -5.425 -10.992 1.00 1.14 C ATOM 0 H ALA A 82 0.801 -6.157 -11.637 1.00 62.41 H new ATOM 0 HA ALA A 82 3.320 -6.851 -12.564 1.00 60.11 H new ATOM 0 HB1 ALA A 82 4.126 -5.304 -10.811 1.00 1.14 H new ATOM 0 HB2 ALA A 82 2.715 -4.647 -11.674 1.00 1.14 H new ATOM 0 HB3 ALA A 82 2.519 -5.344 -10.048 1.00 1.14 H new ATOM 1251 N ARG A 83 2.465 -8.470 -9.891 1.00 63.43 N ATOM 1252 CA ARG A 83 2.858 -9.536 -8.977 1.00 1.21 C ATOM 1253 C ARG A 83 3.352 -10.758 -9.746 1.00 11.30 C ATOM 1254 O ARG A 83 4.132 -11.557 -9.227 1.00 11.15 O ATOM 1255 CB ARG A 83 1.682 -9.926 -8.079 1.00 44.22 C ATOM 1256 CG ARG A 83 2.092 -10.280 -6.659 1.00 72.31 C ATOM 1257 CD ARG A 83 1.196 -9.601 -5.635 1.00 73.41 C ATOM 1258 NE ARG A 83 1.319 -10.208 -4.312 1.00 43.42 N ATOM 1259 CZ ARG A 83 0.465 -9.986 -3.319 1.00 43.53 C ATOM 1260 NH1 ARG A 83 -0.569 -9.176 -3.499 1.00 12.01 N ATOM 1261 NH2 ARG A 83 0.645 -10.574 -2.144 1.00 30.32 N ATOM 0 H ARG A 83 1.478 -8.217 -9.845 1.00 63.43 H new ATOM 0 HA ARG A 83 3.674 -9.165 -8.356 1.00 1.21 H new ATOM 0 HB2 ARG A 83 0.970 -9.101 -8.048 1.00 44.22 H new ATOM 0 HB3 ARG A 83 1.164 -10.777 -8.522 1.00 44.22 H new ATOM 0 HG2 ARG A 83 2.046 -11.361 -6.525 1.00 72.31 H new ATOM 0 HG3 ARG A 83 3.127 -9.982 -6.493 1.00 72.31 H new ATOM 0 HD2 ARG A 83 1.452 -8.543 -5.574 1.00 73.41 H new ATOM 0 HD3 ARG A 83 0.159 -9.659 -5.966 1.00 73.41 H new ATOM 0 HE ARG A 83 2.104 -10.837 -4.141 1.00 43.42 H new ATOM 0 HH11 ARG A 83 -0.710 -8.722 -4.401 1.00 12.01 H new ATOM 0 HH12 ARG A 83 -1.223 -9.007 -2.735 1.00 12.01 H new ATOM 0 HH21 ARG A 83 1.440 -11.197 -2.002 1.00 30.32 H new ATOM 0 HH22 ARG A 83 -0.011 -10.403 -1.382 1.00 30.32 H new ATOM 1275 N CYS A 84 2.892 -10.896 -10.985 1.00 4.04 N ATOM 1276 CA CYS A 84 3.286 -12.021 -11.825 1.00 62.21 C ATOM 1277 C CYS A 84 4.746 -11.897 -12.251 1.00 35.10 C ATOM 1278 O CYS A 84 5.353 -12.864 -12.709 1.00 71.41 O ATOM 1279 CB CYS A 84 2.387 -12.102 -13.060 1.00 1.34 C ATOM 1280 SG CYS A 84 2.630 -13.593 -14.053 1.00 54.34 S ATOM 0 H CYS A 84 2.246 -10.243 -11.429 1.00 4.04 H new ATOM 0 HA CYS A 84 3.173 -12.935 -11.242 1.00 62.21 H new ATOM 0 HB2 CYS A 84 1.346 -12.056 -12.742 1.00 1.34 H new ATOM 0 HB3 CYS A 84 2.568 -11.228 -13.686 1.00 1.34 H new ATOM 0 HG CYS A 84 3.862 -13.992 -13.942 1.00 54.34 H new ATOM 1286 N MET A 85 5.301 -10.700 -12.098 1.00 4.30 N ATOM 1287 CA MET A 85 6.690 -10.449 -12.468 1.00 33.25 C ATOM 1288 C MET A 85 7.643 -11.072 -11.453 1.00 2.34 C ATOM 1289 O MET A 85 8.617 -11.729 -11.822 1.00 33.04 O ATOM 1290 CB MET A 85 6.949 -8.945 -12.572 1.00 75.02 C ATOM 1291 CG MET A 85 6.232 -8.285 -13.739 1.00 12.21 C ATOM 1292 SD MET A 85 7.167 -8.388 -15.277 1.00 4.22 S ATOM 1293 CE MET A 85 5.919 -9.028 -16.390 1.00 50.03 C ATOM 0 H MET A 85 4.811 -9.889 -11.721 1.00 4.30 H new ATOM 0 HA MET A 85 6.870 -10.909 -13.440 1.00 33.25 H new ATOM 0 HB2 MET A 85 6.635 -8.465 -11.645 1.00 75.02 H new ATOM 0 HB3 MET A 85 8.021 -8.775 -12.672 1.00 75.02 H new ATOM 0 HG2 MET A 85 5.260 -8.758 -13.877 1.00 12.21 H new ATOM 0 HG3 MET A 85 6.046 -7.238 -13.501 1.00 12.21 H new ATOM 0 HE1 MET A 85 6.346 -9.147 -17.386 1.00 50.03 H new ATOM 0 HE2 MET A 85 5.569 -9.995 -16.027 1.00 50.03 H new ATOM 0 HE3 MET A 85 5.081 -8.333 -16.435 1.00 50.03 H new