USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 883 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 4 ASN : amide:sc= 0 X(o=0.79,f=0.49) USER MOD Set 1.2: A 5 THR OG1 : rot 17:sc= 0.785 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.436 (180deg=-0.47) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -166:sc= -0.0239 (180deg=-0.204) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl 147:sc= -0.587 (180deg=-3.44!) USER MOD Single : A 22 SER OG : rot 83:sc= 1.26 USER MOD Single : A 23 GLN :FLIP amide:sc= -0.504 F(o=-1.3!,f=-0.5) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 170:sc= 0.0834 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 32 THR OG1 : rot 5:sc= 0.0316 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 69:sc= 1.23 USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= -0.0513 (180deg=-0.36) USER MOD Single : A 42 CYS SG : rot -160:sc= -0.822 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -170:sc= -2.21! USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 54 HIS : no HE2:sc= 1.02 K(o=1,f=-5.6!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 67 THR OG1 : rot 180:sc=0.000823 USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00748) USER MOD Single : A 80 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.049) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0425 K(o=-0.043,f=-4.6!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -154:sc= -0.131 (180deg=-0.695) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.495 -20.717 15.841 1.00 0.00 N ATOM 2 CA MET A 1 6.448 -19.618 16.114 1.00 0.00 C ATOM 3 C MET A 1 6.013 -18.817 17.335 1.00 0.00 C ATOM 4 O MET A 1 6.339 -17.637 17.464 1.00 0.00 O ATOM 5 CB MET A 1 6.562 -18.696 14.895 1.00 0.00 C ATOM 6 CG MET A 1 7.123 -19.389 13.665 1.00 0.00 C ATOM 7 SD MET A 1 7.287 -18.282 12.253 1.00 0.00 S ATOM 8 CE MET A 1 7.890 -19.427 11.012 1.00 0.00 C ATOM 0 H1 MET A 1 5.782 -21.218 14.976 1.00 0.00 H new ATOM 0 H2 MET A 1 5.492 -21.381 16.641 1.00 0.00 H new ATOM 0 H3 MET A 1 4.540 -20.325 15.713 1.00 0.00 H new ATOM 0 HA MET A 1 7.424 -20.057 16.318 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.577 -18.294 14.659 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.199 -17.849 15.148 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.099 -19.811 13.905 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.473 -20.221 13.395 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.044 -18.897 10.072 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.834 -19.859 11.344 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.159 -20.222 10.865 1.00 0.00 H new ATOM 20 N THR A 2 5.284 -19.465 18.238 1.00 0.00 N ATOM 21 CA THR A 2 4.843 -18.826 19.467 1.00 0.00 C ATOM 22 C THR A 2 6.044 -18.459 20.341 1.00 0.00 C ATOM 23 O THR A 2 6.073 -17.399 20.971 1.00 0.00 O ATOM 24 CB THR A 2 3.912 -19.761 20.261 1.00 0.00 C ATOM 25 OG1 THR A 2 2.971 -20.384 19.376 1.00 0.00 O ATOM 26 CG2 THR A 2 3.162 -19.002 21.345 1.00 0.00 C ATOM 0 H THR A 2 4.987 -20.436 18.139 1.00 0.00 H new ATOM 0 HA THR A 2 4.300 -17.920 19.196 1.00 0.00 H new ATOM 0 HB THR A 2 4.529 -20.523 20.737 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.384 -20.978 19.888 1.00 0.00 H new ATOM 0 HG21 THR A 2 2.513 -19.689 21.888 1.00 0.00 H new ATOM 0 HG22 THR A 2 3.876 -18.555 22.036 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.559 -18.217 20.889 1.00 0.00 H new ATOM 34 N LYS A 3 7.034 -19.344 20.358 1.00 0.00 N ATOM 35 CA LYS A 3 8.226 -19.158 21.174 1.00 0.00 C ATOM 36 C LYS A 3 9.479 -19.169 20.310 1.00 0.00 C ATOM 37 O LYS A 3 10.497 -18.575 20.666 1.00 0.00 O ATOM 38 CB LYS A 3 8.325 -20.270 22.218 1.00 0.00 C ATOM 39 CG LYS A 3 7.138 -20.340 23.163 1.00 0.00 C ATOM 40 CD LYS A 3 7.247 -21.527 24.103 1.00 0.00 C ATOM 41 CE LYS A 3 6.080 -21.576 25.073 1.00 0.00 C ATOM 42 NZ LYS A 3 6.041 -20.385 25.962 1.00 0.00 N ATOM 0 H LYS A 3 7.033 -20.205 19.810 1.00 0.00 H new ATOM 0 HA LYS A 3 8.148 -18.192 21.672 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.425 -21.227 21.706 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.233 -20.125 22.803 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.078 -19.419 23.743 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.216 -20.414 22.586 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.279 -22.450 23.524 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.182 -21.467 24.660 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.147 -21.641 24.514 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.151 -22.479 25.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.389 -20.563 26.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.994 -20.199 26.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.713 -19.559 25.422 1.00 0.00 H new ATOM 56 N ASN A 4 9.403 -19.848 19.178 1.00 0.00 N ATOM 57 CA ASN A 4 10.562 -20.017 18.312 1.00 0.00 C ATOM 58 C ASN A 4 10.560 -19.023 17.156 1.00 0.00 C ATOM 59 O ASN A 4 9.582 -18.914 16.411 1.00 0.00 O ATOM 60 CB ASN A 4 10.625 -21.459 17.794 1.00 0.00 C ATOM 61 CG ASN A 4 11.665 -21.661 16.709 1.00 0.00 C ATOM 62 OD1 ASN A 4 12.852 -21.825 16.988 1.00 0.00 O ATOM 63 ND2 ASN A 4 11.211 -21.696 15.469 1.00 0.00 N ATOM 0 H ASN A 4 8.551 -20.292 18.835 1.00 0.00 H new ATOM 0 HA ASN A 4 11.454 -19.814 18.904 1.00 0.00 H new ATOM 0 HB2 ASN A 4 10.844 -22.128 18.627 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.646 -21.742 17.407 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.854 -21.865 14.695 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.218 -21.554 15.285 1.00 0.00 H new ATOM 70 N THR A 5 11.678 -18.307 17.030 1.00 0.00 N ATOM 71 CA THR A 5 11.912 -17.322 15.972 1.00 0.00 C ATOM 72 C THR A 5 10.795 -16.285 15.859 1.00 0.00 C ATOM 73 O THR A 5 9.882 -16.411 15.038 1.00 0.00 O ATOM 74 CB THR A 5 12.173 -17.978 14.591 1.00 0.00 C ATOM 75 OG1 THR A 5 11.126 -18.891 14.239 1.00 0.00 O ATOM 76 CG2 THR A 5 13.496 -18.719 14.592 1.00 0.00 C ATOM 0 H THR A 5 12.463 -18.397 17.674 1.00 0.00 H new ATOM 0 HA THR A 5 12.819 -16.799 16.276 1.00 0.00 H new ATOM 0 HB THR A 5 12.203 -17.175 13.854 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.339 -18.717 14.797 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.660 -19.172 13.614 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.304 -18.020 14.809 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.476 -19.498 15.354 1.00 0.00 H new ATOM 84 N ARG A 6 10.868 -15.263 16.700 1.00 0.00 N ATOM 85 CA ARG A 6 9.943 -14.144 16.627 1.00 0.00 C ATOM 86 C ARG A 6 10.667 -12.893 16.131 1.00 0.00 C ATOM 87 O ARG A 6 11.438 -12.271 16.860 1.00 0.00 O ATOM 88 CB ARG A 6 9.283 -13.885 17.988 1.00 0.00 C ATOM 89 CG ARG A 6 10.269 -13.751 19.135 1.00 0.00 C ATOM 90 CD ARG A 6 9.585 -13.315 20.418 1.00 0.00 C ATOM 91 NE ARG A 6 10.524 -13.252 21.539 1.00 0.00 N ATOM 92 CZ ARG A 6 10.989 -12.117 22.066 1.00 0.00 C ATOM 93 NH1 ARG A 6 10.638 -10.946 21.549 1.00 0.00 N ATOM 94 NH2 ARG A 6 11.812 -12.148 23.107 1.00 0.00 N ATOM 0 H ARG A 6 11.562 -15.187 17.444 1.00 0.00 H new ATOM 0 HA ARG A 6 9.155 -14.396 15.917 1.00 0.00 H new ATOM 0 HB2 ARG A 6 8.688 -12.974 17.925 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.594 -14.701 18.208 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.771 -14.705 19.297 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.039 -13.027 18.870 1.00 0.00 H new ATOM 0 HD2 ARG A 6 9.127 -12.337 20.272 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.781 -14.011 20.656 1.00 0.00 H new ATOM 0 HE ARG A 6 10.844 -14.132 21.944 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.010 -10.911 20.746 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.996 -10.081 21.955 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.093 -13.043 23.509 1.00 0.00 H new ATOM 0 HH22 ARG A 6 12.164 -11.277 23.505 1.00 0.00 H new ATOM 108 N PHE A 7 10.437 -12.550 14.874 1.00 0.00 N ATOM 109 CA PHE A 7 11.082 -11.390 14.274 1.00 0.00 C ATOM 110 C PHE A 7 10.046 -10.384 13.801 1.00 0.00 C ATOM 111 O PHE A 7 9.435 -10.553 12.743 1.00 0.00 O ATOM 112 CB PHE A 7 11.972 -11.801 13.098 1.00 0.00 C ATOM 113 CG PHE A 7 13.110 -12.710 13.476 1.00 0.00 C ATOM 114 CD1 PHE A 7 14.296 -12.189 13.970 1.00 0.00 C ATOM 115 CD2 PHE A 7 12.996 -14.085 13.329 1.00 0.00 C ATOM 116 CE1 PHE A 7 15.343 -13.022 14.314 1.00 0.00 C ATOM 117 CE2 PHE A 7 14.043 -14.922 13.670 1.00 0.00 C ATOM 118 CZ PHE A 7 15.217 -14.388 14.163 1.00 0.00 C ATOM 0 H PHE A 7 9.810 -13.056 14.249 1.00 0.00 H new ATOM 0 HA PHE A 7 11.705 -10.928 15.040 1.00 0.00 H new ATOM 0 HB2 PHE A 7 11.357 -12.299 12.348 1.00 0.00 H new ATOM 0 HB3 PHE A 7 12.378 -10.903 12.632 1.00 0.00 H new ATOM 0 HD1 PHE A 7 14.402 -11.121 14.087 1.00 0.00 H new ATOM 0 HD2 PHE A 7 12.079 -14.507 12.944 1.00 0.00 H new ATOM 0 HE1 PHE A 7 16.260 -12.604 14.701 1.00 0.00 H new ATOM 0 HE2 PHE A 7 13.942 -15.991 13.551 1.00 0.00 H new ATOM 0 HZ PHE A 7 16.036 -15.039 14.430 1.00 0.00 H new ATOM 128 N SER A 8 9.837 -9.351 14.594 1.00 0.00 N ATOM 129 CA SER A 8 8.902 -8.296 14.240 1.00 0.00 C ATOM 130 C SER A 8 9.605 -7.211 13.427 1.00 0.00 C ATOM 131 O SER A 8 10.729 -6.820 13.751 1.00 0.00 O ATOM 132 CB SER A 8 8.290 -7.700 15.510 1.00 0.00 C ATOM 133 OG SER A 8 7.759 -8.719 16.341 1.00 0.00 O ATOM 0 H SER A 8 10.303 -9.218 15.491 1.00 0.00 H new ATOM 0 HA SER A 8 8.106 -8.719 13.628 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.049 -7.139 16.055 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.502 -6.995 15.243 1.00 0.00 H new ATOM 0 HG SER A 8 7.375 -8.316 17.147 1.00 0.00 H new ATOM 139 N PRO A 9 8.960 -6.720 12.355 1.00 0.00 N ATOM 140 CA PRO A 9 9.520 -5.665 11.501 1.00 0.00 C ATOM 141 C PRO A 9 9.947 -4.433 12.300 1.00 0.00 C ATOM 142 O PRO A 9 10.962 -3.807 11.991 1.00 0.00 O ATOM 143 CB PRO A 9 8.368 -5.319 10.554 1.00 0.00 C ATOM 144 CG PRO A 9 7.532 -6.549 10.512 1.00 0.00 C ATOM 145 CD PRO A 9 7.637 -7.167 11.880 1.00 0.00 C ATOM 0 HA PRO A 9 10.423 -5.996 10.988 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.798 -4.465 10.919 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.736 -5.056 9.562 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.497 -6.309 10.270 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.887 -7.237 9.745 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.837 -6.826 12.538 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.572 -8.254 11.836 1.00 0.00 H new ATOM 153 N GLU A 10 9.179 -4.117 13.341 1.00 0.00 N ATOM 154 CA GLU A 10 9.472 -2.980 14.212 1.00 0.00 C ATOM 155 C GLU A 10 10.854 -3.122 14.855 1.00 0.00 C ATOM 156 O GLU A 10 11.552 -2.131 15.082 1.00 0.00 O ATOM 157 CB GLU A 10 8.397 -2.879 15.294 1.00 0.00 C ATOM 158 CG GLU A 10 8.509 -1.648 16.180 1.00 0.00 C ATOM 159 CD GLU A 10 7.421 -1.598 17.237 1.00 0.00 C ATOM 160 OE1 GLU A 10 6.284 -1.197 16.908 1.00 0.00 O ATOM 161 OE2 GLU A 10 7.693 -1.966 18.397 1.00 0.00 O ATOM 0 H GLU A 10 8.342 -4.637 13.603 1.00 0.00 H new ATOM 0 HA GLU A 10 9.473 -2.071 13.611 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.417 -2.880 14.816 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.446 -3.769 15.922 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.485 -1.640 16.666 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.453 -0.752 15.562 1.00 0.00 H new ATOM 168 N VAL A 11 11.247 -4.363 15.125 1.00 0.00 N ATOM 169 CA VAL A 11 12.539 -4.649 15.737 1.00 0.00 C ATOM 170 C VAL A 11 13.670 -4.299 14.776 1.00 0.00 C ATOM 171 O VAL A 11 14.613 -3.596 15.143 1.00 0.00 O ATOM 172 CB VAL A 11 12.651 -6.137 16.151 1.00 0.00 C ATOM 173 CG1 VAL A 11 14.008 -6.431 16.775 1.00 0.00 C ATOM 174 CG2 VAL A 11 11.529 -6.510 17.110 1.00 0.00 C ATOM 0 H VAL A 11 10.685 -5.191 14.928 1.00 0.00 H new ATOM 0 HA VAL A 11 12.622 -4.036 16.634 1.00 0.00 H new ATOM 0 HB VAL A 11 12.555 -6.746 15.252 1.00 0.00 H new ATOM 0 HG11 VAL A 11 14.059 -7.483 17.056 1.00 0.00 H new ATOM 0 HG12 VAL A 11 14.795 -6.209 16.055 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.143 -5.811 17.662 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.624 -7.559 17.390 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.592 -5.889 18.003 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.567 -6.350 16.624 1.00 0.00 H new ATOM 184 N ARG A 12 13.555 -4.769 13.536 1.00 0.00 N ATOM 185 CA ARG A 12 14.561 -4.481 12.515 1.00 0.00 C ATOM 186 C ARG A 12 14.597 -2.989 12.223 1.00 0.00 C ATOM 187 O ARG A 12 15.667 -2.407 12.040 1.00 0.00 O ATOM 188 CB ARG A 12 14.272 -5.240 11.220 1.00 0.00 C ATOM 189 CG ARG A 12 14.107 -6.736 11.403 1.00 0.00 C ATOM 190 CD ARG A 12 14.054 -7.450 10.063 1.00 0.00 C ATOM 191 NE ARG A 12 13.085 -6.844 9.148 1.00 0.00 N ATOM 192 CZ ARG A 12 12.736 -7.382 7.984 1.00 0.00 C ATOM 193 NH1 ARG A 12 13.235 -8.556 7.618 1.00 0.00 N ATOM 194 NH2 ARG A 12 11.884 -6.754 7.186 1.00 0.00 N ATOM 0 H ARG A 12 12.779 -5.348 13.214 1.00 0.00 H new ATOM 0 HA ARG A 12 15.527 -4.807 12.901 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.364 -4.837 10.770 1.00 0.00 H new ATOM 0 HB3 ARG A 12 15.084 -5.058 10.516 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.936 -7.126 11.994 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.194 -6.938 11.962 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.043 -7.432 9.605 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.795 -8.497 10.222 1.00 0.00 H new ATOM 0 HE ARG A 12 12.654 -5.960 9.419 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.887 -9.046 8.230 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.966 -8.968 6.724 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.493 -5.854 7.464 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.619 -7.171 6.294 1.00 0.00 H new ATOM 208 N GLN A 13 13.415 -2.387 12.179 1.00 0.00 N ATOM 209 CA GLN A 13 13.278 -0.954 11.981 1.00 0.00 C ATOM 210 C GLN A 13 14.102 -0.194 13.009 1.00 0.00 C ATOM 211 O GLN A 13 14.992 0.577 12.656 1.00 0.00 O ATOM 212 CB GLN A 13 11.809 -0.547 12.103 1.00 0.00 C ATOM 213 CG GLN A 13 11.588 0.956 12.090 1.00 0.00 C ATOM 214 CD GLN A 13 10.223 1.339 12.613 1.00 0.00 C ATOM 215 OE1 GLN A 13 10.043 1.554 13.813 1.00 0.00 O ATOM 216 NE2 GLN A 13 9.252 1.430 11.724 1.00 0.00 N ATOM 0 H GLN A 13 12.527 -2.879 12.280 1.00 0.00 H new ATOM 0 HA GLN A 13 13.641 -0.708 10.983 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.248 -0.995 11.283 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.403 -0.957 13.028 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.355 1.439 12.695 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.703 1.329 11.072 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.443 1.244 10.739 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.311 1.687 12.021 1.00 0.00 H new ATOM 225 N ARG A 14 13.815 -0.441 14.281 1.00 0.00 N ATOM 226 CA ARG A 14 14.485 0.256 15.370 1.00 0.00 C ATOM 227 C ARG A 14 15.977 -0.053 15.386 1.00 0.00 C ATOM 228 O ARG A 14 16.786 0.801 15.737 1.00 0.00 O ATOM 229 CB ARG A 14 13.842 -0.114 16.710 1.00 0.00 C ATOM 230 CG ARG A 14 14.440 0.618 17.904 1.00 0.00 C ATOM 231 CD ARG A 14 13.538 0.520 19.121 1.00 0.00 C ATOM 232 NE ARG A 14 12.237 1.137 18.868 1.00 0.00 N ATOM 233 CZ ARG A 14 11.241 1.181 19.748 1.00 0.00 C ATOM 234 NH1 ARG A 14 11.385 0.642 20.952 1.00 0.00 N ATOM 235 NH2 ARG A 14 10.099 1.769 19.411 1.00 0.00 N ATOM 0 H ARG A 14 13.119 -1.122 14.584 1.00 0.00 H new ATOM 0 HA ARG A 14 14.370 1.328 15.210 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.775 0.101 16.661 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.944 -1.188 16.866 1.00 0.00 H new ATOM 0 HG2 ARG A 14 15.418 0.197 18.139 1.00 0.00 H new ATOM 0 HG3 ARG A 14 14.597 1.666 17.649 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.400 -0.527 19.391 1.00 0.00 H new ATOM 0 HD3 ARG A 14 14.015 1.008 19.971 1.00 0.00 H new ATOM 0 HE ARG A 14 12.083 1.563 17.954 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.263 0.191 21.207 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.617 0.679 21.623 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.992 2.182 18.484 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.329 1.808 20.079 1.00 0.00 H new ATOM 249 N ALA A 15 16.333 -1.271 14.998 1.00 0.00 N ATOM 250 CA ALA A 15 17.732 -1.664 14.913 1.00 0.00 C ATOM 251 C ALA A 15 18.488 -0.769 13.937 1.00 0.00 C ATOM 252 O ALA A 15 19.416 -0.062 14.324 1.00 0.00 O ATOM 253 CB ALA A 15 17.851 -3.123 14.500 1.00 0.00 C ATOM 0 H ALA A 15 15.672 -2.003 14.737 1.00 0.00 H new ATOM 0 HA ALA A 15 18.180 -1.546 15.900 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.904 -3.400 14.441 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.351 -3.752 15.237 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.384 -3.265 13.525 1.00 0.00 H new ATOM 259 N VAL A 16 18.060 -0.781 12.680 1.00 0.00 N ATOM 260 CA VAL A 16 18.708 0.012 11.638 1.00 0.00 C ATOM 261 C VAL A 16 18.573 1.505 11.935 1.00 0.00 C ATOM 262 O VAL A 16 19.518 2.274 11.739 1.00 0.00 O ATOM 263 CB VAL A 16 18.117 -0.294 10.243 1.00 0.00 C ATOM 264 CG1 VAL A 16 18.826 0.514 9.163 1.00 0.00 C ATOM 265 CG2 VAL A 16 18.201 -1.784 9.940 1.00 0.00 C ATOM 0 H VAL A 16 17.265 -1.332 12.356 1.00 0.00 H new ATOM 0 HA VAL A 16 19.763 -0.261 11.632 1.00 0.00 H new ATOM 0 HB VAL A 16 17.067 -0.003 10.249 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.392 0.281 8.191 1.00 0.00 H new ATOM 0 HG12 VAL A 16 18.707 1.578 9.368 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.886 0.262 9.157 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.780 -1.979 8.954 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.244 -2.101 9.959 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.639 -2.340 10.691 1.00 0.00 H new ATOM 275 N ARG A 17 17.398 1.901 12.419 1.00 0.00 N ATOM 276 CA ARG A 17 17.135 3.289 12.797 1.00 0.00 C ATOM 277 C ARG A 17 18.166 3.767 13.809 1.00 0.00 C ATOM 278 O ARG A 17 18.810 4.800 13.618 1.00 0.00 O ATOM 279 CB ARG A 17 15.732 3.403 13.400 1.00 0.00 C ATOM 280 CG ARG A 17 15.277 4.825 13.682 1.00 0.00 C ATOM 281 CD ARG A 17 13.994 4.832 14.496 1.00 0.00 C ATOM 282 NE ARG A 17 13.390 6.158 14.568 1.00 0.00 N ATOM 283 CZ ARG A 17 13.306 6.883 15.683 1.00 0.00 C ATOM 284 NH1 ARG A 17 13.818 6.431 16.821 1.00 0.00 N ATOM 285 NH2 ARG A 17 12.709 8.067 15.657 1.00 0.00 N ATOM 0 H ARG A 17 16.606 1.274 12.560 1.00 0.00 H new ATOM 0 HA ARG A 17 17.200 3.913 11.906 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.020 2.936 12.720 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.704 2.835 14.330 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.058 5.361 14.222 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.119 5.354 12.742 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.282 4.135 14.054 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.204 4.476 15.505 1.00 0.00 H new ATOM 0 HE ARG A 17 13.008 6.556 13.710 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.280 5.522 16.847 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.749 6.993 17.670 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.315 8.421 14.785 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.643 8.624 16.509 1.00 0.00 H new ATOM 299 N MET A 18 18.326 2.989 14.872 1.00 0.00 N ATOM 300 CA MET A 18 19.270 3.301 15.932 1.00 0.00 C ATOM 301 C MET A 18 20.695 3.360 15.390 1.00 0.00 C ATOM 302 O MET A 18 21.487 4.204 15.811 1.00 0.00 O ATOM 303 CB MET A 18 19.146 2.261 17.051 1.00 0.00 C ATOM 304 CG MET A 18 20.113 2.452 18.207 1.00 0.00 C ATOM 305 SD MET A 18 19.714 1.398 19.618 1.00 0.00 S ATOM 306 CE MET A 18 19.589 -0.208 18.832 1.00 0.00 C ATOM 0 H MET A 18 17.805 2.125 15.021 1.00 0.00 H new ATOM 0 HA MET A 18 19.036 4.284 16.340 1.00 0.00 H new ATOM 0 HB2 MET A 18 18.128 2.285 17.439 1.00 0.00 H new ATOM 0 HB3 MET A 18 19.301 1.270 16.626 1.00 0.00 H new ATOM 0 HG2 MET A 18 21.126 2.235 17.869 1.00 0.00 H new ATOM 0 HG3 MET A 18 20.099 3.496 18.521 1.00 0.00 H new ATOM 0 HE1 MET A 18 19.927 -0.979 19.524 1.00 0.00 H new ATOM 0 HE2 MET A 18 18.552 -0.398 18.555 1.00 0.00 H new ATOM 0 HE3 MET A 18 20.212 -0.225 17.938 1.00 0.00 H new ATOM 316 N VAL A 19 21.012 2.482 14.441 1.00 0.00 N ATOM 317 CA VAL A 19 22.325 2.496 13.799 1.00 0.00 C ATOM 318 C VAL A 19 22.557 3.829 13.092 1.00 0.00 C ATOM 319 O VAL A 19 23.585 4.475 13.293 1.00 0.00 O ATOM 320 CB VAL A 19 22.486 1.350 12.772 1.00 0.00 C ATOM 321 CG1 VAL A 19 23.829 1.442 12.055 1.00 0.00 C ATOM 322 CG2 VAL A 19 22.342 -0.008 13.442 1.00 0.00 C ATOM 0 H VAL A 19 20.382 1.756 14.101 1.00 0.00 H new ATOM 0 HA VAL A 19 23.063 2.355 14.589 1.00 0.00 H new ATOM 0 HB VAL A 19 21.692 1.457 12.033 1.00 0.00 H new ATOM 0 HG11 VAL A 19 23.916 0.625 11.339 1.00 0.00 H new ATOM 0 HG12 VAL A 19 23.896 2.394 11.529 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.636 1.373 12.784 1.00 0.00 H new ATOM 0 HG21 VAL A 19 22.459 -0.795 12.697 1.00 0.00 H new ATOM 0 HG22 VAL A 19 23.108 -0.118 14.210 1.00 0.00 H new ATOM 0 HG23 VAL A 19 21.356 -0.085 13.899 1.00 0.00 H new ATOM 332 N LEU A 20 21.582 4.243 12.287 1.00 0.00 N ATOM 333 CA LEU A 20 21.692 5.467 11.499 1.00 0.00 C ATOM 334 C LEU A 20 21.846 6.690 12.395 1.00 0.00 C ATOM 335 O LEU A 20 22.741 7.512 12.195 1.00 0.00 O ATOM 336 CB LEU A 20 20.456 5.635 10.611 1.00 0.00 C ATOM 337 CG LEU A 20 20.179 4.481 9.652 1.00 0.00 C ATOM 338 CD1 LEU A 20 18.955 4.783 8.800 1.00 0.00 C ATOM 339 CD2 LEU A 20 21.392 4.209 8.777 1.00 0.00 C ATOM 0 H LEU A 20 20.701 3.744 12.163 1.00 0.00 H new ATOM 0 HA LEU A 20 22.582 5.383 10.875 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.585 5.770 11.252 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.569 6.550 10.029 1.00 0.00 H new ATOM 0 HG LEU A 20 19.977 3.584 10.238 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.770 3.951 8.121 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.088 4.924 9.446 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.129 5.691 8.222 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.174 3.383 8.100 1.00 0.00 H new ATOM 0 HD22 LEU A 20 21.629 5.101 8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 20 22.243 3.948 9.406 1.00 0.00 H new ATOM 351 N GLU A 21 20.990 6.785 13.404 1.00 0.00 N ATOM 352 CA GLU A 21 20.947 7.963 14.258 1.00 0.00 C ATOM 353 C GLU A 21 22.140 8.014 15.211 1.00 0.00 C ATOM 354 O GLU A 21 22.413 9.045 15.821 1.00 0.00 O ATOM 355 CB GLU A 21 19.632 8.003 15.032 1.00 0.00 C ATOM 356 CG GLU A 21 18.423 7.827 14.128 1.00 0.00 C ATOM 357 CD GLU A 21 17.114 8.161 14.806 1.00 0.00 C ATOM 358 OE1 GLU A 21 16.941 7.797 15.987 1.00 0.00 O ATOM 359 OE2 GLU A 21 16.253 8.788 14.153 1.00 0.00 O ATOM 0 H GLU A 21 20.316 6.060 13.651 1.00 0.00 H new ATOM 0 HA GLU A 21 21.007 8.844 13.619 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.634 7.218 15.788 1.00 0.00 H new ATOM 0 HB3 GLU A 21 19.553 8.953 15.560 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.540 8.461 13.249 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.389 6.796 13.776 1.00 0.00 H new ATOM 366 N SER A 22 22.844 6.897 15.341 1.00 0.00 N ATOM 367 CA SER A 22 24.089 6.870 16.095 1.00 0.00 C ATOM 368 C SER A 22 25.269 7.116 15.154 1.00 0.00 C ATOM 369 O SER A 22 26.305 7.646 15.560 1.00 0.00 O ATOM 370 CB SER A 22 24.252 5.533 16.821 1.00 0.00 C ATOM 371 OG SER A 22 23.119 5.252 17.631 1.00 0.00 O ATOM 0 H SER A 22 22.575 6.001 14.935 1.00 0.00 H new ATOM 0 HA SER A 22 24.063 7.660 16.845 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.390 4.734 16.093 1.00 0.00 H new ATOM 0 HB3 SER A 22 25.149 5.558 17.440 1.00 0.00 H new ATOM 0 HG SER A 22 22.414 4.852 17.080 1.00 0.00 H new ATOM 377 N GLN A 23 25.092 6.745 13.889 1.00 0.00 N ATOM 378 CA GLN A 23 26.119 6.941 12.870 1.00 0.00 C ATOM 379 C GLN A 23 26.326 8.427 12.599 1.00 0.00 C ATOM 380 O GLN A 23 27.405 8.847 12.184 1.00 0.00 O ATOM 381 CB GLN A 23 25.723 6.230 11.574 1.00 0.00 C ATOM 382 CG GLN A 23 26.786 6.295 10.491 1.00 0.00 C ATOM 383 CD GLN A 23 26.312 5.727 9.169 1.00 0.00 C ATOM 384 OE1 GLN A 23 25.025 5.870 8.881 1.00 0.00 O flip ATOM 385 NE2 GLN A 23 27.098 5.172 8.405 1.00 0.00 N flip ATOM 0 H GLN A 23 24.240 6.304 13.543 1.00 0.00 H new ATOM 0 HA GLN A 23 27.053 6.516 13.239 1.00 0.00 H new ATOM 0 HB2 GLN A 23 25.506 5.185 11.795 1.00 0.00 H new ATOM 0 HB3 GLN A 23 24.802 6.673 11.194 1.00 0.00 H new ATOM 0 HG2 GLN A 23 27.089 7.332 10.348 1.00 0.00 H new ATOM 0 HG3 GLN A 23 27.669 5.747 10.821 1.00 0.00 H new ATOM 0 HE21 GLN A 23 28.081 5.081 8.662 1.00 0.00 H new ATOM 0 HE22 GLN A 23 26.768 4.802 7.514 1.00 0.00 H new ATOM 394 N GLY A 24 25.282 9.217 12.831 1.00 0.00 N ATOM 395 CA GLY A 24 25.377 10.658 12.670 1.00 0.00 C ATOM 396 C GLY A 24 26.312 11.295 13.683 1.00 0.00 C ATOM 397 O GLY A 24 26.690 12.457 13.546 1.00 0.00 O ATOM 0 H GLY A 24 24.366 8.883 13.130 1.00 0.00 H new ATOM 0 HA2 GLY A 24 25.727 10.886 11.663 1.00 0.00 H new ATOM 0 HA3 GLY A 24 24.385 11.098 12.769 1.00 0.00 H new ATOM 401 N GLU A 25 26.682 10.535 14.704 1.00 0.00 N ATOM 402 CA GLU A 25 27.607 11.017 15.719 1.00 0.00 C ATOM 403 C GLU A 25 28.933 10.274 15.633 1.00 0.00 C ATOM 404 O GLU A 25 30.002 10.888 15.619 1.00 0.00 O ATOM 405 CB GLU A 25 27.015 10.837 17.119 1.00 0.00 C ATOM 406 CG GLU A 25 27.959 11.266 18.230 1.00 0.00 C ATOM 407 CD GLU A 25 27.420 10.955 19.607 1.00 0.00 C ATOM 408 OE1 GLU A 25 26.569 11.723 20.102 1.00 0.00 O ATOM 409 OE2 GLU A 25 27.842 9.942 20.202 1.00 0.00 O ATOM 0 H GLU A 25 26.355 9.580 14.851 1.00 0.00 H new ATOM 0 HA GLU A 25 27.778 12.078 15.537 1.00 0.00 H new ATOM 0 HB2 GLU A 25 26.093 11.413 17.193 1.00 0.00 H new ATOM 0 HB3 GLU A 25 26.749 9.790 17.262 1.00 0.00 H new ATOM 0 HG2 GLU A 25 28.919 10.766 18.099 1.00 0.00 H new ATOM 0 HG3 GLU A 25 28.144 12.337 18.150 1.00 0.00 H new ATOM 416 N TYR A 26 28.851 8.949 15.574 1.00 0.00 N ATOM 417 CA TYR A 26 30.031 8.099 15.614 1.00 0.00 C ATOM 418 C TYR A 26 30.928 8.283 14.398 1.00 0.00 C ATOM 419 O TYR A 26 30.483 8.692 13.324 1.00 0.00 O ATOM 420 CB TYR A 26 29.624 6.633 15.750 1.00 0.00 C ATOM 421 CG TYR A 26 29.502 6.178 17.185 1.00 0.00 C ATOM 422 CD1 TYR A 26 28.593 6.770 18.055 1.00 0.00 C ATOM 423 CD2 TYR A 26 30.308 5.161 17.672 1.00 0.00 C ATOM 424 CE1 TYR A 26 28.497 6.359 19.372 1.00 0.00 C ATOM 425 CE2 TYR A 26 30.220 4.746 18.984 1.00 0.00 C ATOM 426 CZ TYR A 26 29.313 5.344 19.828 1.00 0.00 C ATOM 427 OH TYR A 26 29.228 4.931 21.139 1.00 0.00 O ATOM 0 H TYR A 26 27.971 8.439 15.498 1.00 0.00 H new ATOM 0 HA TYR A 26 30.609 8.401 16.487 1.00 0.00 H new ATOM 0 HB2 TYR A 26 28.670 6.479 15.245 1.00 0.00 H new ATOM 0 HB3 TYR A 26 30.359 6.010 15.240 1.00 0.00 H new ATOM 0 HD1 TYR A 26 27.953 7.562 17.697 1.00 0.00 H new ATOM 0 HD2 TYR A 26 31.018 4.685 17.012 1.00 0.00 H new ATOM 0 HE1 TYR A 26 27.789 6.829 20.038 1.00 0.00 H new ATOM 0 HE2 TYR A 26 30.860 3.955 19.347 1.00 0.00 H new ATOM 0 HH TYR A 26 29.870 4.208 21.296 1.00 0.00 H new ATOM 437 N ASP A 27 32.198 7.967 14.594 1.00 0.00 N ATOM 438 CA ASP A 27 33.212 8.119 13.564 1.00 0.00 C ATOM 439 C ASP A 27 33.117 7.007 12.523 1.00 0.00 C ATOM 440 O ASP A 27 33.349 7.234 11.335 1.00 0.00 O ATOM 441 CB ASP A 27 34.599 8.116 14.214 1.00 0.00 C ATOM 442 CG ASP A 27 35.727 8.096 13.202 1.00 0.00 C ATOM 443 OD1 ASP A 27 36.001 9.149 12.589 1.00 0.00 O ATOM 444 OD2 ASP A 27 36.355 7.027 13.025 1.00 0.00 O ATOM 0 H ASP A 27 32.555 7.597 15.475 1.00 0.00 H new ATOM 0 HA ASP A 27 33.047 9.067 13.052 1.00 0.00 H new ATOM 0 HB2 ASP A 27 34.700 8.999 14.845 1.00 0.00 H new ATOM 0 HB3 ASP A 27 34.687 7.246 14.865 1.00 0.00 H new ATOM 449 N SER A 28 32.761 5.813 12.971 1.00 0.00 N ATOM 450 CA SER A 28 32.738 4.650 12.100 1.00 0.00 C ATOM 451 C SER A 28 31.373 3.973 12.121 1.00 0.00 C ATOM 452 O SER A 28 30.718 3.901 13.163 1.00 0.00 O ATOM 453 CB SER A 28 33.823 3.650 12.518 1.00 0.00 C ATOM 454 OG SER A 28 33.783 2.479 11.718 1.00 0.00 O ATOM 0 H SER A 28 32.484 5.625 13.934 1.00 0.00 H new ATOM 0 HA SER A 28 32.936 4.990 11.083 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.804 4.118 12.432 1.00 0.00 H new ATOM 0 HB3 SER A 28 33.688 3.382 13.566 1.00 0.00 H new ATOM 0 HG SER A 28 34.578 1.934 11.896 1.00 0.00 H new ATOM 460 N GLN A 29 30.957 3.473 10.962 1.00 0.00 N ATOM 461 CA GLN A 29 29.715 2.725 10.848 1.00 0.00 C ATOM 462 C GLN A 29 29.899 1.338 11.454 1.00 0.00 C ATOM 463 O GLN A 29 28.940 0.695 11.878 1.00 0.00 O ATOM 464 CB GLN A 29 29.294 2.621 9.379 1.00 0.00 C ATOM 465 CG GLN A 29 27.918 2.005 9.171 1.00 0.00 C ATOM 466 CD GLN A 29 27.515 1.963 7.708 1.00 0.00 C ATOM 467 OE1 GLN A 29 28.360 1.838 6.821 1.00 0.00 O ATOM 468 NE2 GLN A 29 26.224 2.078 7.443 1.00 0.00 N ATOM 0 H GLN A 29 31.467 3.575 10.085 1.00 0.00 H new ATOM 0 HA GLN A 29 28.927 3.246 11.392 1.00 0.00 H new ATOM 0 HB2 GLN A 29 29.305 3.617 8.937 1.00 0.00 H new ATOM 0 HB3 GLN A 29 30.032 2.026 8.842 1.00 0.00 H new ATOM 0 HG2 GLN A 29 27.912 0.993 9.575 1.00 0.00 H new ATOM 0 HG3 GLN A 29 27.179 2.577 9.732 1.00 0.00 H new ATOM 0 HE21 GLN A 29 25.554 2.180 8.205 1.00 0.00 H new ATOM 0 HE22 GLN A 29 25.899 2.065 6.476 1.00 0.00 H new ATOM 477 N TRP A 30 31.145 0.888 11.505 1.00 0.00 N ATOM 478 CA TRP A 30 31.473 -0.366 12.160 1.00 0.00 C ATOM 479 C TRP A 30 31.361 -0.197 13.669 1.00 0.00 C ATOM 480 O TRP A 30 30.908 -1.094 14.380 1.00 0.00 O ATOM 481 CB TRP A 30 32.888 -0.815 11.780 1.00 0.00 C ATOM 482 CG TRP A 30 33.310 -2.089 12.448 1.00 0.00 C ATOM 483 CD1 TRP A 30 32.877 -3.350 12.158 1.00 0.00 C ATOM 484 CD2 TRP A 30 34.256 -2.225 13.515 1.00 0.00 C ATOM 485 NE1 TRP A 30 33.486 -4.261 12.985 1.00 0.00 N ATOM 486 CE2 TRP A 30 34.339 -3.595 13.828 1.00 0.00 C ATOM 487 CE3 TRP A 30 35.037 -1.318 14.238 1.00 0.00 C ATOM 488 CZ2 TRP A 30 35.176 -4.081 14.830 1.00 0.00 C ATOM 489 CZ3 TRP A 30 35.865 -1.800 15.236 1.00 0.00 C ATOM 490 CH2 TRP A 30 35.929 -3.170 15.522 1.00 0.00 C ATOM 0 H TRP A 30 31.944 1.375 11.100 1.00 0.00 H new ATOM 0 HA TRP A 30 30.771 -1.133 11.831 1.00 0.00 H new ATOM 0 HB2 TRP A 30 32.941 -0.946 10.699 1.00 0.00 H new ATOM 0 HB3 TRP A 30 33.593 -0.026 12.041 1.00 0.00 H new ATOM 0 HD1 TRP A 30 32.159 -3.596 11.389 1.00 0.00 H new ATOM 0 HE1 TRP A 30 33.330 -5.269 12.974 1.00 0.00 H new ATOM 0 HE3 TRP A 30 34.995 -0.261 14.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 35.229 -5.136 15.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 36.471 -1.110 15.803 1.00 0.00 H new ATOM 0 HH2 TRP A 30 36.587 -3.515 16.306 1.00 0.00 H new ATOM 501 N ALA A 31 31.754 0.981 14.141 1.00 0.00 N ATOM 502 CA ALA A 31 31.729 1.294 15.560 1.00 0.00 C ATOM 503 C ALA A 31 30.303 1.263 16.102 1.00 0.00 C ATOM 504 O ALA A 31 30.066 0.800 17.218 1.00 0.00 O ATOM 505 CB ALA A 31 32.368 2.653 15.813 1.00 0.00 C ATOM 0 H ALA A 31 32.097 1.740 13.552 1.00 0.00 H new ATOM 0 HA ALA A 31 32.305 0.534 16.087 1.00 0.00 H new ATOM 0 HB1 ALA A 31 32.342 2.874 16.880 1.00 0.00 H new ATOM 0 HB2 ALA A 31 33.403 2.638 15.470 1.00 0.00 H new ATOM 0 HB3 ALA A 31 31.817 3.421 15.270 1.00 0.00 H new ATOM 511 N THR A 32 29.353 1.746 15.308 1.00 0.00 N ATOM 512 CA THR A 32 27.955 1.737 15.719 1.00 0.00 C ATOM 513 C THR A 32 27.412 0.313 15.759 1.00 0.00 C ATOM 514 O THR A 32 26.831 -0.105 16.759 1.00 0.00 O ATOM 515 CB THR A 32 27.081 2.604 14.791 1.00 0.00 C ATOM 516 OG1 THR A 32 27.437 2.373 13.425 1.00 0.00 O ATOM 517 CG2 THR A 32 27.244 4.078 15.118 1.00 0.00 C ATOM 0 H THR A 32 29.524 2.145 14.385 1.00 0.00 H new ATOM 0 HA THR A 32 27.913 2.164 16.721 1.00 0.00 H new ATOM 0 HB THR A 32 26.039 2.325 14.946 1.00 0.00 H new ATOM 0 HG1 THR A 32 28.104 1.657 13.377 1.00 0.00 H new ATOM 0 HG21 THR A 32 26.618 4.670 14.451 1.00 0.00 H new ATOM 0 HG22 THR A 32 26.944 4.257 16.151 1.00 0.00 H new ATOM 0 HG23 THR A 32 28.287 4.366 14.988 1.00 0.00 H new ATOM 525 N ILE A 33 27.625 -0.434 14.680 1.00 0.00 N ATOM 526 CA ILE A 33 27.169 -1.819 14.596 1.00 0.00 C ATOM 527 C ILE A 33 27.738 -2.652 15.745 1.00 0.00 C ATOM 528 O ILE A 33 27.010 -3.389 16.410 1.00 0.00 O ATOM 529 CB ILE A 33 27.563 -2.463 13.246 1.00 0.00 C ATOM 530 CG1 ILE A 33 26.849 -1.754 12.089 1.00 0.00 C ATOM 531 CG2 ILE A 33 27.234 -3.951 13.245 1.00 0.00 C ATOM 532 CD1 ILE A 33 27.271 -2.246 10.720 1.00 0.00 C ATOM 0 H ILE A 33 28.113 -0.102 13.848 1.00 0.00 H new ATOM 0 HA ILE A 33 26.082 -1.804 14.670 1.00 0.00 H new ATOM 0 HB ILE A 33 28.639 -2.351 13.111 1.00 0.00 H new ATOM 0 HG12 ILE A 33 25.773 -1.891 12.199 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.042 -0.683 12.156 1.00 0.00 H new ATOM 0 HG21 ILE A 33 27.519 -4.386 12.287 1.00 0.00 H new ATOM 0 HG22 ILE A 33 27.784 -4.446 14.046 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.164 -4.087 13.402 1.00 0.00 H new ATOM 0 HD11 ILE A 33 26.724 -1.699 9.952 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.341 -2.084 10.589 1.00 0.00 H new ATOM 0 HD13 ILE A 33 27.052 -3.310 10.632 1.00 0.00 H new ATOM 544 N CYS A 34 29.034 -2.500 15.992 1.00 0.00 N ATOM 545 CA CYS A 34 29.722 -3.276 17.021 1.00 0.00 C ATOM 546 C CYS A 34 29.198 -2.937 18.423 1.00 0.00 C ATOM 547 O CYS A 34 29.293 -3.748 19.345 1.00 0.00 O ATOM 548 CB CYS A 34 31.233 -3.024 16.942 1.00 0.00 C ATOM 549 SG CYS A 34 32.237 -4.172 17.916 1.00 0.00 S ATOM 0 H CYS A 34 29.633 -1.843 15.492 1.00 0.00 H new ATOM 0 HA CYS A 34 29.523 -4.332 16.839 1.00 0.00 H new ATOM 0 HB2 CYS A 34 31.544 -3.084 15.899 1.00 0.00 H new ATOM 0 HB3 CYS A 34 31.437 -2.007 17.278 1.00 0.00 H new ATOM 0 HG CYS A 34 33.495 -3.873 17.778 1.00 0.00 H new ATOM 555 N SER A 35 28.629 -1.748 18.576 1.00 0.00 N ATOM 556 CA SER A 35 28.113 -1.313 19.867 1.00 0.00 C ATOM 557 C SER A 35 26.629 -1.656 20.015 1.00 0.00 C ATOM 558 O SER A 35 26.115 -1.764 21.128 1.00 0.00 O ATOM 559 CB SER A 35 28.328 0.192 20.023 1.00 0.00 C ATOM 560 OG SER A 35 29.697 0.527 19.860 1.00 0.00 O ATOM 0 H SER A 35 28.513 -1.069 17.824 1.00 0.00 H new ATOM 0 HA SER A 35 28.655 -1.840 20.652 1.00 0.00 H new ATOM 0 HB2 SER A 35 27.728 0.727 19.287 1.00 0.00 H new ATOM 0 HB3 SER A 35 27.986 0.512 21.007 1.00 0.00 H new ATOM 0 HG SER A 35 29.958 0.390 18.925 1.00 0.00 H new ATOM 566 N ILE A 36 25.950 -1.838 18.891 1.00 0.00 N ATOM 567 CA ILE A 36 24.521 -2.120 18.896 1.00 0.00 C ATOM 568 C ILE A 36 24.259 -3.626 18.874 1.00 0.00 C ATOM 569 O ILE A 36 23.237 -4.101 19.377 1.00 0.00 O ATOM 570 CB ILE A 36 23.829 -1.427 17.701 1.00 0.00 C ATOM 571 CG1 ILE A 36 23.867 0.092 17.900 1.00 0.00 C ATOM 572 CG2 ILE A 36 22.395 -1.917 17.531 1.00 0.00 C ATOM 573 CD1 ILE A 36 23.313 0.878 16.736 1.00 0.00 C ATOM 0 H ILE A 36 26.367 -1.795 17.961 1.00 0.00 H new ATOM 0 HA ILE A 36 24.099 -1.720 19.818 1.00 0.00 H new ATOM 0 HB ILE A 36 24.368 -1.682 16.789 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.302 0.345 18.797 1.00 0.00 H new ATOM 0 HG13 ILE A 36 24.898 0.400 18.075 1.00 0.00 H new ATOM 0 HG21 ILE A 36 21.936 -1.411 16.682 1.00 0.00 H new ATOM 0 HG22 ILE A 36 22.397 -2.993 17.354 1.00 0.00 H new ATOM 0 HG23 ILE A 36 21.826 -1.699 18.435 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.375 1.944 16.954 1.00 0.00 H new ATOM 0 HD12 ILE A 36 23.892 0.657 15.839 1.00 0.00 H new ATOM 0 HD13 ILE A 36 22.271 0.601 16.573 1.00 0.00 H new ATOM 585 N ALA A 37 25.203 -4.369 18.314 1.00 0.00 N ATOM 586 CA ALA A 37 25.119 -5.825 18.259 1.00 0.00 C ATOM 587 C ALA A 37 24.807 -6.446 19.634 1.00 0.00 C ATOM 588 O ALA A 37 23.836 -7.195 19.759 1.00 0.00 O ATOM 589 CB ALA A 37 26.403 -6.402 17.673 1.00 0.00 C ATOM 0 H ALA A 37 26.045 -3.984 17.887 1.00 0.00 H new ATOM 0 HA ALA A 37 24.285 -6.083 17.606 1.00 0.00 H new ATOM 0 HB1 ALA A 37 26.330 -7.489 17.636 1.00 0.00 H new ATOM 0 HB2 ALA A 37 26.549 -6.014 16.665 1.00 0.00 H new ATOM 0 HB3 ALA A 37 27.249 -6.116 18.298 1.00 0.00 H new ATOM 595 N PRO A 38 25.591 -6.135 20.694 1.00 0.00 N ATOM 596 CA PRO A 38 25.361 -6.703 22.030 1.00 0.00 C ATOM 597 C PRO A 38 24.140 -6.107 22.738 1.00 0.00 C ATOM 598 O PRO A 38 23.821 -6.489 23.864 1.00 0.00 O ATOM 599 CB PRO A 38 26.641 -6.352 22.788 1.00 0.00 C ATOM 600 CG PRO A 38 27.121 -5.103 22.139 1.00 0.00 C ATOM 601 CD PRO A 38 26.769 -5.238 20.686 1.00 0.00 C ATOM 0 HA PRO A 38 25.152 -7.771 21.978 1.00 0.00 H new ATOM 0 HB2 PRO A 38 26.446 -6.199 23.849 1.00 0.00 H new ATOM 0 HB3 PRO A 38 27.380 -7.150 22.712 1.00 0.00 H new ATOM 0 HG2 PRO A 38 26.644 -4.226 22.577 1.00 0.00 H new ATOM 0 HG3 PRO A 38 28.196 -4.981 22.272 1.00 0.00 H new ATOM 0 HD2 PRO A 38 26.534 -4.272 20.239 1.00 0.00 H new ATOM 0 HD3 PRO A 38 27.592 -5.663 20.112 1.00 0.00 H new ATOM 609 N LYS A 39 23.466 -5.166 22.085 1.00 0.00 N ATOM 610 CA LYS A 39 22.254 -4.578 22.642 1.00 0.00 C ATOM 611 C LYS A 39 21.045 -5.420 22.261 1.00 0.00 C ATOM 612 O LYS A 39 20.043 -5.457 22.976 1.00 0.00 O ATOM 613 CB LYS A 39 22.053 -3.145 22.147 1.00 0.00 C ATOM 614 CG LYS A 39 23.133 -2.175 22.592 1.00 0.00 C ATOM 615 CD LYS A 39 22.809 -0.758 22.155 1.00 0.00 C ATOM 616 CE LYS A 39 23.865 0.232 22.623 1.00 0.00 C ATOM 617 NZ LYS A 39 24.053 0.193 24.097 1.00 0.00 N ATOM 0 H LYS A 39 23.737 -4.796 21.174 1.00 0.00 H new ATOM 0 HA LYS A 39 22.361 -4.556 23.726 1.00 0.00 H new ATOM 0 HB2 LYS A 39 22.012 -3.151 21.058 1.00 0.00 H new ATOM 0 HB3 LYS A 39 21.087 -2.783 22.500 1.00 0.00 H new ATOM 0 HG2 LYS A 39 23.233 -2.210 23.677 1.00 0.00 H new ATOM 0 HG3 LYS A 39 24.093 -2.478 22.173 1.00 0.00 H new ATOM 0 HD2 LYS A 39 22.732 -0.721 21.068 1.00 0.00 H new ATOM 0 HD3 LYS A 39 21.837 -0.468 22.553 1.00 0.00 H new ATOM 0 HE2 LYS A 39 24.812 0.011 22.131 1.00 0.00 H new ATOM 0 HE3 LYS A 39 23.577 1.239 22.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 24.593 1.028 24.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 23.125 0.192 24.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 24.573 -0.669 24.358 1.00 0.00 H new ATOM 631 N ILE A 40 21.146 -6.091 21.122 1.00 0.00 N ATOM 632 CA ILE A 40 20.070 -6.944 20.638 1.00 0.00 C ATOM 633 C ILE A 40 20.434 -8.414 20.815 1.00 0.00 C ATOM 634 O ILE A 40 19.606 -9.224 21.233 1.00 0.00 O ATOM 635 CB ILE A 40 19.755 -6.659 19.150 1.00 0.00 C ATOM 636 CG1 ILE A 40 19.429 -5.174 18.953 1.00 0.00 C ATOM 637 CG2 ILE A 40 18.598 -7.528 18.670 1.00 0.00 C ATOM 638 CD1 ILE A 40 19.209 -4.787 17.507 1.00 0.00 C ATOM 0 H ILE A 40 21.965 -6.061 20.514 1.00 0.00 H new ATOM 0 HA ILE A 40 19.181 -6.721 21.227 1.00 0.00 H new ATOM 0 HB ILE A 40 20.635 -6.905 18.556 1.00 0.00 H new ATOM 0 HG12 ILE A 40 18.535 -4.928 19.526 1.00 0.00 H new ATOM 0 HG13 ILE A 40 20.243 -4.575 19.361 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.392 -7.313 17.622 1.00 0.00 H new ATOM 0 HG22 ILE A 40 18.863 -8.580 18.779 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.711 -7.314 19.266 1.00 0.00 H new ATOM 0 HD11 ILE A 40 18.983 -3.722 17.446 1.00 0.00 H new ATOM 0 HD12 ILE A 40 20.110 -5.000 16.932 1.00 0.00 H new ATOM 0 HD13 ILE A 40 18.375 -5.359 17.100 1.00 0.00 H new ATOM 650 N GLY A 41 21.684 -8.742 20.522 1.00 0.00 N ATOM 651 CA GLY A 41 22.131 -10.121 20.575 1.00 0.00 C ATOM 652 C GLY A 41 22.387 -10.676 19.190 1.00 0.00 C ATOM 653 O GLY A 41 22.419 -11.889 18.986 1.00 0.00 O ATOM 0 H GLY A 41 22.403 -8.073 20.246 1.00 0.00 H new ATOM 0 HA2 GLY A 41 23.043 -10.186 21.168 1.00 0.00 H new ATOM 0 HA3 GLY A 41 21.379 -10.729 21.078 1.00 0.00 H new ATOM 657 N CYS A 42 22.572 -9.777 18.235 1.00 0.00 N ATOM 658 CA CYS A 42 22.768 -10.158 16.848 1.00 0.00 C ATOM 659 C CYS A 42 24.224 -9.990 16.437 1.00 0.00 C ATOM 660 O CYS A 42 24.920 -9.106 16.937 1.00 0.00 O ATOM 661 CB CYS A 42 21.870 -9.308 15.949 1.00 0.00 C ATOM 662 SG CYS A 42 22.003 -7.529 16.255 1.00 0.00 S ATOM 0 H CYS A 42 22.590 -8.771 18.400 1.00 0.00 H new ATOM 0 HA CYS A 42 22.503 -11.210 16.738 1.00 0.00 H new ATOM 0 HB2 CYS A 42 22.121 -9.508 14.907 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.834 -9.615 16.092 1.00 0.00 H new ATOM 0 HG CYS A 42 20.951 -6.928 15.783 1.00 0.00 H new ATOM 668 N THR A 43 24.678 -10.846 15.535 1.00 0.00 N ATOM 669 CA THR A 43 26.034 -10.775 15.018 1.00 0.00 C ATOM 670 C THR A 43 26.193 -9.538 14.128 1.00 0.00 C ATOM 671 O THR A 43 25.286 -9.206 13.365 1.00 0.00 O ATOM 672 CB THR A 43 26.358 -12.057 14.222 1.00 0.00 C ATOM 673 OG1 THR A 43 26.098 -13.199 15.047 1.00 0.00 O ATOM 674 CG2 THR A 43 27.808 -12.087 13.759 1.00 0.00 C ATOM 0 H THR A 43 24.120 -11.605 15.143 1.00 0.00 H new ATOM 0 HA THR A 43 26.731 -10.694 15.852 1.00 0.00 H new ATOM 0 HB THR A 43 25.726 -12.073 13.334 1.00 0.00 H new ATOM 0 HG1 THR A 43 26.300 -14.017 14.547 1.00 0.00 H new ATOM 0 HG21 THR A 43 27.993 -13.006 13.203 1.00 0.00 H new ATOM 0 HG22 THR A 43 28.003 -11.228 13.116 1.00 0.00 H new ATOM 0 HG23 THR A 43 28.468 -12.048 14.626 1.00 0.00 H new ATOM 682 N PRO A 44 27.331 -8.822 14.239 1.00 0.00 N ATOM 683 CA PRO A 44 27.607 -7.628 13.429 1.00 0.00 C ATOM 684 C PRO A 44 27.362 -7.844 11.935 1.00 0.00 C ATOM 685 O PRO A 44 26.819 -6.974 11.257 1.00 0.00 O ATOM 686 CB PRO A 44 29.086 -7.361 13.692 1.00 0.00 C ATOM 687 CG PRO A 44 29.324 -7.901 15.057 1.00 0.00 C ATOM 688 CD PRO A 44 28.428 -9.103 15.187 1.00 0.00 C ATOM 0 HA PRO A 44 26.948 -6.802 13.697 1.00 0.00 H new ATOM 0 HB2 PRO A 44 29.716 -7.856 12.954 1.00 0.00 H new ATOM 0 HB3 PRO A 44 29.312 -6.296 13.641 1.00 0.00 H new ATOM 0 HG2 PRO A 44 30.370 -8.177 15.191 1.00 0.00 H new ATOM 0 HG3 PRO A 44 29.091 -7.156 15.818 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.953 -10.024 14.932 1.00 0.00 H new ATOM 0 HD3 PRO A 44 28.058 -9.219 16.206 1.00 0.00 H new ATOM 696 N GLU A 45 27.751 -9.011 11.432 1.00 0.00 N ATOM 697 CA GLU A 45 27.573 -9.331 10.020 1.00 0.00 C ATOM 698 C GLU A 45 26.092 -9.490 9.679 1.00 0.00 C ATOM 699 O GLU A 45 25.665 -9.158 8.577 1.00 0.00 O ATOM 700 CB GLU A 45 28.345 -10.603 9.668 1.00 0.00 C ATOM 701 CG GLU A 45 29.854 -10.454 9.803 1.00 0.00 C ATOM 702 CD GLU A 45 30.455 -9.533 8.757 1.00 0.00 C ATOM 703 OE1 GLU A 45 30.239 -8.304 8.832 1.00 0.00 O ATOM 704 OE2 GLU A 45 31.150 -10.040 7.852 1.00 0.00 O ATOM 0 H GLU A 45 28.191 -9.750 11.980 1.00 0.00 H new ATOM 0 HA GLU A 45 27.967 -8.506 9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 45 28.009 -11.413 10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 45 28.106 -10.892 8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 45 30.088 -10.069 10.796 1.00 0.00 H new ATOM 0 HG3 GLU A 45 30.319 -11.437 9.724 1.00 0.00 H new ATOM 711 N THR A 46 25.317 -9.979 10.636 1.00 0.00 N ATOM 712 CA THR A 46 23.879 -10.127 10.463 1.00 0.00 C ATOM 713 C THR A 46 23.218 -8.750 10.427 1.00 0.00 C ATOM 714 O THR A 46 22.329 -8.488 9.611 1.00 0.00 O ATOM 715 CB THR A 46 23.283 -10.957 11.611 1.00 0.00 C ATOM 716 OG1 THR A 46 24.197 -12.006 11.966 1.00 0.00 O ATOM 717 CG2 THR A 46 21.944 -11.561 11.211 1.00 0.00 C ATOM 0 H THR A 46 25.663 -10.282 11.546 1.00 0.00 H new ATOM 0 HA THR A 46 23.692 -10.644 9.522 1.00 0.00 H new ATOM 0 HB THR A 46 23.121 -10.299 12.465 1.00 0.00 H new ATOM 0 HG1 THR A 46 23.758 -12.628 12.583 1.00 0.00 H new ATOM 0 HG21 THR A 46 21.545 -12.143 12.042 1.00 0.00 H new ATOM 0 HG22 THR A 46 21.246 -10.763 10.958 1.00 0.00 H new ATOM 0 HG23 THR A 46 22.081 -12.210 10.346 1.00 0.00 H new ATOM 725 N LEU A 47 23.675 -7.871 11.317 1.00 0.00 N ATOM 726 CA LEU A 47 23.223 -6.484 11.347 1.00 0.00 C ATOM 727 C LEU A 47 23.535 -5.831 9.999 1.00 0.00 C ATOM 728 O LEU A 47 22.708 -5.125 9.423 1.00 0.00 O ATOM 729 CB LEU A 47 23.941 -5.740 12.495 1.00 0.00 C ATOM 730 CG LEU A 47 23.272 -4.462 13.037 1.00 0.00 C ATOM 731 CD1 LEU A 47 23.208 -3.363 11.988 1.00 0.00 C ATOM 732 CD2 LEU A 47 21.883 -4.768 13.576 1.00 0.00 C ATOM 0 H LEU A 47 24.365 -8.099 12.033 1.00 0.00 H new ATOM 0 HA LEU A 47 22.148 -6.438 11.521 1.00 0.00 H new ATOM 0 HB2 LEU A 47 24.060 -6.436 13.325 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.942 -5.477 12.153 1.00 0.00 H new ATOM 0 HG LEU A 47 23.892 -4.096 13.855 1.00 0.00 H new ATOM 0 HD11 LEU A 47 22.729 -2.481 12.414 1.00 0.00 H new ATOM 0 HD12 LEU A 47 24.218 -3.108 11.666 1.00 0.00 H new ATOM 0 HD13 LEU A 47 22.631 -3.711 11.131 1.00 0.00 H new ATOM 0 HD21 LEU A 47 21.429 -3.852 13.953 1.00 0.00 H new ATOM 0 HD22 LEU A 47 21.265 -5.177 12.777 1.00 0.00 H new ATOM 0 HD23 LEU A 47 21.958 -5.495 14.384 1.00 0.00 H new ATOM 744 N ARG A 48 24.734 -6.110 9.502 1.00 0.00 N ATOM 745 CA ARG A 48 25.206 -5.606 8.215 1.00 0.00 C ATOM 746 C ARG A 48 24.241 -5.985 7.088 1.00 0.00 C ATOM 747 O ARG A 48 24.000 -5.198 6.170 1.00 0.00 O ATOM 748 CB ARG A 48 26.592 -6.195 7.939 1.00 0.00 C ATOM 749 CG ARG A 48 27.434 -5.410 6.953 1.00 0.00 C ATOM 750 CD ARG A 48 28.770 -6.098 6.728 1.00 0.00 C ATOM 751 NE ARG A 48 29.801 -5.174 6.269 1.00 0.00 N ATOM 752 CZ ARG A 48 31.084 -5.277 6.612 1.00 0.00 C ATOM 753 NH1 ARG A 48 31.493 -6.274 7.395 1.00 0.00 N ATOM 754 NH2 ARG A 48 31.962 -4.379 6.182 1.00 0.00 N ATOM 0 H ARG A 48 25.414 -6.698 9.985 1.00 0.00 H new ATOM 0 HA ARG A 48 25.260 -4.518 8.254 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.135 -6.267 8.882 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.471 -7.211 7.563 1.00 0.00 H new ATOM 0 HG2 ARG A 48 26.903 -5.316 6.006 1.00 0.00 H new ATOM 0 HG3 ARG A 48 27.597 -4.400 7.329 1.00 0.00 H new ATOM 0 HD2 ARG A 48 29.094 -6.568 7.656 1.00 0.00 H new ATOM 0 HD3 ARG A 48 28.647 -6.894 5.994 1.00 0.00 H new ATOM 0 HE ARG A 48 29.525 -4.409 5.653 1.00 0.00 H new ATOM 0 HH11 ARG A 48 30.823 -6.963 7.735 1.00 0.00 H new ATOM 0 HH12 ARG A 48 32.477 -6.348 7.655 1.00 0.00 H new ATOM 0 HH21 ARG A 48 31.655 -3.609 5.588 1.00 0.00 H new ATOM 0 HH22 ARG A 48 32.944 -4.459 6.445 1.00 0.00 H new ATOM 768 N VAL A 49 23.691 -7.196 7.170 1.00 0.00 N ATOM 769 CA VAL A 49 22.741 -7.686 6.174 1.00 0.00 C ATOM 770 C VAL A 49 21.463 -6.853 6.182 1.00 0.00 C ATOM 771 O VAL A 49 20.970 -6.446 5.126 1.00 0.00 O ATOM 772 CB VAL A 49 22.384 -9.172 6.412 1.00 0.00 C ATOM 773 CG1 VAL A 49 21.348 -9.651 5.404 1.00 0.00 C ATOM 774 CG2 VAL A 49 23.630 -10.039 6.338 1.00 0.00 C ATOM 0 H VAL A 49 23.889 -7.858 7.920 1.00 0.00 H new ATOM 0 HA VAL A 49 23.225 -7.594 5.202 1.00 0.00 H new ATOM 0 HB VAL A 49 21.956 -9.259 7.411 1.00 0.00 H new ATOM 0 HG11 VAL A 49 21.114 -10.699 5.593 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.442 -9.053 5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.746 -9.544 4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 49 23.359 -11.081 6.508 1.00 0.00 H new ATOM 0 HG22 VAL A 49 24.085 -9.939 5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 49 24.341 -9.720 7.100 1.00 0.00 H new ATOM 784 N TRP A 50 20.941 -6.586 7.373 1.00 0.00 N ATOM 785 CA TRP A 50 19.716 -5.803 7.506 1.00 0.00 C ATOM 786 C TRP A 50 19.919 -4.383 6.993 1.00 0.00 C ATOM 787 O TRP A 50 19.000 -3.773 6.447 1.00 0.00 O ATOM 788 CB TRP A 50 19.243 -5.775 8.961 1.00 0.00 C ATOM 789 CG TRP A 50 18.839 -7.118 9.483 1.00 0.00 C ATOM 790 CD1 TRP A 50 18.134 -8.079 8.816 1.00 0.00 C ATOM 791 CD2 TRP A 50 19.099 -7.644 10.789 1.00 0.00 C ATOM 792 NE1 TRP A 50 17.955 -9.177 9.624 1.00 0.00 N ATOM 793 CE2 TRP A 50 18.535 -8.930 10.842 1.00 0.00 C ATOM 794 CE3 TRP A 50 19.761 -7.150 11.914 1.00 0.00 C ATOM 795 CZ2 TRP A 50 18.614 -9.732 11.979 1.00 0.00 C ATOM 796 CZ3 TRP A 50 19.835 -7.944 13.045 1.00 0.00 C ATOM 797 CH2 TRP A 50 19.264 -9.222 13.069 1.00 0.00 C ATOM 0 H TRP A 50 21.343 -6.898 8.257 1.00 0.00 H new ATOM 0 HA TRP A 50 18.947 -6.283 6.900 1.00 0.00 H new ATOM 0 HB2 TRP A 50 20.041 -5.376 9.587 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.398 -5.091 9.047 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.771 -7.990 7.803 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.470 -10.035 9.361 1.00 0.00 H new ATOM 0 HE3 TRP A 50 20.207 -6.167 11.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 18.178 -10.720 11.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 20.341 -7.572 13.923 1.00 0.00 H new ATOM 0 HH2 TRP A 50 19.338 -9.818 13.967 1.00 0.00 H new ATOM 808 N VAL A 51 21.128 -3.861 7.168 1.00 0.00 N ATOM 809 CA VAL A 51 21.472 -2.554 6.632 1.00 0.00 C ATOM 810 C VAL A 51 21.378 -2.570 5.109 1.00 0.00 C ATOM 811 O VAL A 51 20.785 -1.677 4.508 1.00 0.00 O ATOM 812 CB VAL A 51 22.891 -2.114 7.058 1.00 0.00 C ATOM 813 CG1 VAL A 51 23.257 -0.769 6.434 1.00 0.00 C ATOM 814 CG2 VAL A 51 22.995 -2.040 8.572 1.00 0.00 C ATOM 0 H VAL A 51 21.883 -4.323 7.676 1.00 0.00 H new ATOM 0 HA VAL A 51 20.760 -1.836 7.039 1.00 0.00 H new ATOM 0 HB VAL A 51 23.598 -2.861 6.696 1.00 0.00 H new ATOM 0 HG11 VAL A 51 24.260 -0.482 6.750 1.00 0.00 H new ATOM 0 HG12 VAL A 51 23.228 -0.852 5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 51 22.544 -0.011 6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 51 24.001 -1.729 8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 51 22.272 -1.318 8.951 1.00 0.00 H new ATOM 0 HG23 VAL A 51 22.786 -3.021 8.999 1.00 0.00 H new ATOM 824 N ARG A 52 21.937 -3.611 4.494 1.00 0.00 N ATOM 825 CA ARG A 52 21.920 -3.739 3.041 1.00 0.00 C ATOM 826 C ARG A 52 20.491 -3.808 2.520 1.00 0.00 C ATOM 827 O ARG A 52 20.162 -3.170 1.524 1.00 0.00 O ATOM 828 CB ARG A 52 22.697 -4.976 2.588 1.00 0.00 C ATOM 829 CG ARG A 52 22.780 -5.114 1.073 1.00 0.00 C ATOM 830 CD ARG A 52 23.598 -6.327 0.666 1.00 0.00 C ATOM 831 NE ARG A 52 24.964 -6.258 1.182 1.00 0.00 N ATOM 832 CZ ARG A 52 25.686 -7.323 1.533 1.00 0.00 C ATOM 833 NH1 ARG A 52 25.215 -8.549 1.326 1.00 0.00 N ATOM 834 NH2 ARG A 52 26.894 -7.156 2.057 1.00 0.00 N ATOM 0 H ARG A 52 22.406 -4.376 4.980 1.00 0.00 H new ATOM 0 HA ARG A 52 22.404 -2.854 2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 52 23.706 -4.933 2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 52 22.223 -5.866 3.002 1.00 0.00 H new ATOM 0 HG2 ARG A 52 21.775 -5.197 0.659 1.00 0.00 H new ATOM 0 HG3 ARG A 52 23.226 -4.215 0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 52 23.115 -7.232 1.035 1.00 0.00 H new ATOM 0 HD3 ARG A 52 23.623 -6.400 -0.421 1.00 0.00 H new ATOM 0 HE ARG A 52 25.392 -5.337 1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 52 24.298 -8.678 0.897 1.00 0.00 H new ATOM 0 HH12 ARG A 52 25.770 -9.361 1.596 1.00 0.00 H new ATOM 0 HH21 ARG A 52 27.267 -6.216 2.190 1.00 0.00 H new ATOM 0 HH22 ARG A 52 27.450 -7.968 2.327 1.00 0.00 H new ATOM 848 N GLN A 53 19.645 -4.576 3.201 1.00 0.00 N ATOM 849 CA GLN A 53 18.246 -4.701 2.806 1.00 0.00 C ATOM 850 C GLN A 53 17.561 -3.338 2.859 1.00 0.00 C ATOM 851 O GLN A 53 16.739 -3.013 2.004 1.00 0.00 O ATOM 852 CB GLN A 53 17.513 -5.693 3.709 1.00 0.00 C ATOM 853 CG GLN A 53 16.061 -5.922 3.306 1.00 0.00 C ATOM 854 CD GLN A 53 15.339 -6.909 4.206 1.00 0.00 C ATOM 855 OE1 GLN A 53 15.650 -7.035 5.391 1.00 0.00 O ATOM 856 NE2 GLN A 53 14.368 -7.619 3.649 1.00 0.00 N ATOM 0 H GLN A 53 19.903 -5.119 4.025 1.00 0.00 H new ATOM 0 HA GLN A 53 18.211 -5.077 1.784 1.00 0.00 H new ATOM 0 HB2 GLN A 53 18.041 -6.646 3.693 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.544 -5.329 4.736 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.531 -4.970 3.324 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.029 -6.286 2.279 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.140 -7.486 2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.849 -8.298 4.206 1.00 0.00 H new ATOM 865 N HIS A 54 17.927 -2.546 3.862 1.00 0.00 N ATOM 866 CA HIS A 54 17.372 -1.209 4.039 1.00 0.00 C ATOM 867 C HIS A 54 17.814 -0.279 2.911 1.00 0.00 C ATOM 868 O HIS A 54 16.998 0.419 2.314 1.00 0.00 O ATOM 869 CB HIS A 54 17.807 -0.639 5.393 1.00 0.00 C ATOM 870 CG HIS A 54 17.248 0.722 5.699 1.00 0.00 C ATOM 871 ND1 HIS A 54 17.924 1.892 5.428 1.00 0.00 N ATOM 872 CD2 HIS A 54 16.081 1.091 6.277 1.00 0.00 C ATOM 873 CE1 HIS A 54 17.198 2.919 5.826 1.00 0.00 C ATOM 874 NE2 HIS A 54 16.076 2.459 6.345 1.00 0.00 N ATOM 0 H HIS A 54 18.612 -2.811 4.570 1.00 0.00 H new ATOM 0 HA HIS A 54 16.285 -1.282 4.012 1.00 0.00 H new ATOM 0 HB2 HIS A 54 17.502 -1.329 6.180 1.00 0.00 H new ATOM 0 HB3 HIS A 54 18.895 -0.586 5.419 1.00 0.00 H new ATOM 0 HD1 HIS A 54 18.842 1.954 4.988 1.00 0.00 H new ATOM 0 HD2 HIS A 54 15.299 0.430 6.621 1.00 0.00 H new ATOM 0 HE1 HIS A 54 17.475 3.959 5.741 1.00 0.00 H new ATOM 883 N GLU A 55 19.108 -0.283 2.624 1.00 0.00 N ATOM 884 CA GLU A 55 19.668 0.591 1.600 1.00 0.00 C ATOM 885 C GLU A 55 19.189 0.168 0.211 1.00 0.00 C ATOM 886 O GLU A 55 18.795 1.002 -0.603 1.00 0.00 O ATOM 887 CB GLU A 55 21.201 0.571 1.654 1.00 0.00 C ATOM 888 CG GLU A 55 21.782 0.839 3.040 1.00 0.00 C ATOM 889 CD GLU A 55 21.352 2.168 3.635 1.00 0.00 C ATOM 890 OE1 GLU A 55 20.248 2.234 4.217 1.00 0.00 O ATOM 891 OE2 GLU A 55 22.129 3.143 3.548 1.00 0.00 O ATOM 0 H GLU A 55 19.792 -0.882 3.086 1.00 0.00 H new ATOM 0 HA GLU A 55 19.323 1.606 1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.553 -0.400 1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.588 1.317 0.960 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.481 0.036 3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.870 0.813 2.980 1.00 0.00 H new ATOM 898 N ARG A 56 19.194 -1.141 -0.033 1.00 0.00 N ATOM 899 CA ARG A 56 18.782 -1.697 -1.319 1.00 0.00 C ATOM 900 C ARG A 56 17.276 -1.534 -1.512 1.00 0.00 C ATOM 901 O ARG A 56 16.769 -1.606 -2.629 1.00 0.00 O ATOM 902 CB ARG A 56 19.174 -3.178 -1.399 1.00 0.00 C ATOM 903 CG ARG A 56 19.111 -3.763 -2.800 1.00 0.00 C ATOM 904 CD ARG A 56 19.518 -5.230 -2.802 1.00 0.00 C ATOM 905 NE ARG A 56 19.700 -5.761 -4.154 1.00 0.00 N ATOM 906 CZ ARG A 56 20.100 -7.006 -4.417 1.00 0.00 C ATOM 907 NH1 ARG A 56 20.333 -7.867 -3.431 1.00 0.00 N ATOM 908 NH2 ARG A 56 20.264 -7.392 -5.675 1.00 0.00 N ATOM 0 H ARG A 56 19.482 -1.841 0.650 1.00 0.00 H new ATOM 0 HA ARG A 56 19.291 -1.155 -2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 56 20.187 -3.296 -1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 56 18.516 -3.752 -0.747 1.00 0.00 H new ATOM 0 HG2 ARG A 56 18.100 -3.663 -3.194 1.00 0.00 H new ATOM 0 HG3 ARG A 56 19.768 -3.199 -3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 56 20.446 -5.347 -2.242 1.00 0.00 H new ATOM 0 HD3 ARG A 56 18.757 -5.815 -2.285 1.00 0.00 H new ATOM 0 HE ARG A 56 19.510 -5.142 -4.942 1.00 0.00 H new ATOM 0 HH11 ARG A 56 20.206 -7.578 -2.461 1.00 0.00 H new ATOM 0 HH12 ARG A 56 20.639 -8.816 -3.645 1.00 0.00 H new ATOM 0 HH21 ARG A 56 20.084 -6.738 -6.437 1.00 0.00 H new ATOM 0 HH22 ARG A 56 20.570 -8.343 -5.881 1.00 0.00 H new ATOM 922 N ASP A 57 16.569 -1.314 -0.410 1.00 0.00 N ATOM 923 CA ASP A 57 15.131 -1.063 -0.453 1.00 0.00 C ATOM 924 C ASP A 57 14.835 0.253 -1.160 1.00 0.00 C ATOM 925 O ASP A 57 13.864 0.366 -1.909 1.00 0.00 O ATOM 926 CB ASP A 57 14.560 -1.034 0.971 1.00 0.00 C ATOM 927 CG ASP A 57 13.158 -0.458 1.042 1.00 0.00 C ATOM 928 OD1 ASP A 57 12.189 -1.216 0.832 1.00 0.00 O ATOM 929 OD2 ASP A 57 13.020 0.756 1.320 1.00 0.00 O ATOM 0 H ASP A 57 16.969 -1.304 0.528 1.00 0.00 H new ATOM 0 HA ASP A 57 14.657 -1.869 -1.012 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.550 -2.047 1.372 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.220 -0.446 1.608 1.00 0.00 H new ATOM 934 N THR A 58 15.690 1.237 -0.936 1.00 0.00 N ATOM 935 CA THR A 58 15.488 2.561 -1.489 1.00 0.00 C ATOM 936 C THR A 58 16.328 2.770 -2.751 1.00 0.00 C ATOM 937 O THR A 58 15.894 3.427 -3.697 1.00 0.00 O ATOM 938 CB THR A 58 15.843 3.625 -0.437 1.00 0.00 C ATOM 939 OG1 THR A 58 15.209 3.287 0.806 1.00 0.00 O ATOM 940 CG2 THR A 58 15.397 5.013 -0.880 1.00 0.00 C ATOM 0 H THR A 58 16.534 1.140 -0.372 1.00 0.00 H new ATOM 0 HA THR A 58 14.438 2.658 -1.764 1.00 0.00 H new ATOM 0 HB THR A 58 16.926 3.643 -0.315 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.433 3.961 1.481 1.00 0.00 H new ATOM 0 HG21 THR A 58 15.663 5.742 -0.114 1.00 0.00 H new ATOM 0 HG22 THR A 58 15.892 5.273 -1.816 1.00 0.00 H new ATOM 0 HG23 THR A 58 14.317 5.018 -1.027 1.00 0.00 H new ATOM 948 N GLY A 59 17.528 2.202 -2.765 1.00 0.00 N ATOM 949 CA GLY A 59 18.398 2.338 -3.917 1.00 0.00 C ATOM 950 C GLY A 59 19.011 1.015 -4.334 1.00 0.00 C ATOM 951 O GLY A 59 20.226 0.828 -4.246 1.00 0.00 O ATOM 0 H GLY A 59 17.914 1.650 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.831 2.752 -4.751 1.00 0.00 H new ATOM 0 HA3 GLY A 59 19.193 3.048 -3.688 1.00 0.00 H new ATOM 955 N GLY A 60 18.168 0.094 -4.781 1.00 0.00 N ATOM 956 CA GLY A 60 18.638 -1.215 -5.195 1.00 0.00 C ATOM 957 C GLY A 60 18.613 -1.384 -6.698 1.00 0.00 C ATOM 958 O GLY A 60 19.318 -2.230 -7.249 1.00 0.00 O ATOM 0 H GLY A 60 17.161 0.231 -4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 60 19.654 -1.366 -4.831 1.00 0.00 H new ATOM 0 HA3 GLY A 60 18.018 -1.984 -4.735 1.00 0.00 H new ATOM 962 N ASP A 61 17.782 -0.594 -7.357 1.00 0.00 N ATOM 963 CA ASP A 61 17.738 -0.581 -8.811 1.00 0.00 C ATOM 964 C ASP A 61 18.675 0.492 -9.337 1.00 0.00 C ATOM 965 O ASP A 61 19.534 0.229 -10.179 1.00 0.00 O ATOM 966 CB ASP A 61 16.311 -0.316 -9.297 1.00 0.00 C ATOM 967 CG ASP A 61 16.218 -0.209 -10.808 1.00 0.00 C ATOM 968 OD1 ASP A 61 16.352 0.912 -11.338 1.00 0.00 O ATOM 969 OD2 ASP A 61 15.993 -1.242 -11.470 1.00 0.00 O ATOM 0 H ASP A 61 17.128 0.047 -6.909 1.00 0.00 H new ATOM 0 HA ASP A 61 18.056 -1.554 -9.186 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.659 -1.119 -8.953 1.00 0.00 H new ATOM 0 HB3 ASP A 61 15.944 0.607 -8.848 1.00 0.00 H new ATOM 974 N ASP A 62 18.511 1.697 -8.811 1.00 0.00 N ATOM 975 CA ASP A 62 19.348 2.825 -9.190 1.00 0.00 C ATOM 976 C ASP A 62 19.771 3.592 -7.943 1.00 0.00 C ATOM 977 O ASP A 62 18.990 3.734 -7.002 1.00 0.00 O ATOM 978 CB ASP A 62 18.601 3.752 -10.156 1.00 0.00 C ATOM 979 CG ASP A 62 19.427 4.955 -10.566 1.00 0.00 C ATOM 980 OD1 ASP A 62 20.379 4.783 -11.354 1.00 0.00 O ATOM 981 OD2 ASP A 62 19.130 6.076 -10.095 1.00 0.00 O ATOM 0 H ASP A 62 17.800 1.919 -8.115 1.00 0.00 H new ATOM 0 HA ASP A 62 20.236 2.449 -9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 62 18.317 3.190 -11.046 1.00 0.00 H new ATOM 0 HB3 ASP A 62 17.678 4.093 -9.686 1.00 0.00 H new ATOM 986 N GLY A 63 21.009 4.061 -7.935 1.00 0.00 N ATOM 987 CA GLY A 63 21.524 4.792 -6.793 1.00 0.00 C ATOM 988 C GLY A 63 22.988 4.494 -6.548 1.00 0.00 C ATOM 989 O GLY A 63 23.853 5.328 -6.809 1.00 0.00 O ATOM 0 H GLY A 63 21.671 3.948 -8.703 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.393 5.862 -6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.947 4.533 -5.905 1.00 0.00 H new ATOM 993 N GLY A 64 23.268 3.299 -6.053 1.00 0.00 N ATOM 994 CA GLY A 64 24.642 2.888 -5.839 1.00 0.00 C ATOM 995 C GLY A 64 25.130 1.997 -6.957 1.00 0.00 C ATOM 996 O GLY A 64 24.566 2.005 -8.052 1.00 0.00 O ATOM 0 H GLY A 64 22.568 2.604 -5.795 1.00 0.00 H new ATOM 0 HA2 GLY A 64 25.280 3.769 -5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 64 24.722 2.360 -4.889 1.00 0.00 H new ATOM 1000 N LEU A 65 26.173 1.222 -6.698 1.00 0.00 N ATOM 1001 CA LEU A 65 26.676 0.289 -7.693 1.00 0.00 C ATOM 1002 C LEU A 65 25.894 -1.018 -7.615 1.00 0.00 C ATOM 1003 O LEU A 65 26.427 -2.062 -7.244 1.00 0.00 O ATOM 1004 CB LEU A 65 28.174 0.034 -7.503 1.00 0.00 C ATOM 1005 CG LEU A 65 28.833 -0.803 -8.602 1.00 0.00 C ATOM 1006 CD1 LEU A 65 28.725 -0.106 -9.951 1.00 0.00 C ATOM 1007 CD2 LEU A 65 30.286 -1.075 -8.261 1.00 0.00 C ATOM 0 H LEU A 65 26.683 1.221 -5.815 1.00 0.00 H new ATOM 0 HA LEU A 65 26.539 0.728 -8.681 1.00 0.00 H new ATOM 0 HB2 LEU A 65 28.686 0.994 -7.443 1.00 0.00 H new ATOM 0 HB3 LEU A 65 28.323 -0.467 -6.547 1.00 0.00 H new ATOM 0 HG LEU A 65 28.307 -1.755 -8.667 1.00 0.00 H new ATOM 0 HD11 LEU A 65 29.200 -0.719 -10.717 1.00 0.00 H new ATOM 0 HD12 LEU A 65 27.674 0.039 -10.203 1.00 0.00 H new ATOM 0 HD13 LEU A 65 29.223 0.862 -9.901 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.740 -1.671 -9.052 1.00 0.00 H new ATOM 0 HD22 LEU A 65 30.821 -0.130 -8.167 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.343 -1.620 -7.319 1.00 0.00 H new ATOM 1019 N THR A 66 24.615 -0.936 -7.938 1.00 0.00 N ATOM 1020 CA THR A 66 23.737 -2.091 -7.892 1.00 0.00 C ATOM 1021 C THR A 66 23.596 -2.712 -9.273 1.00 0.00 C ATOM 1022 O THR A 66 22.919 -3.723 -9.449 1.00 0.00 O ATOM 1023 CB THR A 66 22.353 -1.694 -7.354 1.00 0.00 C ATOM 1024 OG1 THR A 66 21.923 -0.474 -7.975 1.00 0.00 O ATOM 1025 CG2 THR A 66 22.396 -1.517 -5.842 1.00 0.00 C ATOM 0 H THR A 66 24.159 -0.074 -8.237 1.00 0.00 H new ATOM 0 HA THR A 66 24.179 -2.827 -7.220 1.00 0.00 H new ATOM 0 HB THR A 66 21.646 -2.490 -7.590 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.040 -0.225 -7.631 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.407 -1.236 -5.480 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.701 -2.453 -5.375 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.111 -0.735 -5.587 1.00 0.00 H new ATOM 1033 N THR A 67 24.245 -2.093 -10.246 1.00 0.00 N ATOM 1034 CA THR A 67 24.213 -2.564 -11.618 1.00 0.00 C ATOM 1035 C THR A 67 25.244 -3.666 -11.831 1.00 0.00 C ATOM 1036 O THR A 67 26.381 -3.556 -11.368 1.00 0.00 O ATOM 1037 CB THR A 67 24.495 -1.406 -12.592 1.00 0.00 C ATOM 1038 OG1 THR A 67 25.735 -0.774 -12.245 1.00 0.00 O ATOM 1039 CG2 THR A 67 23.371 -0.381 -12.553 1.00 0.00 C ATOM 0 H THR A 67 24.806 -1.253 -10.106 1.00 0.00 H new ATOM 0 HA THR A 67 23.218 -2.963 -11.813 1.00 0.00 H new ATOM 0 HB THR A 67 24.559 -1.812 -13.602 1.00 0.00 H new ATOM 0 HG1 THR A 67 25.913 -0.038 -12.868 1.00 0.00 H new ATOM 0 HG21 THR A 67 23.592 0.428 -13.249 1.00 0.00 H new ATOM 0 HG22 THR A 67 22.433 -0.858 -12.837 1.00 0.00 H new ATOM 0 HG23 THR A 67 23.281 0.023 -11.544 1.00 0.00 H new ATOM 1047 N ALA A 68 24.846 -4.724 -12.524 1.00 0.00 N ATOM 1048 CA ALA A 68 25.750 -5.826 -12.805 1.00 0.00 C ATOM 1049 C ALA A 68 26.586 -5.517 -14.041 1.00 0.00 C ATOM 1050 O ALA A 68 27.776 -5.226 -13.930 1.00 0.00 O ATOM 1051 CB ALA A 68 24.973 -7.125 -12.981 1.00 0.00 C ATOM 0 H ALA A 68 23.905 -4.841 -12.900 1.00 0.00 H new ATOM 0 HA ALA A 68 26.424 -5.952 -11.958 1.00 0.00 H new ATOM 0 HB1 ALA A 68 25.667 -7.939 -13.191 1.00 0.00 H new ATOM 0 HB2 ALA A 68 24.421 -7.345 -12.067 1.00 0.00 H new ATOM 0 HB3 ALA A 68 24.274 -7.021 -13.811 1.00 0.00 H new ATOM 1057 N GLU A 69 25.941 -5.574 -15.206 1.00 0.00 N ATOM 1058 CA GLU A 69 26.563 -5.219 -16.483 1.00 0.00 C ATOM 1059 C GLU A 69 27.888 -5.955 -16.718 1.00 0.00 C ATOM 1060 O GLU A 69 28.962 -5.436 -16.400 1.00 0.00 O ATOM 1061 CB GLU A 69 26.775 -3.702 -16.567 1.00 0.00 C ATOM 1062 CG GLU A 69 27.350 -3.236 -17.896 1.00 0.00 C ATOM 1063 CD GLU A 69 26.440 -3.533 -19.069 1.00 0.00 C ATOM 1064 OE1 GLU A 69 26.489 -4.666 -19.600 1.00 0.00 O ATOM 1065 OE2 GLU A 69 25.682 -2.632 -19.476 1.00 0.00 O ATOM 0 H GLU A 69 24.968 -5.869 -15.292 1.00 0.00 H new ATOM 0 HA GLU A 69 25.879 -5.535 -17.270 1.00 0.00 H new ATOM 0 HB2 GLU A 69 25.822 -3.201 -16.398 1.00 0.00 H new ATOM 0 HB3 GLU A 69 27.444 -3.393 -15.764 1.00 0.00 H new ATOM 0 HG2 GLU A 69 27.536 -2.163 -17.849 1.00 0.00 H new ATOM 0 HG3 GLU A 69 28.313 -3.719 -18.059 1.00 0.00 H new ATOM 1072 N ARG A 70 27.793 -7.163 -17.274 1.00 0.00 N ATOM 1073 CA ARG A 70 28.966 -7.954 -17.661 1.00 0.00 C ATOM 1074 C ARG A 70 29.913 -8.203 -16.480 1.00 0.00 C ATOM 1075 O ARG A 70 30.821 -7.413 -16.211 1.00 0.00 O ATOM 1076 CB ARG A 70 29.713 -7.258 -18.809 1.00 0.00 C ATOM 1077 CG ARG A 70 31.042 -7.897 -19.163 1.00 0.00 C ATOM 1078 CD ARG A 70 31.832 -7.021 -20.112 1.00 0.00 C ATOM 1079 NE ARG A 70 33.268 -7.230 -19.963 1.00 0.00 N ATOM 1080 CZ ARG A 70 34.061 -6.398 -19.289 1.00 0.00 C ATOM 1081 NH1 ARG A 70 33.554 -5.312 -18.715 1.00 0.00 N ATOM 1082 NH2 ARG A 70 35.356 -6.651 -19.184 1.00 0.00 N ATOM 0 H ARG A 70 26.903 -7.622 -17.469 1.00 0.00 H new ATOM 0 HA ARG A 70 28.610 -8.928 -17.997 1.00 0.00 H new ATOM 0 HB2 ARG A 70 29.076 -7.256 -19.694 1.00 0.00 H new ATOM 0 HB3 ARG A 70 29.884 -6.216 -18.537 1.00 0.00 H new ATOM 0 HG2 ARG A 70 31.620 -8.068 -18.255 1.00 0.00 H new ATOM 0 HG3 ARG A 70 30.870 -8.871 -19.620 1.00 0.00 H new ATOM 0 HD2 ARG A 70 31.537 -7.237 -21.139 1.00 0.00 H new ATOM 0 HD3 ARG A 70 31.594 -5.974 -19.925 1.00 0.00 H new ATOM 0 HE ARG A 70 33.686 -8.054 -20.396 1.00 0.00 H new ATOM 0 HH11 ARG A 70 32.556 -5.114 -18.790 1.00 0.00 H new ATOM 0 HH12 ARG A 70 34.163 -4.676 -18.199 1.00 0.00 H new ATOM 0 HH21 ARG A 70 35.750 -7.485 -19.620 1.00 0.00 H new ATOM 0 HH22 ARG A 70 35.960 -6.012 -18.667 1.00 0.00 H new ATOM 1096 N GLN A 71 29.702 -9.303 -15.771 1.00 0.00 N ATOM 1097 CA GLN A 71 30.557 -9.644 -14.648 1.00 0.00 C ATOM 1098 C GLN A 71 30.417 -11.114 -14.280 1.00 0.00 C ATOM 1099 O GLN A 71 29.311 -11.656 -14.266 1.00 0.00 O ATOM 1100 CB GLN A 71 30.215 -8.776 -13.439 1.00 0.00 C ATOM 1101 CG GLN A 71 31.159 -8.973 -12.262 1.00 0.00 C ATOM 1102 CD GLN A 71 30.817 -8.091 -11.078 1.00 0.00 C ATOM 1103 OE1 GLN A 71 30.284 -6.910 -11.349 1.00 0.00 O flip ATOM 1104 NE2 GLN A 71 31.052 -8.460 -9.927 1.00 0.00 N flip ATOM 0 H GLN A 71 28.951 -9.969 -15.953 1.00 0.00 H new ATOM 0 HA GLN A 71 31.589 -9.458 -14.945 1.00 0.00 H new ATOM 0 HB2 GLN A 71 30.234 -7.728 -13.738 1.00 0.00 H new ATOM 0 HB3 GLN A 71 29.197 -8.998 -13.119 1.00 0.00 H new ATOM 0 HG2 GLN A 71 31.131 -10.017 -11.951 1.00 0.00 H new ATOM 0 HG3 GLN A 71 32.180 -8.763 -12.582 1.00 0.00 H new ATOM 0 HE21 GLN A 71 31.464 -9.378 -9.760 1.00 0.00 H new ATOM 0 HE22 GLN A 71 30.835 -7.848 -9.141 1.00 0.00 H new ATOM 1113 N ARG A 72 31.547 -11.748 -14.002 1.00 0.00 N ATOM 1114 CA ARG A 72 31.566 -13.118 -13.513 1.00 0.00 C ATOM 1115 C ARG A 72 31.231 -13.135 -12.030 1.00 0.00 C ATOM 1116 O ARG A 72 31.661 -12.254 -11.284 1.00 0.00 O ATOM 1117 CB ARG A 72 32.942 -13.751 -13.729 1.00 0.00 C ATOM 1118 CG ARG A 72 33.331 -13.912 -15.186 1.00 0.00 C ATOM 1119 CD ARG A 72 32.416 -14.886 -15.904 1.00 0.00 C ATOM 1120 NE ARG A 72 32.905 -15.188 -17.244 1.00 0.00 N ATOM 1121 CZ ARG A 72 32.675 -16.332 -17.884 1.00 0.00 C ATOM 1122 NH1 ARG A 72 31.908 -17.269 -17.334 1.00 0.00 N ATOM 1123 NH2 ARG A 72 33.204 -16.525 -19.083 1.00 0.00 N ATOM 0 H ARG A 72 32.471 -11.330 -14.108 1.00 0.00 H new ATOM 0 HA ARG A 72 30.825 -13.693 -14.067 1.00 0.00 H new ATOM 0 HB2 ARG A 72 33.693 -13.139 -13.230 1.00 0.00 H new ATOM 0 HB3 ARG A 72 32.958 -14.730 -13.250 1.00 0.00 H new ATOM 0 HG2 ARG A 72 33.293 -12.942 -15.683 1.00 0.00 H new ATOM 0 HG3 ARG A 72 34.361 -14.263 -15.252 1.00 0.00 H new ATOM 0 HD2 ARG A 72 32.339 -15.808 -15.327 1.00 0.00 H new ATOM 0 HD3 ARG A 72 31.413 -14.465 -15.968 1.00 0.00 H new ATOM 0 HE ARG A 72 33.459 -14.477 -17.722 1.00 0.00 H new ATOM 0 HH11 ARG A 72 31.492 -17.113 -16.416 1.00 0.00 H new ATOM 0 HH12 ARG A 72 31.736 -18.143 -17.830 1.00 0.00 H new ATOM 0 HH21 ARG A 72 33.782 -15.800 -19.508 1.00 0.00 H new ATOM 0 HH22 ARG A 72 33.033 -17.399 -19.581 1.00 0.00 H new ATOM 1137 N LEU A 73 30.468 -14.127 -11.605 1.00 0.00 N ATOM 1138 CA LEU A 73 30.071 -14.232 -10.212 1.00 0.00 C ATOM 1139 C LEU A 73 30.768 -15.406 -9.539 1.00 0.00 C ATOM 1140 O LEU A 73 31.107 -16.399 -10.188 1.00 0.00 O ATOM 1141 CB LEU A 73 28.553 -14.391 -10.098 1.00 0.00 C ATOM 1142 CG LEU A 73 27.734 -13.222 -10.648 1.00 0.00 C ATOM 1143 CD1 LEU A 73 26.250 -13.507 -10.522 1.00 0.00 C ATOM 1144 CD2 LEU A 73 28.080 -11.935 -9.917 1.00 0.00 C ATOM 0 H LEU A 73 30.111 -14.871 -12.204 1.00 0.00 H new ATOM 0 HA LEU A 73 30.369 -13.314 -9.706 1.00 0.00 H new ATOM 0 HB2 LEU A 73 28.258 -15.300 -10.623 1.00 0.00 H new ATOM 0 HB3 LEU A 73 28.296 -14.532 -9.048 1.00 0.00 H new ATOM 0 HG LEU A 73 27.980 -13.102 -11.703 1.00 0.00 H new ATOM 0 HD11 LEU A 73 25.683 -12.665 -10.918 1.00 0.00 H new ATOM 0 HD12 LEU A 73 26.003 -14.407 -11.085 1.00 0.00 H new ATOM 0 HD13 LEU A 73 25.996 -13.654 -9.472 1.00 0.00 H new ATOM 0 HD21 LEU A 73 27.487 -11.115 -10.323 1.00 0.00 H new ATOM 0 HD22 LEU A 73 27.862 -12.050 -8.855 1.00 0.00 H new ATOM 0 HD23 LEU A 73 29.140 -11.716 -10.048 1.00 0.00 H new ATOM 1156 N LYS A 74 30.969 -15.289 -8.233 1.00 0.00 N ATOM 1157 CA LYS A 74 31.563 -16.365 -7.439 1.00 0.00 C ATOM 1158 C LYS A 74 30.535 -17.447 -7.140 1.00 0.00 C ATOM 1159 O LYS A 74 30.825 -18.400 -6.416 1.00 0.00 O ATOM 1160 CB LYS A 74 32.110 -15.814 -6.121 1.00 0.00 C ATOM 1161 CG LYS A 74 33.327 -14.915 -6.279 1.00 0.00 C ATOM 1162 CD LYS A 74 33.669 -14.202 -4.974 1.00 0.00 C ATOM 1163 CE LYS A 74 33.920 -15.178 -3.829 1.00 0.00 C ATOM 1164 NZ LYS A 74 35.107 -16.041 -4.067 1.00 0.00 N ATOM 0 H LYS A 74 30.729 -14.456 -7.695 1.00 0.00 H new ATOM 0 HA LYS A 74 32.378 -16.798 -8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 74 31.321 -15.254 -5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 74 32.371 -16.649 -5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 74 34.180 -15.510 -6.604 1.00 0.00 H new ATOM 0 HG3 LYS A 74 33.137 -14.177 -7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 74 34.554 -13.584 -5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 74 32.853 -13.531 -4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 74 34.061 -14.619 -2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 74 33.040 -15.806 -3.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 35.255 -16.662 -3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 34.950 -16.621 -4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 35.948 -15.445 -4.205 1.00 0.00 H new ATOM 1178 N GLU A 75 29.342 -17.287 -7.715 1.00 0.00 N ATOM 1179 CA GLU A 75 28.212 -18.171 -7.452 1.00 0.00 C ATOM 1180 C GLU A 75 27.862 -18.134 -5.964 1.00 0.00 C ATOM 1181 O GLU A 75 28.310 -18.970 -5.178 1.00 0.00 O ATOM 1182 CB GLU A 75 28.508 -19.592 -7.943 1.00 0.00 C ATOM 1183 CG GLU A 75 28.817 -19.646 -9.433 1.00 0.00 C ATOM 1184 CD GLU A 75 29.055 -21.051 -9.936 1.00 0.00 C ATOM 1185 OE1 GLU A 75 28.066 -21.764 -10.206 1.00 0.00 O ATOM 1186 OE2 GLU A 75 30.228 -21.446 -10.085 1.00 0.00 O ATOM 0 H GLU A 75 29.135 -16.539 -8.377 1.00 0.00 H new ATOM 0 HA GLU A 75 27.342 -17.821 -8.008 1.00 0.00 H new ATOM 0 HB2 GLU A 75 29.353 -19.996 -7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 75 27.651 -20.231 -7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 75 27.989 -19.203 -9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 75 29.698 -19.038 -9.638 1.00 0.00 H new ATOM 1193 N PRO A 76 27.050 -17.130 -5.578 1.00 0.00 N ATOM 1194 CA PRO A 76 26.806 -16.771 -4.171 1.00 0.00 C ATOM 1195 C PRO A 76 26.198 -17.892 -3.330 1.00 0.00 C ATOM 1196 O PRO A 76 26.549 -18.050 -2.157 1.00 0.00 O ATOM 1197 CB PRO A 76 25.831 -15.588 -4.258 1.00 0.00 C ATOM 1198 CG PRO A 76 25.222 -15.685 -5.614 1.00 0.00 C ATOM 1199 CD PRO A 76 26.290 -16.263 -6.497 1.00 0.00 C ATOM 0 HA PRO A 76 27.747 -16.546 -3.670 1.00 0.00 H new ATOM 0 HB2 PRO A 76 25.070 -15.646 -3.479 1.00 0.00 H new ATOM 0 HB3 PRO A 76 26.350 -14.639 -4.126 1.00 0.00 H new ATOM 0 HG2 PRO A 76 24.337 -16.321 -5.601 1.00 0.00 H new ATOM 0 HG3 PRO A 76 24.905 -14.706 -5.972 1.00 0.00 H new ATOM 0 HD2 PRO A 76 25.865 -16.829 -7.326 1.00 0.00 H new ATOM 0 HD3 PRO A 76 26.919 -15.486 -6.931 1.00 0.00 H new ATOM 1207 N GLU A 77 25.291 -18.664 -3.912 1.00 0.00 N ATOM 1208 CA GLU A 77 24.611 -19.702 -3.159 1.00 0.00 C ATOM 1209 C GLU A 77 25.368 -21.014 -3.240 1.00 0.00 C ATOM 1210 O GLU A 77 25.175 -21.814 -4.157 1.00 0.00 O ATOM 1211 CB GLU A 77 23.171 -19.879 -3.635 1.00 0.00 C ATOM 1212 CG GLU A 77 22.292 -18.673 -3.354 1.00 0.00 C ATOM 1213 CD GLU A 77 20.826 -18.963 -3.583 1.00 0.00 C ATOM 1214 OE1 GLU A 77 20.150 -19.404 -2.630 1.00 0.00 O ATOM 1215 OE2 GLU A 77 20.344 -18.756 -4.713 1.00 0.00 O ATOM 0 H GLU A 77 25.013 -18.591 -4.891 1.00 0.00 H new ATOM 0 HA GLU A 77 24.582 -19.388 -2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 77 23.172 -20.077 -4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 77 22.740 -20.755 -3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 77 22.439 -18.352 -2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 77 22.600 -17.845 -3.993 1.00 0.00 H new ATOM 1222 N ARG A 78 26.259 -21.213 -2.288 1.00 0.00 N ATOM 1223 CA ARG A 78 26.994 -22.459 -2.183 1.00 0.00 C ATOM 1224 C ARG A 78 26.373 -23.323 -1.095 1.00 0.00 C ATOM 1225 O ARG A 78 25.741 -22.810 -0.169 1.00 0.00 O ATOM 1226 CB ARG A 78 28.475 -22.196 -1.876 1.00 0.00 C ATOM 1227 CG ARG A 78 28.725 -21.594 -0.500 1.00 0.00 C ATOM 1228 CD ARG A 78 30.212 -21.480 -0.196 1.00 0.00 C ATOM 1229 NE ARG A 78 30.874 -20.455 -1.002 1.00 0.00 N ATOM 1230 CZ ARG A 78 31.868 -20.701 -1.856 1.00 0.00 C ATOM 1231 NH1 ARG A 78 32.263 -21.950 -2.083 1.00 0.00 N ATOM 1232 NH2 ARG A 78 32.453 -19.694 -2.488 1.00 0.00 N ATOM 0 H ARG A 78 26.492 -20.524 -1.573 1.00 0.00 H new ATOM 0 HA ARG A 78 26.937 -22.983 -3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 78 29.024 -23.134 -1.956 1.00 0.00 H new ATOM 0 HB3 ARG A 78 28.879 -21.525 -2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 78 28.266 -20.607 -0.446 1.00 0.00 H new ATOM 0 HG3 ARG A 78 28.245 -22.211 0.260 1.00 0.00 H new ATOM 0 HD2 ARG A 78 30.346 -21.249 0.861 1.00 0.00 H new ATOM 0 HD3 ARG A 78 30.691 -22.443 -0.375 1.00 0.00 H new ATOM 0 HE ARG A 78 30.555 -19.491 -0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 78 31.805 -22.725 -1.603 1.00 0.00 H new ATOM 0 HH12 ARG A 78 33.024 -22.133 -2.737 1.00 0.00 H new ATOM 0 HH21 ARG A 78 32.142 -18.737 -2.320 1.00 0.00 H new ATOM 0 HH22 ARG A 78 33.214 -19.876 -3.142 1.00 0.00 H new ATOM 1246 N GLU A 79 26.540 -24.625 -1.208 1.00 0.00 N ATOM 1247 CA GLU A 79 25.993 -25.537 -0.226 1.00 0.00 C ATOM 1248 C GLU A 79 26.959 -25.657 0.940 1.00 0.00 C ATOM 1249 O GLU A 79 28.177 -25.676 0.744 1.00 0.00 O ATOM 1250 CB GLU A 79 25.731 -26.905 -0.857 1.00 0.00 C ATOM 1251 CG GLU A 79 24.836 -27.792 -0.016 1.00 0.00 C ATOM 1252 CD GLU A 79 23.520 -27.116 0.316 1.00 0.00 C ATOM 1253 OE1 GLU A 79 22.654 -27.017 -0.579 1.00 0.00 O ATOM 1254 OE2 GLU A 79 23.343 -26.680 1.470 1.00 0.00 O ATOM 0 H GLU A 79 27.049 -25.074 -1.969 1.00 0.00 H new ATOM 0 HA GLU A 79 25.042 -25.149 0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.274 -26.764 -1.836 1.00 0.00 H new ATOM 0 HB3 GLU A 79 26.683 -27.411 -1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 79 24.642 -28.722 -0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 79 25.351 -28.056 0.907 1.00 0.00 H new ATOM 1261 N ASN A 80 26.425 -25.709 2.150 1.00 0.00 N ATOM 1262 CA ASN A 80 27.261 -25.774 3.340 1.00 0.00 C ATOM 1263 C ASN A 80 28.001 -27.102 3.395 1.00 0.00 C ATOM 1264 O ASN A 80 27.438 -28.161 3.121 1.00 0.00 O ATOM 1265 CB ASN A 80 26.445 -25.540 4.622 1.00 0.00 C ATOM 1266 CG ASN A 80 25.282 -26.500 4.790 1.00 0.00 C ATOM 1267 OD1 ASN A 80 25.428 -27.580 5.365 1.00 0.00 O ATOM 1268 ND2 ASN A 80 24.113 -26.104 4.312 1.00 0.00 N ATOM 0 H ASN A 80 25.422 -25.708 2.335 1.00 0.00 H new ATOM 0 HA ASN A 80 27.996 -24.971 3.278 1.00 0.00 H new ATOM 0 HB2 ASN A 80 27.106 -25.630 5.484 1.00 0.00 H new ATOM 0 HB3 ASN A 80 26.064 -24.519 4.618 1.00 0.00 H new ATOM 0 HD21 ASN A 80 23.292 -26.701 4.414 1.00 0.00 H new ATOM 0 HD22 ASN A 80 24.033 -25.202 3.842 1.00 0.00 H new ATOM 1275 N ARG A 81 29.280 -27.029 3.715 1.00 0.00 N ATOM 1276 CA ARG A 81 30.139 -28.199 3.701 1.00 0.00 C ATOM 1277 C ARG A 81 30.227 -28.810 5.092 1.00 0.00 C ATOM 1278 O ARG A 81 30.777 -28.206 6.013 1.00 0.00 O ATOM 1279 CB ARG A 81 31.530 -27.811 3.190 1.00 0.00 C ATOM 1280 CG ARG A 81 31.501 -27.171 1.810 1.00 0.00 C ATOM 1281 CD ARG A 81 32.879 -26.698 1.372 1.00 0.00 C ATOM 1282 NE ARG A 81 32.838 -26.065 0.053 1.00 0.00 N ATOM 1283 CZ ARG A 81 33.827 -25.335 -0.460 1.00 0.00 C ATOM 1284 NH1 ARG A 81 34.934 -25.121 0.243 1.00 0.00 N ATOM 1285 NH2 ARG A 81 33.712 -24.817 -1.677 1.00 0.00 N ATOM 0 H ARG A 81 29.749 -26.166 3.989 1.00 0.00 H new ATOM 0 HA ARG A 81 29.714 -28.946 3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 81 31.990 -27.119 3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 81 32.160 -28.700 3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 81 31.117 -27.889 1.085 1.00 0.00 H new ATOM 0 HG3 ARG A 81 30.813 -26.326 1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 81 33.271 -25.991 2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 81 33.564 -27.545 1.348 1.00 0.00 H new ATOM 0 HE ARG A 81 31.997 -26.191 -0.510 1.00 0.00 H new ATOM 0 HH11 ARG A 81 35.028 -25.516 1.179 1.00 0.00 H new ATOM 0 HH12 ARG A 81 35.689 -24.562 -0.153 1.00 0.00 H new ATOM 0 HH21 ARG A 81 32.865 -24.978 -2.222 1.00 0.00 H new ATOM 0 HH22 ARG A 81 34.471 -24.258 -2.067 1.00 0.00 H new ATOM 1299 N GLU A 82 29.663 -29.998 5.242 1.00 0.00 N ATOM 1300 CA GLU A 82 29.655 -30.683 6.528 1.00 0.00 C ATOM 1301 C GLU A 82 30.806 -31.674 6.617 1.00 0.00 C ATOM 1302 O GLU A 82 30.844 -32.525 7.506 1.00 0.00 O ATOM 1303 CB GLU A 82 28.323 -31.400 6.735 1.00 0.00 C ATOM 1304 CG GLU A 82 27.122 -30.477 6.651 1.00 0.00 C ATOM 1305 CD GLU A 82 25.842 -31.173 7.047 1.00 0.00 C ATOM 1306 OE1 GLU A 82 25.207 -31.805 6.177 1.00 0.00 O ATOM 1307 OE2 GLU A 82 25.471 -31.103 8.237 1.00 0.00 O ATOM 0 H GLU A 82 29.204 -30.510 4.489 1.00 0.00 H new ATOM 0 HA GLU A 82 29.781 -29.939 7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 82 28.221 -32.185 5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 82 28.329 -31.888 7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 82 27.281 -29.616 7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.028 -30.097 5.634 1.00 0.00 H new ATOM 1314 N LEU A 83 31.747 -31.555 5.690 1.00 0.00 N ATOM 1315 CA LEU A 83 32.948 -32.368 5.726 1.00 0.00 C ATOM 1316 C LEU A 83 33.870 -31.852 6.823 1.00 0.00 C ATOM 1317 O LEU A 83 34.681 -30.950 6.604 1.00 0.00 O ATOM 1318 CB LEU A 83 33.657 -32.350 4.370 1.00 0.00 C ATOM 1319 CG LEU A 83 32.850 -32.941 3.211 1.00 0.00 C ATOM 1320 CD1 LEU A 83 33.629 -32.826 1.912 1.00 0.00 C ATOM 1321 CD2 LEU A 83 32.495 -34.394 3.492 1.00 0.00 C ATOM 0 H LEU A 83 31.699 -30.904 4.907 1.00 0.00 H new ATOM 0 HA LEU A 83 32.675 -33.401 5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 83 33.915 -31.320 4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 83 34.594 -32.901 4.459 1.00 0.00 H new ATOM 0 HG LEU A 83 31.924 -32.375 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 83 33.042 -33.250 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 83 33.835 -31.776 1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 83 34.570 -33.369 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 83 31.922 -34.796 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 83 33.409 -34.974 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 83 31.900 -34.453 4.403 1.00 0.00 H new ATOM 1333 N ARG A 84 33.700 -32.401 8.013 1.00 0.00 N ATOM 1334 CA ARG A 84 34.404 -31.923 9.190 1.00 0.00 C ATOM 1335 C ARG A 84 35.672 -32.731 9.437 1.00 0.00 C ATOM 1336 O ARG A 84 35.710 -33.942 9.214 1.00 0.00 O ATOM 1337 CB ARG A 84 33.472 -31.995 10.401 1.00 0.00 C ATOM 1338 CG ARG A 84 32.908 -33.385 10.641 1.00 0.00 C ATOM 1339 CD ARG A 84 31.792 -33.376 11.671 1.00 0.00 C ATOM 1340 NE ARG A 84 30.647 -32.564 11.249 1.00 0.00 N ATOM 1341 CZ ARG A 84 29.611 -33.041 10.553 1.00 0.00 C ATOM 1342 NH1 ARG A 84 29.624 -34.295 10.116 1.00 0.00 N ATOM 1343 NH2 ARG A 84 28.575 -32.258 10.271 1.00 0.00 N ATOM 0 H ARG A 84 33.074 -33.186 8.190 1.00 0.00 H new ATOM 0 HA ARG A 84 34.703 -30.888 9.026 1.00 0.00 H new ATOM 0 HB2 ARG A 84 34.015 -31.672 11.289 1.00 0.00 H new ATOM 0 HB3 ARG A 84 32.648 -31.295 10.259 1.00 0.00 H new ATOM 0 HG2 ARG A 84 32.531 -33.791 9.702 1.00 0.00 H new ATOM 0 HG3 ARG A 84 33.706 -34.047 10.977 1.00 0.00 H new ATOM 0 HD2 ARG A 84 31.461 -34.399 11.853 1.00 0.00 H new ATOM 0 HD3 ARG A 84 32.177 -32.993 12.616 1.00 0.00 H new ATOM 0 HE ARG A 84 30.641 -31.576 11.502 1.00 0.00 H new ATOM 0 HH11 ARG A 84 30.425 -34.895 10.312 1.00 0.00 H new ATOM 0 HH12 ARG A 84 28.833 -34.658 9.585 1.00 0.00 H new ATOM 0 HH21 ARG A 84 28.568 -31.288 10.586 1.00 0.00 H new ATOM 0 HH22 ARG A 84 27.787 -32.627 9.739 1.00 0.00 H new ATOM 1357 N ARG A 85 36.714 -32.046 9.882 1.00 0.00 N ATOM 1358 CA ARG A 85 37.986 -32.685 10.186 1.00 0.00 C ATOM 1359 C ARG A 85 38.779 -31.800 11.135 1.00 0.00 C ATOM 1360 O ARG A 85 39.048 -32.169 12.279 1.00 0.00 O ATOM 1361 CB ARG A 85 38.770 -32.939 8.894 1.00 0.00 C ATOM 1362 CG ARG A 85 40.053 -33.731 9.091 1.00 0.00 C ATOM 1363 CD ARG A 85 40.610 -34.212 7.760 1.00 0.00 C ATOM 1364 NE ARG A 85 39.667 -35.087 7.065 1.00 0.00 N ATOM 1365 CZ ARG A 85 39.684 -35.319 5.755 1.00 0.00 C ATOM 1366 NH1 ARG A 85 40.617 -34.766 4.987 1.00 0.00 N ATOM 1367 NH2 ARG A 85 38.773 -36.119 5.216 1.00 0.00 N ATOM 0 H ARG A 85 36.703 -31.039 10.042 1.00 0.00 H new ATOM 0 HA ARG A 85 37.807 -33.647 10.667 1.00 0.00 H new ATOM 0 HB2 ARG A 85 38.130 -33.474 8.193 1.00 0.00 H new ATOM 0 HB3 ARG A 85 39.014 -31.981 8.436 1.00 0.00 H new ATOM 0 HG2 ARG A 85 40.793 -33.110 9.595 1.00 0.00 H new ATOM 0 HG3 ARG A 85 39.860 -34.586 9.738 1.00 0.00 H new ATOM 0 HD2 ARG A 85 40.842 -33.353 7.130 1.00 0.00 H new ATOM 0 HD3 ARG A 85 41.546 -34.745 7.928 1.00 0.00 H new ATOM 0 HE ARG A 85 38.948 -35.550 7.621 1.00 0.00 H new ATOM 0 HH11 ARG A 85 41.325 -34.160 5.401 1.00 0.00 H new ATOM 0 HH12 ARG A 85 40.625 -34.948 3.983 1.00 0.00 H new ATOM 0 HH21 ARG A 85 38.063 -36.554 5.806 1.00 0.00 H new ATOM 0 HH22 ARG A 85 38.783 -36.299 4.212 1.00 0.00 H new ATOM 1381 N SER A 86 39.130 -30.620 10.660 1.00 0.00 N ATOM 1382 CA SER A 86 39.794 -29.633 11.485 1.00 0.00 C ATOM 1383 C SER A 86 39.101 -28.288 11.301 1.00 0.00 C ATOM 1384 O SER A 86 39.517 -27.462 10.490 1.00 0.00 O ATOM 1385 CB SER A 86 41.280 -29.539 11.126 1.00 0.00 C ATOM 1386 OG SER A 86 42.000 -28.785 12.088 1.00 0.00 O ATOM 0 H SER A 86 38.964 -30.322 9.699 1.00 0.00 H new ATOM 0 HA SER A 86 39.730 -29.930 12.532 1.00 0.00 H new ATOM 0 HB2 SER A 86 41.703 -30.541 11.057 1.00 0.00 H new ATOM 0 HB3 SER A 86 41.390 -29.078 10.144 1.00 0.00 H new ATOM 0 HG SER A 86 42.945 -28.745 11.832 1.00 0.00 H new ATOM 1392 N ASN A 87 38.009 -28.099 12.027 1.00 0.00 N ATOM 1393 CA ASN A 87 37.220 -26.877 11.919 1.00 0.00 C ATOM 1394 C ASN A 87 37.473 -25.993 13.129 1.00 0.00 C ATOM 1395 O ASN A 87 36.780 -25.001 13.347 1.00 0.00 O ATOM 1396 CB ASN A 87 35.717 -27.184 11.810 1.00 0.00 C ATOM 1397 CG ASN A 87 35.345 -28.032 10.600 1.00 0.00 C ATOM 1398 OD1 ASN A 87 36.055 -28.967 10.220 1.00 0.00 O ATOM 1399 ND2 ASN A 87 34.228 -27.698 9.974 1.00 0.00 N ATOM 0 H ASN A 87 37.647 -28.776 12.699 1.00 0.00 H new ATOM 0 HA ASN A 87 37.527 -26.359 11.010 1.00 0.00 H new ATOM 0 HB2 ASN A 87 35.395 -27.699 12.715 1.00 0.00 H new ATOM 0 HB3 ASN A 87 35.167 -26.244 11.765 1.00 0.00 H new ATOM 0 HD21 ASN A 87 33.930 -28.220 9.150 1.00 0.00 H new ATOM 0 HD22 ASN A 87 33.665 -26.919 10.316 1.00 0.00 H new ATOM 1406 N ASP A 88 38.500 -26.346 13.892 1.00 0.00 N ATOM 1407 CA ASP A 88 38.831 -25.647 15.132 1.00 0.00 C ATOM 1408 C ASP A 88 39.641 -24.384 14.856 1.00 0.00 C ATOM 1409 O ASP A 88 40.513 -24.017 15.646 1.00 0.00 O ATOM 1410 CB ASP A 88 39.626 -26.568 16.060 1.00 0.00 C ATOM 1411 CG ASP A 88 38.836 -27.783 16.497 1.00 0.00 C ATOM 1412 OD1 ASP A 88 38.064 -27.677 17.474 1.00 0.00 O ATOM 1413 OD2 ASP A 88 38.974 -28.854 15.867 1.00 0.00 O ATOM 0 H ASP A 88 39.126 -27.121 13.672 1.00 0.00 H new ATOM 0 HA ASP A 88 37.895 -25.360 15.612 1.00 0.00 H new ATOM 0 HB2 ASP A 88 40.533 -26.894 15.551 1.00 0.00 H new ATOM 0 HB3 ASP A 88 39.938 -26.007 16.941 1.00 0.00 H new ATOM 1418 N ILE A 89 39.317 -23.712 13.754 1.00 0.00 N ATOM 1419 CA ILE A 89 40.012 -22.500 13.328 1.00 0.00 C ATOM 1420 C ILE A 89 41.439 -22.816 12.890 1.00 0.00 C ATOM 1421 O ILE A 89 42.316 -23.069 13.718 1.00 0.00 O ATOM 1422 CB ILE A 89 40.040 -21.418 14.434 1.00 0.00 C ATOM 1423 CG1 ILE A 89 38.613 -21.059 14.858 1.00 0.00 C ATOM 1424 CG2 ILE A 89 40.784 -20.178 13.950 1.00 0.00 C ATOM 1425 CD1 ILE A 89 38.541 -20.075 16.005 1.00 0.00 C ATOM 0 H ILE A 89 38.562 -23.994 13.129 1.00 0.00 H new ATOM 0 HA ILE A 89 39.451 -22.103 12.482 1.00 0.00 H new ATOM 0 HB ILE A 89 40.569 -21.817 15.299 1.00 0.00 H new ATOM 0 HG12 ILE A 89 38.084 -20.642 14.001 1.00 0.00 H new ATOM 0 HG13 ILE A 89 38.089 -21.972 15.142 1.00 0.00 H new ATOM 0 HG21 ILE A 89 40.794 -19.428 14.741 1.00 0.00 H new ATOM 0 HG22 ILE A 89 41.808 -20.446 13.692 1.00 0.00 H new ATOM 0 HG23 ILE A 89 40.282 -19.773 13.071 1.00 0.00 H new ATOM 0 HD11 ILE A 89 37.497 -19.872 16.245 1.00 0.00 H new ATOM 0 HD12 ILE A 89 39.039 -20.497 16.878 1.00 0.00 H new ATOM 0 HD13 ILE A 89 39.035 -19.146 15.719 1.00 0.00 H new ATOM 1437 N LEU A 90 41.663 -22.809 11.584 1.00 0.00 N ATOM 1438 CA LEU A 90 42.988 -23.072 11.039 1.00 0.00 C ATOM 1439 C LEU A 90 43.947 -21.953 11.427 1.00 0.00 C ATOM 1440 O LEU A 90 43.887 -20.851 10.878 1.00 0.00 O ATOM 1441 CB LEU A 90 42.946 -23.224 9.510 1.00 0.00 C ATOM 1442 CG LEU A 90 42.225 -24.471 8.977 1.00 0.00 C ATOM 1443 CD1 LEU A 90 40.719 -24.353 9.136 1.00 0.00 C ATOM 1444 CD2 LEU A 90 42.582 -24.705 7.520 1.00 0.00 C ATOM 0 H LEU A 90 40.946 -22.624 10.882 1.00 0.00 H new ATOM 0 HA LEU A 90 43.343 -24.012 11.461 1.00 0.00 H new ATOM 0 HB2 LEU A 90 42.463 -22.342 9.090 1.00 0.00 H new ATOM 0 HB3 LEU A 90 43.970 -23.234 9.137 1.00 0.00 H new ATOM 0 HG LEU A 90 42.558 -25.325 9.567 1.00 0.00 H new ATOM 0 HD11 LEU A 90 40.241 -25.253 8.749 1.00 0.00 H new ATOM 0 HD12 LEU A 90 40.473 -24.237 10.191 1.00 0.00 H new ATOM 0 HD13 LEU A 90 40.362 -23.485 8.582 1.00 0.00 H new ATOM 0 HD21 LEU A 90 42.064 -25.592 7.156 1.00 0.00 H new ATOM 0 HD22 LEU A 90 42.281 -23.841 6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 90 43.658 -24.851 7.428 1.00 0.00 H new ATOM 1456 N ARG A 91 44.812 -22.242 12.381 1.00 0.00 N ATOM 1457 CA ARG A 91 45.743 -21.255 12.894 1.00 0.00 C ATOM 1458 C ARG A 91 47.163 -21.799 12.796 1.00 0.00 C ATOM 1459 O ARG A 91 47.355 -22.984 12.516 1.00 0.00 O ATOM 1460 CB ARG A 91 45.384 -20.928 14.349 1.00 0.00 C ATOM 1461 CG ARG A 91 45.967 -19.621 14.862 1.00 0.00 C ATOM 1462 CD ARG A 91 45.501 -19.335 16.279 1.00 0.00 C ATOM 1463 NE ARG A 91 45.844 -17.982 16.710 1.00 0.00 N ATOM 1464 CZ ARG A 91 45.296 -17.372 17.759 1.00 0.00 C ATOM 1465 NH1 ARG A 91 44.417 -18.010 18.523 1.00 0.00 N ATOM 1466 NH2 ARG A 91 45.632 -16.125 18.053 1.00 0.00 N ATOM 0 H ARG A 91 44.889 -23.160 12.819 1.00 0.00 H new ATOM 0 HA ARG A 91 45.681 -20.340 12.305 1.00 0.00 H new ATOM 0 HB2 ARG A 91 44.299 -20.889 14.443 1.00 0.00 H new ATOM 0 HB3 ARG A 91 45.730 -21.741 14.987 1.00 0.00 H new ATOM 0 HG2 ARG A 91 47.056 -19.670 14.836 1.00 0.00 H new ATOM 0 HG3 ARG A 91 45.669 -18.803 14.206 1.00 0.00 H new ATOM 0 HD2 ARG A 91 44.421 -19.471 16.339 1.00 0.00 H new ATOM 0 HD3 ARG A 91 45.951 -20.057 16.960 1.00 0.00 H new ATOM 0 HE ARG A 91 46.547 -17.473 16.174 1.00 0.00 H new ATOM 0 HH11 ARG A 91 44.158 -18.973 18.308 1.00 0.00 H new ATOM 0 HH12 ARG A 91 44.001 -17.537 19.325 1.00 0.00 H new ATOM 0 HH21 ARG A 91 46.312 -15.630 17.475 1.00 0.00 H new ATOM 0 HH22 ARG A 91 45.211 -15.659 18.857 1.00 0.00 H new ATOM 1480 N LEU A 92 48.148 -20.935 13.007 1.00 0.00 N ATOM 1481 CA LEU A 92 49.550 -21.338 12.995 1.00 0.00 C ATOM 1482 C LEU A 92 49.786 -22.526 13.926 1.00 0.00 C ATOM 1483 O LEU A 92 49.343 -22.514 15.077 1.00 0.00 O ATOM 1484 CB LEU A 92 50.437 -20.163 13.416 1.00 0.00 C ATOM 1485 CG LEU A 92 51.940 -20.451 13.426 1.00 0.00 C ATOM 1486 CD1 LEU A 92 52.431 -20.783 12.028 1.00 0.00 C ATOM 1487 CD2 LEU A 92 52.707 -19.270 13.999 1.00 0.00 C ATOM 0 H LEU A 92 48.000 -19.942 13.190 1.00 0.00 H new ATOM 0 HA LEU A 92 49.808 -21.640 11.980 1.00 0.00 H new ATOM 0 HB2 LEU A 92 50.248 -19.327 12.743 1.00 0.00 H new ATOM 0 HB3 LEU A 92 50.138 -19.843 14.414 1.00 0.00 H new ATOM 0 HG LEU A 92 52.119 -21.316 14.064 1.00 0.00 H new ATOM 0 HD11 LEU A 92 53.502 -20.984 12.057 1.00 0.00 H new ATOM 0 HD12 LEU A 92 51.906 -21.663 11.657 1.00 0.00 H new ATOM 0 HD13 LEU A 92 52.238 -19.940 11.365 1.00 0.00 H new ATOM 0 HD21 LEU A 92 53.774 -19.494 13.998 1.00 0.00 H new ATOM 0 HD22 LEU A 92 52.521 -18.385 13.390 1.00 0.00 H new ATOM 0 HD23 LEU A 92 52.377 -19.083 15.021 1.00 0.00 H new ATOM 1499 N ALA A 93 50.445 -23.561 13.387 1.00 0.00 N ATOM 1500 CA ALA A 93 50.794 -24.781 14.130 1.00 0.00 C ATOM 1501 C ALA A 93 49.588 -25.701 14.315 1.00 0.00 C ATOM 1502 O ALA A 93 49.718 -26.815 14.825 1.00 0.00 O ATOM 1503 CB ALA A 93 51.438 -24.457 15.474 1.00 0.00 C ATOM 0 H ALA A 93 50.754 -23.576 12.415 1.00 0.00 H new ATOM 0 HA ALA A 93 51.528 -25.315 13.527 1.00 0.00 H new ATOM 0 HB1 ALA A 93 51.682 -25.384 15.994 1.00 0.00 H new ATOM 0 HB2 ALA A 93 52.349 -23.882 15.311 1.00 0.00 H new ATOM 0 HB3 ALA A 93 50.744 -23.874 16.079 1.00 0.00 H new ATOM 1509 N SER A 94 48.420 -25.244 13.891 1.00 0.00 N ATOM 1510 CA SER A 94 47.214 -26.052 13.967 1.00 0.00 C ATOM 1511 C SER A 94 46.740 -26.429 12.569 1.00 0.00 C ATOM 1512 O SER A 94 46.098 -27.465 12.379 1.00 0.00 O ATOM 1513 CB SER A 94 46.110 -25.296 14.713 1.00 0.00 C ATOM 1514 OG SER A 94 44.937 -26.087 14.837 1.00 0.00 O ATOM 0 H SER A 94 48.282 -24.316 13.490 1.00 0.00 H new ATOM 0 HA SER A 94 47.444 -26.965 14.517 1.00 0.00 H new ATOM 0 HB2 SER A 94 46.466 -25.012 15.703 1.00 0.00 H new ATOM 0 HB3 SER A 94 45.875 -24.374 14.182 1.00 0.00 H new ATOM 0 HG SER A 94 44.250 -25.580 15.318 1.00 0.00 H new ATOM 1520 N ALA A 95 47.056 -25.585 11.595 1.00 0.00 N ATOM 1521 CA ALA A 95 46.663 -25.831 10.220 1.00 0.00 C ATOM 1522 C ALA A 95 47.556 -26.890 9.590 1.00 0.00 C ATOM 1523 O ALA A 95 48.726 -26.628 9.302 1.00 0.00 O ATOM 1524 CB ALA A 95 46.712 -24.546 9.411 1.00 0.00 C ATOM 0 H ALA A 95 47.584 -24.724 11.736 1.00 0.00 H new ATOM 0 HA ALA A 95 45.637 -26.199 10.219 1.00 0.00 H new ATOM 0 HB1 ALA A 95 46.414 -24.752 8.383 1.00 0.00 H new ATOM 0 HB2 ALA A 95 46.031 -23.815 9.847 1.00 0.00 H new ATOM 0 HB3 ALA A 95 47.727 -24.148 9.422 1.00 0.00 H new ATOM 1530 N TYR A 96 46.991 -28.083 9.410 1.00 0.00 N ATOM 1531 CA TYR A 96 47.680 -29.217 8.786 1.00 0.00 C ATOM 1532 C TYR A 96 48.715 -29.838 9.718 1.00 0.00 C ATOM 1533 O TYR A 96 49.742 -29.237 10.031 1.00 0.00 O ATOM 1534 CB TYR A 96 48.339 -28.824 7.456 1.00 0.00 C ATOM 1535 CG TYR A 96 47.350 -28.442 6.379 1.00 0.00 C ATOM 1536 CD1 TYR A 96 46.644 -29.415 5.682 1.00 0.00 C ATOM 1537 CD2 TYR A 96 47.116 -27.111 6.066 1.00 0.00 C ATOM 1538 CE1 TYR A 96 45.736 -29.070 4.702 1.00 0.00 C ATOM 1539 CE2 TYR A 96 46.209 -26.759 5.088 1.00 0.00 C ATOM 1540 CZ TYR A 96 45.521 -27.742 4.410 1.00 0.00 C ATOM 1541 OH TYR A 96 44.618 -27.392 3.432 1.00 0.00 O ATOM 0 H TYR A 96 46.034 -28.294 9.695 1.00 0.00 H new ATOM 0 HA TYR A 96 46.913 -29.964 8.581 1.00 0.00 H new ATOM 0 HB2 TYR A 96 49.016 -27.987 7.629 1.00 0.00 H new ATOM 0 HB3 TYR A 96 48.946 -29.657 7.101 1.00 0.00 H new ATOM 0 HD1 TYR A 96 46.809 -30.458 5.911 1.00 0.00 H new ATOM 0 HD2 TYR A 96 47.652 -26.338 6.596 1.00 0.00 H new ATOM 0 HE1 TYR A 96 45.197 -29.838 4.167 1.00 0.00 H new ATOM 0 HE2 TYR A 96 46.039 -25.718 4.855 1.00 0.00 H new ATOM 0 HH TYR A 96 44.585 -26.416 3.352 1.00 0.00 H new ATOM 1551 N PHE A 97 48.424 -31.053 10.156 1.00 0.00 N ATOM 1552 CA PHE A 97 49.351 -31.813 10.979 1.00 0.00 C ATOM 1553 C PHE A 97 50.279 -32.624 10.079 1.00 0.00 C ATOM 1554 O PHE A 97 50.003 -32.793 8.888 1.00 0.00 O ATOM 1555 CB PHE A 97 48.588 -32.744 11.927 1.00 0.00 C ATOM 1556 CG PHE A 97 47.588 -32.034 12.797 1.00 0.00 C ATOM 1557 CD1 PHE A 97 48.007 -31.297 13.893 1.00 0.00 C ATOM 1558 CD2 PHE A 97 46.231 -32.109 12.524 1.00 0.00 C ATOM 1559 CE1 PHE A 97 47.095 -30.645 14.700 1.00 0.00 C ATOM 1560 CE2 PHE A 97 45.313 -31.459 13.328 1.00 0.00 C ATOM 1561 CZ PHE A 97 45.746 -30.728 14.417 1.00 0.00 C ATOM 0 H PHE A 97 47.548 -31.536 9.954 1.00 0.00 H new ATOM 0 HA PHE A 97 49.942 -31.122 11.581 1.00 0.00 H new ATOM 0 HB2 PHE A 97 48.071 -33.502 11.339 1.00 0.00 H new ATOM 0 HB3 PHE A 97 49.303 -33.266 12.563 1.00 0.00 H new ATOM 0 HD1 PHE A 97 49.061 -31.231 14.119 1.00 0.00 H new ATOM 0 HD2 PHE A 97 45.887 -32.681 11.675 1.00 0.00 H new ATOM 0 HE1 PHE A 97 47.436 -30.072 15.550 1.00 0.00 H new ATOM 0 HE2 PHE A 97 44.258 -31.523 13.105 1.00 0.00 H new ATOM 0 HZ PHE A 97 45.030 -30.222 15.047 1.00 0.00 H new ATOM 1571 N ALA A 98 51.371 -33.115 10.638 1.00 0.00 N ATOM 1572 CA ALA A 98 52.330 -33.894 9.871 1.00 0.00 C ATOM 1573 C ALA A 98 52.379 -35.330 10.371 1.00 0.00 C ATOM 1574 O ALA A 98 52.206 -35.585 11.568 1.00 0.00 O ATOM 1575 CB ALA A 98 53.705 -33.255 9.952 1.00 0.00 C ATOM 0 H ALA A 98 51.617 -32.989 11.620 1.00 0.00 H new ATOM 0 HA ALA A 98 52.011 -33.908 8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 98 54.416 -33.846 9.374 1.00 0.00 H new ATOM 0 HB2 ALA A 98 53.661 -32.244 9.547 1.00 0.00 H new ATOM 0 HB3 ALA A 98 54.027 -33.216 10.993 1.00 0.00 H new ATOM 1581 N LYS A 99 52.602 -36.266 9.464 1.00 0.00 N ATOM 1582 CA LYS A 99 52.694 -37.666 9.835 1.00 0.00 C ATOM 1583 C LYS A 99 54.083 -37.997 10.359 1.00 0.00 C ATOM 1584 O LYS A 99 54.989 -38.320 9.592 1.00 0.00 O ATOM 1585 CB LYS A 99 52.364 -38.583 8.655 1.00 0.00 C ATOM 1586 CG LYS A 99 50.923 -38.501 8.182 1.00 0.00 C ATOM 1587 CD LYS A 99 50.608 -39.623 7.204 1.00 0.00 C ATOM 1588 CE LYS A 99 49.165 -39.571 6.739 1.00 0.00 C ATOM 1589 NZ LYS A 99 48.792 -40.786 5.966 1.00 0.00 N ATOM 0 H LYS A 99 52.722 -36.082 8.468 1.00 0.00 H new ATOM 0 HA LYS A 99 51.961 -37.837 10.623 1.00 0.00 H new ATOM 0 HB2 LYS A 99 53.022 -38.335 7.822 1.00 0.00 H new ATOM 0 HB3 LYS A 99 52.583 -39.613 8.938 1.00 0.00 H new ATOM 0 HG2 LYS A 99 50.251 -38.560 9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 99 50.747 -37.537 7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 99 51.271 -39.552 6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 99 50.804 -40.585 7.678 1.00 0.00 H new ATOM 0 HE2 LYS A 99 48.508 -39.473 7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 99 49.013 -38.686 6.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 47.799 -40.715 5.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 49.403 -40.866 5.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 48.913 -41.628 6.564 1.00 0.00 H new ATOM 1603 N ALA A 100 54.259 -37.878 11.662 1.00 0.00 N ATOM 1604 CA ALA A 100 55.492 -38.306 12.299 1.00 0.00 C ATOM 1605 C ALA A 100 55.458 -39.813 12.494 1.00 0.00 C ATOM 1606 O ALA A 100 56.492 -40.483 12.467 1.00 0.00 O ATOM 1607 CB ALA A 100 55.688 -37.592 13.627 1.00 0.00 C ATOM 0 H ALA A 100 53.565 -37.489 12.300 1.00 0.00 H new ATOM 0 HA ALA A 100 56.336 -38.048 11.659 1.00 0.00 H new ATOM 0 HB1 ALA A 100 56.617 -37.928 14.087 1.00 0.00 H new ATOM 0 HB2 ALA A 100 55.734 -36.516 13.458 1.00 0.00 H new ATOM 0 HB3 ALA A 100 54.853 -37.820 14.289 1.00 0.00 H new ATOM 1613 N GLU A 101 54.243 -40.329 12.680 1.00 0.00 N ATOM 1614 CA GLU A 101 53.994 -41.757 12.839 1.00 0.00 C ATOM 1615 C GLU A 101 54.674 -42.291 14.101 1.00 0.00 C ATOM 1616 O GLU A 101 54.891 -43.494 14.253 1.00 0.00 O ATOM 1617 CB GLU A 101 54.445 -42.520 11.590 1.00 0.00 C ATOM 1618 CG GLU A 101 53.810 -43.892 11.455 1.00 0.00 C ATOM 1619 CD GLU A 101 54.135 -44.553 10.133 1.00 0.00 C ATOM 1620 OE1 GLU A 101 53.387 -44.329 9.155 1.00 0.00 O ATOM 1621 OE2 GLU A 101 55.129 -45.303 10.069 1.00 0.00 O ATOM 0 H GLU A 101 53.398 -39.760 12.725 1.00 0.00 H new ATOM 0 HA GLU A 101 52.922 -41.913 12.956 1.00 0.00 H new ATOM 0 HB2 GLU A 101 54.204 -41.929 10.706 1.00 0.00 H new ATOM 0 HB3 GLU A 101 55.529 -42.631 11.614 1.00 0.00 H new ATOM 0 HG2 GLU A 101 54.153 -44.529 12.270 1.00 0.00 H new ATOM 0 HG3 GLU A 101 52.729 -43.800 11.555 1.00 0.00 H new ATOM 1628 N PHE A 102 54.985 -41.381 15.013 1.00 0.00 N ATOM 1629 CA PHE A 102 55.563 -41.750 16.294 1.00 0.00 C ATOM 1630 C PHE A 102 54.472 -42.325 17.183 1.00 0.00 C ATOM 1631 O PHE A 102 54.691 -43.272 17.940 1.00 0.00 O ATOM 1632 CB PHE A 102 56.210 -40.529 16.955 1.00 0.00 C ATOM 1633 CG PHE A 102 56.849 -40.825 18.284 1.00 0.00 C ATOM 1634 CD1 PHE A 102 58.076 -41.465 18.352 1.00 0.00 C ATOM 1635 CD2 PHE A 102 56.225 -40.457 19.466 1.00 0.00 C ATOM 1636 CE1 PHE A 102 58.664 -41.737 19.573 1.00 0.00 C ATOM 1637 CE2 PHE A 102 56.808 -40.728 20.688 1.00 0.00 C ATOM 1638 CZ PHE A 102 58.028 -41.368 20.742 1.00 0.00 C ATOM 0 H PHE A 102 54.845 -40.378 14.887 1.00 0.00 H new ATOM 0 HA PHE A 102 56.338 -42.502 16.143 1.00 0.00 H new ATOM 0 HB2 PHE A 102 56.965 -40.121 16.283 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.453 -39.757 17.091 1.00 0.00 H new ATOM 0 HD1 PHE A 102 58.579 -41.755 17.441 1.00 0.00 H new ATOM 0 HD2 PHE A 102 55.271 -39.952 19.431 1.00 0.00 H new ATOM 0 HE1 PHE A 102 59.620 -42.238 19.613 1.00 0.00 H new ATOM 0 HE2 PHE A 102 56.309 -40.439 21.601 1.00 0.00 H new ATOM 0 HZ PHE A 102 58.486 -41.580 21.697 1.00 0.00 H new ATOM 1648 N ASP A 103 53.290 -41.741 17.075 1.00 0.00 N ATOM 1649 CA ASP A 103 52.118 -42.238 17.776 1.00 0.00 C ATOM 1650 C ASP A 103 51.186 -42.911 16.779 1.00 0.00 C ATOM 1651 O ASP A 103 50.748 -42.290 15.810 1.00 0.00 O ATOM 1652 CB ASP A 103 51.395 -41.092 18.489 1.00 0.00 C ATOM 1653 CG ASP A 103 50.274 -41.578 19.384 1.00 0.00 C ATOM 1654 OD1 ASP A 103 50.541 -41.847 20.578 1.00 0.00 O ATOM 1655 OD2 ASP A 103 49.121 -41.672 18.913 1.00 0.00 O ATOM 0 H ASP A 103 53.116 -40.915 16.503 1.00 0.00 H new ATOM 0 HA ASP A 103 52.429 -42.963 18.528 1.00 0.00 H new ATOM 0 HB2 ASP A 103 52.113 -40.529 19.085 1.00 0.00 H new ATOM 0 HB3 ASP A 103 50.990 -40.405 17.746 1.00 0.00 H new ATOM 1660 N ARG A 104 50.903 -44.183 17.002 1.00 0.00 N ATOM 1661 CA ARG A 104 50.099 -44.949 16.064 1.00 0.00 C ATOM 1662 C ARG A 104 48.777 -45.361 16.688 1.00 0.00 C ATOM 1663 O ARG A 104 48.744 -46.117 17.664 1.00 0.00 O ATOM 1664 CB ARG A 104 50.857 -46.194 15.597 1.00 0.00 C ATOM 1665 CG ARG A 104 50.098 -47.012 14.563 1.00 0.00 C ATOM 1666 CD ARG A 104 50.848 -48.279 14.190 1.00 0.00 C ATOM 1667 NE ARG A 104 50.957 -49.210 15.313 1.00 0.00 N ATOM 1668 CZ ARG A 104 51.880 -50.165 15.400 1.00 0.00 C ATOM 1669 NH1 ARG A 104 52.819 -50.280 14.468 1.00 0.00 N ATOM 1670 NH2 ARG A 104 51.870 -51.001 16.430 1.00 0.00 N ATOM 0 H ARG A 104 51.216 -44.706 17.820 1.00 0.00 H new ATOM 0 HA ARG A 104 49.895 -44.311 15.204 1.00 0.00 H new ATOM 0 HB2 ARG A 104 51.816 -45.890 15.176 1.00 0.00 H new ATOM 0 HB3 ARG A 104 51.073 -46.824 16.460 1.00 0.00 H new ATOM 0 HG2 ARG A 104 49.115 -47.273 14.955 1.00 0.00 H new ATOM 0 HG3 ARG A 104 49.935 -46.409 13.670 1.00 0.00 H new ATOM 0 HD2 ARG A 104 50.337 -48.770 13.362 1.00 0.00 H new ATOM 0 HD3 ARG A 104 51.846 -48.018 13.839 1.00 0.00 H new ATOM 0 HE ARG A 104 50.285 -49.122 16.075 1.00 0.00 H new ATOM 0 HH11 ARG A 104 52.836 -49.634 13.679 1.00 0.00 H new ATOM 0 HH12 ARG A 104 53.523 -51.014 14.541 1.00 0.00 H new ATOM 0 HH21 ARG A 104 51.156 -50.911 17.153 1.00 0.00 H new ATOM 0 HH22 ARG A 104 52.576 -51.734 16.499 1.00 0.00 H new ATOM 1684 N LEU A 105 47.689 -44.864 16.119 1.00 0.00 N ATOM 1685 CA LEU A 105 46.359 -45.242 16.564 1.00 0.00 C ATOM 1686 C LEU A 105 45.989 -46.581 15.946 1.00 0.00 C ATOM 1687 O LEU A 105 46.097 -47.625 16.590 1.00 0.00 O ATOM 1688 CB LEU A 105 45.320 -44.175 16.184 1.00 0.00 C ATOM 1689 CG LEU A 105 45.442 -42.824 16.901 1.00 0.00 C ATOM 1690 CD1 LEU A 105 46.656 -42.044 16.412 1.00 0.00 C ATOM 1691 CD2 LEU A 105 44.173 -42.008 16.705 1.00 0.00 C ATOM 0 H LEU A 105 47.703 -44.197 15.347 1.00 0.00 H new ATOM 0 HA LEU A 105 46.363 -45.326 17.651 1.00 0.00 H new ATOM 0 HB2 LEU A 105 45.386 -44.000 15.110 1.00 0.00 H new ATOM 0 HB3 LEU A 105 44.327 -44.579 16.381 1.00 0.00 H new ATOM 0 HG LEU A 105 45.578 -43.019 17.965 1.00 0.00 H new ATOM 0 HD11 LEU A 105 46.714 -41.092 16.940 1.00 0.00 H new ATOM 0 HD12 LEU A 105 47.561 -42.621 16.604 1.00 0.00 H new ATOM 0 HD13 LEU A 105 46.564 -41.860 15.342 1.00 0.00 H new ATOM 0 HD21 LEU A 105 44.272 -41.052 17.219 1.00 0.00 H new ATOM 0 HD22 LEU A 105 44.013 -41.834 15.641 1.00 0.00 H new ATOM 0 HD23 LEU A 105 43.323 -42.553 17.115 1.00 0.00 H new ATOM 1703 N TRP A 106 45.591 -46.552 14.681 1.00 0.00 N ATOM 1704 CA TRP A 106 45.268 -47.767 13.948 1.00 0.00 C ATOM 1705 C TRP A 106 45.723 -47.634 12.502 1.00 0.00 C ATOM 1706 O TRP A 106 46.333 -46.628 12.129 1.00 0.00 O ATOM 1707 CB TRP A 106 43.767 -48.063 14.012 1.00 0.00 C ATOM 1708 CG TRP A 106 43.301 -48.449 15.382 1.00 0.00 C ATOM 1709 CD1 TRP A 106 42.572 -47.685 16.246 1.00 0.00 C ATOM 1710 CD2 TRP A 106 43.556 -49.688 16.056 1.00 0.00 C ATOM 1711 NE1 TRP A 106 42.352 -48.375 17.412 1.00 0.00 N ATOM 1712 CE2 TRP A 106 42.949 -49.605 17.322 1.00 0.00 C ATOM 1713 CE3 TRP A 106 44.241 -50.859 15.713 1.00 0.00 C ATOM 1714 CZ2 TRP A 106 43.003 -50.649 18.244 1.00 0.00 C ATOM 1715 CZ3 TRP A 106 44.295 -51.893 16.627 1.00 0.00 C ATOM 1716 CH2 TRP A 106 43.679 -51.783 17.881 1.00 0.00 C ATOM 0 H TRP A 106 45.484 -45.694 14.139 1.00 0.00 H new ATOM 0 HA TRP A 106 45.794 -48.602 14.411 1.00 0.00 H new ATOM 0 HB2 TRP A 106 43.215 -47.183 13.682 1.00 0.00 H new ATOM 0 HB3 TRP A 106 43.531 -48.867 13.315 1.00 0.00 H new ATOM 0 HD1 TRP A 106 42.220 -46.685 16.042 1.00 0.00 H new ATOM 0 HE1 TRP A 106 41.829 -48.028 18.216 1.00 0.00 H new ATOM 0 HE3 TRP A 106 44.720 -50.953 14.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 42.528 -50.566 19.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 44.821 -52.801 16.371 1.00 0.00 H new ATOM 0 HH2 TRP A 106 43.739 -52.609 18.575 1.00 0.00 H new ATOM 1727 N LYS A 107 45.424 -48.636 11.686 1.00 0.00 N ATOM 1728 CA LYS A 107 45.857 -48.639 10.294 1.00 0.00 C ATOM 1729 C LYS A 107 44.722 -48.181 9.375 1.00 0.00 C ATOM 1730 O LYS A 107 44.895 -48.028 8.164 1.00 0.00 O ATOM 1731 CB LYS A 107 46.348 -50.039 9.909 1.00 0.00 C ATOM 1732 CG LYS A 107 46.989 -50.112 8.532 1.00 0.00 C ATOM 1733 CD LYS A 107 47.623 -51.467 8.277 1.00 0.00 C ATOM 1734 CE LYS A 107 48.201 -51.545 6.872 1.00 0.00 C ATOM 1735 NZ LYS A 107 49.083 -52.727 6.692 1.00 0.00 N ATOM 0 H LYS A 107 44.884 -49.456 11.963 1.00 0.00 H new ATOM 0 HA LYS A 107 46.682 -47.936 10.175 1.00 0.00 H new ATOM 0 HB2 LYS A 107 47.069 -50.377 10.653 1.00 0.00 H new ATOM 0 HB3 LYS A 107 45.506 -50.731 9.944 1.00 0.00 H new ATOM 0 HG2 LYS A 107 46.236 -49.914 7.769 1.00 0.00 H new ATOM 0 HG3 LYS A 107 47.746 -49.333 8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 107 48.411 -51.647 9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 107 46.878 -52.252 8.411 1.00 0.00 H new ATOM 0 HE2 LYS A 107 47.387 -51.588 6.148 1.00 0.00 H new ATOM 0 HE3 LYS A 107 48.766 -50.637 6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 49.454 -52.739 5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 49.875 -52.675 7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 48.539 -53.596 6.865 1.00 0.00 H new ATOM 1749 N LYS A 108 43.562 -47.940 9.963 1.00 0.00 N ATOM 1750 CA LYS A 108 42.409 -47.468 9.214 1.00 0.00 C ATOM 1751 C LYS A 108 41.643 -46.429 10.025 1.00 0.00 C ATOM 1752 O LYS A 108 40.846 -46.823 10.901 1.00 0.00 O ATOM 1753 CB LYS A 108 41.499 -48.642 8.841 1.00 0.00 C ATOM 1754 CG LYS A 108 40.210 -48.224 8.156 1.00 0.00 C ATOM 1755 CD LYS A 108 39.350 -49.424 7.806 1.00 0.00 C ATOM 1756 CE LYS A 108 37.924 -49.005 7.500 1.00 0.00 C ATOM 1757 NZ LYS A 108 37.265 -48.397 8.687 1.00 0.00 N ATOM 1758 OXT LYS A 108 41.862 -45.219 9.801 1.00 0.00 O ATOM 0 H LYS A 108 43.393 -48.064 10.961 1.00 0.00 H new ATOM 0 HA LYS A 108 42.757 -46.999 8.294 1.00 0.00 H new ATOM 0 HB2 LYS A 108 42.046 -49.319 8.184 1.00 0.00 H new ATOM 0 HB3 LYS A 108 41.255 -49.202 9.744 1.00 0.00 H new ATOM 0 HG2 LYS A 108 39.651 -47.553 8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 108 40.443 -47.666 7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 108 39.774 -49.940 6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 108 39.354 -50.132 8.635 1.00 0.00 H new ATOM 0 HE2 LYS A 108 37.923 -48.291 6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 108 37.352 -49.872 7.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 36.235 -48.524 8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 37.612 -48.860 9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 37.487 -47.382 8.725 1.00 0.00 H new TER 1772 LYS A 108