USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 648 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 68 HIS : no HD1:sc= -0.238 K(o=-2.6,f=-4.3) USER MOD Set 1.2: A 72 HIS : no HE2:sc= -2.32 K(o=-2.6,f=-9.2!) USER MOD Set 2.1: A 30 ASN : amide:sc= -3.92! C(o=-4.7!,f=-4.8!) USER MOD Set 2.2: A 41 MET CE :methyl -112:sc= -0.784 (180deg=-3.51!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -112:sc= -1.07 (180deg=-1.56!) USER MOD Single : A 13 ASN : amide:sc= -1.18! C(o=-1.2!,f=-4!) USER MOD Single : A 16 MET CE :methyl -130:sc= 0 (180deg=-0.0984) USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00882) USER MOD Single : A 24 LYS NZ :NH3+ 161:sc= -0.0373 (180deg=-0.22) USER MOD Single : A 28 GLN : amide:sc=-0.00359 K(o=-0.0036,f=-0.88) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -4.7! C(o=-4.7!,f=-3.6!) USER MOD Single : A 35 ASN : amide:sc= -1.89 K(o=-1.9,f=-0.78) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.0405 X(o=-0.041,f=-0.079) USER MOD Single : A 69 MET CE :methyl -108:sc= -0.216 (180deg=-1.68!) USER MOD Single : A 70 GLN : amide:sc= -2.34! C(o=-2.3!,f=-2.9!) USER MOD Single : A 74 ASN : amide:sc= -0.362 X(o=-0.36,f=-0.002) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0815) USER MOD Single : A 77 SER OG : rot 39:sc= 0.837 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.509 -14.712 -8.973 1.00 0.00 N ATOM 2 CA GLY A 1 10.908 -14.858 -7.586 1.00 0.00 C ATOM 3 C GLY A 1 12.021 -13.904 -7.199 1.00 0.00 C ATOM 4 O GLY A 1 11.955 -13.251 -6.158 1.00 0.00 O ATOM 0 H1 GLY A 1 9.746 -15.386 -9.188 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.171 -13.742 -9.137 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.324 -14.903 -9.591 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.045 -14.685 -6.943 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.235 -15.883 -7.411 1.00 0.00 H new ATOM 8 N SER A 2 13.049 -13.825 -8.039 1.00 0.00 N ATOM 9 CA SER A 2 14.184 -12.948 -7.777 1.00 0.00 C ATOM 10 C SER A 2 13.884 -11.522 -8.226 1.00 0.00 C ATOM 11 O SER A 2 14.077 -10.568 -7.472 1.00 0.00 O ATOM 12 CB SER A 2 15.432 -13.468 -8.492 1.00 0.00 C ATOM 13 OG SER A 2 15.641 -14.843 -8.219 1.00 0.00 O ATOM 0 H SER A 2 13.119 -14.358 -8.906 1.00 0.00 H new ATOM 0 HA SER A 2 14.366 -12.941 -6.702 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.328 -13.319 -9.567 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.303 -12.894 -8.174 1.00 0.00 H new ATOM 0 HG SER A 2 16.444 -15.152 -8.689 1.00 0.00 H new ATOM 19 N SER A 3 13.410 -11.384 -9.460 1.00 0.00 N ATOM 20 CA SER A 3 13.086 -10.074 -10.012 1.00 0.00 C ATOM 21 C SER A 3 12.466 -9.173 -8.948 1.00 0.00 C ATOM 22 O SER A 3 11.870 -9.652 -7.984 1.00 0.00 O ATOM 23 CB SER A 3 12.128 -10.218 -11.196 1.00 0.00 C ATOM 24 OG SER A 3 12.704 -11.003 -12.226 1.00 0.00 O ATOM 0 H SER A 3 13.242 -12.163 -10.096 1.00 0.00 H new ATOM 0 HA SER A 3 14.012 -9.614 -10.357 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.198 -10.677 -10.861 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.875 -9.232 -11.585 1.00 0.00 H new ATOM 0 HG SER A 3 12.071 -11.081 -12.970 1.00 0.00 H new ATOM 30 N GLY A 4 12.611 -7.864 -9.131 1.00 0.00 N ATOM 31 CA GLY A 4 12.061 -6.917 -8.180 1.00 0.00 C ATOM 32 C GLY A 4 11.997 -5.508 -8.735 1.00 0.00 C ATOM 33 O GLY A 4 12.917 -4.714 -8.539 1.00 0.00 O ATOM 0 H GLY A 4 13.100 -7.443 -9.921 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.059 -7.236 -7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.669 -6.921 -7.275 1.00 0.00 H new ATOM 37 N SER A 5 10.909 -5.197 -9.432 1.00 0.00 N ATOM 38 CA SER A 5 10.731 -3.875 -10.023 1.00 0.00 C ATOM 39 C SER A 5 10.287 -2.865 -8.970 1.00 0.00 C ATOM 40 O SER A 5 9.702 -3.230 -7.950 1.00 0.00 O ATOM 41 CB SER A 5 9.705 -3.933 -11.156 1.00 0.00 C ATOM 42 OG SER A 5 8.448 -4.383 -10.682 1.00 0.00 O ATOM 0 H SER A 5 10.137 -5.842 -9.602 1.00 0.00 H new ATOM 0 HA SER A 5 11.690 -3.553 -10.428 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.596 -2.945 -11.603 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.062 -4.601 -11.940 1.00 0.00 H new ATOM 0 HG SER A 5 7.809 -4.410 -11.424 1.00 0.00 H new ATOM 48 N SER A 6 10.569 -1.591 -9.225 1.00 0.00 N ATOM 49 CA SER A 6 10.202 -0.526 -8.298 1.00 0.00 C ATOM 50 C SER A 6 9.404 0.562 -9.010 1.00 0.00 C ATOM 51 O SER A 6 9.972 1.463 -9.625 1.00 0.00 O ATOM 52 CB SER A 6 11.454 0.078 -7.661 1.00 0.00 C ATOM 53 OG SER A 6 11.947 -0.749 -6.621 1.00 0.00 O ATOM 0 H SER A 6 11.050 -1.271 -10.066 1.00 0.00 H new ATOM 0 HA SER A 6 9.577 -0.957 -7.516 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.224 0.211 -8.421 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.223 1.067 -7.265 1.00 0.00 H new ATOM 0 HG SER A 6 12.749 -0.342 -6.231 1.00 0.00 H new ATOM 59 N GLY A 7 8.080 0.471 -8.920 1.00 0.00 N ATOM 60 CA GLY A 7 7.224 1.453 -9.559 1.00 0.00 C ATOM 61 C GLY A 7 5.891 0.870 -9.987 1.00 0.00 C ATOM 62 O GLY A 7 5.787 -0.328 -10.253 1.00 0.00 O ATOM 0 H GLY A 7 7.586 -0.265 -8.416 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.051 2.281 -8.872 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.734 1.863 -10.431 1.00 0.00 H new ATOM 66 N ILE A 8 4.870 1.717 -10.051 1.00 0.00 N ATOM 67 CA ILE A 8 3.538 1.279 -10.448 1.00 0.00 C ATOM 68 C ILE A 8 2.923 2.237 -11.463 1.00 0.00 C ATOM 69 O ILE A 8 3.118 3.450 -11.383 1.00 0.00 O ATOM 70 CB ILE A 8 2.598 1.162 -9.234 1.00 0.00 C ATOM 71 CG1 ILE A 8 3.332 0.524 -8.053 1.00 0.00 C ATOM 72 CG2 ILE A 8 1.362 0.352 -9.597 1.00 0.00 C ATOM 73 CD1 ILE A 8 2.680 0.800 -6.716 1.00 0.00 C ATOM 0 H ILE A 8 4.940 2.711 -9.833 1.00 0.00 H new ATOM 0 HA ILE A 8 3.653 0.296 -10.904 1.00 0.00 H new ATOM 0 HB ILE A 8 2.280 2.163 -8.942 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.384 -0.554 -8.207 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.358 0.893 -8.031 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.707 0.278 -8.729 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.830 0.844 -10.411 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.662 -0.648 -9.912 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.254 0.317 -5.925 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.652 1.875 -6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.664 0.406 -6.719 1.00 0.00 H new ATOM 85 N ARG A 9 2.179 1.684 -12.415 1.00 0.00 N ATOM 86 CA ARG A 9 1.535 2.490 -13.445 1.00 0.00 C ATOM 87 C ARG A 9 0.506 3.435 -12.832 1.00 0.00 C ATOM 88 O ARG A 9 0.352 4.573 -13.275 1.00 0.00 O ATOM 89 CB ARG A 9 0.862 1.588 -14.481 1.00 0.00 C ATOM 90 CG ARG A 9 0.696 2.243 -15.843 1.00 0.00 C ATOM 91 CD ARG A 9 0.320 1.225 -16.909 1.00 0.00 C ATOM 92 NE ARG A 9 1.497 0.615 -17.522 1.00 0.00 N ATOM 93 CZ ARG A 9 1.461 -0.071 -18.659 1.00 0.00 C ATOM 94 NH1 ARG A 9 0.313 -0.234 -19.303 1.00 0.00 N ATOM 95 NH2 ARG A 9 2.574 -0.596 -19.154 1.00 0.00 N ATOM 0 H ARG A 9 2.007 0.682 -12.494 1.00 0.00 H new ATOM 0 HA ARG A 9 2.303 3.087 -13.937 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.450 0.677 -14.594 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.118 1.290 -14.109 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.073 3.013 -15.786 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.624 2.740 -16.124 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.301 0.448 -16.465 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.279 1.711 -17.679 1.00 0.00 H new ATOM 0 HE ARG A 9 2.396 0.722 -17.051 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.545 0.168 -18.925 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.288 -0.761 -20.176 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.459 -0.473 -18.662 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.545 -1.123 -20.027 1.00 0.00 H new ATOM 109 N ARG A 10 -0.196 2.955 -11.811 1.00 0.00 N ATOM 110 CA ARG A 10 -1.212 3.756 -11.138 1.00 0.00 C ATOM 111 C ARG A 10 -0.844 3.983 -9.675 1.00 0.00 C ATOM 112 O ARG A 10 -0.120 3.197 -9.062 1.00 0.00 O ATOM 113 CB ARG A 10 -2.576 3.071 -11.232 1.00 0.00 C ATOM 114 CG ARG A 10 -3.361 3.443 -12.479 1.00 0.00 C ATOM 115 CD ARG A 10 -2.716 2.875 -13.733 1.00 0.00 C ATOM 116 NE ARG A 10 -2.964 1.443 -13.876 1.00 0.00 N ATOM 117 CZ ARG A 10 -2.823 0.783 -15.020 1.00 0.00 C ATOM 118 NH1 ARG A 10 -2.436 1.422 -16.115 1.00 0.00 N ATOM 119 NH2 ARG A 10 -3.068 -0.520 -15.070 1.00 0.00 N ATOM 0 H ARG A 10 -0.080 2.015 -11.431 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.264 4.724 -11.636 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.432 1.991 -11.212 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.165 3.330 -10.352 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.382 3.070 -12.393 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.424 4.528 -12.560 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.101 3.399 -14.608 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.641 3.055 -13.701 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.262 0.921 -13.052 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.246 2.423 -16.081 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.329 0.912 -16.992 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.365 -1.016 -14.229 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.959 -1.026 -15.949 1.00 0.00 H new ATOM 133 N PRO A 11 -1.352 5.083 -9.101 1.00 0.00 N ATOM 134 CA PRO A 11 -1.091 5.439 -7.703 1.00 0.00 C ATOM 135 C PRO A 11 -1.778 4.492 -6.725 1.00 0.00 C ATOM 136 O PRO A 11 -2.331 3.467 -7.124 1.00 0.00 O ATOM 137 CB PRO A 11 -1.674 6.849 -7.581 1.00 0.00 C ATOM 138 CG PRO A 11 -2.721 6.919 -8.639 1.00 0.00 C ATOM 139 CD PRO A 11 -2.222 6.064 -9.771 1.00 0.00 C ATOM 0 HA PRO A 11 -0.030 5.379 -7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.099 7.017 -6.592 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.907 7.609 -7.732 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.678 6.554 -8.266 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.878 7.947 -8.966 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.042 5.578 -10.299 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.673 6.652 -10.506 1.00 0.00 H new ATOM 147 N MET A 12 -1.739 4.842 -5.443 1.00 0.00 N ATOM 148 CA MET A 12 -2.360 4.023 -4.409 1.00 0.00 C ATOM 149 C MET A 12 -2.955 4.896 -3.309 1.00 0.00 C ATOM 150 O MET A 12 -2.429 5.963 -2.998 1.00 0.00 O ATOM 151 CB MET A 12 -1.336 3.056 -3.811 1.00 0.00 C ATOM 152 CG MET A 12 -0.248 2.643 -4.788 1.00 0.00 C ATOM 153 SD MET A 12 0.436 1.016 -4.420 1.00 0.00 S ATOM 154 CE MET A 12 1.119 1.298 -2.788 1.00 0.00 C ATOM 0 H MET A 12 -1.284 5.687 -5.096 1.00 0.00 H new ATOM 0 HA MET A 12 -3.165 3.450 -4.869 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.874 3.522 -2.941 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.854 2.164 -3.458 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.655 2.641 -5.799 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.553 3.382 -4.768 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.207 1.250 -2.836 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.815 2.282 -2.431 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.752 0.534 -2.103 1.00 0.00 H new ATOM 164 N ASN A 13 -4.056 4.434 -2.723 1.00 0.00 N ATOM 165 CA ASN A 13 -4.723 5.174 -1.658 1.00 0.00 C ATOM 166 C ASN A 13 -4.314 4.641 -0.288 1.00 0.00 C ATOM 167 O ASN A 13 -3.440 3.782 -0.180 1.00 0.00 O ATOM 168 CB ASN A 13 -6.241 5.084 -1.820 1.00 0.00 C ATOM 169 CG ASN A 13 -6.658 4.888 -3.265 1.00 0.00 C ATOM 170 OD1 ASN A 13 -5.917 5.226 -4.188 1.00 0.00 O ATOM 171 ND2 ASN A 13 -7.850 4.339 -3.467 1.00 0.00 N ATOM 0 H ASN A 13 -4.504 3.551 -2.968 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.418 6.218 -1.728 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.619 4.256 -1.220 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.700 5.994 -1.433 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.185 4.182 -4.418 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.431 4.074 -2.672 1.00 0.00 H new ATOM 178 N ALA A 14 -4.953 5.158 0.756 1.00 0.00 N ATOM 179 CA ALA A 14 -4.658 4.734 2.119 1.00 0.00 C ATOM 180 C ALA A 14 -4.799 3.223 2.266 1.00 0.00 C ATOM 181 O ALA A 14 -3.973 2.571 2.907 1.00 0.00 O ATOM 182 CB ALA A 14 -5.571 5.449 3.104 1.00 0.00 C ATOM 0 H ALA A 14 -5.679 5.871 0.684 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.624 5.000 2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.339 5.122 4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.419 6.525 3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.610 5.212 2.875 1.00 0.00 H new ATOM 188 N PHE A 15 -5.850 2.670 1.669 1.00 0.00 N ATOM 189 CA PHE A 15 -6.099 1.235 1.735 1.00 0.00 C ATOM 190 C PHE A 15 -5.078 0.466 0.902 1.00 0.00 C ATOM 191 O PHE A 15 -4.507 -0.523 1.359 1.00 0.00 O ATOM 192 CB PHE A 15 -7.515 0.919 1.247 1.00 0.00 C ATOM 193 CG PHE A 15 -7.720 -0.528 0.901 1.00 0.00 C ATOM 194 CD1 PHE A 15 -7.320 -1.023 -0.330 1.00 0.00 C ATOM 195 CD2 PHE A 15 -8.313 -1.393 1.806 1.00 0.00 C ATOM 196 CE1 PHE A 15 -7.509 -2.354 -0.651 1.00 0.00 C ATOM 197 CE2 PHE A 15 -8.505 -2.725 1.491 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.101 -3.207 0.261 1.00 0.00 C ATOM 0 H PHE A 15 -6.543 3.194 1.134 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.002 0.922 2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.229 1.204 2.019 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.733 1.529 0.370 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -6.856 -0.362 -1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.629 -1.022 2.770 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.194 -2.727 -1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.970 -3.388 2.205 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.247 -4.248 0.013 1.00 0.00 H new ATOM 208 N MET A 16 -4.855 0.929 -0.324 1.00 0.00 N ATOM 209 CA MET A 16 -3.902 0.286 -1.222 1.00 0.00 C ATOM 210 C MET A 16 -2.514 0.231 -0.592 1.00 0.00 C ATOM 211 O MET A 16 -1.887 -0.827 -0.538 1.00 0.00 O ATOM 212 CB MET A 16 -3.841 1.033 -2.555 1.00 0.00 C ATOM 213 CG MET A 16 -5.177 1.095 -3.279 1.00 0.00 C ATOM 214 SD MET A 16 -5.017 1.652 -4.986 1.00 0.00 S ATOM 215 CE MET A 16 -4.377 0.172 -5.767 1.00 0.00 C ATOM 0 H MET A 16 -5.321 1.746 -0.718 1.00 0.00 H new ATOM 0 HA MET A 16 -4.241 -0.734 -1.401 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.486 2.048 -2.377 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.109 0.548 -3.201 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.640 0.108 -3.265 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.846 1.768 -2.742 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.498 0.425 -6.360 1.00 0.00 H new ATOM 0 HE2 MET A 16 -4.102 -0.554 -5.001 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.141 -0.257 -6.416 1.00 0.00 H new ATOM 225 N VAL A 17 -2.038 1.379 -0.118 1.00 0.00 N ATOM 226 CA VAL A 17 -0.724 1.461 0.508 1.00 0.00 C ATOM 227 C VAL A 17 -0.590 0.447 1.638 1.00 0.00 C ATOM 228 O VAL A 17 0.220 -0.478 1.563 1.00 0.00 O ATOM 229 CB VAL A 17 -0.454 2.871 1.064 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.874 2.909 1.804 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.478 3.899 -0.058 1.00 0.00 C ATOM 0 H VAL A 17 -2.543 2.264 -0.156 1.00 0.00 H new ATOM 0 HA VAL A 17 0.010 1.237 -0.266 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.244 3.120 1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.047 3.914 2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.849 2.202 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.679 2.639 1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.285 4.890 0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.290 3.655 -0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.456 3.889 -0.539 1.00 0.00 H new ATOM 241 N TRP A 18 -1.388 0.626 2.684 1.00 0.00 N ATOM 242 CA TRP A 18 -1.359 -0.274 3.832 1.00 0.00 C ATOM 243 C TRP A 18 -1.457 -1.728 3.385 1.00 0.00 C ATOM 244 O TRP A 18 -0.932 -2.626 4.043 1.00 0.00 O ATOM 245 CB TRP A 18 -2.501 0.056 4.794 1.00 0.00 C ATOM 246 CG TRP A 18 -2.882 -1.092 5.679 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.402 -1.357 6.929 1.00 0.00 C ATOM 248 CD2 TRP A 18 -3.822 -2.130 5.379 1.00 0.00 C ATOM 249 NE1 TRP A 18 -2.986 -2.498 7.425 1.00 0.00 N ATOM 250 CE2 TRP A 18 -3.861 -2.990 6.494 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.634 -2.415 4.279 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.681 -4.115 6.537 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.447 -3.532 4.323 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.466 -4.371 5.446 1.00 0.00 C ATOM 0 H TRP A 18 -2.064 1.386 2.761 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.409 -0.135 4.348 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.210 0.903 5.415 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.373 0.367 4.219 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.671 -0.758 7.451 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.798 -2.911 8.338 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.627 -1.774 3.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.697 -4.763 7.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.078 -3.762 3.478 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.113 -5.236 5.450 1.00 0.00 H new ATOM 265 N ALA A 19 -2.133 -1.954 2.263 1.00 0.00 N ATOM 266 CA ALA A 19 -2.298 -3.299 1.728 1.00 0.00 C ATOM 267 C ALA A 19 -1.001 -3.806 1.106 1.00 0.00 C ATOM 268 O ALA A 19 -0.673 -4.988 1.203 1.00 0.00 O ATOM 269 CB ALA A 19 -3.423 -3.326 0.704 1.00 0.00 C ATOM 0 H ALA A 19 -2.575 -1.222 1.707 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.557 -3.962 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.535 -4.337 0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.354 -3.015 1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.187 -2.645 -0.114 1.00 0.00 H new ATOM 275 N LYS A 20 -0.266 -2.903 0.465 1.00 0.00 N ATOM 276 CA LYS A 20 0.996 -3.257 -0.174 1.00 0.00 C ATOM 277 C LYS A 20 1.785 -4.237 0.688 1.00 0.00 C ATOM 278 O LYS A 20 2.506 -5.092 0.171 1.00 0.00 O ATOM 279 CB LYS A 20 1.831 -2.001 -0.431 1.00 0.00 C ATOM 280 CG LYS A 20 2.701 -1.597 0.747 1.00 0.00 C ATOM 281 CD LYS A 20 2.937 -0.096 0.777 1.00 0.00 C ATOM 282 CE LYS A 20 4.038 0.314 -0.188 1.00 0.00 C ATOM 283 NZ LYS A 20 5.392 0.014 0.355 1.00 0.00 N ATOM 0 H LYS A 20 -0.523 -1.920 0.374 1.00 0.00 H new ATOM 0 HA LYS A 20 0.771 -3.737 -1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.467 -2.169 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.164 -1.176 -0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.225 -1.910 1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.658 -2.116 0.689 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.014 0.424 0.520 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.205 0.211 1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.903 -0.208 -1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.959 1.381 -0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.116 0.354 -0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.512 0.491 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.495 -1.013 0.483 1.00 0.00 H new ATOM 297 N ASP A 21 1.644 -4.109 2.002 1.00 0.00 N ATOM 298 CA ASP A 21 2.342 -4.986 2.935 1.00 0.00 C ATOM 299 C ASP A 21 1.499 -6.215 3.260 1.00 0.00 C ATOM 300 O ASP A 21 1.973 -7.347 3.166 1.00 0.00 O ATOM 301 CB ASP A 21 2.682 -4.230 4.221 1.00 0.00 C ATOM 302 CG ASP A 21 3.722 -4.949 5.057 1.00 0.00 C ATOM 303 OD1 ASP A 21 3.369 -5.955 5.709 1.00 0.00 O ATOM 304 OD2 ASP A 21 4.890 -4.507 5.059 1.00 0.00 O ATOM 0 H ASP A 21 1.053 -3.406 2.446 1.00 0.00 H new ATOM 0 HA ASP A 21 3.267 -5.317 2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.048 -3.235 3.968 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.775 -4.096 4.811 1.00 0.00 H new ATOM 309 N GLU A 22 0.248 -5.983 3.645 1.00 0.00 N ATOM 310 CA GLU A 22 -0.660 -7.073 3.986 1.00 0.00 C ATOM 311 C GLU A 22 -0.841 -8.021 2.804 1.00 0.00 C ATOM 312 O GLU A 22 -0.561 -9.215 2.905 1.00 0.00 O ATOM 313 CB GLU A 22 -2.018 -6.517 4.421 1.00 0.00 C ATOM 314 CG GLU A 22 -2.120 -6.259 5.915 1.00 0.00 C ATOM 315 CD GLU A 22 -0.990 -5.392 6.435 1.00 0.00 C ATOM 316 OE1 GLU A 22 -0.631 -4.412 5.749 1.00 0.00 O ATOM 317 OE2 GLU A 22 -0.466 -5.693 7.528 1.00 0.00 O ATOM 0 H GLU A 22 -0.160 -5.052 3.729 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.222 -7.632 4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.208 -5.586 3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.799 -7.218 4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.073 -5.777 6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.116 -7.211 6.446 1.00 0.00 H new ATOM 324 N ARG A 23 -1.310 -7.479 1.685 1.00 0.00 N ATOM 325 CA ARG A 23 -1.530 -8.276 0.484 1.00 0.00 C ATOM 326 C ARG A 23 -0.426 -9.315 0.311 1.00 0.00 C ATOM 327 O ARG A 23 -0.695 -10.480 0.020 1.00 0.00 O ATOM 328 CB ARG A 23 -1.592 -7.372 -0.749 1.00 0.00 C ATOM 329 CG ARG A 23 -2.122 -8.071 -1.990 1.00 0.00 C ATOM 330 CD ARG A 23 -1.802 -7.285 -3.252 1.00 0.00 C ATOM 331 NE ARG A 23 -2.083 -8.053 -4.462 1.00 0.00 N ATOM 332 CZ ARG A 23 -2.214 -7.507 -5.665 1.00 0.00 C ATOM 333 NH1 ARG A 23 -2.091 -6.196 -5.819 1.00 0.00 N ATOM 334 NH2 ARG A 23 -2.469 -8.273 -6.719 1.00 0.00 N ATOM 0 H ARG A 23 -1.545 -6.491 1.585 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.481 -8.797 0.593 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.225 -6.513 -0.528 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.594 -6.987 -0.957 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.687 -9.068 -2.061 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.201 -8.199 -1.904 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.386 -6.365 -3.263 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.751 -6.996 -3.242 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.184 -9.065 -4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.895 -5.604 -5.012 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.192 -5.780 -6.745 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.564 -9.282 -6.605 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.569 -7.852 -7.643 1.00 0.00 H new ATOM 348 N LYS A 24 0.818 -8.884 0.492 1.00 0.00 N ATOM 349 CA LYS A 24 1.964 -9.776 0.357 1.00 0.00 C ATOM 350 C LYS A 24 1.755 -11.055 1.161 1.00 0.00 C ATOM 351 O LYS A 24 1.996 -12.157 0.667 1.00 0.00 O ATOM 352 CB LYS A 24 3.241 -9.072 0.821 1.00 0.00 C ATOM 353 CG LYS A 24 3.484 -7.739 0.135 1.00 0.00 C ATOM 354 CD LYS A 24 4.329 -7.902 -1.117 1.00 0.00 C ATOM 355 CE LYS A 24 3.464 -8.095 -2.352 1.00 0.00 C ATOM 356 NZ LYS A 24 2.753 -6.843 -2.733 1.00 0.00 N ATOM 0 H LYS A 24 1.058 -7.922 0.733 1.00 0.00 H new ATOM 0 HA LYS A 24 2.065 -10.042 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.187 -8.912 1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.094 -9.726 0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.529 -7.284 -0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.983 -7.059 0.826 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.961 -7.023 -1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.994 -8.758 -1.000 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.087 -8.426 -3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.735 -8.884 -2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.443 -6.908 -3.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.924 -6.714 -2.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.395 -6.032 -2.624 1.00 0.00 H new ATOM 370 N ARG A 25 1.305 -10.902 2.403 1.00 0.00 N ATOM 371 CA ARG A 25 1.064 -12.045 3.274 1.00 0.00 C ATOM 372 C ARG A 25 -0.059 -12.920 2.726 1.00 0.00 C ATOM 373 O ARG A 25 -0.044 -14.142 2.885 1.00 0.00 O ATOM 374 CB ARG A 25 0.713 -11.572 4.686 1.00 0.00 C ATOM 375 CG ARG A 25 -0.778 -11.378 4.910 1.00 0.00 C ATOM 376 CD ARG A 25 -1.048 -10.363 6.010 1.00 0.00 C ATOM 377 NE ARG A 25 -2.458 -10.331 6.390 1.00 0.00 N ATOM 378 CZ ARG A 25 -2.922 -9.655 7.436 1.00 0.00 C ATOM 379 NH1 ARG A 25 -2.092 -8.960 8.201 1.00 0.00 N ATOM 380 NH2 ARG A 25 -4.218 -9.674 7.717 1.00 0.00 N ATOM 0 H ARG A 25 1.100 -9.997 2.828 1.00 0.00 H new ATOM 0 HA ARG A 25 1.977 -12.639 3.313 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.089 -12.298 5.407 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.227 -10.631 4.883 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.246 -11.045 3.984 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.235 -12.332 5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.442 -10.605 6.883 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.741 -9.373 5.673 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.123 -10.856 5.822 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.095 -8.943 7.987 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.451 -8.442 9.003 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.859 -10.208 7.130 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.573 -9.155 8.520 1.00 0.00 H new ATOM 394 N LEU A 26 -1.032 -12.288 2.079 1.00 0.00 N ATOM 395 CA LEU A 26 -2.164 -13.008 1.506 1.00 0.00 C ATOM 396 C LEU A 26 -1.719 -13.882 0.338 1.00 0.00 C ATOM 397 O LEU A 26 -2.119 -15.040 0.228 1.00 0.00 O ATOM 398 CB LEU A 26 -3.238 -12.023 1.041 1.00 0.00 C ATOM 399 CG LEU A 26 -3.700 -10.996 2.076 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.915 -10.236 1.568 1.00 0.00 C ATOM 401 CD2 LEU A 26 -4.010 -11.677 3.401 1.00 0.00 C ATOM 0 H LEU A 26 -1.060 -11.278 1.938 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.582 -13.653 2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.859 -11.487 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.107 -12.593 0.711 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.892 -10.282 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.230 -9.510 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.659 -9.717 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.728 -10.936 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.337 -10.931 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.801 -12.413 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.114 -12.175 3.772 1.00 0.00 H new ATOM 413 N ALA A 27 -0.887 -13.318 -0.532 1.00 0.00 N ATOM 414 CA ALA A 27 -0.383 -14.047 -1.690 1.00 0.00 C ATOM 415 C ALA A 27 0.290 -15.349 -1.269 1.00 0.00 C ATOM 416 O ALA A 27 -0.003 -16.413 -1.814 1.00 0.00 O ATOM 417 CB ALA A 27 0.587 -13.180 -2.478 1.00 0.00 C ATOM 0 H ALA A 27 -0.548 -12.359 -0.457 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.231 -14.297 -2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.955 -13.737 -3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.076 -12.280 -2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.426 -12.901 -1.841 1.00 0.00 H new ATOM 423 N GLN A 28 1.192 -15.256 -0.298 1.00 0.00 N ATOM 424 CA GLN A 28 1.908 -16.428 0.194 1.00 0.00 C ATOM 425 C GLN A 28 0.955 -17.395 0.889 1.00 0.00 C ATOM 426 O GLN A 28 1.112 -18.612 0.791 1.00 0.00 O ATOM 427 CB GLN A 28 3.018 -16.006 1.157 1.00 0.00 C ATOM 428 CG GLN A 28 2.517 -15.210 2.352 1.00 0.00 C ATOM 429 CD GLN A 28 3.480 -15.246 3.522 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.625 -15.679 3.386 1.00 0.00 O ATOM 431 NE2 GLN A 28 3.020 -14.790 4.682 1.00 0.00 N ATOM 0 H GLN A 28 1.445 -14.382 0.164 1.00 0.00 H new ATOM 0 HA GLN A 28 2.353 -16.937 -0.661 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.535 -16.896 1.515 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.751 -15.409 0.614 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.354 -14.175 2.052 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.552 -15.606 2.668 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.064 -14.440 4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.623 -14.790 5.505 1.00 0.00 H new ATOM 440 N GLN A 29 -0.031 -16.845 1.590 1.00 0.00 N ATOM 441 CA GLN A 29 -1.008 -17.661 2.302 1.00 0.00 C ATOM 442 C GLN A 29 -1.961 -18.344 1.327 1.00 0.00 C ATOM 443 O GLN A 29 -2.441 -19.447 1.584 1.00 0.00 O ATOM 444 CB GLN A 29 -1.799 -16.800 3.289 1.00 0.00 C ATOM 445 CG GLN A 29 -1.171 -16.728 4.672 1.00 0.00 C ATOM 446 CD GLN A 29 -2.182 -16.405 5.755 1.00 0.00 C ATOM 447 OE1 GLN A 29 -2.294 -17.122 6.750 1.00 0.00 O ATOM 448 NE2 GLN A 29 -2.924 -15.320 5.567 1.00 0.00 N ATOM 0 H GLN A 29 -0.175 -15.839 1.680 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.469 -18.431 2.853 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.889 -15.791 2.887 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.809 -17.199 3.378 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.692 -17.680 4.900 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.388 -15.969 4.673 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.797 -14.755 4.727 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.620 -15.052 6.262 1.00 0.00 H new ATOM 457 N ASN A 30 -2.231 -17.679 0.208 1.00 0.00 N ATOM 458 CA ASN A 30 -3.128 -18.223 -0.805 1.00 0.00 C ATOM 459 C ASN A 30 -2.521 -18.086 -2.198 1.00 0.00 C ATOM 460 O ASN A 30 -2.822 -17.155 -2.945 1.00 0.00 O ATOM 461 CB ASN A 30 -4.481 -17.509 -0.754 1.00 0.00 C ATOM 462 CG ASN A 30 -5.151 -17.637 0.600 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.495 -18.736 1.034 1.00 0.00 O ATOM 464 ND2 ASN A 30 -5.339 -16.509 1.276 1.00 0.00 N ATOM 0 H ASN A 30 -1.842 -16.764 -0.020 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.275 -19.282 -0.594 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.341 -16.454 -0.989 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.136 -17.922 -1.521 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.784 -16.532 2.193 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.038 -15.620 0.878 1.00 0.00 H new ATOM 471 N PRO A 31 -1.646 -19.037 -2.558 1.00 0.00 N ATOM 472 CA PRO A 31 -0.979 -19.046 -3.863 1.00 0.00 C ATOM 473 C PRO A 31 -1.941 -19.363 -5.004 1.00 0.00 C ATOM 474 O PRO A 31 -1.571 -19.299 -6.176 1.00 0.00 O ATOM 475 CB PRO A 31 0.065 -20.156 -3.721 1.00 0.00 C ATOM 476 CG PRO A 31 -0.484 -21.060 -2.671 1.00 0.00 C ATOM 477 CD PRO A 31 -1.240 -20.176 -1.718 1.00 0.00 C ATOM 0 HA PRO A 31 -0.555 -18.073 -4.110 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.211 -20.685 -4.663 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.035 -19.753 -3.429 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.140 -21.813 -3.108 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.316 -21.593 -2.158 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.102 -20.689 -1.292 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.615 -19.857 -0.884 1.00 0.00 H new ATOM 485 N ASP A 32 -3.176 -19.704 -4.652 1.00 0.00 N ATOM 486 CA ASP A 32 -4.192 -20.029 -5.646 1.00 0.00 C ATOM 487 C ASP A 32 -5.229 -18.915 -5.748 1.00 0.00 C ATOM 488 O ASP A 32 -5.970 -18.830 -6.728 1.00 0.00 O ATOM 489 CB ASP A 32 -4.877 -21.350 -5.294 1.00 0.00 C ATOM 490 CG ASP A 32 -4.184 -22.546 -5.917 1.00 0.00 C ATOM 491 OD1 ASP A 32 -4.279 -22.710 -7.151 1.00 0.00 O ATOM 492 OD2 ASP A 32 -3.546 -23.317 -5.170 1.00 0.00 O ATOM 0 H ASP A 32 -3.497 -19.762 -3.686 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.699 -20.131 -6.613 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.896 -21.469 -4.211 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.914 -21.319 -5.630 1.00 0.00 H new ATOM 497 N LEU A 33 -5.277 -18.064 -4.730 1.00 0.00 N ATOM 498 CA LEU A 33 -6.224 -16.954 -4.703 1.00 0.00 C ATOM 499 C LEU A 33 -5.657 -15.737 -5.427 1.00 0.00 C ATOM 500 O LEU A 33 -4.442 -15.588 -5.554 1.00 0.00 O ATOM 501 CB LEU A 33 -6.571 -16.588 -3.259 1.00 0.00 C ATOM 502 CG LEU A 33 -7.401 -17.614 -2.488 1.00 0.00 C ATOM 503 CD1 LEU A 33 -7.738 -17.093 -1.099 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.671 -17.957 -3.253 1.00 0.00 C ATOM 0 H LEU A 33 -4.671 -18.121 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.131 -17.270 -5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.642 -16.419 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.113 -15.642 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.809 -18.523 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.329 -17.837 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.817 -16.899 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.310 -16.169 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.249 -18.689 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.266 -17.055 -3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.409 -18.374 -4.225 1.00 0.00 H new ATOM 516 N HIS A 34 -6.546 -14.867 -5.897 1.00 0.00 N ATOM 517 CA HIS A 34 -6.135 -13.661 -6.605 1.00 0.00 C ATOM 518 C HIS A 34 -6.599 -12.411 -5.864 1.00 0.00 C ATOM 519 O HIS A 34 -7.358 -12.496 -4.899 1.00 0.00 O ATOM 520 CB HIS A 34 -6.696 -13.662 -8.027 1.00 0.00 C ATOM 521 CG HIS A 34 -8.173 -13.898 -8.088 1.00 0.00 C ATOM 522 ND1 HIS A 34 -9.091 -12.883 -8.260 1.00 0.00 N ATOM 523 CD2 HIS A 34 -8.892 -15.041 -8.001 1.00 0.00 C ATOM 524 CE1 HIS A 34 -10.310 -13.392 -8.274 1.00 0.00 C ATOM 525 NE2 HIS A 34 -10.217 -14.700 -8.119 1.00 0.00 N ATOM 0 H HIS A 34 -7.556 -14.975 -5.800 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.046 -13.651 -6.652 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.469 -12.706 -8.499 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.189 -14.432 -8.608 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.497 -16.037 -7.864 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.227 -12.833 -8.392 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.002 -15.351 -8.091 1.00 0.00 H new ATOM 534 N ASN A 35 -6.137 -11.251 -6.321 1.00 0.00 N ATOM 535 CA ASN A 35 -6.504 -9.984 -5.700 1.00 0.00 C ATOM 536 C ASN A 35 -7.934 -10.032 -5.169 1.00 0.00 C ATOM 537 O ASN A 35 -8.157 -10.044 -3.959 1.00 0.00 O ATOM 538 CB ASN A 35 -6.360 -8.839 -6.705 1.00 0.00 C ATOM 539 CG ASN A 35 -6.246 -7.487 -6.029 1.00 0.00 C ATOM 540 OD1 ASN A 35 -7.165 -7.047 -5.337 1.00 0.00 O ATOM 541 ND2 ASN A 35 -5.114 -6.820 -6.226 1.00 0.00 N ATOM 0 H ASN A 35 -5.508 -11.163 -7.119 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.829 -9.810 -4.862 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.477 -9.009 -7.322 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.221 -8.836 -7.374 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.980 -5.905 -5.796 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.379 -7.223 -6.807 1.00 0.00 H new ATOM 548 N ALA A 36 -8.898 -10.061 -6.083 1.00 0.00 N ATOM 549 CA ALA A 36 -10.305 -10.110 -5.708 1.00 0.00 C ATOM 550 C ALA A 36 -10.505 -10.925 -4.434 1.00 0.00 C ATOM 551 O ALA A 36 -11.312 -10.565 -3.577 1.00 0.00 O ATOM 552 CB ALA A 36 -11.134 -10.692 -6.843 1.00 0.00 C ATOM 0 H ALA A 36 -8.730 -10.051 -7.089 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.639 -9.091 -5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.183 -10.723 -6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.024 -10.069 -7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.790 -11.702 -7.064 1.00 0.00 H new ATOM 558 N GLU A 37 -9.766 -12.023 -4.317 1.00 0.00 N ATOM 559 CA GLU A 37 -9.864 -12.889 -3.147 1.00 0.00 C ATOM 560 C GLU A 37 -9.101 -12.296 -1.966 1.00 0.00 C ATOM 561 O GLU A 37 -9.578 -12.315 -0.831 1.00 0.00 O ATOM 562 CB GLU A 37 -9.323 -14.283 -3.470 1.00 0.00 C ATOM 563 CG GLU A 37 -10.193 -15.063 -4.442 1.00 0.00 C ATOM 564 CD GLU A 37 -11.240 -15.906 -3.740 1.00 0.00 C ATOM 565 OE1 GLU A 37 -11.120 -16.099 -2.513 1.00 0.00 O ATOM 566 OE2 GLU A 37 -12.180 -16.371 -4.419 1.00 0.00 O ATOM 0 H GLU A 37 -9.093 -12.334 -5.017 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.916 -12.970 -2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.321 -14.187 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.228 -14.850 -2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.687 -14.367 -5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.561 -15.709 -5.052 1.00 0.00 H new ATOM 573 N LEU A 38 -7.912 -11.770 -2.242 1.00 0.00 N ATOM 574 CA LEU A 38 -7.081 -11.172 -1.203 1.00 0.00 C ATOM 575 C LEU A 38 -7.790 -9.987 -0.554 1.00 0.00 C ATOM 576 O LEU A 38 -7.849 -9.882 0.671 1.00 0.00 O ATOM 577 CB LEU A 38 -5.743 -10.721 -1.790 1.00 0.00 C ATOM 578 CG LEU A 38 -5.086 -11.683 -2.780 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.719 -11.165 -3.201 1.00 0.00 C ATOM 580 CD2 LEU A 38 -4.968 -13.074 -2.175 1.00 0.00 C ATOM 0 H LEU A 38 -7.502 -11.746 -3.176 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.899 -11.927 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.892 -9.764 -2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.049 -10.547 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.717 -11.747 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.267 -11.863 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.830 -10.190 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.080 -11.070 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.498 -13.745 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.360 -13.027 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.961 -13.448 -1.925 1.00 0.00 H new ATOM 592 N SER A 39 -8.328 -9.099 -1.383 1.00 0.00 N ATOM 593 CA SER A 39 -9.031 -7.920 -0.890 1.00 0.00 C ATOM 594 C SER A 39 -9.965 -8.287 0.260 1.00 0.00 C ATOM 595 O SER A 39 -9.884 -7.714 1.347 1.00 0.00 O ATOM 596 CB SER A 39 -9.828 -7.266 -2.021 1.00 0.00 C ATOM 597 OG SER A 39 -9.885 -5.860 -1.856 1.00 0.00 O ATOM 0 H SER A 39 -8.291 -9.173 -2.400 1.00 0.00 H new ATOM 0 HA SER A 39 -8.289 -7.212 -0.521 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.368 -7.505 -2.980 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.838 -7.674 -2.042 1.00 0.00 H new ATOM 0 HG SER A 39 -10.398 -5.465 -2.592 1.00 0.00 H new ATOM 603 N LYS A 40 -10.851 -9.245 0.011 1.00 0.00 N ATOM 604 CA LYS A 40 -11.800 -9.691 1.024 1.00 0.00 C ATOM 605 C LYS A 40 -11.159 -9.691 2.408 1.00 0.00 C ATOM 606 O LYS A 40 -11.835 -9.480 3.415 1.00 0.00 O ATOM 607 CB LYS A 40 -12.315 -11.092 0.689 1.00 0.00 C ATOM 608 CG LYS A 40 -13.258 -11.126 -0.502 1.00 0.00 C ATOM 609 CD LYS A 40 -14.708 -10.990 -0.068 1.00 0.00 C ATOM 610 CE LYS A 40 -15.662 -11.398 -1.180 1.00 0.00 C ATOM 611 NZ LYS A 40 -16.979 -11.843 -0.645 1.00 0.00 N ATOM 0 H LYS A 40 -10.932 -9.728 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.639 -8.995 1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.465 -11.744 0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.829 -11.499 1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.006 -10.319 -1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.126 -12.062 -1.045 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.886 -11.610 0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.907 -9.959 0.223 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.811 -10.557 -1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.216 -12.203 -1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.601 -12.113 -1.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.841 -12.661 -0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.416 -11.066 -0.109 1.00 0.00 H new ATOM 625 N MET A 41 -9.852 -9.927 2.450 1.00 0.00 N ATOM 626 CA MET A 41 -9.121 -9.951 3.711 1.00 0.00 C ATOM 627 C MET A 41 -8.486 -8.594 3.998 1.00 0.00 C ATOM 628 O MET A 41 -8.395 -8.171 5.151 1.00 0.00 O ATOM 629 CB MET A 41 -8.041 -11.035 3.678 1.00 0.00 C ATOM 630 CG MET A 41 -8.547 -12.383 3.191 1.00 0.00 C ATOM 631 SD MET A 41 -7.221 -13.584 2.970 1.00 0.00 S ATOM 632 CE MET A 41 -7.427 -14.002 1.241 1.00 0.00 C ATOM 0 H MET A 41 -9.278 -10.104 1.626 1.00 0.00 H new ATOM 0 HA MET A 41 -9.829 -10.177 4.508 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.228 -10.706 3.031 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.625 -11.152 4.679 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.271 -12.775 3.905 1.00 0.00 H new ATOM 0 HG3 MET A 41 -9.072 -12.249 2.245 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.768 -15.034 1.154 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.164 -13.337 0.791 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.474 -13.891 0.724 1.00 0.00 H new ATOM 642 N LEU A 42 -8.049 -7.916 2.943 1.00 0.00 N ATOM 643 CA LEU A 42 -7.423 -6.605 3.082 1.00 0.00 C ATOM 644 C LEU A 42 -8.437 -5.563 3.543 1.00 0.00 C ATOM 645 O LEU A 42 -8.074 -4.551 4.140 1.00 0.00 O ATOM 646 CB LEU A 42 -6.799 -6.173 1.753 1.00 0.00 C ATOM 647 CG LEU A 42 -5.684 -7.069 1.213 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.257 -6.612 -0.174 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.495 -7.073 2.164 1.00 0.00 C ATOM 0 H LEU A 42 -8.116 -8.252 1.982 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.640 -6.682 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.589 -6.119 1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.402 -5.165 1.871 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.067 -8.087 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.463 -7.261 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.109 -6.661 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.893 -5.586 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.711 -7.716 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.112 -6.058 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.809 -7.448 3.138 1.00 0.00 H new ATOM 661 N GLY A 43 -9.711 -5.821 3.264 1.00 0.00 N ATOM 662 CA GLY A 43 -10.758 -4.897 3.660 1.00 0.00 C ATOM 663 C GLY A 43 -11.146 -5.049 5.117 1.00 0.00 C ATOM 664 O GLY A 43 -11.187 -4.070 5.862 1.00 0.00 O ATOM 0 H GLY A 43 -10.037 -6.653 2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.423 -3.875 3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.636 -5.058 3.035 1.00 0.00 H new ATOM 668 N LYS A 44 -11.433 -6.281 5.526 1.00 0.00 N ATOM 669 CA LYS A 44 -11.820 -6.559 6.903 1.00 0.00 C ATOM 670 C LYS A 44 -10.791 -5.999 7.881 1.00 0.00 C ATOM 671 O LYS A 44 -11.144 -5.503 8.951 1.00 0.00 O ATOM 672 CB LYS A 44 -11.973 -8.067 7.117 1.00 0.00 C ATOM 673 CG LYS A 44 -10.656 -8.822 7.093 1.00 0.00 C ATOM 674 CD LYS A 44 -10.827 -10.257 7.564 1.00 0.00 C ATOM 675 CE LYS A 44 -9.540 -11.052 7.408 1.00 0.00 C ATOM 676 NZ LYS A 44 -9.680 -12.442 7.924 1.00 0.00 N ATOM 0 H LYS A 44 -11.405 -7.103 4.922 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.777 -6.072 7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.465 -8.241 8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.627 -8.470 6.344 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.251 -8.816 6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.932 -8.313 7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.135 -10.264 8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.623 -10.736 6.994 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.257 -11.082 6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.734 -10.547 7.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.781 -12.951 7.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.925 -12.414 8.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.432 -12.933 7.399 1.00 0.00 H new ATOM 690 N SER A 45 -9.519 -6.081 7.506 1.00 0.00 N ATOM 691 CA SER A 45 -8.439 -5.585 8.352 1.00 0.00 C ATOM 692 C SER A 45 -8.327 -4.067 8.253 1.00 0.00 C ATOM 693 O SER A 45 -7.943 -3.398 9.213 1.00 0.00 O ATOM 694 CB SER A 45 -7.112 -6.233 7.953 1.00 0.00 C ATOM 695 OG SER A 45 -6.972 -7.513 8.544 1.00 0.00 O ATOM 0 H SER A 45 -9.210 -6.486 6.622 1.00 0.00 H new ATOM 0 HA SER A 45 -8.668 -5.849 9.385 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.059 -6.322 6.868 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.284 -5.594 8.261 1.00 0.00 H new ATOM 0 HG SER A 45 -6.117 -7.907 8.272 1.00 0.00 H new ATOM 701 N TRP A 46 -8.665 -3.529 7.087 1.00 0.00 N ATOM 702 CA TRP A 46 -8.602 -2.090 6.861 1.00 0.00 C ATOM 703 C TRP A 46 -9.644 -1.361 7.703 1.00 0.00 C ATOM 704 O TRP A 46 -9.305 -0.632 8.635 1.00 0.00 O ATOM 705 CB TRP A 46 -8.814 -1.775 5.380 1.00 0.00 C ATOM 706 CG TRP A 46 -8.706 -0.314 5.062 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.695 0.496 4.582 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.542 0.509 5.198 1.00 0.00 C ATOM 709 NE1 TRP A 46 -9.217 1.773 4.413 1.00 0.00 N ATOM 710 CE2 TRP A 46 -7.899 1.807 4.784 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.234 0.276 5.632 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -6.994 2.865 4.791 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.337 1.327 5.638 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.721 2.609 5.221 1.00 0.00 C ATOM 0 H TRP A 46 -8.986 -4.068 6.283 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.613 -1.744 7.160 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -8.079 -2.323 4.791 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.798 -2.134 5.077 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.705 0.179 4.367 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.756 2.567 4.067 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -5.930 -0.708 5.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.287 3.853 4.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.323 1.158 5.970 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.997 3.411 5.240 1.00 0.00 H new ATOM 725 N LYS A 47 -10.914 -1.563 7.369 1.00 0.00 N ATOM 726 CA LYS A 47 -12.007 -0.927 8.094 1.00 0.00 C ATOM 727 C LYS A 47 -11.773 -0.996 9.600 1.00 0.00 C ATOM 728 O LYS A 47 -12.081 -0.054 10.330 1.00 0.00 O ATOM 729 CB LYS A 47 -13.338 -1.595 7.743 1.00 0.00 C ATOM 730 CG LYS A 47 -14.049 -0.952 6.565 1.00 0.00 C ATOM 731 CD LYS A 47 -15.123 -1.864 5.996 1.00 0.00 C ATOM 732 CE LYS A 47 -14.518 -2.995 5.179 1.00 0.00 C ATOM 733 NZ LYS A 47 -15.484 -4.110 4.975 1.00 0.00 N ATOM 0 H LYS A 47 -11.212 -2.163 6.600 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.045 0.121 7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.159 -2.647 7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.993 -1.562 8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.499 -0.011 6.880 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.324 -0.713 5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.718 -2.279 6.810 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.801 -1.283 5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.196 -2.612 4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.629 -3.373 5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.034 -4.861 4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.772 -4.493 5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.322 -3.756 4.470 1.00 0.00 H new ATOM 747 N ALA A 48 -11.226 -2.117 10.058 1.00 0.00 N ATOM 748 CA ALA A 48 -10.948 -2.307 11.477 1.00 0.00 C ATOM 749 C ALA A 48 -9.975 -1.253 11.991 1.00 0.00 C ATOM 750 O ALA A 48 -10.188 -0.660 13.050 1.00 0.00 O ATOM 751 CB ALA A 48 -10.396 -3.704 11.724 1.00 0.00 C ATOM 0 H ALA A 48 -10.967 -2.907 9.468 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.884 -2.196 12.024 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.193 -3.832 12.787 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.127 -4.446 11.402 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.473 -3.835 11.160 1.00 0.00 H new ATOM 757 N LEU A 49 -8.905 -1.023 11.237 1.00 0.00 N ATOM 758 CA LEU A 49 -7.897 -0.040 11.618 1.00 0.00 C ATOM 759 C LEU A 49 -8.550 1.266 12.061 1.00 0.00 C ATOM 760 O LEU A 49 -9.650 1.604 11.620 1.00 0.00 O ATOM 761 CB LEU A 49 -6.946 0.223 10.449 1.00 0.00 C ATOM 762 CG LEU A 49 -6.007 -0.924 10.077 1.00 0.00 C ATOM 763 CD1 LEU A 49 -5.302 -0.632 8.761 1.00 0.00 C ATOM 764 CD2 LEU A 49 -4.992 -1.163 11.186 1.00 0.00 C ATOM 0 H LEU A 49 -8.713 -1.504 10.358 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.330 -0.444 12.457 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.542 0.477 9.572 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.341 1.098 10.688 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.601 -1.829 9.954 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.638 -1.460 8.513 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.043 -0.511 7.970 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.720 0.285 8.856 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.332 -1.983 10.904 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.403 -0.259 11.341 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.514 -1.418 12.108 1.00 0.00 H new ATOM 776 N THR A 50 -7.865 1.998 12.934 1.00 0.00 N ATOM 777 CA THR A 50 -8.378 3.267 13.436 1.00 0.00 C ATOM 778 C THR A 50 -7.764 4.443 12.685 1.00 0.00 C ATOM 779 O THR A 50 -6.878 4.264 11.848 1.00 0.00 O ATOM 780 CB THR A 50 -8.097 3.430 14.942 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.694 3.292 15.196 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.867 2.398 15.751 1.00 0.00 C ATOM 0 H THR A 50 -6.954 1.734 13.308 1.00 0.00 H new ATOM 0 HA THR A 50 -9.456 3.259 13.274 1.00 0.00 H new ATOM 0 HB THR A 50 -8.425 4.424 15.245 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.523 3.399 16.155 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.653 2.533 16.811 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.936 2.524 15.578 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.565 1.396 15.444 1.00 0.00 H new ATOM 790 N LEU A 51 -8.238 5.646 12.990 1.00 0.00 N ATOM 791 CA LEU A 51 -7.734 6.853 12.345 1.00 0.00 C ATOM 792 C LEU A 51 -6.217 6.943 12.466 1.00 0.00 C ATOM 793 O LEU A 51 -5.512 7.091 11.469 1.00 0.00 O ATOM 794 CB LEU A 51 -8.382 8.093 12.963 1.00 0.00 C ATOM 795 CG LEU A 51 -8.055 9.427 12.289 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.710 9.951 12.766 1.00 0.00 C ATOM 797 CD2 LEU A 51 -8.065 9.276 10.775 1.00 0.00 C ATOM 0 H LEU A 51 -8.971 5.811 13.680 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.992 6.805 11.287 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.464 7.958 12.951 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.080 8.153 14.009 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.822 10.150 12.567 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.495 10.900 12.276 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.739 10.099 13.846 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.930 9.230 12.519 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.830 10.235 10.312 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.320 8.538 10.478 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.052 8.947 10.449 1.00 0.00 H new ATOM 809 N ALA A 52 -5.720 6.850 13.696 1.00 0.00 N ATOM 810 CA ALA A 52 -4.286 6.917 13.948 1.00 0.00 C ATOM 811 C ALA A 52 -3.535 5.878 13.122 1.00 0.00 C ATOM 812 O ALA A 52 -2.372 6.073 12.772 1.00 0.00 O ATOM 813 CB ALA A 52 -4.001 6.723 15.430 1.00 0.00 C ATOM 0 H ALA A 52 -6.290 6.728 14.533 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.935 7.904 13.648 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.926 6.775 15.604 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.500 7.506 16.002 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.373 5.749 15.748 1.00 0.00 H new ATOM 819 N GLU A 53 -4.208 4.772 12.816 1.00 0.00 N ATOM 820 CA GLU A 53 -3.602 3.702 12.033 1.00 0.00 C ATOM 821 C GLU A 53 -3.523 4.084 10.558 1.00 0.00 C ATOM 822 O GLU A 53 -2.565 3.740 9.866 1.00 0.00 O ATOM 823 CB GLU A 53 -4.401 2.407 12.194 1.00 0.00 C ATOM 824 CG GLU A 53 -4.013 1.601 13.423 1.00 0.00 C ATOM 825 CD GLU A 53 -2.752 0.786 13.212 1.00 0.00 C ATOM 826 OE1 GLU A 53 -2.505 0.363 12.063 1.00 0.00 O ATOM 827 OE2 GLU A 53 -2.013 0.572 14.195 1.00 0.00 O ATOM 0 H GLU A 53 -5.172 4.595 13.098 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.589 3.544 12.404 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.462 2.649 12.249 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.260 1.790 11.306 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.867 2.277 14.265 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.833 0.933 13.689 1.00 0.00 H new ATOM 834 N LYS A 54 -4.538 4.798 10.083 1.00 0.00 N ATOM 835 CA LYS A 54 -4.586 5.229 8.691 1.00 0.00 C ATOM 836 C LYS A 54 -3.807 6.527 8.496 1.00 0.00 C ATOM 837 O LYS A 54 -3.545 6.940 7.367 1.00 0.00 O ATOM 838 CB LYS A 54 -6.037 5.421 8.245 1.00 0.00 C ATOM 839 CG LYS A 54 -6.930 4.232 8.552 1.00 0.00 C ATOM 840 CD LYS A 54 -8.387 4.535 8.246 1.00 0.00 C ATOM 841 CE LYS A 54 -9.168 3.266 7.938 1.00 0.00 C ATOM 842 NZ LYS A 54 -10.637 3.504 7.942 1.00 0.00 N ATOM 0 H LYS A 54 -5.339 5.091 10.642 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.124 4.453 8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.444 6.306 8.733 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.056 5.612 7.172 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.606 3.372 7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.827 3.960 9.602 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.840 5.045 9.096 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.448 5.216 7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.865 2.881 6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.922 2.501 8.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.133 2.615 7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.930 3.848 8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.875 4.216 7.222 1.00 0.00 H new ATOM 856 N ARG A 55 -3.439 7.163 9.604 1.00 0.00 N ATOM 857 CA ARG A 55 -2.690 8.412 9.554 1.00 0.00 C ATOM 858 C ARG A 55 -1.406 8.245 8.746 1.00 0.00 C ATOM 859 O ARG A 55 -1.104 9.028 7.845 1.00 0.00 O ATOM 860 CB ARG A 55 -2.356 8.889 10.968 1.00 0.00 C ATOM 861 CG ARG A 55 -2.337 10.402 11.113 1.00 0.00 C ATOM 862 CD ARG A 55 -3.744 10.968 11.228 1.00 0.00 C ATOM 863 NE ARG A 55 -3.805 12.368 10.818 1.00 0.00 N ATOM 864 CZ ARG A 55 -4.942 13.022 10.605 1.00 0.00 C ATOM 865 NH1 ARG A 55 -6.105 12.405 10.761 1.00 0.00 N ATOM 866 NH2 ARG A 55 -4.916 14.296 10.233 1.00 0.00 N ATOM 0 H ARG A 55 -3.648 6.833 10.546 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.313 9.160 9.063 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.086 8.475 11.664 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.382 8.493 11.255 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.760 10.677 11.996 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.835 10.845 10.253 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.423 10.380 10.611 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.089 10.876 12.258 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.927 12.871 10.688 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.129 11.426 11.045 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.976 12.910 10.597 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.023 14.773 10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.789 14.798 10.070 1.00 0.00 H new ATOM 880 N PRO A 56 -0.632 7.200 9.074 1.00 0.00 N ATOM 881 CA PRO A 56 0.631 6.905 8.391 1.00 0.00 C ATOM 882 C PRO A 56 0.418 6.423 6.960 1.00 0.00 C ATOM 883 O PRO A 56 1.248 6.663 6.083 1.00 0.00 O ATOM 884 CB PRO A 56 1.244 5.792 9.245 1.00 0.00 C ATOM 885 CG PRO A 56 0.081 5.137 9.906 1.00 0.00 C ATOM 886 CD PRO A 56 -0.931 6.225 10.137 1.00 0.00 C ATOM 0 HA PRO A 56 1.262 7.789 8.301 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.801 5.084 8.632 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.941 6.195 9.979 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.331 4.348 9.278 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.377 4.673 10.847 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.951 5.848 10.061 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.827 6.667 11.128 1.00 0.00 H new ATOM 894 N PHE A 57 -0.700 5.742 6.731 1.00 0.00 N ATOM 895 CA PHE A 57 -1.022 5.226 5.405 1.00 0.00 C ATOM 896 C PHE A 57 -1.839 6.240 4.610 1.00 0.00 C ATOM 897 O PHE A 57 -2.014 6.100 3.400 1.00 0.00 O ATOM 898 CB PHE A 57 -1.794 3.910 5.521 1.00 0.00 C ATOM 899 CG PHE A 57 -1.171 2.931 6.475 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.084 2.400 6.221 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.839 2.542 7.625 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.661 1.499 7.097 1.00 0.00 C ATOM 903 CE2 PHE A 57 -1.267 1.642 8.504 1.00 0.00 C ATOM 904 CZ PHE A 57 -0.016 1.119 8.239 1.00 0.00 C ATOM 0 H PHE A 57 -1.398 5.535 7.446 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.087 5.045 4.876 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.813 4.123 5.845 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.863 3.450 4.535 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.617 2.693 5.329 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.818 2.947 7.837 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.640 1.093 6.888 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.798 1.348 9.397 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.432 0.414 8.924 1.00 0.00 H new ATOM 914 N VAL A 58 -2.338 7.260 5.301 1.00 0.00 N ATOM 915 CA VAL A 58 -3.137 8.298 4.660 1.00 0.00 C ATOM 916 C VAL A 58 -2.264 9.463 4.208 1.00 0.00 C ATOM 917 O VAL A 58 -2.493 10.049 3.151 1.00 0.00 O ATOM 918 CB VAL A 58 -4.231 8.828 5.606 1.00 0.00 C ATOM 919 CG1 VAL A 58 -4.752 10.172 5.121 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.364 7.820 5.726 1.00 0.00 C ATOM 0 H VAL A 58 -2.203 7.390 6.304 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.609 7.842 3.790 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.795 8.970 6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.524 10.530 5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.933 10.890 5.091 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.173 10.060 4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.128 8.210 6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.800 7.644 4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.976 6.882 6.123 1.00 0.00 H new ATOM 930 N GLU A 59 -1.261 9.793 5.017 1.00 0.00 N ATOM 931 CA GLU A 59 -0.353 10.889 4.700 1.00 0.00 C ATOM 932 C GLU A 59 0.584 10.505 3.559 1.00 0.00 C ATOM 933 O GLU A 59 1.237 11.362 2.964 1.00 0.00 O ATOM 934 CB GLU A 59 0.462 11.279 5.935 1.00 0.00 C ATOM 935 CG GLU A 59 -0.393 11.662 7.131 1.00 0.00 C ATOM 936 CD GLU A 59 -0.746 13.137 7.149 1.00 0.00 C ATOM 937 OE1 GLU A 59 0.104 13.945 7.577 1.00 0.00 O ATOM 938 OE2 GLU A 59 -1.872 13.481 6.734 1.00 0.00 O ATOM 0 H GLU A 59 -1.057 9.317 5.896 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.951 11.744 4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.107 10.446 6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.113 12.116 5.681 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.310 11.073 7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.138 11.408 8.048 1.00 0.00 H new ATOM 945 N GLU A 60 0.645 9.211 3.259 1.00 0.00 N ATOM 946 CA GLU A 60 1.503 8.714 2.191 1.00 0.00 C ATOM 947 C GLU A 60 0.750 8.669 0.864 1.00 0.00 C ATOM 948 O GLU A 60 1.088 9.385 -0.078 1.00 0.00 O ATOM 949 CB GLU A 60 2.032 7.321 2.537 1.00 0.00 C ATOM 950 CG GLU A 60 2.496 6.528 1.327 1.00 0.00 C ATOM 951 CD GLU A 60 3.625 5.570 1.656 1.00 0.00 C ATOM 952 OE1 GLU A 60 3.631 5.022 2.778 1.00 0.00 O ATOM 953 OE2 GLU A 60 4.502 5.368 0.790 1.00 0.00 O ATOM 0 H GLU A 60 0.110 8.489 3.741 1.00 0.00 H new ATOM 0 HA GLU A 60 2.345 9.399 2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.862 7.420 3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.249 6.761 3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.655 5.967 0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.824 7.218 0.549 1.00 0.00 H new ATOM 960 N ALA A 61 -0.272 7.823 0.799 1.00 0.00 N ATOM 961 CA ALA A 61 -1.074 7.684 -0.410 1.00 0.00 C ATOM 962 C ALA A 61 -1.280 9.034 -1.089 1.00 0.00 C ATOM 963 O ALA A 61 -0.905 9.221 -2.246 1.00 0.00 O ATOM 964 CB ALA A 61 -2.415 7.045 -0.083 1.00 0.00 C ATOM 0 H ALA A 61 -0.565 7.223 1.570 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.535 7.037 -1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.004 6.947 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.252 6.059 0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.952 7.671 0.630 1.00 0.00 H new ATOM 970 N GLU A 62 -1.880 9.972 -0.361 1.00 0.00 N ATOM 971 CA GLU A 62 -2.137 11.304 -0.896 1.00 0.00 C ATOM 972 C GLU A 62 -0.991 11.760 -1.795 1.00 0.00 C ATOM 973 O GLU A 62 -1.173 11.960 -2.996 1.00 0.00 O ATOM 974 CB GLU A 62 -2.335 12.305 0.244 1.00 0.00 C ATOM 975 CG GLU A 62 -2.314 13.756 -0.209 1.00 0.00 C ATOM 976 CD GLU A 62 -3.054 14.675 0.743 1.00 0.00 C ATOM 977 OE1 GLU A 62 -4.299 14.735 0.663 1.00 0.00 O ATOM 978 OE2 GLU A 62 -2.388 15.335 1.568 1.00 0.00 O ATOM 0 H GLU A 62 -2.196 9.834 0.599 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.048 11.259 -1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.286 12.100 0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.553 12.154 0.988 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.280 14.089 -0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.761 13.830 -1.200 1.00 0.00 H new ATOM 985 N ARG A 63 0.188 11.923 -1.204 1.00 0.00 N ATOM 986 CA ARG A 63 1.363 12.357 -1.950 1.00 0.00 C ATOM 987 C ARG A 63 1.463 11.621 -3.283 1.00 0.00 C ATOM 988 O ARG A 63 1.904 12.186 -4.285 1.00 0.00 O ATOM 989 CB ARG A 63 2.631 12.121 -1.128 1.00 0.00 C ATOM 990 CG ARG A 63 2.613 12.803 0.230 1.00 0.00 C ATOM 991 CD ARG A 63 3.506 12.082 1.228 1.00 0.00 C ATOM 992 NE ARG A 63 4.918 12.183 0.870 1.00 0.00 N ATOM 993 CZ ARG A 63 5.909 11.832 1.683 1.00 0.00 C ATOM 994 NH1 ARG A 63 5.643 11.360 2.893 1.00 0.00 N ATOM 995 NH2 ARG A 63 7.169 11.953 1.285 1.00 0.00 N ATOM 0 H ARG A 63 0.355 11.761 -0.211 1.00 0.00 H new ATOM 0 HA ARG A 63 1.262 13.424 -2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.767 11.049 -0.985 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.492 12.478 -1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.944 13.836 0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.592 12.833 0.610 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.353 12.503 2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.219 11.032 1.279 1.00 0.00 H new ATOM 0 HE ARG A 63 5.157 12.542 -0.054 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.676 11.265 3.202 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.406 11.091 3.515 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.377 12.316 0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.929 11.683 1.909 1.00 0.00 H new ATOM 1009 N LEU A 64 1.053 10.358 -3.287 1.00 0.00 N ATOM 1010 CA LEU A 64 1.097 9.543 -4.497 1.00 0.00 C ATOM 1011 C LEU A 64 -0.083 9.860 -5.410 1.00 0.00 C ATOM 1012 O LEU A 64 0.098 10.224 -6.572 1.00 0.00 O ATOM 1013 CB LEU A 64 1.091 8.057 -4.135 1.00 0.00 C ATOM 1014 CG LEU A 64 1.897 7.665 -2.896 1.00 0.00 C ATOM 1015 CD1 LEU A 64 1.819 6.164 -2.661 1.00 0.00 C ATOM 1016 CD2 LEU A 64 3.346 8.109 -3.040 1.00 0.00 C ATOM 0 H LEU A 64 0.686 9.875 -2.467 1.00 0.00 H new ATOM 0 HA LEU A 64 2.019 9.777 -5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.058 7.744 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.474 7.495 -4.986 1.00 0.00 H new ATOM 0 HG LEU A 64 1.467 8.170 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.398 5.904 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.779 5.872 -2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.223 5.639 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.905 7.822 -2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.788 7.632 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.385 9.192 -3.159 1.00 0.00 H new ATOM 1028 N ARG A 65 -1.292 9.721 -4.875 1.00 0.00 N ATOM 1029 CA ARG A 65 -2.502 9.994 -5.642 1.00 0.00 C ATOM 1030 C ARG A 65 -2.421 11.359 -6.318 1.00 0.00 C ATOM 1031 O ARG A 65 -2.921 11.544 -7.428 1.00 0.00 O ATOM 1032 CB ARG A 65 -3.731 9.935 -4.733 1.00 0.00 C ATOM 1033 CG ARG A 65 -4.829 10.908 -5.129 1.00 0.00 C ATOM 1034 CD ARG A 65 -4.719 12.216 -4.362 1.00 0.00 C ATOM 1035 NE ARG A 65 -5.529 12.208 -3.147 1.00 0.00 N ATOM 1036 CZ ARG A 65 -5.943 13.311 -2.532 1.00 0.00 C ATOM 1037 NH1 ARG A 65 -5.625 14.503 -3.017 1.00 0.00 N ATOM 1038 NH2 ARG A 65 -6.678 13.222 -1.431 1.00 0.00 N ATOM 0 H ARG A 65 -1.460 9.421 -3.915 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.593 9.230 -6.415 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.133 8.922 -4.745 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.425 10.144 -3.708 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.772 11.107 -6.199 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.803 10.456 -4.941 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.676 12.397 -4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.035 13.039 -5.003 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.791 11.306 -2.749 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.061 14.575 -3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.944 15.348 -2.543 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.926 12.306 -1.056 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.995 14.069 -0.960 1.00 0.00 H new ATOM 1052 N VAL A 66 -1.789 12.313 -5.642 1.00 0.00 N ATOM 1053 CA VAL A 66 -1.642 13.661 -6.177 1.00 0.00 C ATOM 1054 C VAL A 66 -0.584 13.704 -7.274 1.00 0.00 C ATOM 1055 O VAL A 66 -0.627 14.560 -8.157 1.00 0.00 O ATOM 1056 CB VAL A 66 -1.262 14.665 -5.073 1.00 0.00 C ATOM 1057 CG1 VAL A 66 -2.298 14.652 -3.959 1.00 0.00 C ATOM 1058 CG2 VAL A 66 0.124 14.355 -4.526 1.00 0.00 C ATOM 0 H VAL A 66 -1.370 12.177 -4.722 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.608 13.942 -6.596 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.242 15.665 -5.507 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.012 15.368 -3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.272 14.925 -4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.353 13.654 -3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.377 15.074 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.133 13.348 -4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.856 14.420 -5.331 1.00 0.00 H new ATOM 1068 N GLN A 67 0.363 12.774 -7.212 1.00 0.00 N ATOM 1069 CA GLN A 67 1.433 12.707 -8.201 1.00 0.00 C ATOM 1070 C GLN A 67 0.906 12.195 -9.538 1.00 0.00 C ATOM 1071 O GLN A 67 1.513 12.424 -10.584 1.00 0.00 O ATOM 1072 CB GLN A 67 2.560 11.801 -7.703 1.00 0.00 C ATOM 1073 CG GLN A 67 3.557 12.510 -6.800 1.00 0.00 C ATOM 1074 CD GLN A 67 4.456 11.546 -6.053 1.00 0.00 C ATOM 1075 OE1 GLN A 67 4.900 10.538 -6.604 1.00 0.00 O ATOM 1076 NE2 GLN A 67 4.731 11.850 -4.790 1.00 0.00 N ATOM 0 H GLN A 67 0.412 12.057 -6.488 1.00 0.00 H new ATOM 0 HA GLN A 67 1.824 13.714 -8.346 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.127 10.960 -7.162 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.090 11.389 -8.562 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.170 13.182 -7.400 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.016 13.127 -6.082 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.342 12.695 -4.373 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.331 11.238 -4.237 1.00 0.00 H new ATOM 1085 N HIS A 68 -0.227 11.501 -9.496 1.00 0.00 N ATOM 1086 CA HIS A 68 -0.835 10.956 -10.704 1.00 0.00 C ATOM 1087 C HIS A 68 -1.703 12.004 -11.395 1.00 0.00 C ATOM 1088 O HIS A 68 -1.638 12.173 -12.612 1.00 0.00 O ATOM 1089 CB HIS A 68 -1.675 9.724 -10.367 1.00 0.00 C ATOM 1090 CG HIS A 68 -2.417 9.165 -11.542 1.00 0.00 C ATOM 1091 ND1 HIS A 68 -1.811 8.415 -12.528 1.00 0.00 N ATOM 1092 CD2 HIS A 68 -3.724 9.250 -11.885 1.00 0.00 C ATOM 1093 CE1 HIS A 68 -2.713 8.064 -13.427 1.00 0.00 C ATOM 1094 NE2 HIS A 68 -3.882 8.558 -13.060 1.00 0.00 N ATOM 0 H HIS A 68 -0.742 11.303 -8.638 1.00 0.00 H new ATOM 0 HA HIS A 68 -0.035 10.665 -11.384 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.024 8.951 -9.958 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.390 9.984 -9.587 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.498 9.766 -11.336 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.526 7.473 -14.312 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.759 8.444 -13.567 1.00 0.00 H new ATOM 1103 N MET A 69 -2.515 12.705 -10.609 1.00 0.00 N ATOM 1104 CA MET A 69 -3.395 13.736 -11.146 1.00 0.00 C ATOM 1105 C MET A 69 -2.589 14.928 -11.654 1.00 0.00 C ATOM 1106 O MET A 69 -2.851 15.447 -12.738 1.00 0.00 O ATOM 1107 CB MET A 69 -4.388 14.196 -10.077 1.00 0.00 C ATOM 1108 CG MET A 69 -5.115 13.051 -9.390 1.00 0.00 C ATOM 1109 SD MET A 69 -6.768 13.511 -8.836 1.00 0.00 S ATOM 1110 CE MET A 69 -6.434 14.007 -7.148 1.00 0.00 C ATOM 0 H MET A 69 -2.581 12.578 -9.599 1.00 0.00 H new ATOM 0 HA MET A 69 -3.946 13.308 -11.984 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.856 14.780 -9.326 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.122 14.859 -10.536 1.00 0.00 H new ATOM 0 HG2 MET A 69 -5.188 12.208 -10.077 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.529 12.715 -8.534 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.829 13.256 -6.463 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.358 14.101 -7.003 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.912 14.966 -6.949 1.00 0.00 H new ATOM 1120 N GLN A 70 -1.611 15.355 -10.863 1.00 0.00 N ATOM 1121 CA GLN A 70 -0.769 16.486 -11.234 1.00 0.00 C ATOM 1122 C GLN A 70 -0.095 16.245 -12.581 1.00 0.00 C ATOM 1123 O GLN A 70 0.187 17.187 -13.322 1.00 0.00 O ATOM 1124 CB GLN A 70 0.290 16.735 -10.158 1.00 0.00 C ATOM 1125 CG GLN A 70 1.394 15.690 -10.137 1.00 0.00 C ATOM 1126 CD GLN A 70 2.413 15.939 -9.043 1.00 0.00 C ATOM 1127 OE1 GLN A 70 2.105 15.834 -7.856 1.00 0.00 O ATOM 1128 NE2 GLN A 70 3.637 16.271 -9.439 1.00 0.00 N ATOM 0 H GLN A 70 -1.382 14.936 -9.962 1.00 0.00 H new ATOM 0 HA GLN A 70 -1.405 17.367 -11.319 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.734 17.717 -10.318 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.195 16.759 -9.182 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.952 14.703 -9.999 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.899 15.681 -11.103 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.848 16.347 -10.434 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.366 16.450 -8.748 1.00 0.00 H new ATOM 1137 N ASP A 71 0.159 14.979 -12.891 1.00 0.00 N ATOM 1138 CA ASP A 71 0.799 14.614 -14.150 1.00 0.00 C ATOM 1139 C ASP A 71 -0.127 14.891 -15.330 1.00 0.00 C ATOM 1140 O ASP A 71 0.326 15.051 -16.464 1.00 0.00 O ATOM 1141 CB ASP A 71 1.198 13.138 -14.134 1.00 0.00 C ATOM 1142 CG ASP A 71 2.033 12.751 -15.339 1.00 0.00 C ATOM 1143 OD1 ASP A 71 2.882 13.565 -15.759 1.00 0.00 O ATOM 1144 OD2 ASP A 71 1.836 11.634 -15.864 1.00 0.00 O ATOM 0 H ASP A 71 -0.068 14.188 -12.288 1.00 0.00 H new ATOM 0 HA ASP A 71 1.696 15.223 -14.264 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.759 12.926 -13.224 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.299 12.522 -14.105 1.00 0.00 H new ATOM 1149 N HIS A 72 -1.427 14.944 -15.056 1.00 0.00 N ATOM 1150 CA HIS A 72 -2.417 15.201 -16.096 1.00 0.00 C ATOM 1151 C HIS A 72 -3.661 15.862 -15.510 1.00 0.00 C ATOM 1152 O HIS A 72 -4.326 15.318 -14.628 1.00 0.00 O ATOM 1153 CB HIS A 72 -2.800 13.897 -16.798 1.00 0.00 C ATOM 1154 CG HIS A 72 -3.036 12.757 -15.856 1.00 0.00 C ATOM 1155 ND1 HIS A 72 -4.278 12.449 -15.342 1.00 0.00 N ATOM 1156 CD2 HIS A 72 -2.180 11.847 -15.335 1.00 0.00 C ATOM 1157 CE1 HIS A 72 -4.176 11.400 -14.546 1.00 0.00 C ATOM 1158 NE2 HIS A 72 -2.912 11.015 -14.525 1.00 0.00 N ATOM 0 H HIS A 72 -1.819 14.813 -14.124 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.975 15.881 -16.825 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.701 14.063 -17.388 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.008 13.623 -17.496 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -5.141 12.953 -15.545 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.118 11.787 -15.522 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -4.987 10.936 -14.005 1.00 0.00 H new ATOM 1167 N PRO A 73 -3.984 17.064 -16.010 1.00 0.00 N ATOM 1168 CA PRO A 73 -5.149 17.826 -15.551 1.00 0.00 C ATOM 1169 C PRO A 73 -6.465 17.186 -15.978 1.00 0.00 C ATOM 1170 O PRO A 73 -7.539 17.739 -15.748 1.00 0.00 O ATOM 1171 CB PRO A 73 -4.972 19.187 -16.227 1.00 0.00 C ATOM 1172 CG PRO A 73 -4.151 18.905 -17.438 1.00 0.00 C ATOM 1173 CD PRO A 73 -3.236 17.772 -17.063 1.00 0.00 C ATOM 0 HA PRO A 73 -5.199 17.879 -14.463 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.934 19.624 -16.494 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.472 19.895 -15.566 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -4.783 18.633 -18.283 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.581 19.785 -17.737 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.029 17.124 -17.914 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.275 18.135 -16.698 1.00 0.00 H new ATOM 1181 N ASN A 74 -6.374 16.016 -16.602 1.00 0.00 N ATOM 1182 CA ASN A 74 -7.558 15.300 -17.063 1.00 0.00 C ATOM 1183 C ASN A 74 -8.281 14.637 -15.894 1.00 0.00 C ATOM 1184 O ASN A 74 -8.637 13.460 -15.957 1.00 0.00 O ATOM 1185 CB ASN A 74 -7.171 14.245 -18.101 1.00 0.00 C ATOM 1186 CG ASN A 74 -6.248 14.798 -19.170 1.00 0.00 C ATOM 1187 OD1 ASN A 74 -5.319 14.123 -19.613 1.00 0.00 O ATOM 1188 ND2 ASN A 74 -6.501 16.033 -19.589 1.00 0.00 N ATOM 0 H ASN A 74 -5.492 15.543 -16.800 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.232 16.022 -17.523 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.683 13.409 -17.601 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.073 13.853 -18.571 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.914 16.458 -20.306 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.282 16.556 -19.193 1.00 0.00 H new ATOM 1195 N TYR A 75 -8.497 15.401 -14.829 1.00 0.00 N ATOM 1196 CA TYR A 75 -9.176 14.889 -13.645 1.00 0.00 C ATOM 1197 C TYR A 75 -10.233 15.873 -13.154 1.00 0.00 C ATOM 1198 O TYR A 75 -11.390 15.507 -12.943 1.00 0.00 O ATOM 1199 CB TYR A 75 -8.165 14.611 -12.531 1.00 0.00 C ATOM 1200 CG TYR A 75 -7.546 15.863 -11.950 1.00 0.00 C ATOM 1201 CD1 TYR A 75 -6.443 16.459 -12.548 1.00 0.00 C ATOM 1202 CD2 TYR A 75 -8.066 16.449 -10.802 1.00 0.00 C ATOM 1203 CE1 TYR A 75 -5.875 17.601 -12.020 1.00 0.00 C ATOM 1204 CE2 TYR A 75 -7.505 17.593 -10.268 1.00 0.00 C ATOM 1205 CZ TYR A 75 -6.409 18.165 -10.880 1.00 0.00 C ATOM 1206 OH TYR A 75 -5.846 19.304 -10.351 1.00 0.00 O ATOM 0 H TYR A 75 -8.211 16.378 -14.762 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.672 13.957 -13.917 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.659 14.056 -11.733 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.373 13.972 -12.921 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.023 16.021 -13.441 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.923 16.003 -10.319 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.017 18.051 -12.497 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -7.922 18.037 -9.376 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.342 19.572 -9.549 1.00 0.00 H new ATOM 1216 N LYS A 76 -9.828 17.126 -12.975 1.00 0.00 N ATOM 1217 CA LYS A 76 -10.738 18.166 -12.511 1.00 0.00 C ATOM 1218 C LYS A 76 -10.118 19.549 -12.686 1.00 0.00 C ATOM 1219 O LYS A 76 -9.226 19.939 -11.932 1.00 0.00 O ATOM 1220 CB LYS A 76 -11.099 17.939 -11.041 1.00 0.00 C ATOM 1221 CG LYS A 76 -12.325 17.065 -10.844 1.00 0.00 C ATOM 1222 CD LYS A 76 -12.979 17.318 -9.496 1.00 0.00 C ATOM 1223 CE LYS A 76 -12.408 16.407 -8.420 1.00 0.00 C ATOM 1224 NZ LYS A 76 -11.199 16.996 -7.780 1.00 0.00 N ATOM 0 H LYS A 76 -8.874 17.446 -13.145 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.645 18.115 -13.113 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.250 17.480 -10.534 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.271 18.904 -10.565 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.043 17.260 -11.640 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.041 16.015 -10.920 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.832 18.359 -9.209 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.054 17.159 -9.576 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.167 16.222 -7.660 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.153 15.442 -8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.979 16.474 -6.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.393 16.931 -8.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.379 17.994 -7.550 1.00 0.00 H new ATOM 1238 N SER A 77 -10.597 20.286 -13.683 1.00 0.00 N ATOM 1239 CA SER A 77 -10.088 21.624 -13.957 1.00 0.00 C ATOM 1240 C SER A 77 -11.041 22.392 -14.868 1.00 0.00 C ATOM 1241 O SER A 77 -11.313 21.974 -15.993 1.00 0.00 O ATOM 1242 CB SER A 77 -8.702 21.544 -14.600 1.00 0.00 C ATOM 1243 OG SER A 77 -7.682 21.550 -13.617 1.00 0.00 O ATOM 0 H SER A 77 -11.337 19.979 -14.314 1.00 0.00 H new ATOM 0 HA SER A 77 -10.010 22.157 -13.010 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.628 20.637 -15.200 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.563 22.386 -15.278 1.00 0.00 H new ATOM 0 HG SER A 77 -7.963 21.007 -12.851 1.00 0.00 H new ATOM 1249 N GLY A 78 -11.545 23.518 -14.373 1.00 0.00 N ATOM 1250 CA GLY A 78 -12.462 24.327 -15.155 1.00 0.00 C ATOM 1251 C GLY A 78 -12.961 25.538 -14.393 1.00 0.00 C ATOM 1252 O GLY A 78 -13.180 25.490 -13.182 1.00 0.00 O ATOM 0 H GLY A 78 -11.335 23.885 -13.445 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.964 24.655 -16.067 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.313 23.716 -15.458 1.00 0.00 H new ATOM 1256 N PRO A 79 -13.147 26.658 -15.108 1.00 0.00 N ATOM 1257 CA PRO A 79 -13.624 27.909 -14.511 1.00 0.00 C ATOM 1258 C PRO A 79 -15.084 27.825 -14.080 1.00 0.00 C ATOM 1259 O PRO A 79 -15.952 27.442 -14.864 1.00 0.00 O ATOM 1260 CB PRO A 79 -13.458 28.927 -15.642 1.00 0.00 C ATOM 1261 CG PRO A 79 -13.519 28.118 -16.892 1.00 0.00 C ATOM 1262 CD PRO A 79 -12.906 26.788 -16.555 1.00 0.00 C ATOM 0 HA PRO A 79 -13.074 28.164 -13.605 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -14.248 29.678 -15.618 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.510 29.458 -15.560 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -14.548 27.999 -17.230 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -12.973 28.606 -17.700 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -13.373 25.977 -17.114 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -11.842 26.765 -16.789 1.00 0.00 H new ATOM 1270 N SER A 80 -15.348 28.186 -12.828 1.00 0.00 N ATOM 1271 CA SER A 80 -16.703 28.149 -12.291 1.00 0.00 C ATOM 1272 C SER A 80 -17.354 29.526 -12.364 1.00 0.00 C ATOM 1273 O SER A 80 -17.174 30.358 -11.474 1.00 0.00 O ATOM 1274 CB SER A 80 -16.687 27.655 -10.843 1.00 0.00 C ATOM 1275 OG SER A 80 -16.373 26.274 -10.779 1.00 0.00 O ATOM 0 H SER A 80 -14.641 28.507 -12.167 1.00 0.00 H new ATOM 0 HA SER A 80 -17.289 27.457 -12.897 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.956 28.224 -10.269 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.660 27.832 -10.384 1.00 0.00 H new ATOM 0 HG SER A 80 -16.367 25.983 -9.843 1.00 0.00 H new ATOM 1281 N SER A 81 -18.113 29.760 -13.430 1.00 0.00 N ATOM 1282 CA SER A 81 -18.788 31.038 -13.622 1.00 0.00 C ATOM 1283 C SER A 81 -17.909 32.194 -13.153 1.00 0.00 C ATOM 1284 O SER A 81 -18.392 33.149 -12.546 1.00 0.00 O ATOM 1285 CB SER A 81 -20.118 31.055 -12.866 1.00 0.00 C ATOM 1286 OG SER A 81 -21.066 30.201 -13.483 1.00 0.00 O ATOM 0 H SER A 81 -18.276 29.081 -14.174 1.00 0.00 H new ATOM 0 HA SER A 81 -18.982 31.161 -14.688 1.00 0.00 H new ATOM 0 HB2 SER A 81 -19.958 30.741 -11.835 1.00 0.00 H new ATOM 0 HB3 SER A 81 -20.508 32.072 -12.832 1.00 0.00 H new ATOM 0 HG SER A 81 -21.907 30.228 -12.980 1.00 0.00 H new ATOM 1292 N GLY A 82 -16.614 32.098 -13.439 1.00 0.00 N ATOM 1293 CA GLY A 82 -15.687 33.140 -13.040 1.00 0.00 C ATOM 1294 C GLY A 82 -14.312 32.959 -13.652 1.00 0.00 C ATOM 1295 O GLY A 82 -14.006 33.545 -14.690 1.00 0.00 O ATOM 0 H GLY A 82 -16.191 31.317 -13.940 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.087 34.110 -13.334 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -15.600 33.148 -11.954 1.00 0.00 H new TER 1299 GLY A 82