USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 799 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 82 MET CE :methyl -165:sc= -7.13! (180deg=-4.74!) USER MOD Set 1.2: A 84 THR OG1 : rot -149:sc= -2.77! USER MOD Set 2.1: A 76 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0863) USER MOD Set 2.2: A 77 TYR OH : rot 180:sc= -0.238 USER MOD Set 3.1: A 20 GLN : amide:sc= -7.5! C(o=-6.8!,f=-16!) USER MOD Set 3.2: A 23 LYS NZ :NH3+ 174:sc= 0.717 (180deg=0) USER MOD Single : A 11 CYS SG : rot -110:sc= -3.53! USER MOD Single : A 12 HIS : +bothHN:sc= -8.23! C(o=-8.2!,f=-14!) USER MOD Single : A 13 ASN :FLIP amide:sc= -4.1! C(o=-10!,f=-4.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -164:sc= -4.9! (180deg=-6.16!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -132:sc= -0.179 (180deg=-1.83) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= -0.266 (180deg=-0.266) USER MOD Single : A 71 LYS NZ :NH3+ -109:sc= 0.397 (180deg=-0.169) USER MOD Single : A 78 ASN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -13.5! C(o=-13!,f=-15!) USER MOD Single : A 107 ASN : amide:sc= -0.987 K(o=-0.99,f=-2.2!) USER MOD Single : A 108 THR OG1 : rot -110:sc= -1.81 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS :FLIP no HE2:sc= -10.1! C(o=-12!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 53 N GLU A 5 2.555 7.423 -6.065 1.00 24.32 N ATOM 54 CA GLU A 5 1.570 7.340 -7.137 1.00 5.31 C ATOM 55 C GLU A 5 1.346 8.708 -7.776 1.00 22.20 C ATOM 56 O GLU A 5 2.264 9.522 -7.864 1.00 2.23 O ATOM 57 CB GLU A 5 0.246 6.792 -6.602 1.00 20.12 C ATOM 58 CG GLU A 5 0.415 5.771 -5.489 1.00 61.13 C ATOM 59 CD GLU A 5 0.905 4.429 -5.998 1.00 44.33 C ATOM 60 OE1 GLU A 5 1.995 4.387 -6.606 1.00 60.15 O ATOM 61 OE2 GLU A 5 0.199 3.421 -5.788 1.00 15.33 O ATOM 0 HA GLU A 5 1.955 6.661 -7.898 1.00 5.31 H new ATOM 0 HB2 GLU A 5 -0.359 7.621 -6.234 1.00 20.12 H new ATOM 0 HB3 GLU A 5 -0.306 6.334 -7.423 1.00 20.12 H new ATOM 0 HG2 GLU A 5 1.120 6.156 -4.752 1.00 61.13 H new ATOM 0 HG3 GLU A 5 -0.538 5.635 -4.978 1.00 61.13 H new ATOM 68 N GLY A 6 0.118 8.952 -8.222 1.00 15.13 N ATOM 69 CA GLY A 6 -0.206 10.221 -8.848 1.00 20.23 C ATOM 70 C GLY A 6 -0.509 11.307 -7.834 1.00 71.44 C ATOM 71 O GLY A 6 -1.162 12.300 -8.155 1.00 2.14 O ATOM 0 H GLY A 6 -0.659 8.294 -8.161 1.00 15.13 H new ATOM 0 HA2 GLY A 6 0.628 10.536 -9.476 1.00 20.23 H new ATOM 0 HA3 GLY A 6 -1.067 10.090 -9.504 1.00 20.23 H new ATOM 75 N VAL A 7 -0.036 11.117 -6.607 1.00 3.23 N ATOM 76 CA VAL A 7 -0.260 12.088 -5.543 1.00 13.24 C ATOM 77 C VAL A 7 1.001 12.896 -5.261 1.00 5.14 C ATOM 78 O VAL A 7 2.035 12.696 -5.899 1.00 2.34 O ATOM 79 CB VAL A 7 -0.718 11.400 -4.242 1.00 45.45 C ATOM 80 CG1 VAL A 7 -1.669 10.254 -4.551 1.00 11.54 C ATOM 81 CG2 VAL A 7 0.484 10.908 -3.450 1.00 12.23 C ATOM 0 H VAL A 7 0.505 10.299 -6.325 1.00 3.23 H new ATOM 0 HA VAL A 7 -1.047 12.758 -5.888 1.00 13.24 H new ATOM 0 HB VAL A 7 -1.252 12.129 -3.633 1.00 45.45 H new ATOM 0 HG11 VAL A 7 -1.982 9.780 -3.621 1.00 11.54 H new ATOM 0 HG12 VAL A 7 -2.544 10.639 -5.075 1.00 11.54 H new ATOM 0 HG13 VAL A 7 -1.163 9.521 -5.179 1.00 11.54 H new ATOM 0 HG21 VAL A 7 0.143 10.425 -2.534 1.00 12.23 H new ATOM 0 HG22 VAL A 7 1.047 10.193 -4.050 1.00 12.23 H new ATOM 0 HG23 VAL A 7 1.124 11.753 -3.198 1.00 12.23 H new ATOM 91 N VAL A 8 0.910 13.810 -4.299 1.00 61.15 N ATOM 92 CA VAL A 8 2.045 14.648 -3.931 1.00 31.21 C ATOM 93 C VAL A 8 3.279 13.803 -3.636 1.00 21.11 C ATOM 94 O VAL A 8 3.456 13.313 -2.520 1.00 72.32 O ATOM 95 CB VAL A 8 1.725 15.517 -2.700 1.00 33.51 C ATOM 96 CG1 VAL A 8 0.517 16.400 -2.970 1.00 14.44 C ATOM 97 CG2 VAL A 8 1.494 14.642 -1.477 1.00 15.01 C ATOM 0 H VAL A 8 0.062 13.988 -3.761 1.00 61.15 H new ATOM 0 HA VAL A 8 2.248 15.298 -4.782 1.00 31.21 H new ATOM 0 HB VAL A 8 2.580 16.163 -2.500 1.00 33.51 H new ATOM 0 HG11 VAL A 8 0.306 17.007 -2.089 1.00 14.44 H new ATOM 0 HG12 VAL A 8 0.725 17.052 -3.818 1.00 14.44 H new ATOM 0 HG13 VAL A 8 -0.347 15.775 -3.196 1.00 14.44 H new ATOM 0 HG21 VAL A 8 1.269 15.272 -0.616 1.00 15.01 H new ATOM 0 HG22 VAL A 8 0.656 13.970 -1.663 1.00 15.01 H new ATOM 0 HG23 VAL A 8 2.391 14.057 -1.274 1.00 15.01 H new ATOM 107 N ILE A 9 4.130 13.637 -4.643 1.00 1.03 N ATOM 108 CA ILE A 9 5.349 12.852 -4.490 1.00 41.55 C ATOM 109 C ILE A 9 6.029 13.145 -3.157 1.00 55.41 C ATOM 110 O ILE A 9 5.704 14.124 -2.485 1.00 41.24 O ATOM 111 CB ILE A 9 6.344 13.131 -5.633 1.00 30.42 C ATOM 112 CG1 ILE A 9 5.670 12.915 -6.989 1.00 71.43 C ATOM 113 CG2 ILE A 9 7.570 12.240 -5.496 1.00 74.34 C ATOM 114 CD1 ILE A 9 5.068 11.536 -7.152 1.00 41.43 C ATOM 0 H ILE A 9 3.998 14.035 -5.573 1.00 1.03 H new ATOM 0 HA ILE A 9 5.055 11.803 -4.522 1.00 41.55 H new ATOM 0 HB ILE A 9 6.665 14.171 -5.570 1.00 30.42 H new ATOM 0 HG12 ILE A 9 4.887 13.662 -7.120 1.00 71.43 H new ATOM 0 HG13 ILE A 9 6.402 13.079 -7.780 1.00 71.43 H new ATOM 0 HG21 ILE A 9 8.264 12.448 -6.310 1.00 74.34 H new ATOM 0 HG22 ILE A 9 8.059 12.439 -4.542 1.00 74.34 H new ATOM 0 HG23 ILE A 9 7.266 11.194 -5.537 1.00 74.34 H new ATOM 0 HD11 ILE A 9 4.607 11.454 -8.137 1.00 41.43 H new ATOM 0 HD12 ILE A 9 5.850 10.783 -7.054 1.00 41.43 H new ATOM 0 HD13 ILE A 9 4.312 11.376 -6.383 1.00 41.43 H new ATOM 126 N ALA A 10 6.974 12.291 -2.781 1.00 4.01 N ATOM 127 CA ALA A 10 7.703 12.460 -1.530 1.00 11.23 C ATOM 128 C ALA A 10 9.196 12.221 -1.727 1.00 71.41 C ATOM 129 O ALA A 10 9.725 11.182 -1.330 1.00 23.11 O ATOM 130 CB ALA A 10 7.152 11.521 -0.467 1.00 14.20 C ATOM 0 H ALA A 10 7.253 11.474 -3.325 1.00 4.01 H new ATOM 0 HA ALA A 10 7.568 13.489 -1.196 1.00 11.23 H new ATOM 0 HB1 ALA A 10 7.706 11.658 0.462 1.00 14.20 H new ATOM 0 HB2 ALA A 10 6.098 11.742 -0.297 1.00 14.20 H new ATOM 0 HB3 ALA A 10 7.257 10.489 -0.803 1.00 14.20 H new ATOM 136 N CYS A 11 9.869 13.186 -2.343 1.00 12.33 N ATOM 137 CA CYS A 11 11.302 13.079 -2.594 1.00 54.41 C ATOM 138 C CYS A 11 12.070 12.892 -1.290 1.00 10.31 C ATOM 139 O CYS A 11 11.555 13.174 -0.208 1.00 12.35 O ATOM 140 CB CYS A 11 11.807 14.325 -3.324 1.00 31.13 C ATOM 141 SG CYS A 11 13.561 14.675 -3.058 1.00 53.33 S ATOM 0 H CYS A 11 9.446 14.051 -2.678 1.00 12.33 H new ATOM 0 HA CYS A 11 11.472 12.205 -3.222 1.00 54.41 H new ATOM 0 HB2 CYS A 11 11.629 14.204 -4.393 1.00 31.13 H new ATOM 0 HB3 CYS A 11 11.222 15.186 -2.999 1.00 31.13 H new ATOM 0 HG CYS A 11 13.684 15.743 -2.327 1.00 53.33 H new ATOM 147 N HIS A 12 13.305 12.413 -1.400 1.00 41.32 N ATOM 148 CA HIS A 12 14.145 12.187 -0.229 1.00 53.21 C ATOM 149 C HIS A 12 15.595 11.947 -0.639 1.00 12.55 C ATOM 150 O HIS A 12 16.309 11.172 -0.004 1.00 74.12 O ATOM 151 CB HIS A 12 13.626 10.994 0.574 1.00 14.42 C ATOM 152 CG HIS A 12 13.255 11.338 1.984 1.00 32.42 C ATOM 153 ND1 HIS A 12 13.988 10.926 3.077 1.00 65.13 N ATOM 154 CD2 HIS A 12 12.221 12.060 2.477 1.00 25.51 C ATOM 155 CE1 HIS A 12 13.421 11.378 4.181 1.00 45.32 C ATOM 156 NE2 HIS A 12 12.348 12.070 3.845 1.00 74.25 N ATOM 0 H HIS A 12 13.746 12.174 -2.288 1.00 41.32 H new ATOM 0 HA HIS A 12 14.105 13.080 0.394 1.00 53.21 H new ATOM 0 HB2 HIS A 12 12.754 10.578 0.069 1.00 14.42 H new ATOM 0 HB3 HIS A 12 14.389 10.216 0.587 1.00 14.42 H new ATOM 0 HD1 HIS A 12 14.836 10.360 3.039 1.00 65.13 H new ATOM 0 HD2 HIS A 12 11.442 12.539 1.902 1.00 25.51 H new ATOM 0 HE1 HIS A 12 13.775 11.210 5.187 1.00 45.32 H new ATOM 0 HE2 HIS A 12 11.716 12.536 4.496 1.00 74.25 H new ATOM 164 N ASN A 13 16.023 12.618 -1.703 1.00 53.22 N ATOM 165 CA ASN A 13 17.387 12.477 -2.198 1.00 23.11 C ATOM 166 C ASN A 13 17.607 13.334 -3.441 1.00 10.24 C ATOM 167 O ASN A 13 18.446 13.020 -4.285 1.00 41.21 O ATOM 168 CB ASN A 13 17.687 11.011 -2.517 1.00 21.34 C ATOM 169 CG ASN A 13 17.489 10.686 -3.985 1.00 1.03 C ATOM 170 OD1 ASN A 13 16.490 11.309 -4.599 1.00 23.04 O flip ATOM 171 ND2 ASN A 13 18.226 9.885 -4.560 1.00 33.34 N flip ATOM 0 H ASN A 13 15.445 13.265 -2.239 1.00 53.22 H new ATOM 0 HA ASN A 13 18.067 12.819 -1.418 1.00 23.11 H new ATOM 0 HB2 ASN A 13 18.714 10.783 -2.233 1.00 21.34 H new ATOM 0 HB3 ASN A 13 17.041 10.372 -1.916 1.00 21.34 H new ATOM 0 HD21 ASN A 13 18.982 9.429 -4.048 1.00 33.34 H new ATOM 0 HD22 ASN A 13 18.081 9.677 -5.548 1.00 33.34 H new ATOM 178 N LYS A 14 16.847 14.419 -3.546 1.00 4.32 N ATOM 179 CA LYS A 14 16.959 15.325 -4.683 1.00 72.54 C ATOM 180 C LYS A 14 16.535 14.631 -5.974 1.00 53.11 C ATOM 181 O LYS A 14 15.497 14.955 -6.552 1.00 0.31 O ATOM 182 CB LYS A 14 18.395 15.837 -4.815 1.00 70.43 C ATOM 183 CG LYS A 14 18.792 16.175 -6.242 1.00 34.31 C ATOM 184 CD LYS A 14 19.774 17.333 -6.288 1.00 13.20 C ATOM 185 CE LYS A 14 19.209 18.570 -5.607 1.00 54.42 C ATOM 186 NZ LYS A 14 19.669 19.825 -6.265 1.00 73.42 N ATOM 0 H LYS A 14 16.146 14.692 -2.857 1.00 4.32 H new ATOM 0 HA LYS A 14 16.293 16.171 -4.509 1.00 72.54 H new ATOM 0 HB2 LYS A 14 18.514 16.725 -4.194 1.00 70.43 H new ATOM 0 HB3 LYS A 14 19.078 15.082 -4.426 1.00 70.43 H new ATOM 0 HG2 LYS A 14 19.238 15.299 -6.714 1.00 34.31 H new ATOM 0 HG3 LYS A 14 17.902 16.428 -6.818 1.00 34.31 H new ATOM 0 HD2 LYS A 14 20.705 17.042 -5.801 1.00 13.20 H new ATOM 0 HD3 LYS A 14 20.016 17.566 -7.325 1.00 13.20 H new ATOM 0 HE2 LYS A 14 18.120 18.529 -5.625 1.00 54.42 H new ATOM 0 HE3 LYS A 14 19.511 18.578 -4.560 1.00 54.42 H new ATOM 0 HZ1 LYS A 14 19.262 20.645 -5.771 1.00 73.42 H new ATOM 0 HZ2 LYS A 14 20.707 19.877 -6.226 1.00 73.42 H new ATOM 0 HZ3 LYS A 14 19.359 19.830 -7.258 1.00 73.42 H new ATOM 200 N ASP A 15 17.342 13.675 -6.420 1.00 4.33 N ATOM 201 CA ASP A 15 17.049 12.934 -7.641 1.00 2.11 C ATOM 202 C ASP A 15 15.544 12.804 -7.850 1.00 14.45 C ATOM 203 O ASP A 15 15.054 12.893 -8.975 1.00 11.41 O ATOM 204 CB ASP A 15 17.691 11.547 -7.587 1.00 74.33 C ATOM 205 CG ASP A 15 18.676 11.320 -8.717 1.00 55.13 C ATOM 206 OD1 ASP A 15 19.367 12.285 -9.104 1.00 11.44 O ATOM 207 OD2 ASP A 15 18.754 10.178 -9.216 1.00 63.31 O ATOM 0 H ASP A 15 18.205 13.395 -5.954 1.00 4.33 H new ATOM 0 HA ASP A 15 17.467 13.487 -8.482 1.00 2.11 H new ATOM 0 HB2 ASP A 15 18.203 11.424 -6.633 1.00 74.33 H new ATOM 0 HB3 ASP A 15 16.911 10.787 -7.631 1.00 74.33 H new ATOM 212 N GLU A 16 14.816 12.593 -6.757 1.00 71.43 N ATOM 213 CA GLU A 16 13.366 12.449 -6.822 1.00 63.41 C ATOM 214 C GLU A 16 12.687 13.813 -6.910 1.00 25.54 C ATOM 215 O GLU A 16 11.747 14.002 -7.681 1.00 41.13 O ATOM 216 CB GLU A 16 12.852 11.688 -5.598 1.00 12.30 C ATOM 217 CG GLU A 16 13.818 10.633 -5.086 1.00 43.42 C ATOM 218 CD GLU A 16 13.131 9.323 -4.758 1.00 34.54 C ATOM 219 OE1 GLU A 16 13.001 8.477 -5.668 1.00 14.04 O ATOM 220 OE2 GLU A 16 12.722 9.142 -3.591 1.00 43.14 O ATOM 0 H GLU A 16 15.206 12.518 -5.818 1.00 71.43 H new ATOM 0 HA GLU A 16 13.122 11.883 -7.721 1.00 63.41 H new ATOM 0 HB2 GLU A 16 12.647 12.400 -4.798 1.00 12.30 H new ATOM 0 HB3 GLU A 16 11.905 11.210 -5.849 1.00 12.30 H new ATOM 0 HG2 GLU A 16 14.589 10.457 -5.836 1.00 43.42 H new ATOM 0 HG3 GLU A 16 14.321 11.008 -4.195 1.00 43.42 H new ATOM 227 N PHE A 17 13.171 14.760 -6.112 1.00 72.44 N ATOM 228 CA PHE A 17 12.611 16.106 -6.098 1.00 34.12 C ATOM 229 C PHE A 17 12.554 16.687 -7.508 1.00 24.14 C ATOM 230 O PHE A 17 11.527 17.215 -7.932 1.00 74.15 O ATOM 231 CB PHE A 17 13.441 17.017 -5.191 1.00 70.12 C ATOM 232 CG PHE A 17 14.001 18.218 -5.899 1.00 31.51 C ATOM 233 CD1 PHE A 17 15.207 18.139 -6.577 1.00 33.41 C ATOM 234 CD2 PHE A 17 13.321 19.425 -5.887 1.00 23.13 C ATOM 235 CE1 PHE A 17 15.724 19.242 -7.228 1.00 45.22 C ATOM 236 CE2 PHE A 17 13.834 20.532 -6.537 1.00 30.24 C ATOM 237 CZ PHE A 17 15.037 20.440 -7.209 1.00 73.11 C ATOM 0 H PHE A 17 13.949 14.620 -5.467 1.00 72.44 H new ATOM 0 HA PHE A 17 11.595 16.046 -5.708 1.00 34.12 H new ATOM 0 HB2 PHE A 17 12.821 17.352 -4.360 1.00 70.12 H new ATOM 0 HB3 PHE A 17 14.262 16.441 -4.764 1.00 70.12 H new ATOM 0 HD1 PHE A 17 15.749 17.205 -6.597 1.00 33.41 H new ATOM 0 HD2 PHE A 17 12.379 19.502 -5.364 1.00 23.13 H new ATOM 0 HE1 PHE A 17 16.665 19.168 -7.752 1.00 45.22 H new ATOM 0 HE2 PHE A 17 13.295 21.468 -6.519 1.00 30.24 H new ATOM 0 HZ PHE A 17 15.440 21.303 -7.719 1.00 73.11 H new ATOM 247 N ASP A 18 13.667 16.586 -8.227 1.00 55.01 N ATOM 248 CA ASP A 18 13.745 17.101 -9.589 1.00 61.44 C ATOM 249 C ASP A 18 12.789 16.349 -10.510 1.00 64.43 C ATOM 250 O ASP A 18 12.092 16.953 -11.325 1.00 24.02 O ATOM 251 CB ASP A 18 15.176 16.989 -10.118 1.00 21.23 C ATOM 252 CG ASP A 18 15.859 18.338 -10.231 1.00 35.21 C ATOM 253 OD1 ASP A 18 15.175 19.321 -10.584 1.00 55.43 O ATOM 254 OD2 ASP A 18 17.076 18.410 -9.965 1.00 44.24 O ATOM 0 H ASP A 18 14.527 16.153 -7.890 1.00 55.01 H new ATOM 0 HA ASP A 18 13.453 18.151 -9.571 1.00 61.44 H new ATOM 0 HB2 ASP A 18 15.756 16.346 -9.456 1.00 21.23 H new ATOM 0 HB3 ASP A 18 15.162 16.509 -11.097 1.00 21.23 H new ATOM 259 N ALA A 19 12.763 15.027 -10.376 1.00 24.33 N ATOM 260 CA ALA A 19 11.893 14.192 -11.195 1.00 10.42 C ATOM 261 C ALA A 19 10.543 14.864 -11.422 1.00 1.52 C ATOM 262 O ALA A 19 9.955 14.748 -12.497 1.00 3.13 O ATOM 263 CB ALA A 19 11.704 12.830 -10.545 1.00 34.22 C ATOM 0 H ALA A 19 13.335 14.511 -9.707 1.00 24.33 H new ATOM 0 HA ALA A 19 12.370 14.056 -12.166 1.00 10.42 H new ATOM 0 HB1 ALA A 19 11.052 12.217 -11.167 1.00 34.22 H new ATOM 0 HB2 ALA A 19 12.672 12.340 -10.440 1.00 34.22 H new ATOM 0 HB3 ALA A 19 11.252 12.956 -9.561 1.00 34.22 H new ATOM 269 N GLN A 20 10.058 15.566 -10.403 1.00 11.42 N ATOM 270 CA GLN A 20 8.776 16.256 -10.492 1.00 61.42 C ATOM 271 C GLN A 20 8.956 17.673 -11.025 1.00 2.20 C ATOM 272 O GLN A 20 8.307 18.070 -11.992 1.00 51.11 O ATOM 273 CB GLN A 20 8.098 16.295 -9.122 1.00 11.54 C ATOM 274 CG GLN A 20 7.037 15.223 -8.936 1.00 73.15 C ATOM 275 CD GLN A 20 7.321 13.974 -9.748 1.00 0.30 C ATOM 276 OE1 GLN A 20 6.445 13.460 -10.444 1.00 64.31 O ATOM 277 NE2 GLN A 20 8.550 13.480 -9.663 1.00 25.11 N ATOM 0 H GLN A 20 10.533 15.672 -9.507 1.00 11.42 H new ATOM 0 HA GLN A 20 8.143 15.705 -11.187 1.00 61.42 H new ATOM 0 HB2 GLN A 20 8.857 16.182 -8.347 1.00 11.54 H new ATOM 0 HB3 GLN A 20 7.641 17.274 -8.980 1.00 11.54 H new ATOM 0 HG2 GLN A 20 6.974 14.959 -7.880 1.00 73.15 H new ATOM 0 HG3 GLN A 20 6.065 15.625 -9.223 1.00 73.15 H new ATOM 0 HE21 GLN A 20 9.244 13.939 -9.074 1.00 25.11 H new ATOM 0 HE22 GLN A 20 8.800 12.641 -10.187 1.00 25.11 H new ATOM 286 N MET A 21 9.842 18.432 -10.387 1.00 74.31 N ATOM 287 CA MET A 21 10.107 19.805 -10.798 1.00 43.51 C ATOM 288 C MET A 21 10.287 19.895 -12.310 1.00 40.42 C ATOM 289 O MET A 21 9.915 20.891 -12.932 1.00 72.14 O ATOM 290 CB MET A 21 11.355 20.339 -10.092 1.00 10.51 C ATOM 291 CG MET A 21 11.187 21.747 -9.544 1.00 44.51 C ATOM 292 SD MET A 21 10.838 21.768 -7.775 1.00 70.43 S ATOM 293 CE MET A 21 9.557 20.520 -7.669 1.00 52.41 C ATOM 0 H MET A 21 10.388 18.119 -9.584 1.00 74.31 H new ATOM 0 HA MET A 21 9.249 20.415 -10.515 1.00 43.51 H new ATOM 0 HB2 MET A 21 11.615 19.668 -9.273 1.00 10.51 H new ATOM 0 HB3 MET A 21 12.191 20.327 -10.791 1.00 10.51 H new ATOM 0 HG2 MET A 21 12.095 22.319 -9.738 1.00 44.51 H new ATOM 0 HG3 MET A 21 10.377 22.245 -10.076 1.00 44.51 H new ATOM 0 HE1 MET A 21 9.040 20.609 -6.713 1.00 52.41 H new ATOM 0 HE2 MET A 21 8.844 20.660 -8.482 1.00 52.41 H new ATOM 0 HE3 MET A 21 10.006 19.530 -7.747 1.00 52.41 H new ATOM 303 N THR A 22 10.860 18.849 -12.897 1.00 4.20 N ATOM 304 CA THR A 22 11.091 18.811 -14.336 1.00 33.04 C ATOM 305 C THR A 22 9.802 18.508 -15.091 1.00 13.21 C ATOM 306 O THR A 22 9.637 18.907 -16.244 1.00 11.00 O ATOM 307 CB THR A 22 12.150 17.756 -14.707 1.00 51.21 C ATOM 308 OG1 THR A 22 13.395 18.397 -15.008 1.00 32.22 O ATOM 309 CG2 THR A 22 11.696 16.932 -15.902 1.00 65.43 C ATOM 0 H THR A 22 11.173 18.016 -12.398 1.00 4.20 H new ATOM 0 HA THR A 22 11.455 19.797 -14.624 1.00 33.04 H new ATOM 0 HB THR A 22 12.282 17.089 -13.855 1.00 51.21 H new ATOM 0 HG1 THR A 22 14.064 17.720 -15.241 1.00 32.22 H new ATOM 0 HG21 THR A 22 12.460 16.193 -16.146 1.00 65.43 H new ATOM 0 HG22 THR A 22 10.763 16.423 -15.660 1.00 65.43 H new ATOM 0 HG23 THR A 22 11.539 17.588 -16.758 1.00 65.43 H new ATOM 317 N LYS A 23 8.889 17.801 -14.434 1.00 33.21 N ATOM 318 CA LYS A 23 7.612 17.445 -15.042 1.00 41.51 C ATOM 319 C LYS A 23 6.637 18.617 -14.983 1.00 73.33 C ATOM 320 O LYS A 23 5.421 18.427 -15.021 1.00 24.13 O ATOM 321 CB LYS A 23 7.008 16.229 -14.336 1.00 44.32 C ATOM 322 CG LYS A 23 7.099 14.948 -15.147 1.00 42.21 C ATOM 323 CD LYS A 23 7.834 13.857 -14.386 1.00 14.32 C ATOM 324 CE LYS A 23 7.231 13.638 -13.007 1.00 21.33 C ATOM 325 NZ LYS A 23 7.063 12.190 -12.699 1.00 13.40 N ATOM 0 H LYS A 23 9.010 17.463 -13.479 1.00 33.21 H new ATOM 0 HA LYS A 23 7.792 17.197 -16.088 1.00 41.51 H new ATOM 0 HB2 LYS A 23 7.517 16.083 -13.383 1.00 44.32 H new ATOM 0 HB3 LYS A 23 5.961 16.433 -14.111 1.00 44.32 H new ATOM 0 HG2 LYS A 23 6.096 14.604 -15.399 1.00 42.21 H new ATOM 0 HG3 LYS A 23 7.614 15.147 -16.087 1.00 42.21 H new ATOM 0 HD2 LYS A 23 7.796 12.927 -14.953 1.00 14.32 H new ATOM 0 HD3 LYS A 23 8.885 14.126 -14.286 1.00 14.32 H new ATOM 0 HE2 LYS A 23 7.871 14.098 -12.254 1.00 21.33 H new ATOM 0 HE3 LYS A 23 6.263 14.136 -12.950 1.00 21.33 H new ATOM 0 HZ1 LYS A 23 6.745 12.079 -11.715 1.00 13.40 H new ATOM 0 HZ2 LYS A 23 6.355 11.779 -13.340 1.00 13.40 H new ATOM 0 HZ3 LYS A 23 7.971 11.700 -12.827 1.00 13.40 H new ATOM 339 N ALA A 24 7.177 19.827 -14.892 1.00 45.35 N ATOM 340 CA ALA A 24 6.355 21.029 -14.832 1.00 73.03 C ATOM 341 C ALA A 24 6.715 21.998 -15.954 1.00 32.44 C ATOM 342 O ALA A 24 5.847 22.445 -16.704 1.00 45.40 O ATOM 343 CB ALA A 24 6.507 21.706 -13.478 1.00 63.22 C ATOM 0 H ALA A 24 8.181 20.001 -14.858 1.00 45.35 H new ATOM 0 HA ALA A 24 5.314 20.734 -14.963 1.00 73.03 H new ATOM 0 HB1 ALA A 24 5.887 22.602 -13.448 1.00 63.22 H new ATOM 0 HB2 ALA A 24 6.192 21.021 -12.691 1.00 63.22 H new ATOM 0 HB3 ALA A 24 7.550 21.981 -13.324 1.00 63.22 H new ATOM 349 N LYS A 25 8.000 22.318 -16.062 1.00 54.41 N ATOM 350 CA LYS A 25 8.476 23.234 -17.092 1.00 72.12 C ATOM 351 C LYS A 25 8.192 22.681 -18.485 1.00 61.21 C ATOM 352 O LYS A 25 7.742 23.407 -19.370 1.00 75.25 O ATOM 353 CB LYS A 25 9.977 23.484 -16.927 1.00 74.11 C ATOM 354 CG LYS A 25 10.788 22.213 -16.742 1.00 1.53 C ATOM 355 CD LYS A 25 11.834 22.374 -15.651 1.00 33.11 C ATOM 356 CE LYS A 25 11.219 22.899 -14.363 1.00 0.14 C ATOM 357 NZ LYS A 25 11.957 22.421 -13.161 1.00 30.13 N ATOM 0 H LYS A 25 8.731 21.957 -15.449 1.00 54.41 H new ATOM 0 HA LYS A 25 7.942 24.178 -16.979 1.00 72.12 H new ATOM 0 HB2 LYS A 25 10.347 24.017 -17.803 1.00 74.11 H new ATOM 0 HB3 LYS A 25 10.136 24.135 -16.067 1.00 74.11 H new ATOM 0 HG2 LYS A 25 10.121 21.388 -16.490 1.00 1.53 H new ATOM 0 HG3 LYS A 25 11.277 21.952 -17.681 1.00 1.53 H new ATOM 0 HD2 LYS A 25 12.314 21.414 -15.461 1.00 33.11 H new ATOM 0 HD3 LYS A 25 12.612 23.058 -15.989 1.00 33.11 H new ATOM 0 HE2 LYS A 25 11.218 23.989 -14.379 1.00 0.14 H new ATOM 0 HE3 LYS A 25 10.179 22.580 -14.301 1.00 0.14 H new ATOM 0 HZ1 LYS A 25 11.281 22.052 -12.462 1.00 30.13 H new ATOM 0 HZ2 LYS A 25 12.617 21.666 -13.436 1.00 30.13 H new ATOM 0 HZ3 LYS A 25 12.490 23.211 -12.744 1.00 30.13 H new ATOM 371 N GLU A 26 8.458 21.391 -18.670 1.00 53.44 N ATOM 372 CA GLU A 26 8.230 20.742 -19.956 1.00 53.31 C ATOM 373 C GLU A 26 6.791 20.247 -20.068 1.00 33.23 C ATOM 374 O GLU A 26 6.166 20.354 -21.123 1.00 24.32 O ATOM 375 CB GLU A 26 9.199 19.573 -20.141 1.00 42.13 C ATOM 376 CG GLU A 26 9.546 18.859 -18.846 1.00 1.12 C ATOM 377 CD GLU A 26 10.029 17.440 -19.073 1.00 70.32 C ATOM 378 OE1 GLU A 26 10.773 17.215 -20.050 1.00 44.00 O ATOM 379 OE2 GLU A 26 9.662 16.554 -18.273 1.00 71.42 O ATOM 0 H GLU A 26 8.831 20.776 -17.947 1.00 53.44 H new ATOM 0 HA GLU A 26 8.405 21.477 -20.741 1.00 53.31 H new ATOM 0 HB2 GLU A 26 8.761 18.856 -20.835 1.00 42.13 H new ATOM 0 HB3 GLU A 26 10.116 19.942 -20.600 1.00 42.13 H new ATOM 0 HG2 GLU A 26 10.318 19.422 -18.321 1.00 1.12 H new ATOM 0 HG3 GLU A 26 8.669 18.841 -18.199 1.00 1.12 H new ATOM 386 N ALA A 27 6.271 19.704 -18.972 1.00 25.35 N ATOM 387 CA ALA A 27 4.907 19.193 -18.945 1.00 74.20 C ATOM 388 C ALA A 27 3.899 20.306 -19.210 1.00 35.12 C ATOM 389 O ALA A 27 2.843 20.074 -19.798 1.00 43.13 O ATOM 390 CB ALA A 27 4.619 18.525 -17.609 1.00 20.43 C ATOM 0 H ALA A 27 6.775 19.607 -18.090 1.00 25.35 H new ATOM 0 HA ALA A 27 4.808 18.452 -19.738 1.00 74.20 H new ATOM 0 HB1 ALA A 27 3.596 18.148 -17.604 1.00 20.43 H new ATOM 0 HB2 ALA A 27 5.312 17.697 -17.459 1.00 20.43 H new ATOM 0 HB3 ALA A 27 4.742 19.251 -16.805 1.00 20.43 H new ATOM 396 N GLY A 28 4.231 21.516 -18.770 1.00 53.12 N ATOM 397 CA GLY A 28 3.343 22.647 -18.969 1.00 21.14 C ATOM 398 C GLY A 28 2.389 22.846 -17.808 1.00 21.14 C ATOM 399 O GLY A 28 1.236 23.232 -18.000 1.00 41.24 O ATOM 0 H GLY A 28 5.099 21.733 -18.280 1.00 53.12 H new ATOM 0 HA2 GLY A 28 3.936 23.551 -19.107 1.00 21.14 H new ATOM 0 HA3 GLY A 28 2.770 22.499 -19.885 1.00 21.14 H new ATOM 403 N LYS A 29 2.869 22.580 -16.597 1.00 50.14 N ATOM 404 CA LYS A 29 2.052 22.731 -15.400 1.00 14.35 C ATOM 405 C LYS A 29 2.856 23.364 -14.268 1.00 70.42 C ATOM 406 O LYS A 29 4.084 23.276 -14.242 1.00 13.40 O ATOM 407 CB LYS A 29 1.506 21.372 -14.954 1.00 44.43 C ATOM 408 CG LYS A 29 2.572 20.441 -14.403 1.00 34.40 C ATOM 409 CD LYS A 29 2.030 19.036 -14.195 1.00 4.22 C ATOM 410 CE LYS A 29 1.399 18.488 -15.465 1.00 53.23 C ATOM 411 NZ LYS A 29 1.511 17.005 -15.546 1.00 4.52 N ATOM 0 H LYS A 29 3.821 22.259 -16.420 1.00 50.14 H new ATOM 0 HA LYS A 29 1.217 23.389 -15.642 1.00 14.35 H new ATOM 0 HB2 LYS A 29 0.743 21.529 -14.192 1.00 44.43 H new ATOM 0 HB3 LYS A 29 1.017 20.890 -15.801 1.00 44.43 H new ATOM 0 HG2 LYS A 29 3.418 20.408 -15.089 1.00 34.40 H new ATOM 0 HG3 LYS A 29 2.945 20.832 -13.456 1.00 34.40 H new ATOM 0 HD2 LYS A 29 2.837 18.377 -13.875 1.00 4.22 H new ATOM 0 HD3 LYS A 29 1.290 19.045 -13.395 1.00 4.22 H new ATOM 0 HE2 LYS A 29 0.348 18.775 -15.501 1.00 53.23 H new ATOM 0 HE3 LYS A 29 1.882 18.936 -16.333 1.00 53.23 H new ATOM 0 HZ1 LYS A 29 1.069 16.671 -16.426 1.00 4.52 H new ATOM 0 HZ2 LYS A 29 2.514 16.732 -15.537 1.00 4.52 H new ATOM 0 HZ3 LYS A 29 1.028 16.575 -14.731 1.00 4.52 H new ATOM 425 N VAL A 30 2.156 23.999 -13.334 1.00 0.12 N ATOM 426 CA VAL A 30 2.805 24.644 -12.198 1.00 60.44 C ATOM 427 C VAL A 30 3.455 23.615 -11.280 1.00 33.31 C ATOM 428 O VAL A 30 3.151 22.424 -11.351 1.00 21.31 O ATOM 429 CB VAL A 30 1.805 25.484 -11.383 1.00 13.30 C ATOM 430 CG1 VAL A 30 1.751 25.001 -9.942 1.00 3.34 C ATOM 431 CG2 VAL A 30 2.172 26.959 -11.447 1.00 25.04 C ATOM 0 H VAL A 30 1.139 24.081 -13.341 1.00 0.12 H new ATOM 0 HA VAL A 30 3.574 25.302 -12.604 1.00 60.44 H new ATOM 0 HB VAL A 30 0.814 25.361 -11.819 1.00 13.30 H new ATOM 0 HG11 VAL A 30 1.039 25.607 -9.382 1.00 3.34 H new ATOM 0 HG12 VAL A 30 1.436 23.958 -9.920 1.00 3.34 H new ATOM 0 HG13 VAL A 30 2.739 25.092 -9.491 1.00 3.34 H new ATOM 0 HG21 VAL A 30 1.455 27.538 -10.865 1.00 25.04 H new ATOM 0 HG22 VAL A 30 3.172 27.103 -11.037 1.00 25.04 H new ATOM 0 HG23 VAL A 30 2.153 27.294 -12.484 1.00 25.04 H new ATOM 441 N VAL A 31 4.351 24.082 -10.417 1.00 12.33 N ATOM 442 CA VAL A 31 5.043 23.203 -9.482 1.00 1.21 C ATOM 443 C VAL A 31 4.656 23.519 -8.041 1.00 63.34 C ATOM 444 O VAL A 31 4.404 24.673 -7.695 1.00 31.04 O ATOM 445 CB VAL A 31 6.572 23.320 -9.629 1.00 11.02 C ATOM 446 CG1 VAL A 31 7.270 22.775 -8.393 1.00 24.35 C ATOM 447 CG2 VAL A 31 7.043 22.596 -10.881 1.00 23.13 C ATOM 0 H VAL A 31 4.615 25.065 -10.346 1.00 12.33 H new ATOM 0 HA VAL A 31 4.739 22.184 -9.721 1.00 1.21 H new ATOM 0 HB VAL A 31 6.831 24.374 -9.728 1.00 11.02 H new ATOM 0 HG11 VAL A 31 8.349 22.866 -8.515 1.00 24.35 H new ATOM 0 HG12 VAL A 31 6.955 23.342 -7.517 1.00 24.35 H new ATOM 0 HG13 VAL A 31 7.007 21.726 -8.260 1.00 24.35 H new ATOM 0 HG21 VAL A 31 8.125 22.689 -10.969 1.00 23.13 H new ATOM 0 HG22 VAL A 31 6.773 21.542 -10.815 1.00 23.13 H new ATOM 0 HG23 VAL A 31 6.568 23.038 -11.757 1.00 23.13 H new ATOM 457 N ILE A 32 4.612 22.486 -7.207 1.00 22.13 N ATOM 458 CA ILE A 32 4.258 22.654 -5.803 1.00 33.51 C ATOM 459 C ILE A 32 5.082 21.728 -4.914 1.00 15.44 C ATOM 460 O ILE A 32 4.740 20.559 -4.732 1.00 41.32 O ATOM 461 CB ILE A 32 2.761 22.379 -5.563 1.00 63.24 C ATOM 462 CG1 ILE A 32 1.909 23.193 -6.539 1.00 34.13 C ATOM 463 CG2 ILE A 32 2.387 22.704 -4.125 1.00 73.21 C ATOM 464 CD1 ILE A 32 1.383 22.383 -7.703 1.00 50.01 C ATOM 0 H ILE A 32 4.817 21.524 -7.479 1.00 22.13 H new ATOM 0 HA ILE A 32 4.475 23.690 -5.545 1.00 33.51 H new ATOM 0 HB ILE A 32 2.568 21.320 -5.737 1.00 63.24 H new ATOM 0 HG12 ILE A 32 1.067 23.627 -5.999 1.00 34.13 H new ATOM 0 HG13 ILE A 32 2.503 24.022 -6.923 1.00 34.13 H new ATOM 0 HG21 ILE A 32 1.327 22.505 -3.971 1.00 73.21 H new ATOM 0 HG22 ILE A 32 2.975 22.085 -3.447 1.00 73.21 H new ATOM 0 HG23 ILE A 32 2.591 23.756 -3.925 1.00 73.21 H new ATOM 0 HD11 ILE A 32 0.788 23.024 -8.353 1.00 50.01 H new ATOM 0 HD12 ILE A 32 2.220 21.971 -8.267 1.00 50.01 H new ATOM 0 HD13 ILE A 32 0.762 21.569 -7.329 1.00 50.01 H new ATOM 476 N ILE A 33 6.166 22.260 -4.360 1.00 42.13 N ATOM 477 CA ILE A 33 7.037 21.483 -3.487 1.00 60.23 C ATOM 478 C ILE A 33 6.687 21.707 -2.020 1.00 54.12 C ATOM 479 O ILE A 33 6.628 22.844 -1.552 1.00 50.22 O ATOM 480 CB ILE A 33 8.519 21.838 -3.709 1.00 61.05 C ATOM 481 CG1 ILE A 33 8.729 22.383 -5.124 1.00 10.35 C ATOM 482 CG2 ILE A 33 9.397 20.619 -3.470 1.00 64.02 C ATOM 483 CD1 ILE A 33 8.630 23.890 -5.211 1.00 2.22 C ATOM 0 H ILE A 33 6.462 23.226 -4.500 1.00 42.13 H new ATOM 0 HA ILE A 33 6.881 20.434 -3.739 1.00 60.23 H new ATOM 0 HB ILE A 33 8.803 22.612 -2.996 1.00 61.05 H new ATOM 0 HG12 ILE A 33 9.709 22.070 -5.484 1.00 10.35 H new ATOM 0 HG13 ILE A 33 7.989 21.939 -5.789 1.00 10.35 H new ATOM 0 HG21 ILE A 33 10.442 20.886 -3.631 1.00 64.02 H new ATOM 0 HG22 ILE A 33 9.265 20.271 -2.446 1.00 64.02 H new ATOM 0 HG23 ILE A 33 9.114 19.826 -4.162 1.00 64.02 H new ATOM 0 HD11 ILE A 33 8.789 24.206 -6.242 1.00 2.22 H new ATOM 0 HD12 ILE A 33 7.641 24.209 -4.882 1.00 2.22 H new ATOM 0 HD13 ILE A 33 9.388 24.342 -4.572 1.00 2.22 H new ATOM 495 N ASP A 34 6.456 20.615 -1.299 1.00 41.33 N ATOM 496 CA ASP A 34 6.114 20.692 0.116 1.00 22.13 C ATOM 497 C ASP A 34 7.312 20.322 0.985 1.00 3.44 C ATOM 498 O ASP A 34 7.469 19.169 1.386 1.00 23.04 O ATOM 499 CB ASP A 34 4.937 19.767 0.429 1.00 12.22 C ATOM 500 CG ASP A 34 4.459 19.005 -0.791 1.00 24.51 C ATOM 501 OD1 ASP A 34 4.272 19.638 -1.851 1.00 62.22 O ATOM 502 OD2 ASP A 34 4.274 17.774 -0.686 1.00 13.31 O ATOM 0 H ASP A 34 6.499 19.666 -1.671 1.00 41.33 H new ATOM 0 HA ASP A 34 5.828 21.720 0.340 1.00 22.13 H new ATOM 0 HB2 ASP A 34 5.231 19.059 1.204 1.00 12.22 H new ATOM 0 HB3 ASP A 34 4.113 20.356 0.832 1.00 12.22 H new ATOM 507 N PHE A 35 8.156 21.309 1.272 1.00 74.41 N ATOM 508 CA PHE A 35 9.341 21.087 2.092 1.00 60.03 C ATOM 509 C PHE A 35 8.959 20.543 3.465 1.00 14.42 C ATOM 510 O PHE A 35 7.821 20.126 3.687 1.00 42.04 O ATOM 511 CB PHE A 35 10.130 22.389 2.247 1.00 21.44 C ATOM 512 CG PHE A 35 10.959 22.735 1.044 1.00 60.23 C ATOM 513 CD1 PHE A 35 12.033 21.941 0.674 1.00 75.33 C ATOM 514 CD2 PHE A 35 10.664 23.854 0.282 1.00 65.02 C ATOM 515 CE1 PHE A 35 12.797 22.258 -0.433 1.00 23.40 C ATOM 516 CE2 PHE A 35 11.425 24.176 -0.826 1.00 65.33 C ATOM 517 CZ PHE A 35 12.493 23.376 -1.185 1.00 33.34 C ATOM 0 H PHE A 35 8.041 22.270 0.949 1.00 74.41 H new ATOM 0 HA PHE A 35 9.967 20.348 1.591 1.00 60.03 H new ATOM 0 HB2 PHE A 35 9.434 23.204 2.445 1.00 21.44 H new ATOM 0 HB3 PHE A 35 10.782 22.308 3.116 1.00 21.44 H new ATOM 0 HD1 PHE A 35 12.275 21.065 1.257 1.00 75.33 H new ATOM 0 HD2 PHE A 35 9.830 24.482 0.557 1.00 65.02 H new ATOM 0 HE1 PHE A 35 13.632 21.631 -0.710 1.00 23.40 H new ATOM 0 HE2 PHE A 35 11.185 25.052 -1.411 1.00 65.33 H new ATOM 0 HZ PHE A 35 13.088 23.624 -2.051 1.00 33.34 H new ATOM 527 N THR A 36 9.917 20.551 4.386 1.00 25.11 N ATOM 528 CA THR A 36 9.683 20.058 5.737 1.00 23.43 C ATOM 529 C THR A 36 10.998 19.810 6.468 1.00 62.33 C ATOM 530 O THR A 36 11.950 19.286 5.891 1.00 63.54 O ATOM 531 CB THR A 36 8.862 18.754 5.725 1.00 2.43 C ATOM 532 OG1 THR A 36 9.032 18.057 6.964 1.00 12.03 O ATOM 533 CG2 THR A 36 9.286 17.859 4.571 1.00 31.51 C ATOM 0 H THR A 36 10.863 20.894 4.221 1.00 25.11 H new ATOM 0 HA THR A 36 9.119 20.829 6.261 1.00 23.43 H new ATOM 0 HB THR A 36 7.811 19.013 5.596 1.00 2.43 H new ATOM 0 HG1 THR A 36 8.506 17.230 6.949 1.00 12.03 H new ATOM 0 HG21 THR A 36 8.693 16.945 4.583 1.00 31.51 H new ATOM 0 HG22 THR A 36 9.128 18.382 3.628 1.00 31.51 H new ATOM 0 HG23 THR A 36 10.342 17.608 4.674 1.00 31.51 H new ATOM 629 N ARG A 44 -0.594 14.462 9.279 1.00 64.24 N ATOM 630 CA ARG A 44 -1.617 13.617 9.882 1.00 20.21 C ATOM 631 C ARG A 44 -3.002 14.233 9.709 1.00 73.43 C ATOM 632 O ARG A 44 -3.947 13.557 9.300 1.00 42.04 O ATOM 633 CB ARG A 44 -1.323 13.406 11.369 1.00 52.24 C ATOM 634 CG ARG A 44 -0.341 12.278 11.642 1.00 55.44 C ATOM 635 CD ARG A 44 -1.009 11.123 12.371 1.00 71.15 C ATOM 636 NE ARG A 44 -1.572 10.144 11.445 1.00 60.34 N ATOM 637 CZ ARG A 44 -2.215 9.049 11.834 1.00 34.14 C ATOM 638 NH1 ARG A 44 -2.377 8.795 13.126 1.00 41.24 N ATOM 639 NH2 ARG A 44 -2.699 8.205 10.932 1.00 52.45 N ATOM 0 HA ARG A 44 -1.601 12.652 9.375 1.00 20.21 H new ATOM 0 HB2 ARG A 44 -0.926 14.331 11.787 1.00 52.24 H new ATOM 0 HB3 ARG A 44 -2.258 13.197 11.889 1.00 52.24 H new ATOM 0 HG2 ARG A 44 0.077 11.922 10.700 1.00 55.44 H new ATOM 0 HG3 ARG A 44 0.490 12.654 12.238 1.00 55.44 H new ATOM 0 HD2 ARG A 44 -0.281 10.633 13.018 1.00 71.15 H new ATOM 0 HD3 ARG A 44 -1.799 11.509 13.015 1.00 71.15 H new ATOM 0 HE ARG A 44 -1.465 10.310 10.444 1.00 60.34 H new ATOM 0 HH11 ARG A 44 -2.007 9.441 13.823 1.00 41.24 H new ATOM 0 HH12 ARG A 44 -2.871 7.953 13.422 1.00 41.24 H new ATOM 0 HH21 ARG A 44 -2.578 8.397 9.938 1.00 52.45 H new ATOM 0 HH22 ARG A 44 -3.192 7.365 11.233 1.00 52.45 H new ATOM 653 N PHE A 45 -3.116 15.519 10.023 1.00 21.20 N ATOM 654 CA PHE A 45 -4.386 16.226 9.904 1.00 62.34 C ATOM 655 C PHE A 45 -4.634 16.657 8.461 1.00 13.53 C ATOM 656 O PHE A 45 -5.755 16.565 7.959 1.00 63.31 O ATOM 657 CB PHE A 45 -4.402 17.448 10.824 1.00 42.13 C ATOM 658 CG PHE A 45 -5.635 18.293 10.677 1.00 32.41 C ATOM 659 CD1 PHE A 45 -6.804 17.957 11.342 1.00 63.23 C ATOM 660 CD2 PHE A 45 -5.626 19.422 9.875 1.00 10.53 C ATOM 661 CE1 PHE A 45 -7.940 18.732 11.208 1.00 72.22 C ATOM 662 CE2 PHE A 45 -6.759 20.202 9.738 1.00 74.31 C ATOM 663 CZ PHE A 45 -7.918 19.856 10.406 1.00 3.20 C ATOM 0 H PHE A 45 -2.344 16.093 10.362 1.00 21.20 H new ATOM 0 HA PHE A 45 -5.183 15.545 10.204 1.00 62.34 H new ATOM 0 HB2 PHE A 45 -4.321 17.115 11.859 1.00 42.13 H new ATOM 0 HB3 PHE A 45 -3.525 18.061 10.617 1.00 42.13 H new ATOM 0 HD1 PHE A 45 -6.827 17.080 11.972 1.00 63.23 H new ATOM 0 HD2 PHE A 45 -4.723 19.696 9.350 1.00 10.53 H new ATOM 0 HE1 PHE A 45 -8.845 18.459 11.730 1.00 72.22 H new ATOM 0 HE2 PHE A 45 -6.738 21.080 9.110 1.00 74.31 H new ATOM 0 HZ PHE A 45 -8.805 20.463 10.301 1.00 3.20 H new ATOM 673 N ILE A 46 -3.582 17.130 7.802 1.00 61.22 N ATOM 674 CA ILE A 46 -3.685 17.575 6.418 1.00 53.51 C ATOM 675 C ILE A 46 -3.041 16.572 5.468 1.00 44.13 C ATOM 676 O ILE A 46 -2.867 16.849 4.281 1.00 23.32 O ATOM 677 CB ILE A 46 -3.024 18.952 6.219 1.00 51.12 C ATOM 678 CG1 ILE A 46 -3.633 19.664 5.009 1.00 3.31 C ATOM 679 CG2 ILE A 46 -1.520 18.798 6.048 1.00 33.40 C ATOM 680 CD1 ILE A 46 -3.526 21.172 5.079 1.00 74.42 C ATOM 0 H ILE A 46 -2.648 17.215 8.204 1.00 61.22 H new ATOM 0 HA ILE A 46 -4.748 17.655 6.191 1.00 53.51 H new ATOM 0 HB ILE A 46 -3.209 19.559 7.105 1.00 51.12 H new ATOM 0 HG12 ILE A 46 -3.137 19.314 4.104 1.00 3.31 H new ATOM 0 HG13 ILE A 46 -4.683 19.386 4.924 1.00 3.31 H new ATOM 0 HG21 ILE A 46 -1.067 19.780 5.908 1.00 33.40 H new ATOM 0 HG22 ILE A 46 -1.099 18.327 6.936 1.00 33.40 H new ATOM 0 HG23 ILE A 46 -1.315 18.176 5.176 1.00 33.40 H new ATOM 0 HD11 ILE A 46 -3.978 21.611 4.189 1.00 74.42 H new ATOM 0 HD12 ILE A 46 -4.047 21.533 5.966 1.00 74.42 H new ATOM 0 HD13 ILE A 46 -2.476 21.460 5.132 1.00 74.42 H new ATOM 692 N ALA A 47 -2.689 15.405 5.998 1.00 74.05 N ATOM 693 CA ALA A 47 -2.068 14.358 5.196 1.00 5.40 C ATOM 694 C ALA A 47 -2.943 13.986 4.005 1.00 73.24 C ATOM 695 O ALA A 47 -2.515 14.030 2.851 1.00 34.50 O ATOM 696 CB ALA A 47 -1.789 13.132 6.053 1.00 14.30 C ATOM 0 H ALA A 47 -2.823 15.161 6.979 1.00 74.05 H new ATOM 0 HA ALA A 47 -1.123 14.742 4.812 1.00 5.40 H new ATOM 0 HB1 ALA A 47 -1.325 12.358 5.441 1.00 14.30 H new ATOM 0 HB2 ALA A 47 -1.116 13.402 6.867 1.00 14.30 H new ATOM 0 HB3 ALA A 47 -2.725 12.756 6.466 1.00 14.30 H new ATOM 702 N PRO A 48 -4.199 13.609 4.287 1.00 13.42 N ATOM 703 CA PRO A 48 -5.162 13.222 3.252 1.00 65.45 C ATOM 704 C PRO A 48 -5.604 14.406 2.399 1.00 70.33 C ATOM 705 O PRO A 48 -6.471 14.272 1.535 1.00 13.13 O ATOM 706 CB PRO A 48 -6.343 12.669 4.053 1.00 5.25 C ATOM 707 CG PRO A 48 -6.245 13.339 5.381 1.00 74.23 C ATOM 708 CD PRO A 48 -4.777 13.534 5.640 1.00 71.04 C ATOM 0 HA PRO A 48 -4.736 12.508 2.547 1.00 65.45 H new ATOM 0 HB2 PRO A 48 -7.292 12.893 3.565 1.00 5.25 H new ATOM 0 HB3 PRO A 48 -6.283 11.585 4.151 1.00 5.25 H new ATOM 0 HG2 PRO A 48 -6.770 14.294 5.376 1.00 74.23 H new ATOM 0 HG3 PRO A 48 -6.701 12.729 6.160 1.00 74.23 H new ATOM 0 HD2 PRO A 48 -4.587 14.444 6.209 1.00 71.04 H new ATOM 0 HD3 PRO A 48 -4.356 12.707 6.211 1.00 71.04 H new ATOM 716 N VAL A 49 -5.002 15.565 2.646 1.00 33.10 N ATOM 717 CA VAL A 49 -5.333 16.773 1.899 1.00 34.34 C ATOM 718 C VAL A 49 -4.317 17.031 0.793 1.00 3.02 C ATOM 719 O VAL A 49 -4.683 17.268 -0.358 1.00 43.41 O ATOM 720 CB VAL A 49 -5.395 18.004 2.823 1.00 51.03 C ATOM 721 CG1 VAL A 49 -5.254 19.285 2.015 1.00 52.13 C ATOM 722 CG2 VAL A 49 -6.690 18.007 3.620 1.00 33.15 C ATOM 0 H VAL A 49 -4.283 15.693 3.358 1.00 33.10 H new ATOM 0 HA VAL A 49 -6.315 16.612 1.455 1.00 34.34 H new ATOM 0 HB VAL A 49 -4.563 17.952 3.525 1.00 51.03 H new ATOM 0 HG11 VAL A 49 -5.300 20.144 2.684 1.00 52.13 H new ATOM 0 HG12 VAL A 49 -4.297 19.282 1.493 1.00 52.13 H new ATOM 0 HG13 VAL A 49 -6.064 19.348 1.288 1.00 52.13 H new ATOM 0 HG21 VAL A 49 -6.717 18.884 4.267 1.00 33.15 H new ATOM 0 HG22 VAL A 49 -7.538 18.035 2.936 1.00 33.15 H new ATOM 0 HG23 VAL A 49 -6.745 17.105 4.229 1.00 33.15 H new ATOM 732 N PHE A 50 -3.037 16.983 1.150 1.00 75.22 N ATOM 733 CA PHE A 50 -1.966 17.212 0.187 1.00 13.12 C ATOM 734 C PHE A 50 -1.983 16.150 -0.909 1.00 13.35 C ATOM 735 O PHE A 50 -2.337 16.430 -2.054 1.00 2.35 O ATOM 736 CB PHE A 50 -0.609 17.211 0.893 1.00 42.10 C ATOM 737 CG PHE A 50 -0.493 18.251 1.970 1.00 5.14 C ATOM 738 CD1 PHE A 50 -1.395 19.300 2.039 1.00 35.15 C ATOM 739 CD2 PHE A 50 0.519 18.180 2.914 1.00 23.12 C ATOM 740 CE1 PHE A 50 -1.290 20.259 3.029 1.00 31.44 C ATOM 741 CE2 PHE A 50 0.629 19.136 3.907 1.00 63.52 C ATOM 742 CZ PHE A 50 -0.277 20.176 3.965 1.00 73.31 C ATOM 0 H PHE A 50 -2.717 16.788 2.099 1.00 75.22 H new ATOM 0 HA PHE A 50 -2.128 18.186 -0.274 1.00 13.12 H new ATOM 0 HB2 PHE A 50 -0.436 16.227 1.329 1.00 42.10 H new ATOM 0 HB3 PHE A 50 0.176 17.375 0.155 1.00 42.10 H new ATOM 0 HD1 PHE A 50 -2.190 19.369 1.311 1.00 35.15 H new ATOM 0 HD2 PHE A 50 1.230 17.368 2.874 1.00 23.12 H new ATOM 0 HE1 PHE A 50 -1.999 21.072 3.071 1.00 31.44 H new ATOM 0 HE2 PHE A 50 1.423 19.069 4.636 1.00 63.52 H new ATOM 0 HZ PHE A 50 -0.194 20.923 4.740 1.00 73.31 H new ATOM 752 N ALA A 51 -1.598 14.930 -0.548 1.00 40.51 N ATOM 753 CA ALA A 51 -1.570 13.826 -1.499 1.00 41.10 C ATOM 754 C ALA A 51 -2.848 13.784 -2.329 1.00 73.13 C ATOM 755 O ALA A 51 -2.799 13.694 -3.555 1.00 75.15 O ATOM 756 CB ALA A 51 -1.368 12.506 -0.769 1.00 55.32 C ATOM 0 H ALA A 51 -1.301 14.682 0.396 1.00 40.51 H new ATOM 0 HA ALA A 51 -0.732 13.985 -2.178 1.00 41.10 H new ATOM 0 HB1 ALA A 51 -1.349 11.690 -1.491 1.00 55.32 H new ATOM 0 HB2 ALA A 51 -0.423 12.532 -0.226 1.00 55.32 H new ATOM 0 HB3 ALA A 51 -2.187 12.350 -0.066 1.00 55.32 H new ATOM 762 N GLU A 52 -3.991 13.849 -1.652 1.00 64.14 N ATOM 763 CA GLU A 52 -5.282 13.816 -2.329 1.00 42.42 C ATOM 764 C GLU A 52 -5.445 15.023 -3.249 1.00 4.43 C ATOM 765 O GLU A 52 -6.104 14.943 -4.286 1.00 3.14 O ATOM 766 CB GLU A 52 -6.419 13.784 -1.306 1.00 4.34 C ATOM 767 CG GLU A 52 -6.999 15.154 -0.997 1.00 5.32 C ATOM 768 CD GLU A 52 -8.228 15.082 -0.112 1.00 23.41 C ATOM 769 OE1 GLU A 52 -9.045 14.158 -0.308 1.00 54.01 O ATOM 770 OE2 GLU A 52 -8.372 15.947 0.776 1.00 14.40 O ATOM 0 H GLU A 52 -4.049 13.925 -0.636 1.00 64.14 H new ATOM 0 HA GLU A 52 -5.322 12.911 -2.935 1.00 42.42 H new ATOM 0 HB2 GLU A 52 -7.214 13.138 -1.679 1.00 4.34 H new ATOM 0 HB3 GLU A 52 -6.052 13.337 -0.382 1.00 4.34 H new ATOM 0 HG2 GLU A 52 -6.239 15.764 -0.508 1.00 5.32 H new ATOM 0 HG3 GLU A 52 -7.257 15.654 -1.931 1.00 5.32 H new ATOM 777 N TYR A 53 -4.840 16.141 -2.861 1.00 30.32 N ATOM 778 CA TYR A 53 -4.920 17.366 -3.648 1.00 22.34 C ATOM 779 C TYR A 53 -4.113 17.239 -4.937 1.00 35.25 C ATOM 780 O TYR A 53 -4.584 17.601 -6.014 1.00 71.34 O ATOM 781 CB TYR A 53 -4.413 18.555 -2.831 1.00 2.33 C ATOM 782 CG TYR A 53 -5.464 19.164 -1.931 1.00 14.30 C ATOM 783 CD1 TYR A 53 -6.665 18.507 -1.690 1.00 1.53 C ATOM 784 CD2 TYR A 53 -5.258 20.396 -1.323 1.00 52.41 C ATOM 785 CE1 TYR A 53 -7.629 19.060 -0.869 1.00 10.21 C ATOM 786 CE2 TYR A 53 -6.216 20.956 -0.500 1.00 21.13 C ATOM 787 CZ TYR A 53 -7.400 20.284 -0.276 1.00 3.21 C ATOM 788 OH TYR A 53 -8.357 20.839 0.542 1.00 22.24 O ATOM 0 H TYR A 53 -4.289 16.224 -2.007 1.00 30.32 H new ATOM 0 HA TYR A 53 -5.965 17.532 -3.910 1.00 22.34 H new ATOM 0 HB2 TYR A 53 -3.568 18.233 -2.222 1.00 2.33 H new ATOM 0 HB3 TYR A 53 -4.042 19.321 -3.512 1.00 2.33 H new ATOM 0 HD1 TYR A 53 -6.848 17.548 -2.152 1.00 1.53 H new ATOM 0 HD2 TYR A 53 -4.333 20.925 -1.497 1.00 52.41 H new ATOM 0 HE1 TYR A 53 -8.557 18.537 -0.693 1.00 10.21 H new ATOM 0 HE2 TYR A 53 -6.039 21.914 -0.035 1.00 21.13 H new ATOM 0 HH TYR A 53 -8.038 21.702 0.880 1.00 22.24 H new ATOM 798 N ALA A 54 -2.895 16.721 -4.816 1.00 53.21 N ATOM 799 CA ALA A 54 -2.023 16.543 -5.970 1.00 54.35 C ATOM 800 C ALA A 54 -2.803 16.018 -7.171 1.00 63.23 C ATOM 801 O ALA A 54 -2.622 16.487 -8.295 1.00 75.13 O ATOM 802 CB ALA A 54 -0.880 15.600 -5.628 1.00 5.35 C ATOM 0 H ALA A 54 -2.490 16.417 -3.930 1.00 53.21 H new ATOM 0 HA ALA A 54 -1.609 17.516 -6.235 1.00 54.35 H new ATOM 0 HB1 ALA A 54 -0.237 15.477 -6.499 1.00 5.35 H new ATOM 0 HB2 ALA A 54 -0.299 16.016 -4.805 1.00 5.35 H new ATOM 0 HB3 ALA A 54 -1.283 14.631 -5.335 1.00 5.35 H new ATOM 808 N LYS A 55 -3.669 15.041 -6.927 1.00 32.33 N ATOM 809 CA LYS A 55 -4.477 14.451 -7.987 1.00 73.14 C ATOM 810 C LYS A 55 -5.640 15.366 -8.358 1.00 72.31 C ATOM 811 O LYS A 55 -5.958 15.538 -9.535 1.00 63.22 O ATOM 812 CB LYS A 55 -5.009 13.084 -7.551 1.00 70.33 C ATOM 813 CG LYS A 55 -3.938 12.165 -6.989 1.00 44.44 C ATOM 814 CD LYS A 55 -4.542 11.049 -6.154 1.00 41.12 C ATOM 815 CE LYS A 55 -5.473 10.176 -6.981 1.00 70.20 C ATOM 816 NZ LYS A 55 -4.755 9.024 -7.594 1.00 42.42 N ATOM 0 H LYS A 55 -3.829 14.640 -6.003 1.00 32.33 H new ATOM 0 HA LYS A 55 -3.843 14.324 -8.864 1.00 73.14 H new ATOM 0 HB2 LYS A 55 -5.784 13.228 -6.798 1.00 70.33 H new ATOM 0 HB3 LYS A 55 -5.481 12.598 -8.405 1.00 70.33 H new ATOM 0 HG2 LYS A 55 -3.360 11.736 -7.807 1.00 44.44 H new ATOM 0 HG3 LYS A 55 -3.245 12.743 -6.378 1.00 44.44 H new ATOM 0 HD2 LYS A 55 -3.745 10.436 -5.733 1.00 41.12 H new ATOM 0 HD3 LYS A 55 -5.092 11.477 -5.316 1.00 41.12 H new ATOM 0 HE2 LYS A 55 -6.280 9.806 -6.349 1.00 70.20 H new ATOM 0 HE3 LYS A 55 -5.932 10.777 -7.766 1.00 70.20 H new ATOM 0 HZ1 LYS A 55 -5.424 8.454 -8.149 1.00 42.42 H new ATOM 0 HZ2 LYS A 55 -4.001 9.377 -8.217 1.00 42.42 H new ATOM 0 HZ3 LYS A 55 -4.338 8.436 -6.844 1.00 42.42 H new ATOM 830 N LYS A 56 -6.272 15.952 -7.347 1.00 23.34 N ATOM 831 CA LYS A 56 -7.398 16.852 -7.565 1.00 61.34 C ATOM 832 C LYS A 56 -7.024 17.964 -8.539 1.00 41.44 C ATOM 833 O LYS A 56 -7.872 18.471 -9.274 1.00 71.11 O ATOM 834 CB LYS A 56 -7.860 17.456 -6.237 1.00 70.34 C ATOM 835 CG LYS A 56 -8.420 16.432 -5.266 1.00 31.45 C ATOM 836 CD LYS A 56 -9.817 16.809 -4.802 1.00 31.42 C ATOM 837 CE LYS A 56 -9.818 18.133 -4.054 1.00 42.34 C ATOM 838 NZ LYS A 56 -11.185 18.717 -3.961 1.00 64.10 N ATOM 0 H LYS A 56 -6.023 15.819 -6.367 1.00 23.34 H new ATOM 0 HA LYS A 56 -8.215 16.274 -7.997 1.00 61.34 H new ATOM 0 HB2 LYS A 56 -7.019 17.967 -5.768 1.00 70.34 H new ATOM 0 HB3 LYS A 56 -8.621 18.210 -6.436 1.00 70.34 H new ATOM 0 HG2 LYS A 56 -8.446 15.453 -5.744 1.00 31.45 H new ATOM 0 HG3 LYS A 56 -7.759 16.348 -4.403 1.00 31.45 H new ATOM 0 HD2 LYS A 56 -10.482 16.876 -5.663 1.00 31.42 H new ATOM 0 HD3 LYS A 56 -10.211 16.025 -4.156 1.00 31.42 H new ATOM 0 HE2 LYS A 56 -9.418 17.984 -3.051 1.00 42.34 H new ATOM 0 HE3 LYS A 56 -9.156 18.836 -4.560 1.00 42.34 H new ATOM 0 HZ1 LYS A 56 -11.143 19.619 -3.444 1.00 64.10 H new ATOM 0 HZ2 LYS A 56 -11.557 18.883 -4.918 1.00 64.10 H new ATOM 0 HZ3 LYS A 56 -11.811 18.057 -3.456 1.00 64.10 H new ATOM 852 N PHE A 57 -5.749 18.339 -8.541 1.00 10.51 N ATOM 853 CA PHE A 57 -5.263 19.392 -9.425 1.00 41.14 C ATOM 854 C PHE A 57 -4.330 18.821 -10.489 1.00 61.21 C ATOM 855 O PHE A 57 -3.112 18.766 -10.318 1.00 42.43 O ATOM 856 CB PHE A 57 -4.536 20.470 -8.619 1.00 23.13 C ATOM 857 CG PHE A 57 -5.448 21.536 -8.083 1.00 74.31 C ATOM 858 CD1 PHE A 57 -6.047 21.394 -6.841 1.00 41.25 C ATOM 859 CD2 PHE A 57 -5.708 22.679 -8.822 1.00 33.05 C ATOM 860 CE1 PHE A 57 -6.887 22.373 -6.345 1.00 40.44 C ATOM 861 CE2 PHE A 57 -6.547 23.662 -8.331 1.00 31.45 C ATOM 862 CZ PHE A 57 -7.138 23.508 -7.092 1.00 11.14 C ATOM 0 H PHE A 57 -5.034 17.929 -7.940 1.00 10.51 H new ATOM 0 HA PHE A 57 -6.123 19.839 -9.923 1.00 41.14 H new ATOM 0 HB2 PHE A 57 -4.013 19.999 -7.787 1.00 23.13 H new ATOM 0 HB3 PHE A 57 -3.778 20.935 -9.250 1.00 23.13 H new ATOM 0 HD1 PHE A 57 -5.855 20.508 -6.254 1.00 41.25 H new ATOM 0 HD2 PHE A 57 -5.250 22.803 -9.792 1.00 33.05 H new ATOM 0 HE1 PHE A 57 -7.346 22.251 -5.375 1.00 40.44 H new ATOM 0 HE2 PHE A 57 -6.740 24.549 -8.916 1.00 31.45 H new ATOM 0 HZ PHE A 57 -7.795 24.274 -6.708 1.00 11.14 H new ATOM 872 N PRO A 58 -4.914 18.384 -11.615 1.00 30.44 N ATOM 873 CA PRO A 58 -4.155 17.808 -12.729 1.00 4.43 C ATOM 874 C PRO A 58 -3.311 18.851 -13.455 1.00 35.10 C ATOM 875 O PRO A 58 -2.649 18.547 -14.446 1.00 60.10 O ATOM 876 CB PRO A 58 -5.243 17.261 -13.655 1.00 53.32 C ATOM 877 CG PRO A 58 -6.448 18.082 -13.350 1.00 14.24 C ATOM 878 CD PRO A 58 -6.361 18.418 -11.886 1.00 61.44 C ATOM 0 HA PRO A 58 -3.445 17.053 -12.392 1.00 4.43 H new ATOM 0 HB2 PRO A 58 -4.955 17.354 -14.702 1.00 53.32 H new ATOM 0 HB3 PRO A 58 -5.427 16.203 -13.468 1.00 53.32 H new ATOM 0 HG2 PRO A 58 -6.468 18.987 -13.957 1.00 14.24 H new ATOM 0 HG3 PRO A 58 -7.362 17.530 -13.570 1.00 14.24 H new ATOM 0 HD2 PRO A 58 -6.787 19.398 -11.672 1.00 61.44 H new ATOM 0 HD3 PRO A 58 -6.902 17.695 -11.275 1.00 61.44 H new ATOM 886 N GLY A 59 -3.341 20.082 -12.955 1.00 2.55 N ATOM 887 CA GLY A 59 -2.575 21.151 -13.569 1.00 4.15 C ATOM 888 C GLY A 59 -1.285 21.440 -12.827 1.00 22.05 C ATOM 889 O GLY A 59 -0.717 22.524 -12.955 1.00 4.03 O ATOM 0 H GLY A 59 -3.882 20.358 -12.136 1.00 2.55 H new ATOM 0 HA2 GLY A 59 -2.345 20.883 -14.600 1.00 4.15 H new ATOM 0 HA3 GLY A 59 -3.182 22.056 -13.602 1.00 4.15 H new ATOM 893 N ALA A 60 -0.822 20.468 -12.047 1.00 11.32 N ATOM 894 CA ALA A 60 0.409 20.624 -11.282 1.00 32.53 C ATOM 895 C ALA A 60 1.112 19.283 -11.094 1.00 54.25 C ATOM 896 O ALA A 60 0.509 18.225 -11.274 1.00 23.40 O ATOM 897 CB ALA A 60 0.114 21.260 -9.932 1.00 2.34 C ATOM 0 H ALA A 60 -1.281 19.565 -11.929 1.00 11.32 H new ATOM 0 HA ALA A 60 1.076 21.279 -11.843 1.00 32.53 H new ATOM 0 HB1 ALA A 60 1.042 21.371 -9.371 1.00 2.34 H new ATOM 0 HB2 ALA A 60 -0.338 22.240 -10.083 1.00 2.34 H new ATOM 0 HB3 ALA A 60 -0.574 20.625 -9.373 1.00 2.34 H new ATOM 903 N VAL A 61 2.390 19.336 -10.733 1.00 72.32 N ATOM 904 CA VAL A 61 3.175 18.125 -10.521 1.00 53.53 C ATOM 905 C VAL A 61 3.131 17.691 -9.061 1.00 21.13 C ATOM 906 O VAL A 61 3.092 16.498 -8.757 1.00 54.35 O ATOM 907 CB VAL A 61 4.643 18.328 -10.942 1.00 34.32 C ATOM 908 CG1 VAL A 61 4.734 18.647 -12.426 1.00 71.43 C ATOM 909 CG2 VAL A 61 5.288 19.427 -10.111 1.00 74.13 C ATOM 0 H VAL A 61 2.904 20.204 -10.581 1.00 72.32 H new ATOM 0 HA VAL A 61 2.731 17.346 -11.141 1.00 53.53 H new ATOM 0 HB VAL A 61 5.186 17.401 -10.761 1.00 34.32 H new ATOM 0 HG11 VAL A 61 5.778 18.787 -12.705 1.00 71.43 H new ATOM 0 HG12 VAL A 61 4.312 17.823 -13.002 1.00 71.43 H new ATOM 0 HG13 VAL A 61 4.177 19.560 -12.637 1.00 71.43 H new ATOM 0 HG21 VAL A 61 6.325 19.557 -10.422 1.00 74.13 H new ATOM 0 HG22 VAL A 61 4.745 20.361 -10.258 1.00 74.13 H new ATOM 0 HG23 VAL A 61 5.257 19.152 -9.057 1.00 74.13 H new ATOM 919 N PHE A 62 3.138 18.667 -8.158 1.00 61.54 N ATOM 920 CA PHE A 62 3.100 18.385 -6.728 1.00 52.30 C ATOM 921 C PHE A 62 4.278 17.509 -6.314 1.00 64.33 C ATOM 922 O PHE A 62 4.811 16.744 -7.120 1.00 20.02 O ATOM 923 CB PHE A 62 1.784 17.698 -6.357 1.00 11.52 C ATOM 924 CG PHE A 62 0.587 18.599 -6.464 1.00 74.04 C ATOM 925 CD1 PHE A 62 -0.070 18.759 -7.674 1.00 34.42 C ATOM 926 CD2 PHE A 62 0.118 19.286 -5.356 1.00 44.31 C ATOM 927 CE1 PHE A 62 -1.173 19.586 -7.776 1.00 43.22 C ATOM 928 CE2 PHE A 62 -0.984 20.115 -5.452 1.00 64.23 C ATOM 929 CZ PHE A 62 -1.629 20.266 -6.664 1.00 72.00 C ATOM 0 H PHE A 62 3.170 19.659 -8.392 1.00 61.54 H new ATOM 0 HA PHE A 62 3.170 19.333 -6.195 1.00 52.30 H new ATOM 0 HB2 PHE A 62 1.638 16.835 -7.006 1.00 11.52 H new ATOM 0 HB3 PHE A 62 1.855 17.321 -5.337 1.00 11.52 H new ATOM 0 HD1 PHE A 62 0.284 18.231 -8.547 1.00 34.42 H new ATOM 0 HD2 PHE A 62 0.619 19.173 -4.406 1.00 44.31 H new ATOM 0 HE1 PHE A 62 -1.677 19.700 -8.724 1.00 43.22 H new ATOM 0 HE2 PHE A 62 -1.340 20.644 -4.580 1.00 64.23 H new ATOM 0 HZ PHE A 62 -2.489 20.915 -6.742 1.00 72.00 H new ATOM 939 N LEU A 63 4.681 17.626 -5.054 1.00 20.21 N ATOM 940 CA LEU A 63 5.797 16.845 -4.532 1.00 1.05 C ATOM 941 C LEU A 63 6.240 17.372 -3.170 1.00 65.15 C ATOM 942 O LEU A 63 6.139 18.567 -2.892 1.00 32.22 O ATOM 943 CB LEU A 63 6.971 16.879 -5.511 1.00 64.43 C ATOM 944 CG LEU A 63 8.366 16.795 -4.890 1.00 62.34 C ATOM 945 CD1 LEU A 63 8.913 15.380 -4.996 1.00 63.32 C ATOM 946 CD2 LEU A 63 9.309 17.784 -5.560 1.00 55.31 C ATOM 0 H LEU A 63 4.252 18.254 -4.375 1.00 20.21 H new ATOM 0 HA LEU A 63 5.463 15.815 -4.411 1.00 1.05 H new ATOM 0 HB2 LEU A 63 6.857 16.052 -6.212 1.00 64.43 H new ATOM 0 HB3 LEU A 63 6.908 17.800 -6.091 1.00 64.43 H new ATOM 0 HG LEU A 63 8.289 17.055 -3.834 1.00 62.34 H new ATOM 0 HD11 LEU A 63 9.906 15.339 -4.549 1.00 63.32 H new ATOM 0 HD12 LEU A 63 8.250 14.693 -4.470 1.00 63.32 H new ATOM 0 HD13 LEU A 63 8.975 15.092 -6.045 1.00 63.32 H new ATOM 0 HD21 LEU A 63 10.297 17.710 -5.105 1.00 55.31 H new ATOM 0 HD22 LEU A 63 9.381 17.555 -6.623 1.00 55.31 H new ATOM 0 HD23 LEU A 63 8.925 18.796 -5.432 1.00 55.31 H new ATOM 958 N LYS A 64 6.735 16.473 -2.326 1.00 72.23 N ATOM 959 CA LYS A 64 7.198 16.846 -0.995 1.00 32.00 C ATOM 960 C LYS A 64 8.699 16.612 -0.855 1.00 54.04 C ATOM 961 O LYS A 64 9.211 15.561 -1.239 1.00 25.42 O ATOM 962 CB LYS A 64 6.445 16.047 0.072 1.00 41.43 C ATOM 963 CG LYS A 64 7.353 15.221 0.966 1.00 12.45 C ATOM 964 CD LYS A 64 6.554 14.298 1.871 1.00 60.33 C ATOM 965 CE LYS A 64 5.392 13.657 1.127 1.00 64.04 C ATOM 966 NZ LYS A 64 4.907 12.426 1.810 1.00 65.11 N ATOM 0 H LYS A 64 6.826 15.480 -2.541 1.00 72.23 H new ATOM 0 HA LYS A 64 6.999 17.908 -0.853 1.00 32.00 H new ATOM 0 HB2 LYS A 64 5.869 16.735 0.690 1.00 41.43 H new ATOM 0 HB3 LYS A 64 5.731 15.385 -0.418 1.00 41.43 H new ATOM 0 HG2 LYS A 64 8.032 14.631 0.351 1.00 12.45 H new ATOM 0 HG3 LYS A 64 7.969 15.884 1.573 1.00 12.45 H new ATOM 0 HD2 LYS A 64 7.207 13.520 2.267 1.00 60.33 H new ATOM 0 HD3 LYS A 64 6.175 14.861 2.724 1.00 60.33 H new ATOM 0 HE2 LYS A 64 4.574 14.373 1.045 1.00 64.04 H new ATOM 0 HE3 LYS A 64 5.703 13.410 0.112 1.00 64.04 H new ATOM 0 HZ1 LYS A 64 4.115 12.019 1.272 1.00 65.11 H new ATOM 0 HZ2 LYS A 64 5.680 11.732 1.866 1.00 65.11 H new ATOM 0 HZ3 LYS A 64 4.586 12.665 2.770 1.00 65.11 H new ATOM 980 N VAL A 65 9.398 17.598 -0.303 1.00 11.31 N ATOM 981 CA VAL A 65 10.840 17.498 -0.110 1.00 53.52 C ATOM 982 C VAL A 65 11.199 17.523 1.371 1.00 2.21 C ATOM 983 O VAL A 65 10.400 17.945 2.207 1.00 21.24 O ATOM 984 CB VAL A 65 11.582 18.642 -0.827 1.00 1.14 C ATOM 985 CG1 VAL A 65 13.076 18.562 -0.554 1.00 45.02 C ATOM 986 CG2 VAL A 65 11.302 18.605 -2.321 1.00 74.03 C ATOM 0 H VAL A 65 8.989 18.475 0.019 1.00 11.31 H new ATOM 0 HA VAL A 65 11.152 16.546 -0.540 1.00 53.52 H new ATOM 0 HB VAL A 65 11.215 19.591 -0.436 1.00 1.14 H new ATOM 0 HG11 VAL A 65 13.584 19.378 -1.068 1.00 45.02 H new ATOM 0 HG12 VAL A 65 13.255 18.642 0.518 1.00 45.02 H new ATOM 0 HG13 VAL A 65 13.461 17.609 -0.916 1.00 45.02 H new ATOM 0 HG21 VAL A 65 11.834 19.420 -2.811 1.00 74.03 H new ATOM 0 HG22 VAL A 65 11.639 17.653 -2.731 1.00 74.03 H new ATOM 0 HG23 VAL A 65 10.231 18.715 -2.493 1.00 74.03 H new ATOM 996 N ASP A 66 12.407 17.069 1.689 1.00 54.43 N ATOM 997 CA ASP A 66 12.874 17.041 3.070 1.00 72.32 C ATOM 998 C ASP A 66 14.103 17.927 3.246 1.00 14.24 C ATOM 999 O ASP A 66 15.175 17.633 2.718 1.00 72.40 O ATOM 1000 CB ASP A 66 13.199 15.607 3.491 1.00 63.21 C ATOM 1001 CG ASP A 66 12.627 15.259 4.851 1.00 74.53 C ATOM 1002 OD1 ASP A 66 12.927 15.981 5.823 1.00 3.44 O ATOM 1003 OD2 ASP A 66 11.879 14.263 4.943 1.00 75.55 O ATOM 0 H ASP A 66 13.080 16.716 1.009 1.00 54.43 H new ATOM 0 HA ASP A 66 12.077 17.426 3.706 1.00 72.32 H new ATOM 0 HB2 ASP A 66 12.805 14.915 2.747 1.00 63.21 H new ATOM 0 HB3 ASP A 66 14.281 15.473 3.510 1.00 63.21 H new ATOM 1008 N VAL A 67 13.939 19.015 3.992 1.00 11.32 N ATOM 1009 CA VAL A 67 15.034 19.945 4.239 1.00 45.24 C ATOM 1010 C VAL A 67 15.950 19.435 5.345 1.00 23.43 C ATOM 1011 O VAL A 67 16.489 20.216 6.130 1.00 53.14 O ATOM 1012 CB VAL A 67 14.510 21.341 4.625 1.00 71.03 C ATOM 1013 CG1 VAL A 67 13.298 21.708 3.782 1.00 35.34 C ATOM 1014 CG2 VAL A 67 14.174 21.392 6.108 1.00 44.25 C ATOM 0 H VAL A 67 13.058 19.274 4.436 1.00 11.32 H new ATOM 0 HA VAL A 67 15.599 20.021 3.310 1.00 45.24 H new ATOM 0 HB VAL A 67 15.294 22.072 4.428 1.00 71.03 H new ATOM 0 HG11 VAL A 67 12.942 22.697 4.069 1.00 35.34 H new ATOM 0 HG12 VAL A 67 13.576 21.714 2.728 1.00 35.34 H new ATOM 0 HG13 VAL A 67 12.507 20.976 3.944 1.00 35.34 H new ATOM 0 HG21 VAL A 67 13.805 22.385 6.364 1.00 44.25 H new ATOM 0 HG22 VAL A 67 13.407 20.651 6.333 1.00 44.25 H new ATOM 0 HG23 VAL A 67 15.069 21.176 6.691 1.00 44.25 H new ATOM 1024 N ASP A 68 16.123 18.119 5.402 1.00 20.34 N ATOM 1025 CA ASP A 68 16.976 17.503 6.412 1.00 34.45 C ATOM 1026 C ASP A 68 17.952 16.520 5.773 1.00 3.34 C ATOM 1027 O ASP A 68 18.831 15.980 6.444 1.00 2.21 O ATOM 1028 CB ASP A 68 16.124 16.785 7.461 1.00 51.02 C ATOM 1029 CG ASP A 68 16.854 16.609 8.778 1.00 54.01 C ATOM 1030 OD1 ASP A 68 17.656 17.497 9.135 1.00 21.13 O ATOM 1031 OD2 ASP A 68 16.622 15.584 9.452 1.00 74.21 O ATOM 0 H ASP A 68 15.684 17.458 4.761 1.00 20.34 H new ATOM 0 HA ASP A 68 17.549 18.292 6.898 1.00 34.45 H new ATOM 0 HB2 ASP A 68 15.208 17.351 7.630 1.00 51.02 H new ATOM 0 HB3 ASP A 68 15.830 15.808 7.079 1.00 51.02 H new ATOM 1036 N GLU A 69 17.790 16.294 4.474 1.00 64.44 N ATOM 1037 CA GLU A 69 18.657 15.375 3.745 1.00 21.43 C ATOM 1038 C GLU A 69 19.164 16.012 2.455 1.00 4.20 C ATOM 1039 O GLU A 69 20.292 15.762 2.027 1.00 0.20 O ATOM 1040 CB GLU A 69 17.910 14.078 3.427 1.00 71.11 C ATOM 1041 CG GLU A 69 16.743 14.267 2.472 1.00 20.52 C ATOM 1042 CD GLU A 69 15.737 13.135 2.550 1.00 33.20 C ATOM 1043 OE1 GLU A 69 16.135 11.971 2.337 1.00 33.42 O ATOM 1044 OE2 GLU A 69 14.551 13.414 2.824 1.00 13.24 O ATOM 0 H GLU A 69 17.067 16.734 3.904 1.00 64.44 H new ATOM 0 HA GLU A 69 19.514 15.146 4.378 1.00 21.43 H new ATOM 0 HB2 GLU A 69 18.610 13.362 2.996 1.00 71.11 H new ATOM 0 HB3 GLU A 69 17.542 13.643 4.356 1.00 71.11 H new ATOM 0 HG2 GLU A 69 16.243 15.209 2.697 1.00 20.52 H new ATOM 0 HG3 GLU A 69 17.121 14.343 1.452 1.00 20.52 H new ATOM 1051 N LEU A 70 18.324 16.836 1.839 1.00 11.33 N ATOM 1052 CA LEU A 70 18.686 17.510 0.597 1.00 15.31 C ATOM 1053 C LEU A 70 18.399 19.006 0.686 1.00 71.24 C ATOM 1054 O LEU A 70 18.213 19.675 -0.331 1.00 61.11 O ATOM 1055 CB LEU A 70 17.919 16.901 -0.578 1.00 42.34 C ATOM 1056 CG LEU A 70 16.478 17.379 -0.760 1.00 42.41 C ATOM 1057 CD1 LEU A 70 16.024 17.172 -2.197 1.00 1.14 C ATOM 1058 CD2 LEU A 70 15.550 16.655 0.204 1.00 3.13 C ATOM 0 H LEU A 70 17.387 17.054 2.179 1.00 11.33 H new ATOM 0 HA LEU A 70 19.755 17.373 0.436 1.00 15.31 H new ATOM 0 HB2 LEU A 70 18.469 17.114 -1.494 1.00 42.34 H new ATOM 0 HB3 LEU A 70 17.909 15.818 -0.457 1.00 42.34 H new ATOM 0 HG LEU A 70 16.439 18.446 -0.538 1.00 42.41 H new ATOM 0 HD11 LEU A 70 14.996 17.518 -2.307 1.00 1.14 H new ATOM 0 HD12 LEU A 70 16.671 17.737 -2.868 1.00 1.14 H new ATOM 0 HD13 LEU A 70 16.079 16.112 -2.447 1.00 1.14 H new ATOM 0 HD21 LEU A 70 14.529 17.008 0.060 1.00 3.13 H new ATOM 0 HD22 LEU A 70 15.593 15.582 0.014 1.00 3.13 H new ATOM 0 HD23 LEU A 70 15.862 16.855 1.229 1.00 3.13 H new ATOM 1070 N LYS A 71 18.367 19.525 1.908 1.00 15.31 N ATOM 1071 CA LYS A 71 18.106 20.943 2.131 1.00 24.40 C ATOM 1072 C LYS A 71 18.648 21.783 0.979 1.00 23.01 C ATOM 1073 O LYS A 71 18.058 22.796 0.608 1.00 54.44 O ATOM 1074 CB LYS A 71 18.738 21.397 3.449 1.00 71.01 C ATOM 1075 CG LYS A 71 19.726 20.398 4.026 1.00 1.30 C ATOM 1076 CD LYS A 71 20.933 21.095 4.632 1.00 63.43 C ATOM 1077 CE LYS A 71 21.984 21.406 3.577 1.00 2.02 C ATOM 1078 NZ LYS A 71 22.724 22.661 3.885 1.00 52.30 N ATOM 0 H LYS A 71 18.519 18.985 2.760 1.00 15.31 H new ATOM 0 HA LYS A 71 17.027 21.085 2.185 1.00 24.40 H new ATOM 0 HB2 LYS A 71 19.247 22.348 3.290 1.00 71.01 H new ATOM 0 HB3 LYS A 71 17.948 21.576 4.178 1.00 71.01 H new ATOM 0 HG2 LYS A 71 19.232 19.795 4.788 1.00 1.30 H new ATOM 0 HG3 LYS A 71 20.054 19.715 3.242 1.00 1.30 H new ATOM 0 HD2 LYS A 71 20.616 22.019 5.115 1.00 63.43 H new ATOM 0 HD3 LYS A 71 21.369 20.463 5.406 1.00 63.43 H new ATOM 0 HE2 LYS A 71 22.688 20.576 3.510 1.00 2.02 H new ATOM 0 HE3 LYS A 71 21.505 21.497 2.602 1.00 2.02 H new ATOM 0 HZ1 LYS A 71 22.445 23.403 3.212 1.00 52.30 H new ATOM 0 HZ2 LYS A 71 22.498 22.968 4.853 1.00 52.30 H new ATOM 0 HZ3 LYS A 71 23.747 22.489 3.806 1.00 52.30 H new ATOM 1092 N GLU A 72 19.774 21.354 0.418 1.00 64.21 N ATOM 1093 CA GLU A 72 20.394 22.068 -0.692 1.00 62.33 C ATOM 1094 C GLU A 72 19.335 22.686 -1.600 1.00 41.32 C ATOM 1095 O GLU A 72 19.559 23.730 -2.213 1.00 5.43 O ATOM 1096 CB GLU A 72 21.286 21.123 -1.501 1.00 1.13 C ATOM 1097 CG GLU A 72 20.517 20.237 -2.466 1.00 51.34 C ATOM 1098 CD GLU A 72 21.390 19.174 -3.104 1.00 33.20 C ATOM 1099 OE1 GLU A 72 22.242 19.530 -3.944 1.00 53.03 O ATOM 1100 OE2 GLU A 72 21.220 17.985 -2.762 1.00 22.43 O ATOM 0 H GLU A 72 20.275 20.516 0.714 1.00 64.21 H new ATOM 0 HA GLU A 72 21.006 22.869 -0.278 1.00 62.33 H new ATOM 0 HB2 GLU A 72 22.011 21.713 -2.062 1.00 1.13 H new ATOM 0 HB3 GLU A 72 21.851 20.493 -0.814 1.00 1.13 H new ATOM 0 HG2 GLU A 72 19.695 19.756 -1.936 1.00 51.34 H new ATOM 0 HG3 GLU A 72 20.074 20.855 -3.247 1.00 51.34 H new ATOM 1107 N VAL A 73 18.180 22.034 -1.682 1.00 70.23 N ATOM 1108 CA VAL A 73 17.085 22.519 -2.514 1.00 63.24 C ATOM 1109 C VAL A 73 16.349 23.669 -1.838 1.00 12.33 C ATOM 1110 O VAL A 73 16.090 24.702 -2.455 1.00 12.24 O ATOM 1111 CB VAL A 73 16.080 21.395 -2.830 1.00 42.33 C ATOM 1112 CG1 VAL A 73 14.940 21.924 -3.687 1.00 42.04 C ATOM 1113 CG2 VAL A 73 16.780 20.233 -3.518 1.00 30.43 C ATOM 0 H VAL A 73 17.978 21.168 -1.182 1.00 70.23 H new ATOM 0 HA VAL A 73 17.528 22.873 -3.445 1.00 63.24 H new ATOM 0 HB VAL A 73 15.660 21.032 -1.892 1.00 42.33 H new ATOM 0 HG11 VAL A 73 14.240 21.116 -3.900 1.00 42.04 H new ATOM 0 HG12 VAL A 73 14.423 22.721 -3.153 1.00 42.04 H new ATOM 0 HG13 VAL A 73 15.339 22.315 -4.623 1.00 42.04 H new ATOM 0 HG21 VAL A 73 16.055 19.448 -3.734 1.00 30.43 H new ATOM 0 HG22 VAL A 73 17.229 20.579 -4.449 1.00 30.43 H new ATOM 0 HG23 VAL A 73 17.558 19.839 -2.865 1.00 30.43 H new ATOM 1123 N ALA A 74 16.014 23.483 -0.565 1.00 42.40 N ATOM 1124 CA ALA A 74 15.310 24.507 0.197 1.00 75.11 C ATOM 1125 C ALA A 74 16.148 25.775 0.319 1.00 32.24 C ATOM 1126 O ALA A 74 15.613 26.883 0.338 1.00 45.03 O ATOM 1127 CB ALA A 74 14.943 23.979 1.576 1.00 54.20 C ATOM 0 H ALA A 74 16.219 22.633 -0.040 1.00 42.40 H new ATOM 0 HA ALA A 74 14.395 24.759 -0.339 1.00 75.11 H new ATOM 0 HB1 ALA A 74 14.418 24.754 2.134 1.00 54.20 H new ATOM 0 HB2 ALA A 74 14.298 23.107 1.472 1.00 54.20 H new ATOM 0 HB3 ALA A 74 15.850 23.698 2.111 1.00 54.20 H new ATOM 1133 N GLU A 75 17.463 25.603 0.404 1.00 44.25 N ATOM 1134 CA GLU A 75 18.374 26.735 0.526 1.00 44.10 C ATOM 1135 C GLU A 75 18.339 27.600 -0.731 1.00 1.35 C ATOM 1136 O GLU A 75 18.652 28.790 -0.688 1.00 54.40 O ATOM 1137 CB GLU A 75 19.801 26.245 0.781 1.00 62.42 C ATOM 1138 CG GLU A 75 19.883 25.102 1.779 1.00 11.01 C ATOM 1139 CD GLU A 75 20.803 25.410 2.944 1.00 22.02 C ATOM 1140 OE1 GLU A 75 22.037 25.364 2.753 1.00 14.23 O ATOM 1141 OE2 GLU A 75 20.291 25.696 4.046 1.00 13.23 O ATOM 0 H GLU A 75 17.921 24.692 0.391 1.00 44.25 H new ATOM 0 HA GLU A 75 18.049 27.340 1.372 1.00 44.10 H new ATOM 0 HB2 GLU A 75 20.240 25.924 -0.164 1.00 62.42 H new ATOM 0 HB3 GLU A 75 20.403 27.078 1.145 1.00 62.42 H new ATOM 0 HG2 GLU A 75 18.885 24.883 2.157 1.00 11.01 H new ATOM 0 HG3 GLU A 75 20.235 24.205 1.270 1.00 11.01 H new ATOM 1148 N LYS A 76 17.957 26.993 -1.849 1.00 51.30 N ATOM 1149 CA LYS A 76 17.879 27.706 -3.119 1.00 23.03 C ATOM 1150 C LYS A 76 16.603 28.537 -3.199 1.00 10.41 C ATOM 1151 O LYS A 76 16.575 29.590 -3.838 1.00 23.35 O ATOM 1152 CB LYS A 76 17.931 26.717 -4.286 1.00 11.51 C ATOM 1153 CG LYS A 76 16.563 26.355 -4.837 1.00 53.31 C ATOM 1154 CD LYS A 76 16.571 24.985 -5.494 1.00 31.15 C ATOM 1155 CE LYS A 76 16.393 25.088 -7.001 1.00 20.24 C ATOM 1156 NZ LYS A 76 16.558 23.768 -7.670 1.00 65.10 N ATOM 0 H LYS A 76 17.696 26.008 -1.902 1.00 51.30 H new ATOM 0 HA LYS A 76 18.734 28.379 -3.183 1.00 23.03 H new ATOM 0 HB2 LYS A 76 18.535 27.144 -5.087 1.00 11.51 H new ATOM 0 HB3 LYS A 76 18.434 25.807 -3.958 1.00 11.51 H new ATOM 0 HG2 LYS A 76 15.830 26.368 -4.031 1.00 53.31 H new ATOM 0 HG3 LYS A 76 16.252 27.106 -5.563 1.00 53.31 H new ATOM 0 HD2 LYS A 76 17.510 24.479 -5.271 1.00 31.15 H new ATOM 0 HD3 LYS A 76 15.772 24.374 -5.073 1.00 31.15 H new ATOM 0 HE2 LYS A 76 15.403 25.487 -7.223 1.00 20.24 H new ATOM 0 HE3 LYS A 76 17.119 25.793 -7.405 1.00 20.24 H new ATOM 0 HZ1 LYS A 76 16.932 23.910 -8.630 1.00 65.10 H new ATOM 0 HZ2 LYS A 76 17.221 23.182 -7.123 1.00 65.10 H new ATOM 0 HZ3 LYS A 76 15.637 23.289 -7.724 1.00 65.10 H new ATOM 1170 N TYR A 77 15.549 28.059 -2.546 1.00 43.54 N ATOM 1171 CA TYR A 77 14.270 28.758 -2.545 1.00 13.50 C ATOM 1172 C TYR A 77 14.108 29.595 -1.280 1.00 15.33 C ATOM 1173 O TYR A 77 13.275 30.499 -1.222 1.00 52.05 O ATOM 1174 CB TYR A 77 13.118 27.758 -2.659 1.00 42.23 C ATOM 1175 CG TYR A 77 13.151 26.939 -3.930 1.00 4.12 C ATOM 1176 CD1 TYR A 77 13.626 27.482 -5.118 1.00 35.24 C ATOM 1177 CD2 TYR A 77 12.710 25.622 -3.942 1.00 35.31 C ATOM 1178 CE1 TYR A 77 13.657 26.737 -6.281 1.00 11.33 C ATOM 1179 CE2 TYR A 77 12.739 24.869 -5.100 1.00 54.21 C ATOM 1180 CZ TYR A 77 13.213 25.432 -6.267 1.00 33.51 C ATOM 1181 OH TYR A 77 13.244 24.686 -7.423 1.00 53.12 O ATOM 0 H TYR A 77 15.556 27.191 -2.011 1.00 43.54 H new ATOM 0 HA TYR A 77 14.249 29.426 -3.406 1.00 13.50 H new ATOM 0 HB2 TYR A 77 13.146 27.085 -1.802 1.00 42.23 H new ATOM 0 HB3 TYR A 77 12.173 28.298 -2.609 1.00 42.23 H new ATOM 0 HD1 TYR A 77 13.977 28.503 -5.132 1.00 35.24 H new ATOM 0 HD2 TYR A 77 12.338 25.179 -3.030 1.00 35.31 H new ATOM 0 HE1 TYR A 77 14.027 27.175 -7.196 1.00 11.33 H new ATOM 0 HE2 TYR A 77 12.393 23.846 -5.092 1.00 54.21 H new ATOM 0 HH TYR A 77 12.898 23.787 -7.242 1.00 53.12 H new ATOM 1191 N ASN A 78 14.911 29.287 -0.267 1.00 62.21 N ATOM 1192 CA ASN A 78 14.858 30.010 0.998 1.00 21.45 C ATOM 1193 C ASN A 78 13.623 29.612 1.801 1.00 72.12 C ATOM 1194 O ASN A 78 12.680 30.392 1.937 1.00 60.30 O ATOM 1195 CB ASN A 78 14.853 31.519 0.748 1.00 71.02 C ATOM 1196 CG ASN A 78 15.190 32.313 1.995 1.00 54.41 C ATOM 1197 OD1 ASN A 78 14.417 33.170 2.426 1.00 25.21 O ATOM 1198 ND2 ASN A 78 16.348 32.032 2.581 1.00 53.14 N ATOM 0 H ASN A 78 15.606 28.541 -0.298 1.00 62.21 H new ATOM 0 HA ASN A 78 15.745 29.747 1.575 1.00 21.45 H new ATOM 0 HB2 ASN A 78 15.572 31.757 -0.036 1.00 71.02 H new ATOM 0 HB3 ASN A 78 13.871 31.821 0.383 1.00 71.02 H new ATOM 0 HD21 ASN A 78 16.628 32.534 3.423 1.00 53.14 H new ATOM 0 HD22 ASN A 78 16.957 31.314 2.189 1.00 53.14 H new ATOM 1246 N MET A 82 10.799 24.393 7.108 1.00 54.31 N ATOM 1247 CA MET A 82 9.383 24.207 7.406 1.00 63.42 C ATOM 1248 C MET A 82 8.667 23.531 6.241 1.00 61.22 C ATOM 1249 O MET A 82 9.213 23.383 5.147 1.00 32.01 O ATOM 1250 CB MET A 82 8.723 25.552 7.714 1.00 23.11 C ATOM 1251 CG MET A 82 9.718 26.671 7.977 1.00 20.33 C ATOM 1252 SD MET A 82 9.572 28.023 6.793 1.00 23.41 S ATOM 1253 CE MET A 82 9.573 27.119 5.246 1.00 12.34 C ATOM 0 HA MET A 82 9.303 23.563 8.282 1.00 63.42 H new ATOM 0 HB2 MET A 82 8.084 25.834 6.877 1.00 23.11 H new ATOM 0 HB3 MET A 82 8.077 25.439 8.584 1.00 23.11 H new ATOM 0 HG2 MET A 82 9.566 27.058 8.985 1.00 20.33 H new ATOM 0 HG3 MET A 82 10.730 26.268 7.940 1.00 20.33 H new ATOM 0 HE1 MET A 82 9.756 27.808 4.422 1.00 12.34 H new ATOM 0 HE2 MET A 82 10.357 26.362 5.267 1.00 12.34 H new ATOM 0 HE3 MET A 82 8.606 26.636 5.106 1.00 12.34 H new ATOM 1263 N PRO A 83 7.416 23.110 6.478 1.00 31.21 N ATOM 1264 CA PRO A 83 6.599 22.443 5.460 1.00 33.11 C ATOM 1265 C PRO A 83 6.172 23.392 4.346 1.00 45.35 C ATOM 1266 O PRO A 83 5.187 23.147 3.649 1.00 14.13 O ATOM 1267 CB PRO A 83 5.378 21.959 6.246 1.00 13.14 C ATOM 1268 CG PRO A 83 5.287 22.883 7.411 1.00 13.42 C ATOM 1269 CD PRO A 83 6.702 23.253 7.758 1.00 25.13 C ATOM 0 HA PRO A 83 7.145 21.644 4.959 1.00 33.11 H new ATOM 0 HB2 PRO A 83 4.474 21.999 5.638 1.00 13.14 H new ATOM 0 HB3 PRO A 83 5.500 20.925 6.569 1.00 13.14 H new ATOM 0 HG2 PRO A 83 4.702 23.768 7.162 1.00 13.42 H new ATOM 0 HG3 PRO A 83 4.792 22.401 8.254 1.00 13.42 H new ATOM 0 HD2 PRO A 83 6.768 24.270 8.144 1.00 25.13 H new ATOM 0 HD3 PRO A 83 7.113 22.595 8.523 1.00 25.13 H new ATOM 1277 N THR A 84 6.922 24.478 4.180 1.00 14.14 N ATOM 1278 CA THR A 84 6.621 25.465 3.151 1.00 70.22 C ATOM 1279 C THR A 84 6.281 24.791 1.826 1.00 14.24 C ATOM 1280 O THR A 84 7.054 23.983 1.312 1.00 4.24 O ATOM 1281 CB THR A 84 7.803 26.429 2.935 1.00 74.05 C ATOM 1282 OG1 THR A 84 7.563 27.660 3.626 1.00 43.03 O ATOM 1283 CG2 THR A 84 8.011 26.705 1.453 1.00 4.43 C ATOM 0 H THR A 84 7.742 24.696 4.746 1.00 14.14 H new ATOM 0 HA THR A 84 5.758 26.032 3.499 1.00 70.22 H new ATOM 0 HB THR A 84 8.704 25.960 3.331 1.00 74.05 H new ATOM 0 HG1 THR A 84 7.990 28.396 3.141 1.00 43.03 H new ATOM 0 HG21 THR A 84 8.851 27.388 1.324 1.00 4.43 H new ATOM 0 HG22 THR A 84 8.222 25.770 0.935 1.00 4.43 H new ATOM 0 HG23 THR A 84 7.110 27.155 1.037 1.00 4.43 H new ATOM 1291 N PHE A 85 5.118 25.129 1.278 1.00 64.04 N ATOM 1292 CA PHE A 85 4.675 24.556 0.012 1.00 43.01 C ATOM 1293 C PHE A 85 5.263 25.324 -1.168 1.00 42.22 C ATOM 1294 O PHE A 85 4.585 25.562 -2.169 1.00 22.12 O ATOM 1295 CB PHE A 85 3.147 24.565 -0.069 1.00 44.13 C ATOM 1296 CG PHE A 85 2.533 23.199 0.039 1.00 23.30 C ATOM 1297 CD1 PHE A 85 2.657 22.285 -0.995 1.00 65.12 C ATOM 1298 CD2 PHE A 85 1.832 22.828 1.175 1.00 23.21 C ATOM 1299 CE1 PHE A 85 2.093 21.027 -0.898 1.00 55.32 C ATOM 1300 CE2 PHE A 85 1.265 21.571 1.278 1.00 45.31 C ATOM 1301 CZ PHE A 85 1.397 20.670 0.240 1.00 32.41 C ATOM 0 H PHE A 85 4.466 25.796 1.690 1.00 64.04 H new ATOM 0 HA PHE A 85 5.028 23.526 -0.036 1.00 43.01 H new ATOM 0 HB2 PHE A 85 2.753 25.196 0.728 1.00 44.13 H new ATOM 0 HB3 PHE A 85 2.844 25.017 -1.013 1.00 44.13 H new ATOM 0 HD1 PHE A 85 3.201 22.559 -1.887 1.00 65.12 H new ATOM 0 HD2 PHE A 85 1.727 23.529 1.990 1.00 23.21 H new ATOM 0 HE1 PHE A 85 2.196 20.324 -1.711 1.00 55.32 H new ATOM 0 HE2 PHE A 85 0.720 21.295 2.168 1.00 45.31 H new ATOM 0 HZ PHE A 85 0.956 19.687 0.318 1.00 32.41 H new ATOM 1311 N LEU A 86 6.528 25.710 -1.044 1.00 1.43 N ATOM 1312 CA LEU A 86 7.209 26.453 -2.099 1.00 72.51 C ATOM 1313 C LEU A 86 6.689 26.045 -3.474 1.00 31.21 C ATOM 1314 O LEU A 86 6.374 24.878 -3.709 1.00 62.02 O ATOM 1315 CB LEU A 86 8.719 26.218 -2.022 1.00 55.22 C ATOM 1316 CG LEU A 86 9.602 27.437 -2.293 1.00 74.35 C ATOM 1317 CD1 LEU A 86 8.995 28.303 -3.387 1.00 21.34 C ATOM 1318 CD2 LEU A 86 9.801 28.245 -1.020 1.00 23.24 C ATOM 0 H LEU A 86 7.103 25.521 -0.223 1.00 1.43 H new ATOM 0 HA LEU A 86 7.005 27.514 -1.953 1.00 72.51 H new ATOM 0 HB2 LEU A 86 8.957 25.835 -1.030 1.00 55.22 H new ATOM 0 HB3 LEU A 86 8.982 25.438 -2.736 1.00 55.22 H new ATOM 0 HG LEU A 86 10.577 27.087 -2.633 1.00 74.35 H new ATOM 0 HD11 LEU A 86 9.637 29.166 -3.566 1.00 21.34 H new ATOM 0 HD12 LEU A 86 8.905 27.721 -4.304 1.00 21.34 H new ATOM 0 HD13 LEU A 86 8.008 28.644 -3.075 1.00 21.34 H new ATOM 0 HD21 LEU A 86 10.432 29.108 -1.232 1.00 23.24 H new ATOM 0 HD22 LEU A 86 8.834 28.584 -0.650 1.00 23.24 H new ATOM 0 HD23 LEU A 86 10.280 27.622 -0.265 1.00 23.24 H new ATOM 1330 N PHE A 87 6.603 27.014 -4.380 1.00 21.45 N ATOM 1331 CA PHE A 87 6.123 26.755 -5.732 1.00 14.41 C ATOM 1332 C PHE A 87 7.183 27.123 -6.765 1.00 42.34 C ATOM 1333 O PHE A 87 8.093 27.904 -6.485 1.00 43.03 O ATOM 1334 CB PHE A 87 4.839 27.544 -5.999 1.00 51.11 C ATOM 1335 CG PHE A 87 3.650 27.029 -5.240 1.00 32.13 C ATOM 1336 CD1 PHE A 87 3.601 27.119 -3.858 1.00 25.20 C ATOM 1337 CD2 PHE A 87 2.581 26.454 -5.908 1.00 14.12 C ATOM 1338 CE1 PHE A 87 2.509 26.646 -3.156 1.00 74.01 C ATOM 1339 CE2 PHE A 87 1.485 25.980 -5.211 1.00 51.15 C ATOM 1340 CZ PHE A 87 1.449 26.075 -3.834 1.00 24.11 C ATOM 0 H PHE A 87 6.859 27.985 -4.202 1.00 21.45 H new ATOM 0 HA PHE A 87 5.912 25.689 -5.818 1.00 14.41 H new ATOM 0 HB2 PHE A 87 5.003 28.589 -5.736 1.00 51.11 H new ATOM 0 HB3 PHE A 87 4.619 27.515 -7.066 1.00 51.11 H new ATOM 0 HD1 PHE A 87 4.427 27.564 -3.323 1.00 25.20 H new ATOM 0 HD2 PHE A 87 2.604 26.375 -6.985 1.00 14.12 H new ATOM 0 HE1 PHE A 87 2.484 26.722 -2.079 1.00 74.01 H new ATOM 0 HE2 PHE A 87 0.657 25.536 -5.744 1.00 51.15 H new ATOM 0 HZ PHE A 87 0.594 25.704 -3.288 1.00 24.11 H new ATOM 1350 N ILE A 88 7.059 26.555 -7.960 1.00 31.21 N ATOM 1351 CA ILE A 88 8.006 26.823 -9.035 1.00 73.12 C ATOM 1352 C ILE A 88 7.305 26.857 -10.389 1.00 72.11 C ATOM 1353 O ILE A 88 7.414 25.920 -11.181 1.00 14.40 O ATOM 1354 CB ILE A 88 9.125 25.766 -9.076 1.00 4.22 C ATOM 1355 CG1 ILE A 88 9.664 25.508 -7.667 1.00 44.23 C ATOM 1356 CG2 ILE A 88 10.245 26.216 -10.003 1.00 74.21 C ATOM 1357 CD1 ILE A 88 10.651 26.554 -7.197 1.00 15.33 C ATOM 0 H ILE A 88 6.312 25.906 -8.208 1.00 31.21 H new ATOM 0 HA ILE A 88 8.446 27.799 -8.831 1.00 73.12 H new ATOM 0 HB ILE A 88 8.711 24.835 -9.463 1.00 4.22 H new ATOM 0 HG12 ILE A 88 8.828 25.469 -6.968 1.00 44.23 H new ATOM 0 HG13 ILE A 88 10.145 24.530 -7.644 1.00 44.23 H new ATOM 0 HG21 ILE A 88 11.029 25.458 -10.021 1.00 74.21 H new ATOM 0 HG22 ILE A 88 9.851 26.355 -11.010 1.00 74.21 H new ATOM 0 HG23 ILE A 88 10.659 27.158 -9.643 1.00 74.21 H new ATOM 0 HD11 ILE A 88 10.991 26.307 -6.191 1.00 15.33 H new ATOM 0 HD12 ILE A 88 11.505 26.578 -7.873 1.00 15.33 H new ATOM 0 HD13 ILE A 88 10.168 27.531 -7.187 1.00 15.33 H new ATOM 1369 N LYS A 89 6.586 27.944 -10.650 1.00 22.41 N ATOM 1370 CA LYS A 89 5.869 28.103 -11.909 1.00 41.24 C ATOM 1371 C LYS A 89 6.825 28.483 -13.036 1.00 22.54 C ATOM 1372 O LYS A 89 7.510 29.503 -12.964 1.00 2.02 O ATOM 1373 CB LYS A 89 4.781 29.170 -11.769 1.00 11.02 C ATOM 1374 CG LYS A 89 4.285 29.712 -13.098 1.00 72.43 C ATOM 1375 CD LYS A 89 2.774 29.874 -13.105 1.00 70.14 C ATOM 1376 CE LYS A 89 2.291 30.645 -11.887 1.00 14.50 C ATOM 1377 NZ LYS A 89 1.674 31.947 -12.264 1.00 14.42 N ATOM 0 H LYS A 89 6.485 28.728 -10.005 1.00 22.41 H new ATOM 0 HA LYS A 89 5.404 27.148 -12.156 1.00 41.24 H new ATOM 0 HB2 LYS A 89 3.938 28.748 -11.221 1.00 11.02 H new ATOM 0 HB3 LYS A 89 5.168 29.995 -11.172 1.00 11.02 H new ATOM 0 HG2 LYS A 89 4.756 30.674 -13.298 1.00 72.43 H new ATOM 0 HG3 LYS A 89 4.583 29.038 -13.901 1.00 72.43 H new ATOM 0 HD2 LYS A 89 2.467 30.395 -14.012 1.00 70.14 H new ATOM 0 HD3 LYS A 89 2.302 28.892 -13.126 1.00 70.14 H new ATOM 0 HE2 LYS A 89 1.564 30.043 -11.341 1.00 14.50 H new ATOM 0 HE3 LYS A 89 3.129 30.822 -11.213 1.00 14.50 H new ATOM 0 HZ1 LYS A 89 1.357 32.442 -11.406 1.00 14.42 H new ATOM 0 HZ2 LYS A 89 2.375 32.532 -12.763 1.00 14.42 H new ATOM 0 HZ3 LYS A 89 0.858 31.777 -12.887 1.00 14.42 H new ATOM 1391 N ASP A 90 6.866 27.656 -14.075 1.00 35.02 N ATOM 1392 CA ASP A 90 7.736 27.906 -15.218 1.00 11.43 C ATOM 1393 C ASP A 90 9.145 27.386 -14.952 1.00 70.41 C ATOM 1394 O ASP A 90 9.967 27.298 -15.863 1.00 4.22 O ATOM 1395 CB ASP A 90 7.783 29.403 -15.532 1.00 73.51 C ATOM 1396 CG ASP A 90 8.078 29.678 -16.993 1.00 52.14 C ATOM 1397 OD1 ASP A 90 7.183 29.447 -17.833 1.00 12.02 O ATOM 1398 OD2 ASP A 90 9.204 30.124 -17.298 1.00 22.12 O ATOM 0 H ASP A 90 6.307 26.806 -14.149 1.00 35.02 H new ATOM 0 HA ASP A 90 7.328 27.374 -16.077 1.00 11.43 H new ATOM 0 HB2 ASP A 90 6.829 29.858 -15.265 1.00 73.51 H new ATOM 0 HB3 ASP A 90 8.546 29.877 -14.915 1.00 73.51 H new ATOM 1403 N GLY A 91 9.417 27.042 -13.697 1.00 33.43 N ATOM 1404 CA GLY A 91 10.727 26.535 -13.333 1.00 42.14 C ATOM 1405 C GLY A 91 11.576 27.575 -12.630 1.00 2.21 C ATOM 1406 O GLY A 91 12.771 27.695 -12.897 1.00 64.24 O ATOM 0 H GLY A 91 8.753 27.105 -12.925 1.00 33.43 H new ATOM 0 HA2 GLY A 91 10.610 25.667 -12.684 1.00 42.14 H new ATOM 0 HA3 GLY A 91 11.244 26.195 -14.230 1.00 42.14 H new ATOM 1410 N ALA A 92 10.957 28.331 -11.729 1.00 23.13 N ATOM 1411 CA ALA A 92 11.664 29.366 -10.985 1.00 22.04 C ATOM 1412 C ALA A 92 11.147 29.463 -9.553 1.00 65.12 C ATOM 1413 O ALA A 92 11.676 28.817 -8.649 1.00 14.44 O ATOM 1414 CB ALA A 92 11.529 30.708 -11.689 1.00 33.12 C ATOM 0 H ALA A 92 9.967 28.246 -11.497 1.00 23.13 H new ATOM 0 HA ALA A 92 12.719 29.094 -10.945 1.00 22.04 H new ATOM 0 HB1 ALA A 92 12.062 31.471 -11.122 1.00 33.12 H new ATOM 0 HB2 ALA A 92 11.953 30.638 -12.691 1.00 33.12 H new ATOM 0 HB3 ALA A 92 10.475 30.978 -11.759 1.00 33.12 H new ATOM 1420 N GLU A 93 10.113 30.274 -9.356 1.00 52.00 N ATOM 1421 CA GLU A 93 9.527 30.456 -8.033 1.00 73.32 C ATOM 1422 C GLU A 93 8.296 31.355 -8.102 1.00 40.33 C ATOM 1423 O GLU A 93 8.410 32.570 -8.263 1.00 63.01 O ATOM 1424 CB GLU A 93 10.556 31.054 -7.073 1.00 3.33 C ATOM 1425 CG GLU A 93 10.270 30.756 -5.611 1.00 24.35 C ATOM 1426 CD GLU A 93 11.512 30.838 -4.745 1.00 24.24 C ATOM 1427 OE1 GLU A 93 12.572 31.247 -5.263 1.00 51.21 O ATOM 1428 OE2 GLU A 93 11.424 30.493 -3.548 1.00 21.45 O ATOM 0 H GLU A 93 9.664 30.815 -10.095 1.00 52.00 H new ATOM 0 HA GLU A 93 9.221 29.478 -7.662 1.00 73.32 H new ATOM 0 HB2 GLU A 93 11.544 30.669 -7.327 1.00 3.33 H new ATOM 0 HB3 GLU A 93 10.588 32.134 -7.215 1.00 3.33 H new ATOM 0 HG2 GLU A 93 9.525 31.460 -5.239 1.00 24.35 H new ATOM 0 HG3 GLU A 93 9.837 29.759 -5.525 1.00 24.35 H new ATOM 1435 N ALA A 94 7.120 30.749 -7.980 1.00 54.12 N ATOM 1436 CA ALA A 94 5.868 31.494 -8.027 1.00 52.31 C ATOM 1437 C ALA A 94 5.478 32.000 -6.642 1.00 52.25 C ATOM 1438 O ALA A 94 4.885 33.071 -6.506 1.00 63.25 O ATOM 1439 CB ALA A 94 4.759 30.628 -8.606 1.00 62.21 C ATOM 0 H ALA A 94 7.008 29.744 -7.848 1.00 54.12 H new ATOM 0 HA ALA A 94 6.013 32.359 -8.674 1.00 52.31 H new ATOM 0 HB1 ALA A 94 3.830 31.198 -8.635 1.00 62.21 H new ATOM 0 HB2 ALA A 94 5.028 30.320 -9.617 1.00 62.21 H new ATOM 0 HB3 ALA A 94 4.624 29.745 -7.982 1.00 62.21 H new ATOM 1445 N ASP A 95 5.813 31.224 -5.618 1.00 61.21 N ATOM 1446 CA ASP A 95 5.498 31.594 -4.243 1.00 60.21 C ATOM 1447 C ASP A 95 5.497 30.367 -3.337 1.00 30.42 C ATOM 1448 O ASP A 95 5.767 29.251 -3.783 1.00 41.41 O ATOM 1449 CB ASP A 95 4.139 32.292 -4.179 1.00 34.21 C ATOM 1450 CG ASP A 95 4.266 33.800 -4.091 1.00 72.11 C ATOM 1451 OD1 ASP A 95 5.290 34.279 -3.562 1.00 65.32 O ATOM 1452 OD2 ASP A 95 3.340 34.501 -4.550 1.00 40.54 O ATOM 0 H ASP A 95 6.303 30.334 -5.714 1.00 61.21 H new ATOM 0 HA ASP A 95 6.268 32.282 -3.892 1.00 60.21 H new ATOM 0 HB2 ASP A 95 3.558 32.030 -5.063 1.00 34.21 H new ATOM 0 HB3 ASP A 95 3.586 31.926 -3.314 1.00 34.21 H new ATOM 1457 N LYS A 96 5.192 30.580 -2.061 1.00 64.22 N ATOM 1458 CA LYS A 96 5.156 29.492 -1.091 1.00 14.33 C ATOM 1459 C LYS A 96 3.900 29.574 -0.229 1.00 13.20 C ATOM 1460 O LYS A 96 3.067 30.463 -0.410 1.00 5.11 O ATOM 1461 CB LYS A 96 6.401 29.532 -0.202 1.00 14.44 C ATOM 1462 CG LYS A 96 6.503 30.789 0.645 1.00 43.43 C ATOM 1463 CD LYS A 96 7.482 31.786 0.046 1.00 12.13 C ATOM 1464 CE LYS A 96 8.897 31.549 0.551 1.00 41.31 C ATOM 1465 NZ LYS A 96 9.270 32.509 1.627 1.00 61.02 N ATOM 0 H LYS A 96 4.966 31.497 -1.675 1.00 64.22 H new ATOM 0 HA LYS A 96 5.139 28.550 -1.639 1.00 14.33 H new ATOM 0 HB2 LYS A 96 6.397 28.661 0.454 1.00 14.44 H new ATOM 0 HB3 LYS A 96 7.288 29.454 -0.830 1.00 14.44 H new ATOM 0 HG2 LYS A 96 5.520 31.251 0.733 1.00 43.43 H new ATOM 0 HG3 LYS A 96 6.822 30.525 1.653 1.00 43.43 H new ATOM 0 HD2 LYS A 96 7.464 31.707 -1.041 1.00 12.13 H new ATOM 0 HD3 LYS A 96 7.170 32.800 0.297 1.00 12.13 H new ATOM 0 HE2 LYS A 96 8.982 30.530 0.928 1.00 41.31 H new ATOM 0 HE3 LYS A 96 9.599 31.642 -0.278 1.00 41.31 H new ATOM 0 HZ1 LYS A 96 10.241 32.315 1.944 1.00 61.02 H new ATOM 0 HZ2 LYS A 96 9.214 33.481 1.260 1.00 61.02 H new ATOM 0 HZ3 LYS A 96 8.616 32.403 2.429 1.00 61.02 H new ATOM 1479 N VAL A 97 3.770 28.642 0.710 1.00 53.02 N ATOM 1480 CA VAL A 97 2.617 28.611 1.601 1.00 34.44 C ATOM 1481 C VAL A 97 2.967 27.950 2.930 1.00 72.43 C ATOM 1482 O VAL A 97 3.501 28.592 3.834 1.00 40.33 O ATOM 1483 CB VAL A 97 1.433 27.859 0.963 1.00 45.13 C ATOM 1484 CG1 VAL A 97 0.373 27.547 2.007 1.00 34.11 C ATOM 1485 CG2 VAL A 97 0.844 28.669 -0.182 1.00 62.13 C ATOM 0 H VAL A 97 4.449 27.899 0.873 1.00 53.02 H new ATOM 0 HA VAL A 97 2.327 29.647 1.778 1.00 34.44 H new ATOM 0 HB VAL A 97 1.799 26.915 0.560 1.00 45.13 H new ATOM 0 HG11 VAL A 97 -0.455 27.016 1.537 1.00 34.11 H new ATOM 0 HG12 VAL A 97 0.806 26.925 2.790 1.00 34.11 H new ATOM 0 HG13 VAL A 97 0.007 28.477 2.443 1.00 34.11 H new ATOM 0 HG21 VAL A 97 0.009 28.124 -0.622 1.00 62.13 H new ATOM 0 HG22 VAL A 97 0.492 29.629 0.195 1.00 62.13 H new ATOM 0 HG23 VAL A 97 1.608 28.835 -0.941 1.00 62.13 H new ATOM 1495 N VAL A 98 2.663 26.660 3.041 1.00 12.33 N ATOM 1496 CA VAL A 98 2.947 25.910 4.259 1.00 52.41 C ATOM 1497 C VAL A 98 2.145 24.614 4.306 1.00 42.52 C ATOM 1498 O VAL A 98 0.936 24.611 4.077 1.00 45.32 O ATOM 1499 CB VAL A 98 2.632 26.742 5.517 1.00 72.14 C ATOM 1500 CG1 VAL A 98 1.952 25.880 6.570 1.00 41.50 C ATOM 1501 CG2 VAL A 98 3.901 27.373 6.069 1.00 31.45 C ATOM 0 H VAL A 98 2.220 26.113 2.302 1.00 12.33 H new ATOM 0 HA VAL A 98 4.011 25.675 4.245 1.00 52.41 H new ATOM 0 HB VAL A 98 1.947 27.543 5.241 1.00 72.14 H new ATOM 0 HG11 VAL A 98 1.737 26.484 7.451 1.00 41.50 H new ATOM 0 HG12 VAL A 98 1.021 25.481 6.168 1.00 41.50 H new ATOM 0 HG13 VAL A 98 2.610 25.056 6.846 1.00 41.50 H new ATOM 0 HG21 VAL A 98 3.660 27.957 6.957 1.00 31.45 H new ATOM 0 HG22 VAL A 98 4.612 26.590 6.331 1.00 31.45 H new ATOM 0 HG23 VAL A 98 4.341 28.025 5.314 1.00 31.45 H new ATOM 1511 N GLY A 99 2.828 23.513 4.605 1.00 15.22 N ATOM 1512 CA GLY A 99 2.163 22.225 4.677 1.00 13.23 C ATOM 1513 C GLY A 99 1.448 22.015 5.997 1.00 33.02 C ATOM 1514 O GLY A 99 1.530 20.940 6.591 1.00 3.53 O ATOM 0 H GLY A 99 3.829 23.490 4.799 1.00 15.22 H new ATOM 0 HA2 GLY A 99 1.445 22.144 3.861 1.00 13.23 H new ATOM 0 HA3 GLY A 99 2.897 21.432 4.535 1.00 13.23 H new ATOM 1518 N ALA A 100 0.745 23.044 6.458 1.00 13.41 N ATOM 1519 CA ALA A 100 0.012 22.967 7.716 1.00 42.31 C ATOM 1520 C ALA A 100 -1.240 23.837 7.676 1.00 22.13 C ATOM 1521 O ALA A 100 -1.875 24.074 8.704 1.00 41.21 O ATOM 1522 CB ALA A 100 0.908 23.381 8.874 1.00 32.44 C ATOM 0 H ALA A 100 0.667 23.941 5.979 1.00 13.41 H new ATOM 0 HA ALA A 100 -0.301 21.933 7.864 1.00 42.31 H new ATOM 0 HB1 ALA A 100 0.348 23.319 9.807 1.00 32.44 H new ATOM 0 HB2 ALA A 100 1.770 22.716 8.923 1.00 32.44 H new ATOM 0 HB3 ALA A 100 1.248 24.405 8.722 1.00 32.44 H new ATOM 1528 N ARG A 101 -1.589 24.310 6.484 1.00 24.04 N ATOM 1529 CA ARG A 101 -2.764 25.155 6.312 1.00 41.21 C ATOM 1530 C ARG A 101 -3.707 24.568 5.266 1.00 40.22 C ATOM 1531 O ARG A 101 -3.366 24.480 4.086 1.00 1.11 O ATOM 1532 CB ARG A 101 -2.346 26.569 5.902 1.00 72.43 C ATOM 1533 CG ARG A 101 -2.135 27.507 7.079 1.00 51.05 C ATOM 1534 CD ARG A 101 -0.860 27.172 7.836 1.00 1.23 C ATOM 1535 NE ARG A 101 -0.677 28.028 9.006 1.00 73.24 N ATOM 1536 CZ ARG A 101 -0.178 29.257 8.946 1.00 43.21 C ATOM 1537 NH1 ARG A 101 0.187 29.772 7.780 1.00 51.31 N ATOM 1538 NH2 ARG A 101 -0.042 29.974 10.054 1.00 13.22 N ATOM 0 H ARG A 101 -1.075 24.122 5.623 1.00 24.04 H new ATOM 0 HA ARG A 101 -3.290 25.201 7.265 1.00 41.21 H new ATOM 0 HB2 ARG A 101 -1.424 26.513 5.323 1.00 72.43 H new ATOM 0 HB3 ARG A 101 -3.109 26.989 5.246 1.00 72.43 H new ATOM 0 HG2 ARG A 101 -2.088 28.536 6.722 1.00 51.05 H new ATOM 0 HG3 ARG A 101 -2.988 27.443 7.754 1.00 51.05 H new ATOM 0 HD2 ARG A 101 -0.889 26.129 8.151 1.00 1.23 H new ATOM 0 HD3 ARG A 101 -0.004 27.280 7.170 1.00 1.23 H new ATOM 0 HE ARG A 101 -0.947 27.661 9.919 1.00 73.24 H new ATOM 0 HH11 ARG A 101 0.085 29.224 6.926 1.00 51.31 H new ATOM 0 HH12 ARG A 101 0.570 30.716 7.737 1.00 51.31 H new ATOM 0 HH21 ARG A 101 -0.321 29.581 10.953 1.00 13.22 H new ATOM 0 HH22 ARG A 101 0.341 30.918 10.007 1.00 13.22 H new ATOM 1552 N LYS A 102 -4.895 24.167 5.706 1.00 4.12 N ATOM 1553 CA LYS A 102 -5.888 23.589 4.810 1.00 74.15 C ATOM 1554 C LYS A 102 -6.708 24.681 4.129 1.00 64.33 C ATOM 1555 O LYS A 102 -7.646 24.393 3.386 1.00 52.45 O ATOM 1556 CB LYS A 102 -6.816 22.647 5.581 1.00 5.45 C ATOM 1557 CG LYS A 102 -7.338 21.490 4.748 1.00 23.22 C ATOM 1558 CD LYS A 102 -8.612 21.864 4.011 1.00 75.12 C ATOM 1559 CE LYS A 102 -9.560 20.679 3.898 1.00 5.04 C ATOM 1560 NZ LYS A 102 -10.983 21.092 4.040 1.00 74.42 N ATOM 0 H LYS A 102 -5.193 24.232 6.679 1.00 4.12 H new ATOM 0 HA LYS A 102 -5.361 23.022 4.043 1.00 74.15 H new ATOM 0 HB2 LYS A 102 -6.281 22.250 6.444 1.00 5.45 H new ATOM 0 HB3 LYS A 102 -7.662 23.218 5.965 1.00 5.45 H new ATOM 0 HG2 LYS A 102 -6.577 21.185 4.029 1.00 23.22 H new ATOM 0 HG3 LYS A 102 -7.528 20.633 5.393 1.00 23.22 H new ATOM 0 HD2 LYS A 102 -9.110 22.681 4.534 1.00 75.12 H new ATOM 0 HD3 LYS A 102 -8.363 22.228 3.014 1.00 75.12 H new ATOM 0 HE2 LYS A 102 -9.418 20.191 2.934 1.00 5.04 H new ATOM 0 HE3 LYS A 102 -9.317 19.945 4.666 1.00 5.04 H new ATOM 0 HZ1 LYS A 102 -11.597 20.257 3.957 1.00 74.42 H new ATOM 0 HZ2 LYS A 102 -11.125 21.535 4.970 1.00 74.42 H new ATOM 0 HZ3 LYS A 102 -11.223 21.773 3.292 1.00 74.42 H new ATOM 1574 N ASP A 103 -6.346 25.933 4.386 1.00 21.31 N ATOM 1575 CA ASP A 103 -7.046 27.068 3.796 1.00 60.31 C ATOM 1576 C ASP A 103 -6.081 27.955 3.016 1.00 53.25 C ATOM 1577 O ASP A 103 -6.497 28.892 2.334 1.00 55.21 O ATOM 1578 CB ASP A 103 -7.744 27.885 4.884 1.00 53.33 C ATOM 1579 CG ASP A 103 -8.848 28.764 4.329 1.00 73.32 C ATOM 1580 OD1 ASP A 103 -8.835 29.034 3.109 1.00 13.55 O ATOM 1581 OD2 ASP A 103 -9.726 29.180 5.114 1.00 62.35 O ATOM 0 H ASP A 103 -5.572 26.188 4.999 1.00 21.31 H new ATOM 0 HA ASP A 103 -7.796 26.682 3.105 1.00 60.31 H new ATOM 0 HB2 ASP A 103 -8.162 27.209 5.630 1.00 53.33 H new ATOM 0 HB3 ASP A 103 -7.009 28.508 5.394 1.00 53.33 H new ATOM 1586 N ASP A 104 -4.792 27.654 3.121 1.00 2.31 N ATOM 1587 CA ASP A 104 -3.767 28.425 2.425 1.00 35.44 C ATOM 1588 C ASP A 104 -3.177 27.624 1.269 1.00 21.31 C ATOM 1589 O ASP A 104 -2.545 28.183 0.372 1.00 60.45 O ATOM 1590 CB ASP A 104 -2.659 28.834 3.397 1.00 54.22 C ATOM 1591 CG ASP A 104 -2.150 30.238 3.135 1.00 21.13 C ATOM 1592 OD1 ASP A 104 -2.859 31.010 2.457 1.00 55.30 O ATOM 1593 OD2 ASP A 104 -1.042 30.565 3.610 1.00 71.54 O ATOM 0 H ASP A 104 -4.431 26.882 3.681 1.00 2.31 H new ATOM 0 HA ASP A 104 -4.234 29.323 2.020 1.00 35.44 H new ATOM 0 HB2 ASP A 104 -3.034 28.771 4.419 1.00 54.22 H new ATOM 0 HB3 ASP A 104 -1.831 28.129 3.317 1.00 54.22 H new ATOM 1598 N LEU A 105 -3.386 26.312 1.297 1.00 5.14 N ATOM 1599 CA LEU A 105 -2.873 25.433 0.252 1.00 1.10 C ATOM 1600 C LEU A 105 -3.762 25.484 -0.986 1.00 61.14 C ATOM 1601 O LEU A 105 -3.397 26.081 -1.999 1.00 33.30 O ATOM 1602 CB LEU A 105 -2.779 23.996 0.768 1.00 64.05 C ATOM 1603 CG LEU A 105 -2.529 22.919 -0.289 1.00 33.11 C ATOM 1604 CD1 LEU A 105 -1.109 23.015 -0.824 1.00 60.20 C ATOM 1605 CD2 LEU A 105 -2.792 21.535 0.288 1.00 44.42 C ATOM 0 H LEU A 105 -3.907 25.834 2.032 1.00 5.14 H new ATOM 0 HA LEU A 105 -1.877 25.779 -0.024 1.00 1.10 H new ATOM 0 HB2 LEU A 105 -1.977 23.947 1.505 1.00 64.05 H new ATOM 0 HB3 LEU A 105 -3.706 23.757 1.290 1.00 64.05 H new ATOM 0 HG LEU A 105 -3.218 23.083 -1.117 1.00 33.11 H new ATOM 0 HD11 LEU A 105 -0.950 22.241 -1.575 1.00 60.20 H new ATOM 0 HD12 LEU A 105 -0.956 23.995 -1.275 1.00 60.20 H new ATOM 0 HD13 LEU A 105 -0.402 22.878 -0.006 1.00 60.20 H new ATOM 0 HD21 LEU A 105 -2.609 20.781 -0.478 1.00 44.42 H new ATOM 0 HD22 LEU A 105 -2.127 21.361 1.134 1.00 44.42 H new ATOM 0 HD23 LEU A 105 -3.828 21.470 0.621 1.00 44.42 H new ATOM 1617 N GLN A 106 -4.930 24.856 -0.896 1.00 63.45 N ATOM 1618 CA GLN A 106 -5.871 24.831 -2.010 1.00 30.13 C ATOM 1619 C GLN A 106 -6.107 26.236 -2.555 1.00 24.24 C ATOM 1620 O GLN A 106 -6.582 26.405 -3.677 1.00 1.04 O ATOM 1621 CB GLN A 106 -7.199 24.213 -1.569 1.00 21.23 C ATOM 1622 CG GLN A 106 -7.922 25.021 -0.503 1.00 71.14 C ATOM 1623 CD GLN A 106 -7.030 25.368 0.672 1.00 22.31 C ATOM 1624 OE1 GLN A 106 -6.894 26.535 1.040 1.00 62.10 O ATOM 1625 NE2 GLN A 106 -6.416 24.353 1.269 1.00 24.11 N ATOM 0 H GLN A 106 -5.247 24.358 -0.064 1.00 63.45 H new ATOM 0 HA GLN A 106 -5.440 24.221 -2.804 1.00 30.13 H new ATOM 0 HB2 GLN A 106 -7.849 24.110 -2.438 1.00 21.23 H new ATOM 0 HB3 GLN A 106 -7.014 23.208 -1.189 1.00 21.23 H new ATOM 0 HG2 GLN A 106 -8.305 25.940 -0.947 1.00 71.14 H new ATOM 0 HG3 GLN A 106 -8.783 24.456 -0.146 1.00 71.14 H new ATOM 0 HE21 GLN A 106 -6.557 23.401 0.931 1.00 24.11 H new ATOM 0 HE22 GLN A 106 -5.803 24.525 2.066 1.00 24.11 H new ATOM 1634 N ASN A 107 -5.771 27.240 -1.752 1.00 10.52 N ATOM 1635 CA ASN A 107 -5.947 28.631 -2.154 1.00 11.44 C ATOM 1636 C ASN A 107 -4.815 29.080 -3.073 1.00 21.44 C ATOM 1637 O ASN A 107 -5.012 29.911 -3.960 1.00 22.30 O ATOM 1638 CB ASN A 107 -6.007 29.536 -0.921 1.00 54.23 C ATOM 1639 CG ASN A 107 -5.641 30.973 -1.240 1.00 60.23 C ATOM 1640 OD1 ASN A 107 -5.979 31.489 -2.305 1.00 53.53 O ATOM 1641 ND2 ASN A 107 -4.945 31.625 -0.316 1.00 54.01 N ATOM 0 H ASN A 107 -5.376 27.117 -0.820 1.00 10.52 H new ATOM 0 HA ASN A 107 -6.887 28.709 -2.700 1.00 11.44 H new ATOM 0 HB2 ASN A 107 -7.012 29.505 -0.499 1.00 54.23 H new ATOM 0 HB3 ASN A 107 -5.329 29.152 -0.159 1.00 54.23 H new ATOM 0 HD21 ASN A 107 -4.669 32.594 -0.475 1.00 54.01 H new ATOM 0 HD22 ASN A 107 -4.687 31.157 0.553 1.00 54.01 H new ATOM 1648 N THR A 108 -3.627 28.523 -2.855 1.00 13.14 N ATOM 1649 CA THR A 108 -2.463 28.865 -3.662 1.00 11.11 C ATOM 1650 C THR A 108 -2.427 28.048 -4.948 1.00 63.12 C ATOM 1651 O THR A 108 -2.056 28.556 -6.007 1.00 13.01 O ATOM 1652 CB THR A 108 -1.153 28.636 -2.884 1.00 54.03 C ATOM 1653 OG1 THR A 108 -0.938 29.709 -1.961 1.00 23.01 O ATOM 1654 CG2 THR A 108 0.030 28.533 -3.835 1.00 54.12 C ATOM 0 H THR A 108 -3.447 27.833 -2.126 1.00 13.14 H new ATOM 0 HA THR A 108 -2.549 29.923 -3.909 1.00 11.11 H new ATOM 0 HB THR A 108 -1.241 27.698 -2.336 1.00 54.03 H new ATOM 0 HG1 THR A 108 -0.181 30.253 -2.263 1.00 23.01 H new ATOM 0 HG21 THR A 108 0.944 28.371 -3.263 1.00 54.12 H new ATOM 0 HG22 THR A 108 -0.123 27.697 -4.517 1.00 54.12 H new ATOM 0 HG23 THR A 108 0.119 29.457 -4.407 1.00 54.12 H new ATOM 1662 N ILE A 109 -2.814 26.781 -4.850 1.00 24.44 N ATOM 1663 CA ILE A 109 -2.827 25.894 -6.007 1.00 4.23 C ATOM 1664 C ILE A 109 -3.819 26.378 -7.059 1.00 30.24 C ATOM 1665 O ILE A 109 -3.676 26.083 -8.245 1.00 64.22 O ATOM 1666 CB ILE A 109 -3.183 24.451 -5.606 1.00 32.41 C ATOM 1667 CG1 ILE A 109 -1.976 23.763 -4.965 1.00 11.14 C ATOM 1668 CG2 ILE A 109 -3.663 23.667 -6.819 1.00 11.42 C ATOM 1669 CD1 ILE A 109 -1.837 24.043 -3.484 1.00 74.44 C ATOM 0 H ILE A 109 -3.123 26.345 -3.981 1.00 24.44 H new ATOM 0 HA ILE A 109 -1.821 25.907 -6.427 1.00 4.23 H new ATOM 0 HB ILE A 109 -3.990 24.482 -4.874 1.00 32.41 H new ATOM 0 HG12 ILE A 109 -2.058 22.687 -5.117 1.00 11.14 H new ATOM 0 HG13 ILE A 109 -1.069 24.088 -5.475 1.00 11.14 H new ATOM 0 HG21 ILE A 109 -3.911 22.649 -6.519 1.00 11.42 H new ATOM 0 HG22 ILE A 109 -4.548 24.148 -7.236 1.00 11.42 H new ATOM 0 HG23 ILE A 109 -2.875 23.642 -7.571 1.00 11.42 H new ATOM 0 HD11 ILE A 109 -0.961 23.524 -3.096 1.00 74.44 H new ATOM 0 HD12 ILE A 109 -1.723 25.115 -3.326 1.00 74.44 H new ATOM 0 HD13 ILE A 109 -2.727 23.692 -2.962 1.00 74.44 H new ATOM 1681 N VAL A 110 -4.826 27.124 -6.616 1.00 3.44 N ATOM 1682 CA VAL A 110 -5.841 27.652 -7.519 1.00 12.31 C ATOM 1683 C VAL A 110 -5.329 28.879 -8.265 1.00 63.23 C ATOM 1684 O VAL A 110 -5.739 29.149 -9.394 1.00 63.25 O ATOM 1685 CB VAL A 110 -7.128 28.028 -6.759 1.00 65.54 C ATOM 1686 CG1 VAL A 110 -7.721 26.804 -6.078 1.00 13.34 C ATOM 1687 CG2 VAL A 110 -6.847 29.128 -5.748 1.00 5.23 C ATOM 0 H VAL A 110 -4.960 27.376 -5.637 1.00 3.44 H new ATOM 0 HA VAL A 110 -6.068 26.863 -8.236 1.00 12.31 H new ATOM 0 HB VAL A 110 -7.857 28.404 -7.476 1.00 65.54 H new ATOM 0 HG11 VAL A 110 -8.629 27.088 -5.546 1.00 13.34 H new ATOM 0 HG12 VAL A 110 -7.960 26.050 -6.828 1.00 13.34 H new ATOM 0 HG13 VAL A 110 -6.999 26.395 -5.371 1.00 13.34 H new ATOM 0 HG21 VAL A 110 -7.767 29.381 -5.221 1.00 5.23 H new ATOM 0 HG22 VAL A 110 -6.101 28.782 -5.032 1.00 5.23 H new ATOM 0 HG23 VAL A 110 -6.471 30.011 -6.266 1.00 5.23 H new ATOM 1697 N LYS A 111 -4.429 29.619 -7.627 1.00 43.54 N ATOM 1698 CA LYS A 111 -3.857 30.818 -8.230 1.00 60.44 C ATOM 1699 C LYS A 111 -2.741 30.457 -9.205 1.00 62.43 C ATOM 1700 O LYS A 111 -2.482 31.183 -10.165 1.00 40.32 O ATOM 1701 CB LYS A 111 -3.318 31.752 -7.145 1.00 52.31 C ATOM 1702 CG LYS A 111 -1.812 31.672 -6.966 1.00 40.11 C ATOM 1703 CD LYS A 111 -1.404 31.977 -5.535 1.00 25.03 C ATOM 1704 CE LYS A 111 -0.955 33.422 -5.379 1.00 14.13 C ATOM 1705 NZ LYS A 111 -0.796 33.802 -3.948 1.00 14.23 N ATOM 0 H LYS A 111 -4.079 29.410 -6.692 1.00 43.54 H new ATOM 0 HA LYS A 111 -4.646 31.329 -8.781 1.00 60.44 H new ATOM 0 HB2 LYS A 111 -3.592 32.778 -7.392 1.00 52.31 H new ATOM 0 HB3 LYS A 111 -3.801 31.512 -6.198 1.00 52.31 H new ATOM 0 HG2 LYS A 111 -1.464 30.676 -7.240 1.00 40.11 H new ATOM 0 HG3 LYS A 111 -1.326 32.376 -7.642 1.00 40.11 H new ATOM 0 HD2 LYS A 111 -2.243 31.781 -4.867 1.00 25.03 H new ATOM 0 HD3 LYS A 111 -0.596 31.310 -5.236 1.00 25.03 H new ATOM 0 HE2 LYS A 111 -0.009 33.567 -5.900 1.00 14.13 H new ATOM 0 HE3 LYS A 111 -1.683 34.082 -5.851 1.00 14.13 H new ATOM 0 HZ1 LYS A 111 -0.489 34.794 -3.884 1.00 14.23 H new ATOM 0 HZ2 LYS A 111 -1.705 33.688 -3.456 1.00 14.23 H new ATOM 0 HZ3 LYS A 111 -0.083 33.190 -3.503 1.00 14.23 H new ATOM 1719 N HIS A 112 -2.083 29.329 -8.954 1.00 11.03 N ATOM 1720 CA HIS A 112 -0.996 28.871 -9.811 1.00 23.30 C ATOM 1721 C HIS A 112 -1.476 27.775 -10.758 1.00 43.45 C ATOM 1722 O HIS A 112 -1.213 27.821 -11.960 1.00 65.33 O ATOM 1723 CB HIS A 112 0.167 28.354 -8.963 1.00 42.33 C ATOM 1724 CG HIS A 112 0.625 29.326 -7.919 1.00 62.14 C ATOM 1725 ND1 HIS A 112 0.990 29.134 -6.630 1.00 53.31 N flip ATOM 1726 CD2 HIS A 112 0.748 30.679 -8.153 1.00 74.31 C flip ATOM 1727 CE1 HIS A 112 1.323 30.362 -6.114 1.00 43.31 C flip ATOM 1728 NE2 HIS A 112 1.169 31.277 -7.053 1.00 23.41 N flip ATOM 0 H HIS A 112 -2.284 28.716 -8.164 1.00 11.03 H new ATOM 0 HA HIS A 112 -0.654 29.718 -10.406 1.00 23.30 H new ATOM 0 HB2 HIS A 112 -0.133 27.426 -8.477 1.00 42.33 H new ATOM 0 HB3 HIS A 112 1.005 28.115 -9.618 1.00 42.33 H new ATOM 0 HD1 HIS A 112 1.013 28.243 -6.134 1.00 53.31 H new ATOM 0 HD2 HIS A 112 0.534 31.173 -9.089 1.00 74.31 H new ATOM 0 HE1 HIS A 112 1.657 30.549 -5.104 1.00 43.31 H new ATOM 1736 N VAL A 113 -2.181 26.791 -10.209 1.00 45.32 N ATOM 1737 CA VAL A 113 -2.697 25.684 -11.005 1.00 54.52 C ATOM 1738 C VAL A 113 -4.135 25.946 -11.441 1.00 63.55 C ATOM 1739 O VAL A 113 -4.571 25.475 -12.491 1.00 32.10 O ATOM 1740 CB VAL A 113 -2.642 24.358 -10.224 1.00 74.14 C ATOM 1741 CG1 VAL A 113 -2.772 23.175 -11.172 1.00 23.13 C ATOM 1742 CG2 VAL A 113 -1.356 24.268 -9.418 1.00 64.31 C ATOM 0 H VAL A 113 -2.408 26.738 -9.216 1.00 45.32 H new ATOM 0 HA VAL A 113 -2.061 25.604 -11.887 1.00 54.52 H new ATOM 0 HB VAL A 113 -3.481 24.330 -9.529 1.00 74.14 H new ATOM 0 HG11 VAL A 113 -2.731 22.246 -10.603 1.00 23.13 H new ATOM 0 HG12 VAL A 113 -3.723 23.235 -11.700 1.00 23.13 H new ATOM 0 HG13 VAL A 113 -1.955 23.195 -11.893 1.00 23.13 H new ATOM 0 HG21 VAL A 113 -1.334 23.325 -8.872 1.00 64.31 H new ATOM 0 HG22 VAL A 113 -0.500 24.318 -10.091 1.00 64.31 H new ATOM 0 HG23 VAL A 113 -1.311 25.097 -8.712 1.00 64.31 H new ATOM 1752 N GLY A 114 -4.867 26.700 -10.628 1.00 3.44 N ATOM 1753 CA GLY A 114 -6.248 27.012 -10.947 1.00 23.22 C ATOM 1754 C GLY A 114 -6.370 28.138 -11.954 1.00 73.10 C ATOM 1755 O GLY A 114 -7.458 28.412 -12.459 1.00 74.14 O ATOM 0 H GLY A 114 -4.528 27.101 -9.753 1.00 3.44 H new ATOM 0 HA2 GLY A 114 -6.737 26.121 -11.342 1.00 23.22 H new ATOM 0 HA3 GLY A 114 -6.776 27.287 -10.034 1.00 23.22 H new ATOM 1759 N ALA A 115 -5.252 28.794 -12.245 1.00 64.54 N ATOM 1760 CA ALA A 115 -5.238 29.896 -13.199 1.00 34.11 C ATOM 1761 C ALA A 115 -6.509 30.732 -13.089 1.00 72.44 C ATOM 1762 O ALA A 115 -7.064 31.172 -14.097 1.00 15.04 O ATOM 1763 CB ALA A 115 -5.073 29.366 -14.616 1.00 11.34 C ATOM 0 H ALA A 115 -4.343 28.581 -11.833 1.00 64.54 H new ATOM 0 HA ALA A 115 -4.390 30.538 -12.963 1.00 34.11 H new ATOM 0 HB1 ALA A 115 -5.064 30.200 -15.318 1.00 11.34 H new ATOM 0 HB2 ALA A 115 -4.134 28.818 -14.692 1.00 11.34 H new ATOM 0 HB3 ALA A 115 -5.902 28.700 -14.854 1.00 11.34 H new