USER MOD reduce.3.24.130724 H: found=0, std=0, add=1106, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1106 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 92 LYS NZ :NH3+ -132:sc= 0.0931 (180deg=-2.06) USER MOD Set 1.2: A 110 THR OG1 : rot 11:sc= 1.13 USER MOD Set 2.1: A 108 SER OG : rot 180:sc= 0.991 USER MOD Set 2.2: A 124 THR OG1 : rot -88:sc= 1.2 USER MOD Set 3.1: A 95 CYS SG : rot -169:sc= -1.57 USER MOD Set 3.2: A 97 GLN : amide:sc= -1.96 K(o=-3.5,f=-4.3) USER MOD Set 4.1: A 2 ASN : amide:sc= -1.14 K(o=-3.7,f=-8.2) USER MOD Set 4.2: A 91 ASN : amide:sc= -2.56 K(o=-3.7,f=-8.2!) USER MOD Set 5.1: A 75 THR OG1 : rot 88:sc= 0.592 USER MOD Set 5.2: A 81 CYS SG : rot 145:sc= -4.82! USER MOD Set 6.1: A 37 SER OG : rot 180:sc= -0.934 USER MOD Set 6.2: A 57 THR OG1 : rot -24:sc= 0.345 USER MOD Single : A 4 SER OG : rot -7:sc= 0.948 USER MOD Single : A 6 ASN : amide:sc= -2.65 K(o=-2.7,f=-4.3!) USER MOD Single : A 8 LYS NZ :NH3+ -178:sc= -5.12! (180deg=-5.2!) USER MOD Single : A 12 SER OG : rot -170:sc= -3.33! USER MOD Single : A 14 ASN : amide:sc= -1.19 K(o=-1.2,f=-1.7) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.142 K(o=-0.14,f=-1.6!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 159:sc=-0.00679 (180deg=-0.205) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -2.44 X(o=-2.4,f=-2.4) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot -130:sc= -2.79! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0608 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0884 USER MOD Single : A 60 THR OG1 : rot -100:sc= -2.49 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.62! K(o=-1.6!,f=0.002) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -149:sc= -0.5 (180deg=-2.37!) USER MOD Single : A 83 SER OG : rot 117:sc= -0.0162 USER MOD Single : A 86 LYS NZ :NH3+ -157:sc= -1.17 (180deg=-1.69!) USER MOD Single : A 89 SER OG : rot 180:sc= -0.145 USER MOD Single : A 93 MET CE :methyl 170:sc= -5.26! (180deg=-5.44!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.062 USER MOD Single : A 114 THR OG1 : rot 103:sc= 0.756 USER MOD Single : A 115 ASN : amide:sc= -0.0328 K(o=-0.033,f=-1.1) USER MOD Single : A 122 THR OG1 : rot 180:sc= -2.2! USER MOD Single : A 123 MET CE :methyl -144:sc= -0.557 (180deg=-2.76!) USER MOD Single : A 130 CYS SG : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.566 USER MOD Single : A 134 TYR OH : rot -140:sc= -1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -16.736 -1.370 8.258 1.00 0.00 N ATOM 2 CA PRO A 1 -15.500 -0.552 8.503 1.00 0.00 C ATOM 3 C PRO A 1 -15.672 0.858 7.901 1.00 0.00 C ATOM 4 O PRO A 1 -16.785 1.324 7.737 1.00 0.00 O ATOM 5 CB PRO A 1 -14.314 -1.290 7.874 1.00 0.00 C ATOM 6 CG PRO A 1 -14.857 -2.566 7.242 1.00 0.00 C ATOM 7 CD PRO A 1 -16.360 -2.603 7.503 1.00 0.00 C ATOM 0 H2 PRO A 1 -17.419 -0.827 7.729 1.00 0.00 H new ATOM 0 H3 PRO A 1 -17.175 -1.619 9.144 1.00 0.00 H new ATOM 0 HA PRO A 1 -15.323 -0.428 9.571 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.828 -0.667 7.124 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -13.563 -1.524 8.629 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -14.653 -2.580 6.171 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -14.372 -3.443 7.671 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -16.908 -2.654 6.562 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -16.624 -3.493 8.074 1.00 0.00 H new ATOM 17 N ASN A 2 -14.596 1.555 7.603 1.00 0.00 N ATOM 18 CA ASN A 2 -14.738 2.946 7.054 1.00 0.00 C ATOM 19 C ASN A 2 -13.814 3.181 5.868 1.00 0.00 C ATOM 20 O ASN A 2 -13.431 4.298 5.594 1.00 0.00 O ATOM 21 CB ASN A 2 -14.371 3.938 8.148 1.00 0.00 C ATOM 22 CG ASN A 2 -15.440 3.920 9.242 1.00 0.00 C ATOM 23 OD1 ASN A 2 -15.129 3.791 10.410 1.00 0.00 O ATOM 24 ND2 ASN A 2 -16.696 4.044 8.911 1.00 0.00 N ATOM 0 H ASN A 2 -13.637 1.226 7.715 1.00 0.00 H new ATOM 0 HA ASN A 2 -15.768 3.077 6.721 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -13.399 3.684 8.572 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -14.283 4.940 7.729 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -17.417 4.033 9.632 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -16.957 4.152 7.931 1.00 0.00 H new ATOM 31 N PHE A 3 -13.472 2.157 5.160 1.00 0.00 N ATOM 32 CA PHE A 3 -12.568 2.322 3.989 1.00 0.00 C ATOM 33 C PHE A 3 -13.381 2.514 2.704 1.00 0.00 C ATOM 34 O PHE A 3 -12.854 2.945 1.694 1.00 0.00 O ATOM 35 CB PHE A 3 -11.715 1.071 3.826 1.00 0.00 C ATOM 36 CG PHE A 3 -10.902 0.777 5.071 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.520 0.380 6.269 1.00 0.00 C ATOM 38 CD2 PHE A 3 -9.509 0.816 4.995 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.753 0.017 7.367 1.00 0.00 C ATOM 40 CE2 PHE A 3 -8.738 0.474 6.108 1.00 0.00 C ATOM 41 CZ PHE A 3 -9.367 0.062 7.297 1.00 0.00 C ATOM 0 H PHE A 3 -13.779 1.201 5.338 1.00 0.00 H new ATOM 0 HA PHE A 3 -11.942 3.197 4.161 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -12.358 0.220 3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.045 1.196 2.976 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -12.598 0.357 6.336 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -9.027 1.111 4.075 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -11.236 -0.302 8.279 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -7.660 0.526 6.056 1.00 0.00 H new ATOM 0 HZ PHE A 3 -8.773 -0.219 8.154 1.00 0.00 H new ATOM 51 N SER A 4 -14.649 2.182 2.721 1.00 0.00 N ATOM 52 CA SER A 4 -15.479 2.327 1.486 1.00 0.00 C ATOM 53 C SER A 4 -15.510 3.796 1.049 1.00 0.00 C ATOM 54 O SER A 4 -16.119 4.629 1.694 1.00 0.00 O ATOM 55 CB SER A 4 -16.905 1.845 1.765 1.00 0.00 C ATOM 56 OG SER A 4 -17.606 2.830 2.514 1.00 0.00 O ATOM 0 H SER A 4 -15.144 1.818 3.535 1.00 0.00 H new ATOM 0 HA SER A 4 -15.042 1.725 0.689 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.424 1.651 0.826 1.00 0.00 H new ATOM 0 HB3 SER A 4 -16.880 0.905 2.316 1.00 0.00 H new ATOM 0 HG SER A 4 -16.986 3.541 2.780 1.00 0.00 H new ATOM 62 N GLY A 5 -14.858 4.120 -0.042 1.00 0.00 N ATOM 63 CA GLY A 5 -14.855 5.535 -0.518 1.00 0.00 C ATOM 64 C GLY A 5 -13.606 5.799 -1.347 1.00 0.00 C ATOM 65 O GLY A 5 -12.583 5.165 -1.174 1.00 0.00 O ATOM 0 H GLY A 5 -14.330 3.466 -0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.746 5.729 -1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.887 6.215 0.334 1.00 0.00 H new ATOM 69 N ASN A 6 -13.686 6.757 -2.223 1.00 0.00 N ATOM 70 CA ASN A 6 -12.512 7.114 -3.060 1.00 0.00 C ATOM 71 C ASN A 6 -11.565 7.910 -2.184 1.00 0.00 C ATOM 72 O ASN A 6 -11.983 8.462 -1.181 1.00 0.00 O ATOM 73 CB ASN A 6 -12.955 7.958 -4.257 1.00 0.00 C ATOM 74 CG ASN A 6 -11.753 8.231 -5.162 1.00 0.00 C ATOM 75 OD1 ASN A 6 -10.871 8.988 -4.809 1.00 0.00 O ATOM 76 ND2 ASN A 6 -11.680 7.642 -6.324 1.00 0.00 N ATOM 0 H ASN A 6 -14.523 7.313 -2.396 1.00 0.00 H new ATOM 0 HA ASN A 6 -12.024 6.218 -3.445 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -13.733 7.437 -4.815 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -13.386 8.898 -3.913 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -10.883 7.817 -6.935 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -12.420 7.006 -6.621 1.00 0.00 H new ATOM 83 N TRP A 7 -10.295 7.948 -2.504 1.00 0.00 N ATOM 84 CA TRP A 7 -9.360 8.689 -1.608 1.00 0.00 C ATOM 85 C TRP A 7 -8.425 9.617 -2.363 1.00 0.00 C ATOM 86 O TRP A 7 -7.753 9.229 -3.299 1.00 0.00 O ATOM 87 CB TRP A 7 -8.533 7.681 -0.840 1.00 0.00 C ATOM 88 CG TRP A 7 -9.441 6.812 -0.054 1.00 0.00 C ATOM 89 CD1 TRP A 7 -9.865 5.589 -0.422 1.00 0.00 C ATOM 90 CD2 TRP A 7 -10.068 7.107 1.210 1.00 0.00 C ATOM 91 NE1 TRP A 7 -10.672 5.082 0.580 1.00 0.00 N ATOM 92 CE2 TRP A 7 -10.836 5.994 1.609 1.00 0.00 C ATOM 93 CE3 TRP A 7 -10.024 8.226 2.045 1.00 0.00 C ATOM 94 CZ2 TRP A 7 -11.543 5.994 2.812 1.00 0.00 C ATOM 95 CZ3 TRP A 7 -10.736 8.247 3.243 1.00 0.00 C ATOM 96 CH2 TRP A 7 -11.498 7.131 3.634 1.00 0.00 C ATOM 0 H TRP A 7 -9.875 7.510 -3.324 1.00 0.00 H new ATOM 0 HA TRP A 7 -9.962 9.309 -0.944 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -7.938 7.080 -1.528 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -7.835 8.193 -0.178 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -9.617 5.087 -1.346 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -11.093 4.153 0.563 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -9.432 9.083 1.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -12.118 5.129 3.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -10.703 9.123 3.873 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -12.047 7.149 4.564 1.00 0.00 H new ATOM 107 N LYS A 8 -8.359 10.843 -1.918 1.00 0.00 N ATOM 108 CA LYS A 8 -7.445 11.827 -2.550 1.00 0.00 C ATOM 109 C LYS A 8 -6.114 11.761 -1.798 1.00 0.00 C ATOM 110 O LYS A 8 -6.068 11.316 -0.664 1.00 0.00 O ATOM 111 CB LYS A 8 -8.011 13.259 -2.442 1.00 0.00 C ATOM 112 CG LYS A 8 -9.550 13.255 -2.389 1.00 0.00 C ATOM 113 CD LYS A 8 -10.009 13.461 -0.944 1.00 0.00 C ATOM 114 CE LYS A 8 -10.122 14.958 -0.652 1.00 0.00 C ATOM 115 NZ LYS A 8 -8.766 15.577 -0.685 1.00 0.00 N ATOM 0 H LYS A 8 -8.906 11.204 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.324 11.590 -3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.616 13.741 -1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.677 13.849 -3.296 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.949 14.045 -3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.936 12.311 -2.774 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.972 12.975 -0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -9.301 12.998 -0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.769 15.435 -1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.581 15.115 0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.840 16.588 -0.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.152 15.106 0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.358 15.469 -1.636 1.00 0.00 H new ATOM 129 N ILE A 9 -5.037 12.193 -2.406 1.00 0.00 N ATOM 130 CA ILE A 9 -3.718 12.142 -1.705 1.00 0.00 C ATOM 131 C ILE A 9 -3.622 13.309 -0.716 1.00 0.00 C ATOM 132 O ILE A 9 -4.060 14.412 -0.980 1.00 0.00 O ATOM 133 CB ILE A 9 -2.573 12.162 -2.750 1.00 0.00 C ATOM 134 CG1 ILE A 9 -1.336 11.433 -2.186 1.00 0.00 C ATOM 135 CG2 ILE A 9 -2.201 13.597 -3.169 1.00 0.00 C ATOM 136 CD1 ILE A 9 -0.732 12.196 -0.997 1.00 0.00 C ATOM 0 H ILE A 9 -5.014 12.576 -3.351 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.625 11.217 -1.136 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.927 11.644 -3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.616 10.428 -1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.586 11.325 -2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.395 13.565 -3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.071 14.085 -3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.873 14.158 -2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.138 11.656 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.430 13.192 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.475 12.281 -0.204 1.00 0.00 H new ATOM 148 N ILE A 10 -3.048 13.048 0.416 1.00 0.00 N ATOM 149 CA ILE A 10 -2.893 14.083 1.463 1.00 0.00 C ATOM 150 C ILE A 10 -1.637 13.728 2.268 1.00 0.00 C ATOM 151 O ILE A 10 -1.581 12.722 2.944 1.00 0.00 O ATOM 152 CB ILE A 10 -4.162 14.090 2.340 1.00 0.00 C ATOM 153 CG1 ILE A 10 -5.297 14.784 1.571 1.00 0.00 C ATOM 154 CG2 ILE A 10 -3.930 14.838 3.661 1.00 0.00 C ATOM 155 CD1 ILE A 10 -6.139 13.745 0.822 1.00 0.00 C ATOM 0 H ILE A 10 -2.669 12.135 0.666 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.776 15.083 1.046 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.422 13.057 2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.927 15.343 2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.882 15.504 0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.845 14.823 4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.129 14.352 4.218 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.651 15.870 3.450 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.940 14.248 0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.508 13.205 0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.569 13.042 1.536 1.00 0.00 H new ATOM 167 N ARG A 11 -0.622 14.542 2.168 1.00 0.00 N ATOM 168 CA ARG A 11 0.664 14.278 2.891 1.00 0.00 C ATOM 169 C ARG A 11 1.379 13.108 2.226 1.00 0.00 C ATOM 170 O ARG A 11 0.881 11.998 2.199 1.00 0.00 O ATOM 171 CB ARG A 11 0.417 13.944 4.374 1.00 0.00 C ATOM 172 CG ARG A 11 -0.635 14.885 4.982 1.00 0.00 C ATOM 173 CD ARG A 11 -0.261 16.353 4.727 1.00 0.00 C ATOM 174 NE ARG A 11 -0.236 17.091 6.021 1.00 0.00 N ATOM 175 CZ ARG A 11 -0.428 18.382 6.040 1.00 0.00 C ATOM 176 NH1 ARG A 11 -1.626 18.865 5.853 1.00 0.00 N ATOM 177 NH2 ARG A 11 0.577 19.188 6.246 1.00 0.00 N ATOM 0 H ARG A 11 -0.626 15.394 1.607 1.00 0.00 H new ATOM 0 HA ARG A 11 1.276 15.179 2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.083 12.911 4.467 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.351 14.029 4.930 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.613 14.673 4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.715 14.706 6.054 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.714 16.412 4.243 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.981 16.811 4.049 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.069 16.587 6.892 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.411 18.234 5.692 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.777 19.874 5.868 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.513 18.809 6.392 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.427 20.197 6.261 1.00 0.00 H new ATOM 191 N SER A 12 2.545 13.351 1.688 1.00 0.00 N ATOM 192 CA SER A 12 3.303 12.259 1.019 1.00 0.00 C ATOM 193 C SER A 12 4.795 12.614 1.001 1.00 0.00 C ATOM 194 O SER A 12 5.178 13.688 0.576 1.00 0.00 O ATOM 195 CB SER A 12 2.790 12.099 -0.420 1.00 0.00 C ATOM 196 OG SER A 12 2.068 10.882 -0.531 1.00 0.00 O ATOM 0 H SER A 12 3.004 14.262 1.684 1.00 0.00 H new ATOM 0 HA SER A 12 3.162 11.324 1.561 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.149 12.940 -0.685 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.627 12.103 -1.119 1.00 0.00 H new ATOM 0 HG SER A 12 1.876 10.700 -1.475 1.00 0.00 H new ATOM 202 N GLU A 13 5.634 11.717 1.454 1.00 0.00 N ATOM 203 CA GLU A 13 7.102 11.991 1.462 1.00 0.00 C ATOM 204 C GLU A 13 7.844 10.745 1.951 1.00 0.00 C ATOM 205 O GLU A 13 8.502 10.756 2.976 1.00 0.00 O ATOM 206 CB GLU A 13 7.398 13.173 2.391 1.00 0.00 C ATOM 207 CG GLU A 13 8.869 13.571 2.261 1.00 0.00 C ATOM 208 CD GLU A 13 9.209 14.623 3.318 1.00 0.00 C ATOM 209 OE1 GLU A 13 8.485 15.601 3.406 1.00 0.00 O ATOM 210 OE2 GLU A 13 10.188 14.433 4.021 1.00 0.00 O ATOM 0 H GLU A 13 5.364 10.804 1.820 1.00 0.00 H new ATOM 0 HA GLU A 13 7.436 12.239 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.758 14.018 2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.174 12.903 3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.506 12.695 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.063 13.966 1.264 1.00 0.00 H new ATOM 217 N ASN A 14 7.724 9.666 1.225 1.00 0.00 N ATOM 218 CA ASN A 14 8.401 8.398 1.638 1.00 0.00 C ATOM 219 C ASN A 14 9.185 7.780 0.467 1.00 0.00 C ATOM 220 O ASN A 14 10.102 7.022 0.688 1.00 0.00 O ATOM 221 CB ASN A 14 7.344 7.404 2.118 1.00 0.00 C ATOM 222 CG ASN A 14 7.192 7.508 3.637 1.00 0.00 C ATOM 223 OD1 ASN A 14 7.915 6.870 4.377 1.00 0.00 O ATOM 224 ND2 ASN A 14 6.276 8.291 4.138 1.00 0.00 N ATOM 0 H ASN A 14 7.185 9.606 0.361 1.00 0.00 H new ATOM 0 HA ASN A 14 9.104 8.624 2.439 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.390 7.610 1.632 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.631 6.390 1.840 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.168 8.367 5.149 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.669 8.827 3.518 1.00 0.00 H new ATOM 231 N PHE A 15 8.826 8.086 -0.769 1.00 0.00 N ATOM 232 CA PHE A 15 9.538 7.503 -1.969 1.00 0.00 C ATOM 233 C PHE A 15 11.067 7.534 -1.786 1.00 0.00 C ATOM 234 O PHE A 15 11.735 6.534 -1.953 1.00 0.00 O ATOM 235 CB PHE A 15 9.150 8.316 -3.222 1.00 0.00 C ATOM 236 CG PHE A 15 9.423 7.558 -4.529 1.00 0.00 C ATOM 237 CD1 PHE A 15 10.213 6.392 -4.566 1.00 0.00 C ATOM 238 CD2 PHE A 15 8.884 8.054 -5.726 1.00 0.00 C ATOM 239 CE1 PHE A 15 10.456 5.739 -5.778 1.00 0.00 C ATOM 240 CE2 PHE A 15 9.131 7.396 -6.940 1.00 0.00 C ATOM 241 CZ PHE A 15 9.920 6.240 -6.963 1.00 0.00 C ATOM 0 H PHE A 15 8.062 8.721 -1.000 1.00 0.00 H new ATOM 0 HA PHE A 15 9.236 6.462 -2.081 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.092 8.573 -3.170 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.706 9.254 -3.228 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.634 6.000 -3.652 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.276 8.947 -5.712 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.060 4.844 -5.796 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.712 7.782 -7.858 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.113 5.736 -7.899 1.00 0.00 H new ATOM 251 N GLU A 16 11.627 8.654 -1.442 1.00 0.00 N ATOM 252 CA GLU A 16 13.107 8.703 -1.260 1.00 0.00 C ATOM 253 C GLU A 16 13.493 7.866 -0.049 1.00 0.00 C ATOM 254 O GLU A 16 14.507 7.192 -0.053 1.00 0.00 O ATOM 255 CB GLU A 16 13.577 10.150 -1.081 1.00 0.00 C ATOM 256 CG GLU A 16 12.833 10.800 0.089 1.00 0.00 C ATOM 257 CD GLU A 16 13.418 12.189 0.354 1.00 0.00 C ATOM 258 OE1 GLU A 16 14.552 12.257 0.801 1.00 0.00 O ATOM 259 OE2 GLU A 16 12.724 13.160 0.105 1.00 0.00 O ATOM 0 H GLU A 16 11.134 9.532 -1.279 1.00 0.00 H new ATOM 0 HA GLU A 16 13.592 8.297 -2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 16 14.651 10.172 -0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.398 10.715 -1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.770 10.878 -0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.922 10.180 0.981 1.00 0.00 H new ATOM 266 N GLU A 17 12.682 7.874 0.975 1.00 0.00 N ATOM 267 CA GLU A 17 12.989 7.044 2.174 1.00 0.00 C ATOM 268 C GLU A 17 13.026 5.564 1.759 1.00 0.00 C ATOM 269 O GLU A 17 13.628 4.743 2.420 1.00 0.00 O ATOM 270 CB GLU A 17 11.901 7.254 3.224 1.00 0.00 C ATOM 271 CG GLU A 17 12.407 6.792 4.590 1.00 0.00 C ATOM 272 CD GLU A 17 11.355 7.101 5.657 1.00 0.00 C ATOM 273 OE1 GLU A 17 10.834 8.204 5.645 1.00 0.00 O ATOM 274 OE2 GLU A 17 11.089 6.229 6.468 1.00 0.00 O ATOM 0 H GLU A 17 11.822 8.419 1.032 1.00 0.00 H new ATOM 0 HA GLU A 17 13.954 7.333 2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.621 8.307 3.266 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.005 6.697 2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.616 5.722 4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.343 7.295 4.832 1.00 0.00 H new ATOM 281 N LEU A 18 12.389 5.230 0.659 1.00 0.00 N ATOM 282 CA LEU A 18 12.375 3.825 0.176 1.00 0.00 C ATOM 283 C LEU A 18 13.713 3.497 -0.443 1.00 0.00 C ATOM 284 O LEU A 18 14.317 2.490 -0.133 1.00 0.00 O ATOM 285 CB LEU A 18 11.297 3.635 -0.900 1.00 0.00 C ATOM 286 CG LEU A 18 10.027 4.440 -0.617 1.00 0.00 C ATOM 287 CD1 LEU A 18 8.934 3.951 -1.553 1.00 0.00 C ATOM 288 CD2 LEU A 18 9.548 4.271 0.821 1.00 0.00 C ATOM 0 H LEU A 18 11.873 5.887 0.073 1.00 0.00 H new ATOM 0 HA LEU A 18 12.167 3.173 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.701 3.931 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.043 2.577 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 18 10.251 5.495 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.018 4.512 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.247 4.098 -2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.751 2.891 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.644 4.861 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.332 3.220 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.325 4.612 1.506 1.00 0.00 H new ATOM 300 N LEU A 19 14.181 4.339 -1.321 1.00 0.00 N ATOM 301 CA LEU A 19 15.489 4.069 -1.958 1.00 0.00 C ATOM 302 C LEU A 19 16.633 4.488 -1.015 1.00 0.00 C ATOM 303 O LEU A 19 17.796 4.351 -1.341 1.00 0.00 O ATOM 304 CB LEU A 19 15.577 4.817 -3.300 1.00 0.00 C ATOM 305 CG LEU A 19 14.348 4.517 -4.209 1.00 0.00 C ATOM 306 CD1 LEU A 19 13.754 3.118 -3.945 1.00 0.00 C ATOM 307 CD2 LEU A 19 13.267 5.579 -3.976 1.00 0.00 C ATOM 0 H LEU A 19 13.715 5.195 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 19 15.585 3.001 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.640 5.889 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.492 4.529 -3.818 1.00 0.00 H new ATOM 0 HG LEU A 19 14.692 4.542 -5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.900 2.955 -4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.511 2.359 -4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.430 3.050 -2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.407 5.369 -4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.958 5.561 -2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.666 6.564 -4.219 1.00 0.00 H new ATOM 319 N LYS A 20 16.305 4.981 0.158 1.00 0.00 N ATOM 320 CA LYS A 20 17.338 5.393 1.140 1.00 0.00 C ATOM 321 C LYS A 20 17.451 4.333 2.244 1.00 0.00 C ATOM 322 O LYS A 20 18.451 4.238 2.930 1.00 0.00 O ATOM 323 CB LYS A 20 16.897 6.711 1.768 1.00 0.00 C ATOM 324 CG LYS A 20 17.462 7.875 0.962 1.00 0.00 C ATOM 325 CD LYS A 20 17.460 9.143 1.817 1.00 0.00 C ATOM 326 CE LYS A 20 18.648 10.024 1.427 1.00 0.00 C ATOM 327 NZ LYS A 20 19.135 10.762 2.626 1.00 0.00 N ATOM 0 H LYS A 20 15.344 5.114 0.473 1.00 0.00 H new ATOM 0 HA LYS A 20 18.302 5.503 0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.809 6.767 1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 20 17.243 6.768 2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 20 18.477 7.646 0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.866 8.030 0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 20 16.527 9.689 1.675 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.519 8.882 2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.449 9.411 1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.352 10.728 0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 19.943 11.361 2.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 18.370 11.359 3.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.433 10.082 3.355 1.00 0.00 H new ATOM 341 N VAL A 21 16.420 3.549 2.421 1.00 0.00 N ATOM 342 CA VAL A 21 16.422 2.503 3.468 1.00 0.00 C ATOM 343 C VAL A 21 16.759 1.159 2.835 1.00 0.00 C ATOM 344 O VAL A 21 17.361 0.308 3.463 1.00 0.00 O ATOM 345 CB VAL A 21 15.043 2.446 4.126 1.00 0.00 C ATOM 346 CG1 VAL A 21 14.726 3.801 4.761 1.00 0.00 C ATOM 347 CG2 VAL A 21 13.971 2.108 3.081 1.00 0.00 C ATOM 0 H VAL A 21 15.563 3.596 1.870 1.00 0.00 H new ATOM 0 HA VAL A 21 17.169 2.736 4.227 1.00 0.00 H new ATOM 0 HB VAL A 21 15.047 1.672 4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.743 3.762 5.230 1.00 0.00 H new ATOM 0 HG12 VAL A 21 15.479 4.035 5.514 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.730 4.573 3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.993 2.070 3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.965 2.874 2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.192 1.139 2.633 1.00 0.00 H new ATOM 357 N LEU A 22 16.414 0.968 1.575 1.00 0.00 N ATOM 358 CA LEU A 22 16.768 -0.319 0.900 1.00 0.00 C ATOM 359 C LEU A 22 18.285 -0.507 1.008 1.00 0.00 C ATOM 360 O LEU A 22 18.794 -1.612 0.969 1.00 0.00 O ATOM 361 CB LEU A 22 16.309 -0.318 -0.584 1.00 0.00 C ATOM 362 CG LEU A 22 16.864 0.861 -1.407 1.00 0.00 C ATOM 363 CD1 LEU A 22 18.382 0.746 -1.620 1.00 0.00 C ATOM 364 CD2 LEU A 22 16.183 0.823 -2.778 1.00 0.00 C ATOM 0 H LEU A 22 15.910 1.641 0.997 1.00 0.00 H new ATOM 0 HA LEU A 22 16.254 -1.148 1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 22 16.619 -1.253 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 22 15.220 -0.291 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 22 16.668 1.789 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.733 1.597 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 22 18.885 0.738 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 22 18.606 -0.178 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.552 1.646 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.407 -0.124 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 22 15.105 0.920 -2.651 1.00 0.00 H new ATOM 376 N GLY A 23 19.005 0.585 1.157 1.00 0.00 N ATOM 377 CA GLY A 23 20.471 0.508 1.284 1.00 0.00 C ATOM 378 C GLY A 23 21.112 1.502 0.334 1.00 0.00 C ATOM 379 O GLY A 23 21.620 1.139 -0.709 1.00 0.00 O ATOM 0 H GLY A 23 18.620 1.529 1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 23 20.770 0.724 2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.814 -0.501 1.058 1.00 0.00 H new ATOM 383 N VAL A 24 21.081 2.761 0.687 1.00 0.00 N ATOM 384 CA VAL A 24 21.680 3.818 -0.187 1.00 0.00 C ATOM 385 C VAL A 24 23.103 3.406 -0.632 1.00 0.00 C ATOM 386 O VAL A 24 23.871 2.837 0.119 1.00 0.00 O ATOM 387 CB VAL A 24 21.660 5.172 0.585 1.00 0.00 C ATOM 388 CG1 VAL A 24 23.070 5.705 0.906 1.00 0.00 C ATOM 389 CG2 VAL A 24 20.924 6.220 -0.256 1.00 0.00 C ATOM 0 H VAL A 24 20.663 3.107 1.551 1.00 0.00 H new ATOM 0 HA VAL A 24 21.096 3.938 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 24 21.153 4.989 1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 24 22.988 6.650 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 24 23.601 4.981 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 24 23.620 5.862 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 24 20.907 7.169 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 24 21.439 6.349 -1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 24 19.902 5.888 -0.438 1.00 0.00 H new ATOM 399 N ASN A 25 23.425 3.699 -1.854 1.00 0.00 N ATOM 400 CA ASN A 25 24.762 3.354 -2.416 1.00 0.00 C ATOM 401 C ASN A 25 24.753 3.832 -3.859 1.00 0.00 C ATOM 402 O ASN A 25 24.686 3.049 -4.783 1.00 0.00 O ATOM 403 CB ASN A 25 24.983 1.837 -2.361 1.00 0.00 C ATOM 404 CG ASN A 25 26.477 1.536 -2.205 1.00 0.00 C ATOM 405 OD1 ASN A 25 27.312 2.390 -2.431 1.00 0.00 O ATOM 406 ND2 ASN A 25 26.851 0.345 -1.826 1.00 0.00 N ATOM 0 H ASN A 25 22.804 4.176 -2.508 1.00 0.00 H new ATOM 0 HA ASN A 25 25.565 3.823 -1.848 1.00 0.00 H new ATOM 0 HB2 ASN A 25 24.427 1.409 -1.526 1.00 0.00 H new ATOM 0 HB3 ASN A 25 24.602 1.371 -3.270 1.00 0.00 H new ATOM 0 HD21 ASN A 25 27.843 0.132 -1.720 1.00 0.00 H new ATOM 0 HD22 ASN A 25 26.152 -0.373 -1.636 1.00 0.00 H new ATOM 413 N VAL A 26 24.746 5.138 -4.020 1.00 0.00 N ATOM 414 CA VAL A 26 24.664 5.804 -5.364 1.00 0.00 C ATOM 415 C VAL A 26 23.190 6.058 -5.697 1.00 0.00 C ATOM 416 O VAL A 26 22.877 6.891 -6.527 1.00 0.00 O ATOM 417 CB VAL A 26 25.315 4.989 -6.492 1.00 0.00 C ATOM 418 CG1 VAL A 26 25.338 5.834 -7.762 1.00 0.00 C ATOM 419 CG2 VAL A 26 26.745 4.615 -6.097 1.00 0.00 C ATOM 0 H VAL A 26 24.796 5.795 -3.241 1.00 0.00 H new ATOM 0 HA VAL A 26 25.223 6.738 -5.298 1.00 0.00 H new ATOM 0 HB VAL A 26 24.744 4.077 -6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 26 25.798 5.265 -8.570 1.00 0.00 H new ATOM 0 HG12 VAL A 26 24.318 6.100 -8.041 1.00 0.00 H new ATOM 0 HG13 VAL A 26 25.914 6.742 -7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 26 27.205 4.037 -6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 26 27.324 5.522 -5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 26 26.726 4.019 -5.185 1.00 0.00 H new ATOM 429 N MET A 27 22.275 5.388 -5.023 1.00 0.00 N ATOM 430 CA MET A 27 20.832 5.634 -5.262 1.00 0.00 C ATOM 431 C MET A 27 20.570 7.070 -4.840 1.00 0.00 C ATOM 432 O MET A 27 20.067 7.870 -5.604 1.00 0.00 O ATOM 433 CB MET A 27 19.999 4.688 -4.391 1.00 0.00 C ATOM 434 CG MET A 27 20.471 3.236 -4.573 1.00 0.00 C ATOM 435 SD MET A 27 19.323 2.342 -5.654 1.00 0.00 S ATOM 436 CE MET A 27 20.057 0.699 -5.457 1.00 0.00 C ATOM 0 H MET A 27 22.480 4.681 -4.317 1.00 0.00 H new ATOM 0 HA MET A 27 20.566 5.466 -6.306 1.00 0.00 H new ATOM 0 HB2 MET A 27 20.086 4.977 -3.344 1.00 0.00 H new ATOM 0 HB3 MET A 27 18.945 4.771 -4.658 1.00 0.00 H new ATOM 0 HG2 MET A 27 21.473 3.222 -5.002 1.00 0.00 H new ATOM 0 HG3 MET A 27 20.532 2.740 -3.604 1.00 0.00 H new ATOM 0 HE1 MET A 27 19.496 -0.024 -6.049 1.00 0.00 H new ATOM 0 HE2 MET A 27 21.093 0.720 -5.796 1.00 0.00 H new ATOM 0 HE3 MET A 27 20.025 0.410 -4.407 1.00 0.00 H new ATOM 446 N LEU A 28 20.950 7.406 -3.620 1.00 0.00 N ATOM 447 CA LEU A 28 20.770 8.802 -3.113 1.00 0.00 C ATOM 448 C LEU A 28 19.349 9.260 -3.425 1.00 0.00 C ATOM 449 O LEU A 28 19.127 9.974 -4.380 1.00 0.00 O ATOM 450 CB LEU A 28 21.804 9.695 -3.806 1.00 0.00 C ATOM 451 CG LEU A 28 22.787 10.283 -2.780 1.00 0.00 C ATOM 452 CD1 LEU A 28 22.027 11.101 -1.732 1.00 0.00 C ATOM 453 CD2 LEU A 28 23.547 9.148 -2.086 1.00 0.00 C ATOM 0 H LEU A 28 21.379 6.763 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 28 20.918 8.856 -2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 28 22.350 9.117 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 28 21.298 10.502 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 28 23.492 10.933 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 28 22.732 11.513 -1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 28 21.493 11.915 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 28 21.314 10.458 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 28 24.243 9.567 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 28 22.839 8.495 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 28 24.100 8.573 -2.829 1.00 0.00 H new ATOM 465 N ARG A 29 18.381 8.754 -2.676 1.00 0.00 N ATOM 466 CA ARG A 29 16.932 9.047 -2.958 1.00 0.00 C ATOM 467 C ARG A 29 16.683 8.849 -4.463 1.00 0.00 C ATOM 468 O ARG A 29 15.847 9.498 -5.061 1.00 0.00 O ATOM 469 CB ARG A 29 16.550 10.476 -2.509 1.00 0.00 C ATOM 470 CG ARG A 29 17.265 11.540 -3.346 1.00 0.00 C ATOM 471 CD ARG A 29 16.611 12.903 -3.109 1.00 0.00 C ATOM 472 NE ARG A 29 17.360 13.635 -2.049 1.00 0.00 N ATOM 473 CZ ARG A 29 16.823 14.674 -1.471 1.00 0.00 C ATOM 474 NH1 ARG A 29 16.430 15.690 -2.189 1.00 0.00 N ATOM 475 NH2 ARG A 29 16.679 14.696 -0.174 1.00 0.00 N ATOM 0 H ARG A 29 18.540 8.144 -1.874 1.00 0.00 H new ATOM 0 HA ARG A 29 16.302 8.363 -2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 29 15.472 10.609 -2.595 1.00 0.00 H new ATOM 0 HB3 ARG A 29 16.805 10.608 -1.457 1.00 0.00 H new ATOM 0 HG2 ARG A 29 18.321 11.580 -3.077 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.215 11.280 -4.403 1.00 0.00 H new ATOM 0 HD2 ARG A 29 16.607 13.482 -4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.571 12.772 -2.810 1.00 0.00 H new ATOM 0 HE ARG A 29 18.292 13.324 -1.775 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.543 15.672 -3.203 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.010 16.502 -1.737 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.986 13.901 0.387 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.259 15.508 0.279 1.00 0.00 H new ATOM 489 N LYS A 30 17.461 7.955 -5.066 1.00 0.00 N ATOM 490 CA LYS A 30 17.383 7.672 -6.531 1.00 0.00 C ATOM 491 C LYS A 30 17.204 8.970 -7.319 1.00 0.00 C ATOM 492 O LYS A 30 16.102 9.420 -7.553 1.00 0.00 O ATOM 493 CB LYS A 30 16.251 6.692 -6.824 1.00 0.00 C ATOM 494 CG LYS A 30 16.844 5.298 -7.079 1.00 0.00 C ATOM 495 CD LYS A 30 15.744 4.343 -7.563 1.00 0.00 C ATOM 496 CE LYS A 30 16.230 3.573 -8.794 1.00 0.00 C ATOM 497 NZ LYS A 30 15.792 4.284 -10.029 1.00 0.00 N ATOM 0 H LYS A 30 18.163 7.401 -4.576 1.00 0.00 H new ATOM 0 HA LYS A 30 18.319 7.212 -6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 30 15.557 6.657 -5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.683 7.023 -7.693 1.00 0.00 H new ATOM 0 HG2 LYS A 30 17.637 5.361 -7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 30 17.296 4.913 -6.165 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.479 3.646 -6.768 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.843 4.906 -7.807 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.316 3.487 -8.777 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.830 2.559 -8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.122 3.762 -10.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.754 4.344 -10.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.194 5.243 -10.039 1.00 0.00 H new ATOM 511 N ILE A 31 18.297 9.584 -7.704 1.00 0.00 N ATOM 512 CA ILE A 31 18.228 10.873 -8.471 1.00 0.00 C ATOM 513 C ILE A 31 17.229 10.754 -9.635 1.00 0.00 C ATOM 514 O ILE A 31 16.634 11.730 -10.053 1.00 0.00 O ATOM 515 CB ILE A 31 19.613 11.214 -9.020 1.00 0.00 C ATOM 516 CG1 ILE A 31 20.652 11.165 -7.883 1.00 0.00 C ATOM 517 CG2 ILE A 31 19.585 12.617 -9.631 1.00 0.00 C ATOM 518 CD1 ILE A 31 21.546 9.934 -8.053 1.00 0.00 C ATOM 0 H ILE A 31 19.242 9.247 -7.519 1.00 0.00 H new ATOM 0 HA ILE A 31 17.892 11.664 -7.800 1.00 0.00 H new ATOM 0 HB ILE A 31 19.887 10.488 -9.785 1.00 0.00 H new ATOM 0 HG12 ILE A 31 21.258 12.071 -7.892 1.00 0.00 H new ATOM 0 HG13 ILE A 31 20.147 11.129 -6.918 1.00 0.00 H new ATOM 0 HG21 ILE A 31 20.572 12.863 -10.023 1.00 0.00 H new ATOM 0 HG22 ILE A 31 18.855 12.647 -10.440 1.00 0.00 H new ATOM 0 HG23 ILE A 31 19.308 13.342 -8.865 1.00 0.00 H new ATOM 0 HD11 ILE A 31 22.279 9.903 -7.247 1.00 0.00 H new ATOM 0 HD12 ILE A 31 20.934 9.033 -8.022 1.00 0.00 H new ATOM 0 HD13 ILE A 31 22.062 9.989 -9.011 1.00 0.00 H new ATOM 530 N ALA A 32 17.028 9.561 -10.142 1.00 0.00 N ATOM 531 CA ALA A 32 16.053 9.369 -11.257 1.00 0.00 C ATOM 532 C ALA A 32 14.639 9.570 -10.706 1.00 0.00 C ATOM 533 O ALA A 32 13.829 10.269 -11.283 1.00 0.00 O ATOM 534 CB ALA A 32 16.188 7.953 -11.821 1.00 0.00 C ATOM 0 H ALA A 32 17.499 8.712 -9.830 1.00 0.00 H new ATOM 0 HA ALA A 32 16.250 10.087 -12.053 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.475 7.816 -12.634 1.00 0.00 H new ATOM 0 HB2 ALA A 32 17.200 7.806 -12.197 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.984 7.227 -11.034 1.00 0.00 H new ATOM 540 N VAL A 33 14.346 8.962 -9.580 1.00 0.00 N ATOM 541 CA VAL A 33 12.994 9.102 -8.942 1.00 0.00 C ATOM 542 C VAL A 33 12.590 10.588 -8.873 1.00 0.00 C ATOM 543 O VAL A 33 13.425 11.463 -8.744 1.00 0.00 O ATOM 544 CB VAL A 33 13.056 8.504 -7.520 1.00 0.00 C ATOM 545 CG1 VAL A 33 11.763 8.799 -6.749 1.00 0.00 C ATOM 546 CG2 VAL A 33 13.254 6.990 -7.614 1.00 0.00 C ATOM 0 H VAL A 33 14.996 8.365 -9.068 1.00 0.00 H new ATOM 0 HA VAL A 33 12.249 8.572 -9.536 1.00 0.00 H new ATOM 0 HB VAL A 33 13.892 8.959 -6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 33 11.829 8.368 -5.750 1.00 0.00 H new ATOM 0 HG12 VAL A 33 11.624 9.877 -6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.916 8.361 -7.278 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.298 6.566 -6.611 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.420 6.547 -8.159 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.185 6.777 -8.139 1.00 0.00 H new ATOM 556 N ALA A 34 11.313 10.863 -8.955 1.00 0.00 N ATOM 557 CA ALA A 34 10.836 12.276 -8.892 1.00 0.00 C ATOM 558 C ALA A 34 9.308 12.300 -8.955 1.00 0.00 C ATOM 559 O ALA A 34 8.668 11.273 -9.084 1.00 0.00 O ATOM 560 CB ALA A 34 11.408 13.063 -10.074 1.00 0.00 C ATOM 0 H ALA A 34 10.577 10.165 -9.063 1.00 0.00 H new ATOM 0 HA ALA A 34 11.169 12.731 -7.959 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.059 14.095 -10.027 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.497 13.046 -10.030 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.076 12.610 -11.008 1.00 0.00 H new ATOM 566 N ALA A 35 8.720 13.466 -8.862 1.00 0.00 N ATOM 567 CA ALA A 35 7.232 13.568 -8.914 1.00 0.00 C ATOM 568 C ALA A 35 6.757 13.401 -10.359 1.00 0.00 C ATOM 569 O ALA A 35 7.033 14.226 -11.210 1.00 0.00 O ATOM 570 CB ALA A 35 6.795 14.937 -8.389 1.00 0.00 C ATOM 0 H ALA A 35 9.209 14.354 -8.752 1.00 0.00 H new ATOM 0 HA ALA A 35 6.794 12.785 -8.295 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.708 15.011 -8.427 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.131 15.056 -7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.234 15.721 -9.006 1.00 0.00 H new ATOM 576 N ALA A 36 6.043 12.340 -10.638 1.00 0.00 N ATOM 577 CA ALA A 36 5.543 12.110 -12.024 1.00 0.00 C ATOM 578 C ALA A 36 4.176 12.777 -12.189 1.00 0.00 C ATOM 579 O ALA A 36 3.967 13.571 -13.087 1.00 0.00 O ATOM 580 CB ALA A 36 5.411 10.607 -12.275 1.00 0.00 C ATOM 0 H ALA A 36 5.785 11.621 -9.962 1.00 0.00 H new ATOM 0 HA ALA A 36 6.245 12.537 -12.740 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.046 10.438 -13.288 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.385 10.131 -12.156 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.709 10.179 -11.560 1.00 0.00 H new ATOM 586 N SER A 37 3.244 12.457 -11.326 1.00 0.00 N ATOM 587 CA SER A 37 1.886 13.066 -11.422 1.00 0.00 C ATOM 588 C SER A 37 1.114 12.797 -10.129 1.00 0.00 C ATOM 589 O SER A 37 1.418 11.875 -9.397 1.00 0.00 O ATOM 590 CB SER A 37 1.134 12.452 -12.603 1.00 0.00 C ATOM 591 OG SER A 37 1.555 11.105 -12.778 1.00 0.00 O ATOM 0 H SER A 37 3.368 11.798 -10.557 1.00 0.00 H new ATOM 0 HA SER A 37 1.980 14.142 -11.572 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.059 12.489 -12.424 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.326 13.026 -13.510 1.00 0.00 H new ATOM 0 HG SER A 37 1.074 10.707 -13.533 1.00 0.00 H new ATOM 597 N LYS A 38 0.118 13.598 -9.846 1.00 0.00 N ATOM 598 CA LYS A 38 -0.684 13.401 -8.602 1.00 0.00 C ATOM 599 C LYS A 38 -1.367 12.017 -8.644 1.00 0.00 C ATOM 600 O LYS A 38 -2.238 11.807 -9.466 1.00 0.00 O ATOM 601 CB LYS A 38 -1.756 14.490 -8.519 1.00 0.00 C ATOM 602 CG LYS A 38 -2.350 14.516 -7.109 1.00 0.00 C ATOM 603 CD LYS A 38 -3.043 15.858 -6.872 1.00 0.00 C ATOM 604 CE LYS A 38 -4.522 15.743 -7.246 1.00 0.00 C ATOM 605 NZ LYS A 38 -5.246 14.982 -6.189 1.00 0.00 N ATOM 0 H LYS A 38 -0.175 14.384 -10.427 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.030 13.458 -7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.323 15.461 -8.760 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.540 14.300 -9.252 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.063 13.700 -6.988 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.564 14.365 -6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.943 16.151 -5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.566 16.636 -7.468 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.958 16.736 -7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.627 15.240 -8.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.262 15.198 -6.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.101 13.962 -6.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.881 15.254 -5.254 1.00 0.00 H new ATOM 619 N PRO A 39 -0.972 11.099 -7.771 1.00 0.00 N ATOM 620 CA PRO A 39 -1.571 9.752 -7.745 1.00 0.00 C ATOM 621 C PRO A 39 -2.940 9.786 -7.059 1.00 0.00 C ATOM 622 O PRO A 39 -3.398 10.824 -6.620 1.00 0.00 O ATOM 623 CB PRO A 39 -0.573 8.923 -6.931 1.00 0.00 C ATOM 624 CG PRO A 39 0.229 9.924 -6.069 1.00 0.00 C ATOM 625 CD PRO A 39 0.084 11.300 -6.745 1.00 0.00 C ATOM 0 HA PRO A 39 -1.741 9.343 -8.741 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.092 8.199 -6.303 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.089 8.359 -7.588 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.154 9.951 -5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.277 9.630 -6.008 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.202 12.068 -6.026 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.022 11.621 -7.198 1.00 0.00 H new ATOM 633 N ALA A 40 -3.592 8.655 -6.968 1.00 0.00 N ATOM 634 CA ALA A 40 -4.933 8.606 -6.314 1.00 0.00 C ATOM 635 C ALA A 40 -5.352 7.147 -6.126 1.00 0.00 C ATOM 636 O ALA A 40 -4.575 6.238 -6.350 1.00 0.00 O ATOM 637 CB ALA A 40 -5.958 9.320 -7.198 1.00 0.00 C ATOM 0 H ALA A 40 -3.251 7.760 -7.320 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.884 9.100 -5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.937 9.284 -6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.659 10.359 -7.336 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.009 8.826 -8.168 1.00 0.00 H new ATOM 643 N VAL A 41 -6.575 6.918 -5.718 1.00 0.00 N ATOM 644 CA VAL A 41 -7.054 5.520 -5.514 1.00 0.00 C ATOM 645 C VAL A 41 -8.577 5.521 -5.367 1.00 0.00 C ATOM 646 O VAL A 41 -9.208 6.562 -5.347 1.00 0.00 O ATOM 647 CB VAL A 41 -6.370 4.922 -4.254 1.00 0.00 C ATOM 648 CG1 VAL A 41 -7.132 5.271 -2.965 1.00 0.00 C ATOM 649 CG2 VAL A 41 -6.279 3.395 -4.391 1.00 0.00 C ATOM 0 H VAL A 41 -7.264 7.643 -5.517 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.793 4.903 -6.374 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.373 5.357 -4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.619 4.833 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.173 6.354 -2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.145 4.874 -3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.799 2.978 -3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.281 2.978 -4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.692 3.143 -5.274 1.00 0.00 H new ATOM 659 N GLU A 42 -9.156 4.363 -5.229 1.00 0.00 N ATOM 660 CA GLU A 42 -10.623 4.283 -5.040 1.00 0.00 C ATOM 661 C GLU A 42 -10.971 2.961 -4.367 1.00 0.00 C ATOM 662 O GLU A 42 -10.766 1.897 -4.921 1.00 0.00 O ATOM 663 CB GLU A 42 -11.337 4.396 -6.385 1.00 0.00 C ATOM 664 CG GLU A 42 -10.809 3.325 -7.337 1.00 0.00 C ATOM 665 CD GLU A 42 -10.904 3.834 -8.776 1.00 0.00 C ATOM 666 OE1 GLU A 42 -11.945 3.644 -9.383 1.00 0.00 O ATOM 667 OE2 GLU A 42 -9.934 4.405 -9.247 1.00 0.00 O ATOM 0 H GLU A 42 -8.671 3.466 -5.239 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.951 5.108 -4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.412 4.278 -6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.177 5.386 -6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.775 3.083 -7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.386 2.407 -7.225 1.00 0.00 H new ATOM 674 N ILE A 43 -11.486 3.024 -3.166 1.00 0.00 N ATOM 675 CA ILE A 43 -11.841 1.779 -2.438 1.00 0.00 C ATOM 676 C ILE A 43 -13.319 1.466 -2.645 1.00 0.00 C ATOM 677 O ILE A 43 -14.144 2.344 -2.809 1.00 0.00 O ATOM 678 CB ILE A 43 -11.553 1.953 -0.944 1.00 0.00 C ATOM 679 CG1 ILE A 43 -10.064 2.270 -0.741 1.00 0.00 C ATOM 680 CG2 ILE A 43 -11.913 0.669 -0.180 1.00 0.00 C ATOM 681 CD1 ILE A 43 -9.193 1.115 -1.251 1.00 0.00 C ATOM 0 H ILE A 43 -11.675 3.889 -2.660 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.242 0.954 -2.824 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.158 2.775 -0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.806 3.188 -1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.864 2.444 0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.703 0.806 0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -12.972 0.450 -0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.319 -0.161 -0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.141 1.358 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.438 0.205 -0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.380 0.960 -2.314 1.00 0.00 H new ATOM 693 N LYS A 44 -13.638 0.209 -2.629 1.00 0.00 N ATOM 694 CA LYS A 44 -15.042 -0.233 -2.817 1.00 0.00 C ATOM 695 C LYS A 44 -15.221 -1.487 -1.971 1.00 0.00 C ATOM 696 O LYS A 44 -14.611 -2.501 -2.236 1.00 0.00 O ATOM 697 CB LYS A 44 -15.260 -0.547 -4.301 1.00 0.00 C ATOM 698 CG LYS A 44 -14.812 0.650 -5.145 1.00 0.00 C ATOM 699 CD LYS A 44 -15.447 0.577 -6.531 1.00 0.00 C ATOM 700 CE LYS A 44 -14.962 -0.674 -7.269 1.00 0.00 C ATOM 701 NZ LYS A 44 -16.097 -1.274 -8.027 1.00 0.00 N ATOM 0 H LYS A 44 -12.970 -0.549 -2.490 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.760 0.531 -2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.696 -1.436 -4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.312 -0.764 -4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.098 1.580 -4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.726 0.657 -5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.533 0.557 -6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.191 1.468 -7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.151 -0.416 -7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.563 -1.397 -6.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.769 -2.124 -8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.857 -1.534 -7.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.458 -0.583 -8.716 1.00 0.00 H new ATOM 715 N GLN A 45 -15.995 -1.423 -0.920 1.00 0.00 N ATOM 716 CA GLN A 45 -16.114 -2.623 -0.044 1.00 0.00 C ATOM 717 C GLN A 45 -17.520 -2.812 0.516 1.00 0.00 C ATOM 718 O GLN A 45 -18.252 -1.873 0.760 1.00 0.00 O ATOM 719 CB GLN A 45 -15.136 -2.464 1.121 1.00 0.00 C ATOM 720 CG GLN A 45 -15.320 -1.089 1.784 1.00 0.00 C ATOM 721 CD GLN A 45 -15.674 -1.262 3.265 1.00 0.00 C ATOM 722 OE1 GLN A 45 -15.179 -0.541 4.107 1.00 0.00 O ATOM 723 NE2 GLN A 45 -16.517 -2.194 3.619 1.00 0.00 N ATOM 0 H GLN A 45 -16.540 -0.609 -0.635 1.00 0.00 H new ATOM 0 HA GLN A 45 -15.888 -3.501 -0.649 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.300 -3.254 1.854 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.112 -2.569 0.763 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.405 -0.504 1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -16.109 -0.534 1.276 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -16.933 -2.800 2.912 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.759 -2.316 4.602 1.00 0.00 H new ATOM 732 N GLU A 46 -17.868 -4.048 0.750 1.00 0.00 N ATOM 733 CA GLU A 46 -19.191 -4.385 1.331 1.00 0.00 C ATOM 734 C GLU A 46 -18.955 -5.283 2.550 1.00 0.00 C ATOM 735 O GLU A 46 -18.957 -6.497 2.446 1.00 0.00 O ATOM 736 CB GLU A 46 -20.028 -5.135 0.295 1.00 0.00 C ATOM 737 CG GLU A 46 -21.502 -5.068 0.690 1.00 0.00 C ATOM 738 CD GLU A 46 -22.331 -5.918 -0.274 1.00 0.00 C ATOM 739 OE1 GLU A 46 -22.569 -5.461 -1.380 1.00 0.00 O ATOM 740 OE2 GLU A 46 -22.715 -7.010 0.110 1.00 0.00 O ATOM 0 H GLU A 46 -17.274 -4.854 0.557 1.00 0.00 H new ATOM 0 HA GLU A 46 -19.722 -3.479 1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -19.884 -4.696 -0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -19.704 -6.174 0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -21.632 -5.427 1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -21.848 -4.035 0.669 1.00 0.00 H new ATOM 747 N GLY A 47 -18.728 -4.696 3.698 1.00 0.00 N ATOM 748 CA GLY A 47 -18.470 -5.508 4.925 1.00 0.00 C ATOM 749 C GLY A 47 -17.012 -5.978 4.923 1.00 0.00 C ATOM 750 O GLY A 47 -16.102 -5.190 4.747 1.00 0.00 O ATOM 0 H GLY A 47 -18.710 -3.686 3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.672 -4.915 5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.141 -6.367 4.955 1.00 0.00 H new ATOM 754 N ASP A 48 -16.785 -7.255 5.117 1.00 0.00 N ATOM 755 CA ASP A 48 -15.391 -7.778 5.126 1.00 0.00 C ATOM 756 C ASP A 48 -14.858 -7.929 3.696 1.00 0.00 C ATOM 757 O ASP A 48 -13.711 -8.286 3.500 1.00 0.00 O ATOM 758 CB ASP A 48 -15.365 -9.132 5.820 1.00 0.00 C ATOM 759 CG ASP A 48 -16.366 -10.076 5.149 1.00 0.00 C ATOM 760 OD1 ASP A 48 -15.992 -10.708 4.175 1.00 0.00 O ATOM 761 OD2 ASP A 48 -17.488 -10.150 5.621 1.00 0.00 O ATOM 0 H ASP A 48 -17.510 -7.956 5.270 1.00 0.00 H new ATOM 0 HA ASP A 48 -14.757 -7.071 5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.362 -9.556 5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -15.612 -9.015 6.875 1.00 0.00 H new ATOM 766 N THR A 49 -15.660 -7.646 2.697 1.00 0.00 N ATOM 767 CA THR A 49 -15.170 -7.756 1.296 1.00 0.00 C ATOM 768 C THR A 49 -14.624 -6.390 0.879 1.00 0.00 C ATOM 769 O THR A 49 -15.236 -5.376 1.147 1.00 0.00 O ATOM 770 CB THR A 49 -16.334 -8.143 0.383 1.00 0.00 C ATOM 771 OG1 THR A 49 -16.934 -9.338 0.863 1.00 0.00 O ATOM 772 CG2 THR A 49 -15.818 -8.363 -1.037 1.00 0.00 C ATOM 0 H THR A 49 -16.629 -7.345 2.796 1.00 0.00 H new ATOM 0 HA THR A 49 -14.391 -8.515 1.220 1.00 0.00 H new ATOM 0 HB THR A 49 -17.074 -7.343 0.378 1.00 0.00 H new ATOM 0 HG1 THR A 49 -17.681 -9.586 0.280 1.00 0.00 H new ATOM 0 HG21 THR A 49 -16.648 -8.639 -1.687 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.359 -7.445 -1.404 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.077 -9.163 -1.035 1.00 0.00 H new ATOM 780 N PHE A 50 -13.477 -6.341 0.251 1.00 0.00 N ATOM 781 CA PHE A 50 -12.921 -5.016 -0.152 1.00 0.00 C ATOM 782 C PHE A 50 -12.338 -5.056 -1.565 1.00 0.00 C ATOM 783 O PHE A 50 -11.944 -6.085 -2.078 1.00 0.00 O ATOM 784 CB PHE A 50 -11.809 -4.599 0.816 1.00 0.00 C ATOM 785 CG PHE A 50 -12.362 -4.551 2.211 1.00 0.00 C ATOM 786 CD1 PHE A 50 -12.441 -5.721 2.958 1.00 0.00 C ATOM 787 CD2 PHE A 50 -12.817 -3.345 2.745 1.00 0.00 C ATOM 788 CE1 PHE A 50 -12.979 -5.694 4.242 1.00 0.00 C ATOM 789 CE2 PHE A 50 -13.353 -3.312 4.036 1.00 0.00 C ATOM 790 CZ PHE A 50 -13.436 -4.492 4.784 1.00 0.00 C ATOM 0 H PHE A 50 -12.908 -7.150 0.003 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.742 -4.299 -0.127 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.981 -5.306 0.764 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.413 -3.623 0.535 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.085 -6.652 2.542 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.755 -2.438 2.162 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.043 -6.605 4.819 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.702 -2.379 4.454 1.00 0.00 H new ATOM 0 HZ PHE A 50 -13.853 -4.472 5.780 1.00 0.00 H new ATOM 800 N TYR A 51 -12.250 -3.904 -2.161 1.00 0.00 N ATOM 801 CA TYR A 51 -11.662 -3.756 -3.516 1.00 0.00 C ATOM 802 C TYR A 51 -10.733 -2.546 -3.400 1.00 0.00 C ATOM 803 O TYR A 51 -11.009 -1.631 -2.644 1.00 0.00 O ATOM 804 CB TYR A 51 -12.803 -3.559 -4.548 1.00 0.00 C ATOM 805 CG TYR A 51 -12.406 -2.687 -5.728 1.00 0.00 C ATOM 806 CD1 TYR A 51 -12.301 -1.301 -5.570 1.00 0.00 C ATOM 807 CD2 TYR A 51 -12.195 -3.263 -6.984 1.00 0.00 C ATOM 808 CE1 TYR A 51 -11.991 -0.492 -6.658 1.00 0.00 C ATOM 809 CE2 TYR A 51 -11.871 -2.449 -8.079 1.00 0.00 C ATOM 810 CZ TYR A 51 -11.774 -1.062 -7.915 1.00 0.00 C ATOM 811 OH TYR A 51 -11.477 -0.258 -8.997 1.00 0.00 O ATOM 0 H TYR A 51 -12.573 -3.029 -1.749 1.00 0.00 H new ATOM 0 HA TYR A 51 -11.104 -4.627 -3.860 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -13.121 -4.534 -4.917 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -13.662 -3.112 -4.048 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -12.461 -0.857 -4.599 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -12.281 -4.332 -7.111 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.918 0.578 -6.531 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.696 -2.892 -9.048 1.00 0.00 H new ATOM 0 HH TYR A 51 -12.063 -0.490 -9.747 1.00 0.00 H new ATOM 821 N ILE A 52 -9.631 -2.543 -4.091 1.00 0.00 N ATOM 822 CA ILE A 52 -8.687 -1.396 -3.953 1.00 0.00 C ATOM 823 C ILE A 52 -8.006 -1.121 -5.290 1.00 0.00 C ATOM 824 O ILE A 52 -7.099 -1.829 -5.681 1.00 0.00 O ATOM 825 CB ILE A 52 -7.619 -1.736 -2.894 1.00 0.00 C ATOM 826 CG1 ILE A 52 -8.288 -2.409 -1.677 1.00 0.00 C ATOM 827 CG2 ILE A 52 -6.899 -0.453 -2.452 1.00 0.00 C ATOM 828 CD1 ILE A 52 -7.246 -2.714 -0.595 1.00 0.00 C ATOM 0 H ILE A 52 -9.342 -3.275 -4.740 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.242 -0.510 -3.644 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.891 -2.422 -3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.062 -1.756 -1.272 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.779 -3.331 -1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.145 -0.698 -1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.418 0.009 -3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.622 0.241 -2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.734 -3.188 0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.488 -3.385 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.774 -1.786 -0.272 1.00 0.00 H new ATOM 840 N LYS A 53 -8.427 -0.100 -5.994 1.00 0.00 N ATOM 841 CA LYS A 53 -7.786 0.200 -7.309 1.00 0.00 C ATOM 842 C LYS A 53 -7.000 1.513 -7.238 1.00 0.00 C ATOM 843 O LYS A 53 -7.560 2.590 -7.316 1.00 0.00 O ATOM 844 CB LYS A 53 -8.848 0.285 -8.408 1.00 0.00 C ATOM 845 CG LYS A 53 -8.171 0.527 -9.764 1.00 0.00 C ATOM 846 CD LYS A 53 -9.222 0.512 -10.877 1.00 0.00 C ATOM 847 CE LYS A 53 -10.087 1.769 -10.784 1.00 0.00 C ATOM 848 NZ LYS A 53 -10.810 1.969 -12.071 1.00 0.00 N ATOM 0 H LYS A 53 -9.179 0.532 -5.718 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.094 -0.608 -7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.427 -0.638 -8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.547 1.093 -8.190 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.650 1.485 -9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.421 -0.242 -9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.734 0.465 -11.851 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.846 -0.378 -10.790 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.800 1.673 -9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.465 2.637 -10.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.399 2.824 -12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.121 2.078 -12.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.415 1.145 -12.261 1.00 0.00 H new ATOM 862 N THR A 54 -5.701 1.416 -7.120 1.00 0.00 N ATOM 863 CA THR A 54 -4.847 2.638 -7.075 1.00 0.00 C ATOM 864 C THR A 54 -4.397 2.963 -8.491 1.00 0.00 C ATOM 865 O THR A 54 -4.404 2.111 -9.358 1.00 0.00 O ATOM 866 CB THR A 54 -3.619 2.378 -6.203 1.00 0.00 C ATOM 867 OG1 THR A 54 -3.952 1.455 -5.175 1.00 0.00 O ATOM 868 CG2 THR A 54 -3.143 3.692 -5.582 1.00 0.00 C ATOM 0 H THR A 54 -5.192 0.535 -7.052 1.00 0.00 H new ATOM 0 HA THR A 54 -5.412 3.470 -6.656 1.00 0.00 H new ATOM 0 HB THR A 54 -2.821 1.961 -6.817 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.164 1.288 -4.618 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.267 3.505 -4.961 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.883 4.395 -6.373 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.939 4.114 -4.969 1.00 0.00 H new ATOM 876 N SER A 55 -4.003 4.184 -8.735 1.00 0.00 N ATOM 877 CA SER A 55 -3.549 4.556 -10.100 1.00 0.00 C ATOM 878 C SER A 55 -2.886 5.934 -10.076 1.00 0.00 C ATOM 879 O SER A 55 -2.591 6.474 -9.027 1.00 0.00 O ATOM 880 CB SER A 55 -4.746 4.576 -11.051 1.00 0.00 C ATOM 881 OG SER A 55 -5.520 5.744 -10.811 1.00 0.00 O ATOM 0 H SER A 55 -3.977 4.937 -8.047 1.00 0.00 H new ATOM 0 HA SER A 55 -2.823 3.820 -10.446 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.403 4.560 -12.085 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.357 3.685 -10.904 1.00 0.00 H new ATOM 0 HG SER A 55 -6.287 5.759 -11.421 1.00 0.00 H new ATOM 887 N THR A 56 -2.650 6.501 -11.232 1.00 0.00 N ATOM 888 CA THR A 56 -2.004 7.843 -11.300 1.00 0.00 C ATOM 889 C THR A 56 -2.506 8.590 -12.537 1.00 0.00 C ATOM 890 O THR A 56 -2.848 9.756 -12.471 1.00 0.00 O ATOM 891 CB THR A 56 -0.489 7.671 -11.387 1.00 0.00 C ATOM 892 OG1 THR A 56 -0.043 6.858 -10.311 1.00 0.00 O ATOM 893 CG2 THR A 56 0.192 9.039 -11.314 1.00 0.00 C ATOM 0 H THR A 56 -2.879 6.088 -12.136 1.00 0.00 H new ATOM 0 HA THR A 56 -2.255 8.414 -10.406 1.00 0.00 H new ATOM 0 HB THR A 56 -0.233 7.194 -12.333 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.929 6.746 -10.367 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.273 8.911 -11.376 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.149 9.660 -12.143 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.062 9.522 -10.371 1.00 0.00 H new ATOM 901 N THR A 57 -2.550 7.926 -13.665 1.00 0.00 N ATOM 902 CA THR A 57 -3.027 8.589 -14.913 1.00 0.00 C ATOM 903 C THR A 57 -3.471 7.530 -15.923 1.00 0.00 C ATOM 904 O THR A 57 -4.502 7.656 -16.556 1.00 0.00 O ATOM 905 CB THR A 57 -1.897 9.425 -15.510 1.00 0.00 C ATOM 906 OG1 THR A 57 -1.394 10.312 -14.522 1.00 0.00 O ATOM 907 CG2 THR A 57 -2.424 10.228 -16.700 1.00 0.00 C ATOM 0 H THR A 57 -2.275 6.950 -13.774 1.00 0.00 H new ATOM 0 HA THR A 57 -3.872 9.236 -14.677 1.00 0.00 H new ATOM 0 HB THR A 57 -1.098 8.766 -15.848 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.084 10.472 -13.845 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.615 10.824 -17.124 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.808 9.545 -17.458 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.225 10.888 -16.367 1.00 0.00 H new ATOM 915 N VAL A 58 -2.697 6.490 -16.073 1.00 0.00 N ATOM 916 CA VAL A 58 -3.059 5.409 -17.039 1.00 0.00 C ATOM 917 C VAL A 58 -3.753 4.268 -16.290 1.00 0.00 C ATOM 918 O VAL A 58 -4.063 4.385 -15.119 1.00 0.00 O ATOM 919 CB VAL A 58 -1.790 4.883 -17.715 1.00 0.00 C ATOM 920 CG1 VAL A 58 -1.203 5.970 -18.618 1.00 0.00 C ATOM 921 CG2 VAL A 58 -0.766 4.507 -16.645 1.00 0.00 C ATOM 0 H VAL A 58 -1.825 6.340 -15.566 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.733 5.808 -17.797 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.034 4.006 -18.314 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.300 5.595 -19.099 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.933 6.243 -19.380 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.958 6.847 -18.019 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.139 4.132 -17.123 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.523 5.386 -16.048 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.182 3.734 -15.999 1.00 0.00 H new ATOM 931 N ARG A 59 -4.001 3.167 -16.957 1.00 0.00 N ATOM 932 CA ARG A 59 -4.677 2.013 -16.291 1.00 0.00 C ATOM 933 C ARG A 59 -3.823 1.524 -15.118 1.00 0.00 C ATOM 934 O ARG A 59 -2.653 1.843 -15.017 1.00 0.00 O ATOM 935 CB ARG A 59 -4.857 0.878 -17.300 1.00 0.00 C ATOM 936 CG ARG A 59 -5.874 1.296 -18.363 1.00 0.00 C ATOM 937 CD ARG A 59 -7.287 1.182 -17.789 1.00 0.00 C ATOM 938 NE ARG A 59 -7.806 -0.195 -18.023 1.00 0.00 N ATOM 939 CZ ARG A 59 -8.750 -0.674 -17.260 1.00 0.00 C ATOM 940 NH1 ARG A 59 -9.998 -0.380 -17.504 1.00 0.00 N ATOM 941 NH2 ARG A 59 -8.446 -1.446 -16.253 1.00 0.00 N ATOM 0 H ARG A 59 -3.763 3.019 -17.938 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.652 2.329 -15.920 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.902 0.639 -17.769 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.197 -0.024 -16.791 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.681 2.320 -18.683 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.776 0.663 -19.245 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.277 1.402 -16.722 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.943 1.915 -18.259 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.424 -0.763 -18.779 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.235 0.224 -18.291 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.736 -0.754 -16.908 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.471 -1.675 -16.062 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.184 -1.820 -15.657 1.00 0.00 H new ATOM 955 N THR A 60 -4.402 0.755 -14.229 1.00 0.00 N ATOM 956 CA THR A 60 -3.630 0.247 -13.057 1.00 0.00 C ATOM 957 C THR A 60 -4.269 -1.044 -12.540 1.00 0.00 C ATOM 958 O THR A 60 -5.350 -1.419 -12.951 1.00 0.00 O ATOM 959 CB THR A 60 -3.643 1.302 -11.949 1.00 0.00 C ATOM 960 OG1 THR A 60 -3.520 2.591 -12.531 1.00 0.00 O ATOM 961 CG2 THR A 60 -2.476 1.061 -10.989 1.00 0.00 C ATOM 0 H THR A 60 -5.377 0.458 -14.266 1.00 0.00 H new ATOM 0 HA THR A 60 -2.602 0.044 -13.358 1.00 0.00 H new ATOM 0 HB THR A 60 -4.580 1.235 -11.396 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.593 2.898 -12.453 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.490 1.815 -10.202 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.570 0.070 -10.544 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.535 1.125 -11.536 1.00 0.00 H new ATOM 969 N THR A 61 -3.603 -1.724 -11.639 1.00 0.00 N ATOM 970 CA THR A 61 -4.160 -2.992 -11.086 1.00 0.00 C ATOM 971 C THR A 61 -4.929 -2.696 -9.797 1.00 0.00 C ATOM 972 O THR A 61 -4.799 -1.635 -9.216 1.00 0.00 O ATOM 973 CB THR A 61 -3.019 -3.961 -10.785 1.00 0.00 C ATOM 974 OG1 THR A 61 -2.120 -3.988 -11.886 1.00 0.00 O ATOM 975 CG2 THR A 61 -3.582 -5.362 -10.547 1.00 0.00 C ATOM 0 H THR A 61 -2.695 -1.452 -11.263 1.00 0.00 H new ATOM 0 HA THR A 61 -4.835 -3.439 -11.816 1.00 0.00 H new ATOM 0 HB THR A 61 -2.490 -3.631 -9.891 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.386 -4.608 -11.694 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.765 -6.051 -10.333 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.269 -5.339 -9.701 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.114 -5.696 -11.438 1.00 0.00 H new ATOM 983 N GLU A 62 -5.727 -3.631 -9.347 1.00 0.00 N ATOM 984 CA GLU A 62 -6.510 -3.420 -8.095 1.00 0.00 C ATOM 985 C GLU A 62 -6.725 -4.769 -7.400 1.00 0.00 C ATOM 986 O GLU A 62 -6.880 -5.784 -8.056 1.00 0.00 O ATOM 987 CB GLU A 62 -7.870 -2.792 -8.438 1.00 0.00 C ATOM 988 CG GLU A 62 -8.682 -3.709 -9.361 1.00 0.00 C ATOM 989 CD GLU A 62 -8.165 -3.589 -10.796 1.00 0.00 C ATOM 990 OE1 GLU A 62 -7.837 -2.485 -11.197 1.00 0.00 O ATOM 991 OE2 GLU A 62 -8.106 -4.605 -11.470 1.00 0.00 O ATOM 0 H GLU A 62 -5.869 -4.535 -9.796 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.964 -2.751 -7.430 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.430 -2.605 -7.522 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.717 -1.827 -8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.605 -4.742 -9.022 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.737 -3.438 -9.321 1.00 0.00 H new ATOM 998 N ILE A 63 -6.756 -4.794 -6.088 1.00 0.00 N ATOM 999 CA ILE A 63 -6.987 -6.090 -5.387 1.00 0.00 C ATOM 1000 C ILE A 63 -8.460 -6.214 -5.026 1.00 0.00 C ATOM 1001 O ILE A 63 -8.927 -5.653 -4.053 1.00 0.00 O ATOM 1002 CB ILE A 63 -6.129 -6.230 -4.118 1.00 0.00 C ATOM 1003 CG1 ILE A 63 -6.055 -4.905 -3.345 1.00 0.00 C ATOM 1004 CG2 ILE A 63 -4.728 -6.676 -4.518 1.00 0.00 C ATOM 1005 CD1 ILE A 63 -5.256 -5.101 -2.051 1.00 0.00 C ATOM 0 H ILE A 63 -6.633 -3.983 -5.482 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.694 -6.890 -6.067 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.588 -6.971 -3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.584 -4.140 -3.962 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.060 -4.553 -3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.110 -6.779 -3.626 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.785 -7.635 -5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.286 -5.934 -5.182 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.207 -4.158 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.746 -5.852 -1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.246 -5.433 -2.293 1.00 0.00 H new ATOM 1017 N ASN A 64 -9.185 -6.969 -5.804 1.00 0.00 N ATOM 1018 CA ASN A 64 -10.633 -7.180 -5.504 1.00 0.00 C ATOM 1019 C ASN A 64 -10.730 -8.438 -4.651 1.00 0.00 C ATOM 1020 O ASN A 64 -11.077 -9.510 -5.111 1.00 0.00 O ATOM 1021 CB ASN A 64 -11.485 -7.329 -6.784 1.00 0.00 C ATOM 1022 CG ASN A 64 -10.718 -8.020 -7.929 1.00 0.00 C ATOM 1023 OD1 ASN A 64 -10.899 -7.671 -9.079 1.00 0.00 O ATOM 1024 ND2 ASN A 64 -9.870 -8.984 -7.678 1.00 0.00 N ATOM 0 H ASN A 64 -8.840 -7.450 -6.635 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.028 -6.309 -4.981 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -12.382 -7.904 -6.554 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.813 -6.344 -7.114 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.369 -9.434 -8.444 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.710 -9.285 -6.717 1.00 0.00 H new ATOM 1031 N PHE A 65 -10.377 -8.303 -3.411 1.00 0.00 N ATOM 1032 CA PHE A 65 -10.365 -9.466 -2.486 1.00 0.00 C ATOM 1033 C PHE A 65 -11.409 -9.277 -1.378 1.00 0.00 C ATOM 1034 O PHE A 65 -12.312 -8.478 -1.484 1.00 0.00 O ATOM 1035 CB PHE A 65 -8.946 -9.540 -1.864 1.00 0.00 C ATOM 1036 CG PHE A 65 -8.734 -8.359 -0.918 1.00 0.00 C ATOM 1037 CD1 PHE A 65 -8.389 -7.108 -1.436 1.00 0.00 C ATOM 1038 CD2 PHE A 65 -8.935 -8.506 0.465 1.00 0.00 C ATOM 1039 CE1 PHE A 65 -8.241 -6.010 -0.592 1.00 0.00 C ATOM 1040 CE2 PHE A 65 -8.793 -7.402 1.311 1.00 0.00 C ATOM 1041 CZ PHE A 65 -8.447 -6.153 0.784 1.00 0.00 C ATOM 0 H PHE A 65 -10.090 -7.420 -2.989 1.00 0.00 H new ATOM 0 HA PHE A 65 -10.607 -10.384 -3.022 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.825 -10.478 -1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.192 -9.527 -2.652 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.236 -6.992 -2.499 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.199 -9.470 0.874 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.967 -5.048 -1.000 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.951 -7.514 2.374 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.339 -5.301 1.439 1.00 0.00 H new ATOM 1051 N LYS A 66 -11.231 -9.994 -0.307 1.00 0.00 N ATOM 1052 CA LYS A 66 -12.112 -9.884 0.874 1.00 0.00 C ATOM 1053 C LYS A 66 -11.227 -10.235 2.061 1.00 0.00 C ATOM 1054 O LYS A 66 -10.622 -11.289 2.088 1.00 0.00 O ATOM 1055 CB LYS A 66 -13.282 -10.860 0.770 1.00 0.00 C ATOM 1056 CG LYS A 66 -12.772 -12.263 0.415 1.00 0.00 C ATOM 1057 CD LYS A 66 -13.456 -12.761 -0.862 1.00 0.00 C ATOM 1058 CE LYS A 66 -13.653 -14.275 -0.778 1.00 0.00 C ATOM 1059 NZ LYS A 66 -14.813 -14.673 -1.625 1.00 0.00 N ATOM 0 H LYS A 66 -10.480 -10.677 -0.204 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.546 -8.888 0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.825 -10.891 1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.984 -10.517 0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.691 -12.241 0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -12.972 -12.951 1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -14.418 -12.265 -0.989 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.851 -12.510 -1.733 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.752 -14.789 -1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.825 -14.573 0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.947 -15.703 -1.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.671 -14.193 -1.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.631 -14.402 -2.612 1.00 0.00 H new ATOM 1073 N VAL A 67 -11.093 -9.339 3.006 1.00 0.00 N ATOM 1074 CA VAL A 67 -10.187 -9.580 4.177 1.00 0.00 C ATOM 1075 C VAL A 67 -10.369 -11.002 4.732 1.00 0.00 C ATOM 1076 O VAL A 67 -11.451 -11.557 4.721 1.00 0.00 O ATOM 1077 CB VAL A 67 -10.465 -8.540 5.260 1.00 0.00 C ATOM 1078 CG1 VAL A 67 -9.527 -8.778 6.445 1.00 0.00 C ATOM 1079 CG2 VAL A 67 -10.199 -7.141 4.702 1.00 0.00 C ATOM 0 H VAL A 67 -11.576 -8.441 3.019 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.153 -9.485 3.846 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.503 -8.624 5.581 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.724 -8.037 7.219 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.696 -9.777 6.848 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.492 -8.690 6.113 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.397 -6.398 5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.159 -7.067 4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.852 -6.960 3.848 1.00 0.00 H new ATOM 1089 N GLY A 68 -9.292 -11.594 5.168 1.00 0.00 N ATOM 1090 CA GLY A 68 -9.347 -12.991 5.678 1.00 0.00 C ATOM 1091 C GLY A 68 -8.817 -13.943 4.591 1.00 0.00 C ATOM 1092 O GLY A 68 -8.918 -15.149 4.715 1.00 0.00 O ATOM 0 H GLY A 68 -8.367 -11.164 5.193 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.749 -13.085 6.584 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -10.371 -13.255 5.943 1.00 0.00 H new ATOM 1096 N GLU A 69 -8.250 -13.409 3.525 1.00 0.00 N ATOM 1097 CA GLU A 69 -7.716 -14.273 2.438 1.00 0.00 C ATOM 1098 C GLU A 69 -6.405 -13.678 1.916 1.00 0.00 C ATOM 1099 O GLU A 69 -5.968 -12.629 2.360 1.00 0.00 O ATOM 1100 CB GLU A 69 -8.733 -14.348 1.296 1.00 0.00 C ATOM 1101 CG GLU A 69 -9.901 -15.246 1.708 1.00 0.00 C ATOM 1102 CD GLU A 69 -9.599 -16.692 1.311 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -8.528 -17.168 1.652 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -10.442 -17.299 0.672 1.00 0.00 O ATOM 0 H GLU A 69 -8.139 -12.407 3.371 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.534 -15.275 2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.097 -13.350 1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.258 -14.741 0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.063 -15.179 2.784 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.819 -14.910 1.226 1.00 0.00 H new ATOM 1111 N GLU A 70 -5.769 -14.348 0.989 1.00 0.00 N ATOM 1112 CA GLU A 70 -4.472 -13.837 0.444 1.00 0.00 C ATOM 1113 C GLU A 70 -4.542 -13.595 -1.060 1.00 0.00 C ATOM 1114 O GLU A 70 -5.483 -13.963 -1.735 1.00 0.00 O ATOM 1115 CB GLU A 70 -3.341 -14.854 0.682 1.00 0.00 C ATOM 1116 CG GLU A 70 -3.832 -16.287 0.502 1.00 0.00 C ATOM 1117 CD GLU A 70 -4.189 -16.543 -0.964 1.00 0.00 C ATOM 1118 OE1 GLU A 70 -3.291 -16.497 -1.788 1.00 0.00 O ATOM 1119 OE2 GLU A 70 -5.354 -16.781 -1.236 1.00 0.00 O ATOM 0 H GLU A 70 -6.091 -15.227 0.585 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.274 -12.900 0.964 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.523 -14.659 -0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.943 -14.728 1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.060 -16.987 0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.704 -16.462 1.132 1.00 0.00 H new ATOM 1126 N PHE A 71 -3.487 -13.030 -1.580 1.00 0.00 N ATOM 1127 CA PHE A 71 -3.367 -12.795 -3.041 1.00 0.00 C ATOM 1128 C PHE A 71 -2.055 -13.440 -3.466 1.00 0.00 C ATOM 1129 O PHE A 71 -1.389 -14.083 -2.676 1.00 0.00 O ATOM 1130 CB PHE A 71 -3.289 -11.295 -3.408 1.00 0.00 C ATOM 1131 CG PHE A 71 -4.069 -10.401 -2.466 1.00 0.00 C ATOM 1132 CD1 PHE A 71 -5.301 -10.799 -1.938 1.00 0.00 C ATOM 1133 CD2 PHE A 71 -3.553 -9.136 -2.152 1.00 0.00 C ATOM 1134 CE1 PHE A 71 -6.009 -9.932 -1.091 1.00 0.00 C ATOM 1135 CE2 PHE A 71 -4.265 -8.272 -1.318 1.00 0.00 C ATOM 1136 CZ PHE A 71 -5.487 -8.668 -0.787 1.00 0.00 C ATOM 0 H PHE A 71 -2.684 -12.715 -1.036 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.247 -13.206 -3.536 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.244 -10.984 -3.410 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.665 -11.157 -4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -5.706 -11.770 -2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.600 -8.828 -2.557 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.956 -10.239 -0.674 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.866 -7.296 -1.085 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.035 -8.000 -0.139 1.00 0.00 H new ATOM 1146 N GLU A 72 -1.664 -13.247 -4.688 1.00 0.00 N ATOM 1147 CA GLU A 72 -0.372 -13.817 -5.155 1.00 0.00 C ATOM 1148 C GLU A 72 0.447 -12.718 -5.809 1.00 0.00 C ATOM 1149 O GLU A 72 -0.084 -11.720 -6.262 1.00 0.00 O ATOM 1150 CB GLU A 72 -0.606 -14.928 -6.166 1.00 0.00 C ATOM 1151 CG GLU A 72 -1.568 -15.953 -5.576 1.00 0.00 C ATOM 1152 CD GLU A 72 -2.182 -16.788 -6.701 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -1.428 -17.416 -7.425 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -3.396 -16.786 -6.818 1.00 0.00 O ATOM 0 H GLU A 72 -2.183 -12.718 -5.388 1.00 0.00 H new ATOM 0 HA GLU A 72 0.158 -14.230 -4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.016 -14.516 -7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.339 -15.406 -6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.041 -16.600 -4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.354 -15.448 -5.014 1.00 0.00 H new ATOM 1161 N GLU A 73 1.735 -12.894 -5.860 1.00 0.00 N ATOM 1162 CA GLU A 73 2.603 -11.855 -6.487 1.00 0.00 C ATOM 1163 C GLU A 73 3.997 -12.415 -6.754 1.00 0.00 C ATOM 1164 O GLU A 73 4.262 -13.584 -6.560 1.00 0.00 O ATOM 1165 CB GLU A 73 2.711 -10.653 -5.545 1.00 0.00 C ATOM 1166 CG GLU A 73 1.645 -9.618 -5.909 1.00 0.00 C ATOM 1167 CD GLU A 73 2.184 -8.212 -5.641 1.00 0.00 C ATOM 1168 OE1 GLU A 73 3.140 -7.831 -6.296 1.00 0.00 O ATOM 1169 OE2 GLU A 73 1.633 -7.540 -4.785 1.00 0.00 O ATOM 0 H GLU A 73 2.227 -13.710 -5.496 1.00 0.00 H new ATOM 0 HA GLU A 73 2.160 -11.549 -7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.582 -10.975 -4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.704 -10.209 -5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.369 -9.719 -6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.742 -9.790 -5.324 1.00 0.00 H new ATOM 1176 N GLN A 74 4.885 -11.570 -7.201 1.00 0.00 N ATOM 1177 CA GLN A 74 6.283 -12.006 -7.490 1.00 0.00 C ATOM 1178 C GLN A 74 7.246 -10.894 -7.060 1.00 0.00 C ATOM 1179 O GLN A 74 7.106 -9.755 -7.465 1.00 0.00 O ATOM 1180 CB GLN A 74 6.439 -12.269 -8.990 1.00 0.00 C ATOM 1181 CG GLN A 74 5.811 -13.619 -9.340 1.00 0.00 C ATOM 1182 CD GLN A 74 6.011 -13.905 -10.830 1.00 0.00 C ATOM 1183 OE1 GLN A 74 6.771 -14.780 -11.196 1.00 0.00 O ATOM 1184 NE2 GLN A 74 5.356 -13.200 -11.710 1.00 0.00 N ATOM 0 H GLN A 74 4.700 -10.583 -7.381 1.00 0.00 H new ATOM 0 HA GLN A 74 6.506 -12.922 -6.943 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.959 -11.474 -9.561 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.494 -12.265 -9.263 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.266 -14.409 -8.743 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.748 -13.610 -9.100 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.718 -12.466 -11.403 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.481 -13.383 -12.706 1.00 0.00 H new ATOM 1193 N THR A 75 8.215 -11.213 -6.236 1.00 0.00 N ATOM 1194 CA THR A 75 9.181 -10.167 -5.772 1.00 0.00 C ATOM 1195 C THR A 75 10.368 -10.102 -6.735 1.00 0.00 C ATOM 1196 O THR A 75 10.844 -11.110 -7.222 1.00 0.00 O ATOM 1197 CB THR A 75 9.683 -10.487 -4.350 1.00 0.00 C ATOM 1198 OG1 THR A 75 9.337 -11.819 -3.998 1.00 0.00 O ATOM 1199 CG2 THR A 75 9.045 -9.521 -3.348 1.00 0.00 C ATOM 0 H THR A 75 8.379 -12.149 -5.866 1.00 0.00 H new ATOM 0 HA THR A 75 8.672 -9.203 -5.753 1.00 0.00 H new ATOM 0 HB THR A 75 10.767 -10.378 -4.328 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.046 -12.429 -4.290 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.402 -9.750 -2.344 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.317 -8.497 -3.605 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.961 -9.627 -3.380 1.00 0.00 H new ATOM 1207 N VAL A 76 10.843 -8.915 -7.009 1.00 0.00 N ATOM 1208 CA VAL A 76 11.996 -8.751 -7.937 1.00 0.00 C ATOM 1209 C VAL A 76 13.299 -9.204 -7.261 1.00 0.00 C ATOM 1210 O VAL A 76 14.303 -9.403 -7.919 1.00 0.00 O ATOM 1211 CB VAL A 76 12.112 -7.276 -8.320 1.00 0.00 C ATOM 1212 CG1 VAL A 76 10.879 -6.859 -9.125 1.00 0.00 C ATOM 1213 CG2 VAL A 76 12.204 -6.425 -7.051 1.00 0.00 C ATOM 0 H VAL A 76 10.476 -8.045 -6.624 1.00 0.00 H new ATOM 0 HA VAL A 76 11.832 -9.363 -8.824 1.00 0.00 H new ATOM 0 HB VAL A 76 13.007 -7.127 -8.923 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.962 -5.807 -9.398 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.813 -7.465 -10.029 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.983 -7.008 -8.522 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.287 -5.373 -7.324 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.309 -6.574 -6.447 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.082 -6.721 -6.477 1.00 0.00 H new ATOM 1223 N ASP A 77 13.299 -9.363 -5.956 1.00 0.00 N ATOM 1224 CA ASP A 77 14.542 -9.795 -5.241 1.00 0.00 C ATOM 1225 C ASP A 77 15.071 -11.105 -5.837 1.00 0.00 C ATOM 1226 O ASP A 77 16.254 -11.384 -5.786 1.00 0.00 O ATOM 1227 CB ASP A 77 14.228 -10.004 -3.758 1.00 0.00 C ATOM 1228 CG ASP A 77 13.905 -8.657 -3.110 1.00 0.00 C ATOM 1229 OD1 ASP A 77 14.537 -7.679 -3.476 1.00 0.00 O ATOM 1230 OD2 ASP A 77 13.033 -8.625 -2.258 1.00 0.00 O ATOM 0 H ASP A 77 12.489 -9.211 -5.356 1.00 0.00 H new ATOM 0 HA ASP A 77 15.302 -9.022 -5.354 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.384 -10.685 -3.647 1.00 0.00 H new ATOM 0 HB3 ASP A 77 15.079 -10.466 -3.257 1.00 0.00 H new ATOM 1235 N GLY A 78 14.203 -11.907 -6.401 1.00 0.00 N ATOM 1236 CA GLY A 78 14.652 -13.198 -7.001 1.00 0.00 C ATOM 1237 C GLY A 78 13.614 -14.285 -6.722 1.00 0.00 C ATOM 1238 O GLY A 78 13.454 -15.212 -7.494 1.00 0.00 O ATOM 0 H GLY A 78 13.202 -11.722 -6.471 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.791 -13.082 -8.076 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.617 -13.488 -6.584 1.00 0.00 H new ATOM 1242 N ARG A 79 12.908 -14.179 -5.625 1.00 0.00 N ATOM 1243 CA ARG A 79 11.878 -15.204 -5.291 1.00 0.00 C ATOM 1244 C ARG A 79 10.479 -14.598 -5.487 1.00 0.00 C ATOM 1245 O ARG A 79 10.356 -13.396 -5.605 1.00 0.00 O ATOM 1246 CB ARG A 79 12.048 -15.633 -3.831 1.00 0.00 C ATOM 1247 CG ARG A 79 12.976 -16.849 -3.759 1.00 0.00 C ATOM 1248 CD ARG A 79 12.896 -17.486 -2.367 1.00 0.00 C ATOM 1249 NE ARG A 79 14.267 -17.601 -1.795 1.00 0.00 N ATOM 1250 CZ ARG A 79 14.984 -18.665 -2.029 1.00 0.00 C ATOM 1251 NH1 ARG A 79 14.836 -19.727 -1.285 1.00 0.00 N ATOM 1252 NH2 ARG A 79 15.849 -18.667 -3.006 1.00 0.00 N ATOM 0 H ARG A 79 13.002 -13.424 -4.946 1.00 0.00 H new ATOM 0 HA ARG A 79 11.995 -16.071 -5.942 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.462 -14.812 -3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.078 -15.877 -3.397 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.694 -17.578 -4.519 1.00 0.00 H new ATOM 0 HG3 ARG A 79 14.002 -16.548 -3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.267 -16.881 -1.714 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.433 -18.471 -2.432 1.00 0.00 H new ATOM 0 HE ARG A 79 14.645 -16.848 -1.220 1.00 0.00 H new ATOM 0 HH11 ARG A 79 14.160 -19.724 -0.521 1.00 0.00 H new ATOM 0 HH12 ARG A 79 15.396 -20.560 -1.467 1.00 0.00 H new ATOM 0 HH21 ARG A 79 15.964 -17.836 -3.587 1.00 0.00 H new ATOM 0 HH22 ARG A 79 16.410 -19.499 -3.189 1.00 0.00 H new ATOM 1266 N PRO A 80 9.454 -15.433 -5.514 1.00 0.00 N ATOM 1267 CA PRO A 80 8.073 -14.953 -5.687 1.00 0.00 C ATOM 1268 C PRO A 80 7.560 -14.372 -4.366 1.00 0.00 C ATOM 1269 O PRO A 80 8.321 -14.174 -3.437 1.00 0.00 O ATOM 1270 CB PRO A 80 7.296 -16.209 -6.083 1.00 0.00 C ATOM 1271 CG PRO A 80 8.121 -17.414 -5.574 1.00 0.00 C ATOM 1272 CD PRO A 80 9.563 -16.908 -5.378 1.00 0.00 C ATOM 0 HA PRO A 80 7.975 -14.161 -6.430 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.300 -16.205 -5.639 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.163 -16.258 -7.164 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.713 -17.795 -4.638 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.092 -18.234 -6.291 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.954 -17.190 -4.401 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.237 -17.328 -6.124 1.00 0.00 H new ATOM 1280 N CYS A 81 6.283 -14.097 -4.272 1.00 0.00 N ATOM 1281 CA CYS A 81 5.735 -13.528 -3.005 1.00 0.00 C ATOM 1282 C CYS A 81 4.223 -13.360 -3.095 1.00 0.00 C ATOM 1283 O CYS A 81 3.684 -12.903 -4.083 1.00 0.00 O ATOM 1284 CB CYS A 81 6.381 -12.162 -2.727 1.00 0.00 C ATOM 1285 SG CYS A 81 6.078 -11.035 -4.113 1.00 0.00 S ATOM 0 H CYS A 81 5.600 -14.242 -5.015 1.00 0.00 H new ATOM 0 HA CYS A 81 5.964 -14.219 -2.193 1.00 0.00 H new ATOM 0 HB2 CYS A 81 5.974 -11.739 -1.809 1.00 0.00 H new ATOM 0 HB3 CYS A 81 7.453 -12.283 -2.574 1.00 0.00 H new ATOM 0 HG CYS A 81 5.921 -9.826 -3.663 1.00 0.00 H new ATOM 1291 N LYS A 82 3.551 -13.709 -2.040 1.00 0.00 N ATOM 1292 CA LYS A 82 2.076 -13.567 -1.989 1.00 0.00 C ATOM 1293 C LYS A 82 1.738 -12.503 -0.950 1.00 0.00 C ATOM 1294 O LYS A 82 2.609 -11.821 -0.442 1.00 0.00 O ATOM 1295 CB LYS A 82 1.450 -14.900 -1.593 1.00 0.00 C ATOM 1296 CG LYS A 82 2.017 -15.377 -0.243 1.00 0.00 C ATOM 1297 CD LYS A 82 1.461 -16.769 0.121 1.00 0.00 C ATOM 1298 CE LYS A 82 -0.044 -16.848 -0.168 1.00 0.00 C ATOM 1299 NZ LYS A 82 -0.697 -17.777 0.797 1.00 0.00 N ATOM 0 H LYS A 82 3.971 -14.094 -1.194 1.00 0.00 H new ATOM 0 HA LYS A 82 1.686 -13.274 -2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.367 -14.795 -1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.649 -15.646 -2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.105 -15.416 -0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.760 -14.662 0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.986 -17.536 -0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.645 -16.974 1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.491 -15.857 -0.091 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.210 -17.194 -1.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.511 -18.235 0.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.015 -18.502 1.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.021 -17.243 1.628 1.00 0.00 H new ATOM 1313 N SER A 83 0.487 -12.353 -0.644 1.00 0.00 N ATOM 1314 CA SER A 83 0.076 -11.324 0.354 1.00 0.00 C ATOM 1315 C SER A 83 -1.098 -11.824 1.173 1.00 0.00 C ATOM 1316 O SER A 83 -1.612 -12.884 0.931 1.00 0.00 O ATOM 1317 CB SER A 83 -0.361 -10.071 -0.395 1.00 0.00 C ATOM 1318 OG SER A 83 -1.295 -10.446 -1.407 1.00 0.00 O ATOM 0 H SER A 83 -0.277 -12.899 -1.041 1.00 0.00 H new ATOM 0 HA SER A 83 0.915 -11.113 1.017 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.815 -9.358 0.293 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.502 -9.577 -0.841 1.00 0.00 H new ATOM 0 HG SER A 83 -2.163 -10.031 -1.221 1.00 0.00 H new ATOM 1324 N LEU A 84 -1.534 -11.047 2.129 1.00 0.00 N ATOM 1325 CA LEU A 84 -2.711 -11.469 2.951 1.00 0.00 C ATOM 1326 C LEU A 84 -3.208 -10.304 3.800 1.00 0.00 C ATOM 1327 O LEU A 84 -2.502 -9.791 4.642 1.00 0.00 O ATOM 1328 CB LEU A 84 -2.335 -12.648 3.843 1.00 0.00 C ATOM 1329 CG LEU A 84 -3.490 -13.651 3.848 1.00 0.00 C ATOM 1330 CD1 LEU A 84 -2.954 -15.049 4.142 1.00 0.00 C ATOM 1331 CD2 LEU A 84 -4.513 -13.255 4.907 1.00 0.00 C ATOM 0 H LEU A 84 -1.131 -10.144 2.377 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.512 -11.779 2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.425 -13.123 3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.130 -12.304 4.857 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.972 -13.650 2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.779 -15.762 4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.233 -15.331 3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.466 -15.054 5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.334 -13.972 4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.037 -13.248 5.888 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.900 -12.261 4.685 1.00 0.00 H new ATOM 1343 N VAL A 85 -4.428 -9.883 3.566 1.00 0.00 N ATOM 1344 CA VAL A 85 -4.998 -8.733 4.328 1.00 0.00 C ATOM 1345 C VAL A 85 -5.714 -9.216 5.599 1.00 0.00 C ATOM 1346 O VAL A 85 -6.347 -10.252 5.624 1.00 0.00 O ATOM 1347 CB VAL A 85 -5.978 -7.975 3.411 1.00 0.00 C ATOM 1348 CG1 VAL A 85 -6.764 -6.913 4.200 1.00 0.00 C ATOM 1349 CG2 VAL A 85 -5.183 -7.283 2.302 1.00 0.00 C ATOM 0 H VAL A 85 -5.056 -10.292 2.874 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.192 -8.069 4.640 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.686 -8.689 2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.448 -6.393 3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.333 -7.397 4.994 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.069 -6.196 4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.867 -6.743 1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.475 -6.582 2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.640 -8.030 1.723 1.00 0.00 H new ATOM 1359 N LYS A 86 -5.624 -8.431 6.644 1.00 0.00 N ATOM 1360 CA LYS A 86 -6.291 -8.767 7.928 1.00 0.00 C ATOM 1361 C LYS A 86 -6.684 -7.463 8.630 1.00 0.00 C ATOM 1362 O LYS A 86 -6.779 -6.423 8.011 1.00 0.00 O ATOM 1363 CB LYS A 86 -5.328 -9.570 8.806 1.00 0.00 C ATOM 1364 CG LYS A 86 -6.075 -10.713 9.506 1.00 0.00 C ATOM 1365 CD LYS A 86 -6.684 -11.668 8.467 1.00 0.00 C ATOM 1366 CE LYS A 86 -8.209 -11.487 8.413 1.00 0.00 C ATOM 1367 NZ LYS A 86 -8.873 -12.737 8.879 1.00 0.00 N ATOM 0 H LYS A 86 -5.104 -7.554 6.655 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.183 -9.367 7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.520 -9.974 8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.871 -8.916 9.549 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.391 -11.260 10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.862 -10.307 10.142 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.252 -11.473 7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.441 -12.699 8.723 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.509 -10.647 9.040 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.523 -11.253 7.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.838 -12.781 8.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.331 -13.561 8.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.913 -12.742 9.918 1.00 0.00 H new ATOM 1381 N TRP A 87 -6.935 -7.522 9.907 1.00 0.00 N ATOM 1382 CA TRP A 87 -7.347 -6.300 10.663 1.00 0.00 C ATOM 1383 C TRP A 87 -6.434 -6.046 11.856 1.00 0.00 C ATOM 1384 O TRP A 87 -5.481 -6.756 12.111 1.00 0.00 O ATOM 1385 CB TRP A 87 -8.751 -6.505 11.193 1.00 0.00 C ATOM 1386 CG TRP A 87 -9.659 -6.642 10.049 1.00 0.00 C ATOM 1387 CD1 TRP A 87 -10.102 -7.809 9.566 1.00 0.00 C ATOM 1388 CD2 TRP A 87 -10.219 -5.598 9.216 1.00 0.00 C ATOM 1389 NE1 TRP A 87 -10.941 -7.554 8.511 1.00 0.00 N ATOM 1390 CE2 TRP A 87 -11.037 -6.204 8.247 1.00 0.00 C ATOM 1391 CE3 TRP A 87 -10.106 -4.197 9.213 1.00 0.00 C ATOM 1392 CZ2 TRP A 87 -11.723 -5.453 7.304 1.00 0.00 C ATOM 1393 CZ3 TRP A 87 -10.792 -3.434 8.259 1.00 0.00 C ATOM 1394 CH2 TRP A 87 -11.601 -4.064 7.306 1.00 0.00 C ATOM 0 H TRP A 87 -6.873 -8.372 10.468 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.291 -5.449 9.984 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.794 -7.395 11.821 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -9.049 -5.661 11.816 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.843 -8.787 9.943 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -11.434 -8.276 7.985 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -9.487 -3.706 9.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -12.349 -5.942 6.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -10.697 -2.358 8.259 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -12.131 -3.474 6.572 1.00 0.00 H new ATOM 1405 N GLU A 88 -6.763 -5.029 12.596 1.00 0.00 N ATOM 1406 CA GLU A 88 -5.991 -4.661 13.809 1.00 0.00 C ATOM 1407 C GLU A 88 -7.013 -4.320 14.898 1.00 0.00 C ATOM 1408 O GLU A 88 -7.022 -4.889 15.973 1.00 0.00 O ATOM 1409 CB GLU A 88 -5.095 -3.448 13.461 1.00 0.00 C ATOM 1410 CG GLU A 88 -4.819 -2.548 14.678 1.00 0.00 C ATOM 1411 CD GLU A 88 -4.067 -3.342 15.747 1.00 0.00 C ATOM 1412 OE1 GLU A 88 -3.173 -4.088 15.384 1.00 0.00 O ATOM 1413 OE2 GLU A 88 -4.399 -3.191 16.912 1.00 0.00 O ATOM 0 H GLU A 88 -7.559 -4.420 12.404 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.345 -5.466 14.161 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.148 -3.805 13.055 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.575 -2.859 12.679 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.232 -1.681 14.375 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.758 -2.171 15.084 1.00 0.00 H new ATOM 1420 N SER A 89 -7.869 -3.386 14.602 1.00 0.00 N ATOM 1421 CA SER A 89 -8.911 -2.963 15.573 1.00 0.00 C ATOM 1422 C SER A 89 -10.292 -3.166 14.949 1.00 0.00 C ATOM 1423 O SER A 89 -11.171 -3.774 15.525 1.00 0.00 O ATOM 1424 CB SER A 89 -8.720 -1.479 15.884 1.00 0.00 C ATOM 1425 OG SER A 89 -8.598 -0.760 14.658 1.00 0.00 O ATOM 0 H SER A 89 -7.890 -2.889 13.712 1.00 0.00 H new ATOM 0 HA SER A 89 -8.829 -3.552 16.486 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.566 -1.103 16.459 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.830 -1.334 16.496 1.00 0.00 H new ATOM 0 HG SER A 89 -8.477 0.194 14.849 1.00 0.00 H new ATOM 1431 N GLU A 90 -10.469 -2.641 13.768 1.00 0.00 N ATOM 1432 CA GLU A 90 -11.769 -2.743 13.029 1.00 0.00 C ATOM 1433 C GLU A 90 -11.708 -1.760 11.862 1.00 0.00 C ATOM 1434 O GLU A 90 -12.192 -2.023 10.778 1.00 0.00 O ATOM 1435 CB GLU A 90 -12.957 -2.377 13.934 1.00 0.00 C ATOM 1436 CG GLU A 90 -12.690 -1.037 14.630 1.00 0.00 C ATOM 1437 CD GLU A 90 -13.224 -1.088 16.063 1.00 0.00 C ATOM 1438 OE1 GLU A 90 -14.389 -1.412 16.229 1.00 0.00 O ATOM 1439 OE2 GLU A 90 -12.460 -0.801 16.970 1.00 0.00 O ATOM 0 H GLU A 90 -9.745 -2.128 13.265 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.914 -3.768 12.687 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.870 -2.314 13.342 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.113 -3.158 14.678 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.621 -0.826 14.637 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.171 -0.228 14.080 1.00 0.00 H new ATOM 1446 N ASN A 91 -11.071 -0.642 12.082 1.00 0.00 N ATOM 1447 CA ASN A 91 -10.904 0.375 11.008 1.00 0.00 C ATOM 1448 C ASN A 91 -9.431 0.412 10.590 1.00 0.00 C ATOM 1449 O ASN A 91 -9.050 1.195 9.743 1.00 0.00 O ATOM 1450 CB ASN A 91 -11.315 1.749 11.520 1.00 0.00 C ATOM 1451 CG ASN A 91 -12.781 1.737 11.957 1.00 0.00 C ATOM 1452 OD1 ASN A 91 -13.387 0.691 12.086 1.00 0.00 O ATOM 1453 ND2 ASN A 91 -13.382 2.872 12.184 1.00 0.00 N ATOM 0 H ASN A 91 -10.653 -0.388 12.977 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.532 0.111 10.157 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.681 2.036 12.359 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.168 2.495 10.739 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -14.361 2.882 12.470 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.873 3.749 12.076 1.00 0.00 H new ATOM 1460 N LYS A 92 -8.596 -0.432 11.169 1.00 0.00 N ATOM 1461 CA LYS A 92 -7.174 -0.459 10.777 1.00 0.00 C ATOM 1462 C LYS A 92 -6.866 -1.878 10.301 1.00 0.00 C ATOM 1463 O LYS A 92 -7.012 -2.827 11.041 1.00 0.00 O ATOM 1464 CB LYS A 92 -6.297 -0.109 11.979 1.00 0.00 C ATOM 1465 CG LYS A 92 -4.922 0.339 11.487 1.00 0.00 C ATOM 1466 CD LYS A 92 -3.951 -0.843 11.518 1.00 0.00 C ATOM 1467 CE LYS A 92 -2.511 -0.327 11.551 1.00 0.00 C ATOM 1468 NZ LYS A 92 -2.283 0.591 10.400 1.00 0.00 N ATOM 0 H LYS A 92 -8.856 -1.098 11.896 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.973 0.266 9.989 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.762 0.684 12.565 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.197 -0.974 12.635 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.999 0.732 10.473 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.546 1.147 12.115 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.145 -1.463 12.393 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.102 -1.473 10.641 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.323 0.196 12.489 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.813 -1.163 11.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.399 0.331 9.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.076 0.514 9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.215 1.570 10.745 1.00 0.00 H new ATOM 1482 N MET A 93 -6.466 -2.033 9.072 1.00 0.00 N ATOM 1483 CA MET A 93 -6.168 -3.387 8.540 1.00 0.00 C ATOM 1484 C MET A 93 -4.749 -3.444 8.014 1.00 0.00 C ATOM 1485 O MET A 93 -4.116 -2.439 7.752 1.00 0.00 O ATOM 1486 CB MET A 93 -7.129 -3.783 7.406 1.00 0.00 C ATOM 1487 CG MET A 93 -7.585 -2.563 6.594 1.00 0.00 C ATOM 1488 SD MET A 93 -7.767 -3.020 4.852 1.00 0.00 S ATOM 1489 CE MET A 93 -8.902 -4.400 5.118 1.00 0.00 C ATOM 0 H MET A 93 -6.332 -1.271 8.407 1.00 0.00 H new ATOM 0 HA MET A 93 -6.295 -4.088 9.365 1.00 0.00 H new ATOM 0 HB2 MET A 93 -6.637 -4.496 6.745 1.00 0.00 H new ATOM 0 HB3 MET A 93 -8.000 -4.286 7.826 1.00 0.00 H new ATOM 0 HG2 MET A 93 -8.532 -2.189 6.982 1.00 0.00 H new ATOM 0 HG3 MET A 93 -6.859 -1.756 6.694 1.00 0.00 H new ATOM 0 HE1 MET A 93 -9.299 -4.735 4.160 1.00 0.00 H new ATOM 0 HE2 MET A 93 -8.370 -5.222 5.598 1.00 0.00 H new ATOM 0 HE3 MET A 93 -9.723 -4.077 5.758 1.00 0.00 H new ATOM 1499 N VAL A 94 -4.255 -4.633 7.871 1.00 0.00 N ATOM 1500 CA VAL A 94 -2.870 -4.831 7.372 1.00 0.00 C ATOM 1501 C VAL A 94 -2.897 -5.668 6.104 1.00 0.00 C ATOM 1502 O VAL A 94 -3.938 -6.027 5.592 1.00 0.00 O ATOM 1503 CB VAL A 94 -2.048 -5.574 8.428 1.00 0.00 C ATOM 1504 CG1 VAL A 94 -1.664 -4.620 9.558 1.00 0.00 C ATOM 1505 CG2 VAL A 94 -2.880 -6.727 8.986 1.00 0.00 C ATOM 0 H VAL A 94 -4.760 -5.494 8.082 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.425 -3.858 7.166 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.137 -5.963 7.973 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.079 -5.157 10.305 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.071 -3.799 9.155 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.567 -4.223 10.021 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.302 -7.262 9.739 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.790 -6.333 9.439 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.143 -7.410 8.178 1.00 0.00 H new ATOM 1515 N CYS A 95 -1.742 -5.987 5.615 1.00 0.00 N ATOM 1516 CA CYS A 95 -1.627 -6.821 4.398 1.00 0.00 C ATOM 1517 C CYS A 95 -0.197 -7.319 4.335 1.00 0.00 C ATOM 1518 O CYS A 95 0.615 -6.807 3.592 1.00 0.00 O ATOM 1519 CB CYS A 95 -1.951 -5.996 3.162 1.00 0.00 C ATOM 1520 SG CYS A 95 -1.979 -7.078 1.711 1.00 0.00 S ATOM 0 H CYS A 95 -0.850 -5.698 6.017 1.00 0.00 H new ATOM 0 HA CYS A 95 -2.328 -7.655 4.432 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -2.916 -5.504 3.282 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.207 -5.210 3.030 1.00 0.00 H new ATOM 0 HG CYS A 95 -2.030 -6.355 0.632 1.00 0.00 H new ATOM 1526 N GLU A 96 0.127 -8.285 5.150 1.00 0.00 N ATOM 1527 CA GLU A 96 1.525 -8.784 5.183 1.00 0.00 C ATOM 1528 C GLU A 96 1.879 -9.501 3.883 1.00 0.00 C ATOM 1529 O GLU A 96 1.372 -10.567 3.588 1.00 0.00 O ATOM 1530 CB GLU A 96 1.718 -9.743 6.356 1.00 0.00 C ATOM 1531 CG GLU A 96 3.208 -10.060 6.492 1.00 0.00 C ATOM 1532 CD GLU A 96 3.404 -11.184 7.511 1.00 0.00 C ATOM 1533 OE1 GLU A 96 3.056 -10.979 8.662 1.00 0.00 O ATOM 1534 OE2 GLU A 96 3.898 -12.229 7.123 1.00 0.00 O ATOM 0 H GLU A 96 -0.516 -8.748 5.792 1.00 0.00 H new ATOM 0 HA GLU A 96 2.184 -7.924 5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.342 -9.295 7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.150 -10.659 6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.616 -10.356 5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.752 -9.170 6.808 1.00 0.00 H new ATOM 1541 N GLN A 97 2.768 -8.926 3.120 1.00 0.00 N ATOM 1542 CA GLN A 97 3.198 -9.555 1.852 1.00 0.00 C ATOM 1543 C GLN A 97 4.564 -10.212 2.077 1.00 0.00 C ATOM 1544 O GLN A 97 5.501 -9.563 2.502 1.00 0.00 O ATOM 1545 CB GLN A 97 3.316 -8.474 0.780 1.00 0.00 C ATOM 1546 CG GLN A 97 1.960 -7.794 0.582 1.00 0.00 C ATOM 1547 CD GLN A 97 1.766 -7.444 -0.897 1.00 0.00 C ATOM 1548 OE1 GLN A 97 2.719 -7.368 -1.648 1.00 0.00 O ATOM 1549 NE2 GLN A 97 0.562 -7.225 -1.349 1.00 0.00 N ATOM 0 H GLN A 97 3.217 -8.035 3.330 1.00 0.00 H new ATOM 0 HA GLN A 97 2.476 -10.305 1.530 1.00 0.00 H new ATOM 0 HB2 GLN A 97 4.064 -7.737 1.074 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.653 -8.914 -0.158 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.160 -8.454 0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.904 -6.891 1.189 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.238 -7.289 -0.720 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.421 -6.990 -2.332 1.00 0.00 H new ATOM 1558 N LYS A 98 4.684 -11.492 1.821 1.00 0.00 N ATOM 1559 CA LYS A 98 5.999 -12.174 2.050 1.00 0.00 C ATOM 1560 C LYS A 98 6.463 -12.889 0.777 1.00 0.00 C ATOM 1561 O LYS A 98 5.685 -13.138 -0.120 1.00 0.00 O ATOM 1562 CB LYS A 98 5.844 -13.200 3.174 1.00 0.00 C ATOM 1563 CG LYS A 98 4.673 -14.132 2.853 1.00 0.00 C ATOM 1564 CD LYS A 98 4.504 -15.146 3.983 1.00 0.00 C ATOM 1565 CE LYS A 98 3.494 -14.613 5.001 1.00 0.00 C ATOM 1566 NZ LYS A 98 2.749 -15.752 5.607 1.00 0.00 N ATOM 0 H LYS A 98 3.937 -12.090 1.467 1.00 0.00 H new ATOM 0 HA LYS A 98 6.741 -11.424 2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.762 -13.777 3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.670 -12.693 4.123 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.757 -13.554 2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 98 4.853 -14.649 1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.163 -16.100 3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.463 -15.329 4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.009 -14.047 5.778 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.799 -13.928 4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.063 -15.389 6.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.246 -16.274 4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.418 -16.389 6.085 1.00 0.00 H new ATOM 1580 N LEU A 99 7.728 -13.236 0.707 1.00 0.00 N ATOM 1581 CA LEU A 99 8.245 -13.960 -0.505 1.00 0.00 C ATOM 1582 C LEU A 99 8.305 -15.460 -0.215 1.00 0.00 C ATOM 1583 O LEU A 99 9.201 -16.154 -0.655 1.00 0.00 O ATOM 1584 CB LEU A 99 9.637 -13.457 -0.958 1.00 0.00 C ATOM 1585 CG LEU A 99 10.447 -12.897 0.210 1.00 0.00 C ATOM 1586 CD1 LEU A 99 11.940 -13.135 -0.035 1.00 0.00 C ATOM 1587 CD2 LEU A 99 10.190 -11.393 0.324 1.00 0.00 C ATOM 0 H LEU A 99 8.423 -13.051 1.431 1.00 0.00 H new ATOM 0 HA LEU A 99 7.553 -13.757 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 99 10.186 -14.277 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 99 9.515 -12.686 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 99 10.147 -13.397 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.514 -12.734 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 99 12.128 -14.205 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.242 -12.636 -0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.766 -10.988 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.493 -10.901 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.128 -11.217 0.498 1.00 0.00 H new ATOM 1599 N LEU A 100 7.339 -15.963 0.513 1.00 0.00 N ATOM 1600 CA LEU A 100 7.300 -17.424 0.834 1.00 0.00 C ATOM 1601 C LEU A 100 8.582 -17.865 1.552 1.00 0.00 C ATOM 1602 O LEU A 100 8.905 -19.037 1.588 1.00 0.00 O ATOM 1603 CB LEU A 100 7.160 -18.211 -0.461 1.00 0.00 C ATOM 1604 CG LEU A 100 5.872 -17.793 -1.173 1.00 0.00 C ATOM 1605 CD1 LEU A 100 5.906 -18.274 -2.625 1.00 0.00 C ATOM 1606 CD2 LEU A 100 4.669 -18.413 -0.458 1.00 0.00 C ATOM 0 H LEU A 100 6.569 -15.419 0.902 1.00 0.00 H new ATOM 0 HA LEU A 100 6.452 -17.613 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.020 -18.029 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.141 -19.280 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 100 5.786 -16.707 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.987 -17.975 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.761 -17.830 -3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.994 -19.360 -2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.751 -18.115 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.756 -19.499 -0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.641 -18.066 0.575 1.00 0.00 H new ATOM 1618 N LYS A 101 9.305 -16.942 2.123 1.00 0.00 N ATOM 1619 CA LYS A 101 10.563 -17.298 2.843 1.00 0.00 C ATOM 1620 C LYS A 101 11.161 -16.036 3.459 1.00 0.00 C ATOM 1621 O LYS A 101 11.280 -15.915 4.663 1.00 0.00 O ATOM 1622 CB LYS A 101 11.565 -17.905 1.864 1.00 0.00 C ATOM 1623 CG LYS A 101 12.589 -18.742 2.634 1.00 0.00 C ATOM 1624 CD LYS A 101 13.663 -17.822 3.218 1.00 0.00 C ATOM 1625 CE LYS A 101 15.005 -18.555 3.245 1.00 0.00 C ATOM 1626 NZ LYS A 101 15.671 -18.423 1.918 1.00 0.00 N ATOM 0 H LYS A 101 9.077 -15.948 2.122 1.00 0.00 H new ATOM 0 HA LYS A 101 10.340 -18.023 3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.046 -18.527 1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.070 -17.115 1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.095 -19.296 3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.046 -19.477 1.972 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.744 -16.915 2.619 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.384 -17.515 4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.642 -18.140 4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.852 -19.607 3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.584 -18.921 1.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.064 -18.838 1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.830 -17.417 1.708 1.00 0.00 H new ATOM 1640 N GLY A 102 11.531 -15.097 2.633 1.00 0.00 N ATOM 1641 CA GLY A 102 12.121 -13.827 3.146 1.00 0.00 C ATOM 1642 C GLY A 102 13.631 -13.985 3.304 1.00 0.00 C ATOM 1643 O GLY A 102 14.117 -15.003 3.761 1.00 0.00 O ATOM 0 H GLY A 102 11.450 -15.155 1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.902 -13.010 2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.671 -13.567 4.104 1.00 0.00 H new ATOM 1647 N GLU A 103 14.370 -12.972 2.943 1.00 0.00 N ATOM 1648 CA GLU A 103 15.852 -13.027 3.079 1.00 0.00 C ATOM 1649 C GLU A 103 16.287 -11.957 4.077 1.00 0.00 C ATOM 1650 O GLU A 103 17.131 -12.184 4.923 1.00 0.00 O ATOM 1651 CB GLU A 103 16.517 -12.781 1.720 1.00 0.00 C ATOM 1652 CG GLU A 103 15.978 -11.491 1.095 1.00 0.00 C ATOM 1653 CD GLU A 103 16.612 -11.292 -0.283 1.00 0.00 C ATOM 1654 OE1 GLU A 103 16.710 -12.263 -1.014 1.00 0.00 O ATOM 1655 OE2 GLU A 103 16.989 -10.171 -0.583 1.00 0.00 O ATOM 0 H GLU A 103 14.006 -12.101 2.556 1.00 0.00 H new ATOM 0 HA GLU A 103 16.155 -14.012 3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 103 17.598 -12.711 1.843 1.00 0.00 H new ATOM 0 HB3 GLU A 103 16.326 -13.624 1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.893 -11.543 1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 103 16.204 -10.640 1.738 1.00 0.00 H new ATOM 1662 N GLY A 104 15.693 -10.797 3.992 1.00 0.00 N ATOM 1663 CA GLY A 104 16.030 -9.698 4.935 1.00 0.00 C ATOM 1664 C GLY A 104 14.735 -8.947 5.285 1.00 0.00 C ATOM 1665 O GLY A 104 14.059 -9.319 6.224 1.00 0.00 O ATOM 0 H GLY A 104 14.981 -10.564 3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 104 16.491 -10.100 5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 104 16.753 -9.018 4.483 1.00 0.00 H new ATOM 1669 N PRO A 105 14.402 -7.918 4.522 1.00 0.00 N ATOM 1670 CA PRO A 105 13.175 -7.145 4.761 1.00 0.00 C ATOM 1671 C PRO A 105 11.976 -7.846 4.107 1.00 0.00 C ATOM 1672 O PRO A 105 12.026 -9.030 3.827 1.00 0.00 O ATOM 1673 CB PRO A 105 13.465 -5.801 4.094 1.00 0.00 C ATOM 1674 CG PRO A 105 14.568 -6.055 3.038 1.00 0.00 C ATOM 1675 CD PRO A 105 15.202 -7.420 3.375 1.00 0.00 C ATOM 0 HA PRO A 105 12.924 -7.039 5.816 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.566 -5.400 3.626 1.00 0.00 H new ATOM 0 HB3 PRO A 105 13.795 -5.068 4.830 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.146 -6.062 2.033 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.317 -5.264 3.064 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.151 -8.103 2.527 1.00 0.00 H new ATOM 0 HD3 PRO A 105 16.255 -7.316 3.638 1.00 0.00 H new ATOM 1683 N LYS A 106 10.896 -7.135 3.875 1.00 0.00 N ATOM 1684 CA LYS A 106 9.699 -7.771 3.257 1.00 0.00 C ATOM 1685 C LYS A 106 8.689 -6.695 2.847 1.00 0.00 C ATOM 1686 O LYS A 106 8.850 -5.529 3.155 1.00 0.00 O ATOM 1687 CB LYS A 106 9.068 -8.704 4.287 1.00 0.00 C ATOM 1688 CG LYS A 106 8.808 -10.088 3.670 1.00 0.00 C ATOM 1689 CD LYS A 106 9.382 -11.179 4.579 1.00 0.00 C ATOM 1690 CE LYS A 106 8.608 -11.205 5.897 1.00 0.00 C ATOM 1691 NZ LYS A 106 9.331 -12.061 6.879 1.00 0.00 N ATOM 0 H LYS A 106 10.797 -6.143 4.089 1.00 0.00 H new ATOM 0 HA LYS A 106 9.990 -8.331 2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 106 9.727 -8.802 5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 106 8.132 -8.278 4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 106 7.737 -10.241 3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 106 9.265 -10.147 2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.315 -12.149 4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.438 -10.990 4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.501 -10.193 6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.602 -11.591 5.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.806 -12.080 7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.411 -13.028 6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.282 -11.674 7.043 1.00 0.00 H new ATOM 1705 N THR A 107 7.648 -7.086 2.158 1.00 0.00 N ATOM 1706 CA THR A 107 6.619 -6.106 1.720 1.00 0.00 C ATOM 1707 C THR A 107 5.370 -6.257 2.589 1.00 0.00 C ATOM 1708 O THR A 107 5.212 -7.228 3.301 1.00 0.00 O ATOM 1709 CB THR A 107 6.259 -6.391 0.257 1.00 0.00 C ATOM 1710 OG1 THR A 107 6.292 -7.792 0.016 1.00 0.00 O ATOM 1711 CG2 THR A 107 7.259 -5.707 -0.670 1.00 0.00 C ATOM 0 H THR A 107 7.469 -8.051 1.880 1.00 0.00 H new ATOM 0 HA THR A 107 7.006 -5.092 1.818 1.00 0.00 H new ATOM 0 HB THR A 107 5.258 -6.006 0.063 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.060 -7.969 -0.920 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.995 -5.915 -1.707 1.00 0.00 H new ATOM 0 HG22 THR A 107 7.237 -4.631 -0.499 1.00 0.00 H new ATOM 0 HG23 THR A 107 8.261 -6.086 -0.467 1.00 0.00 H new ATOM 1719 N SER A 108 4.484 -5.293 2.536 1.00 0.00 N ATOM 1720 CA SER A 108 3.229 -5.350 3.352 1.00 0.00 C ATOM 1721 C SER A 108 2.519 -3.999 3.248 1.00 0.00 C ATOM 1722 O SER A 108 3.078 -3.044 2.744 1.00 0.00 O ATOM 1723 CB SER A 108 3.568 -5.612 4.824 1.00 0.00 C ATOM 1724 OG SER A 108 4.777 -4.939 5.154 1.00 0.00 O ATOM 0 H SER A 108 4.577 -4.459 1.956 1.00 0.00 H new ATOM 0 HA SER A 108 2.593 -6.153 2.980 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.757 -5.263 5.464 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.674 -6.682 5.000 1.00 0.00 H new ATOM 0 HG SER A 108 4.996 -5.103 6.095 1.00 0.00 H new ATOM 1730 N TRP A 109 1.316 -3.892 3.760 1.00 0.00 N ATOM 1731 CA TRP A 109 0.614 -2.573 3.734 1.00 0.00 C ATOM 1732 C TRP A 109 -0.505 -2.564 4.739 1.00 0.00 C ATOM 1733 O TRP A 109 -1.183 -3.553 4.947 1.00 0.00 O ATOM 1734 CB TRP A 109 0.086 -2.182 2.335 1.00 0.00 C ATOM 1735 CG TRP A 109 -1.044 -3.017 1.809 1.00 0.00 C ATOM 1736 CD1 TRP A 109 -0.951 -3.767 0.691 1.00 0.00 C ATOM 1737 CD2 TRP A 109 -2.438 -3.139 2.269 1.00 0.00 C ATOM 1738 NE1 TRP A 109 -2.175 -4.352 0.431 1.00 0.00 N ATOM 1739 CE2 TRP A 109 -3.122 -4.004 1.372 1.00 0.00 C ATOM 1740 CE3 TRP A 109 -3.175 -2.611 3.360 1.00 0.00 C ATOM 1741 CZ2 TRP A 109 -4.471 -4.325 1.546 1.00 0.00 C ATOM 1742 CZ3 TRP A 109 -4.527 -2.941 3.530 1.00 0.00 C ATOM 1743 CH2 TRP A 109 -5.170 -3.793 2.626 1.00 0.00 C ATOM 0 H TRP A 109 0.795 -4.655 4.191 1.00 0.00 H new ATOM 0 HA TRP A 109 1.357 -1.821 3.999 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -0.239 -1.142 2.367 1.00 0.00 H new ATOM 0 HB3 TRP A 109 0.913 -2.235 1.627 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -0.060 -3.890 0.094 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -2.357 -4.968 -0.362 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -2.691 -1.950 4.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.968 -4.982 0.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.077 -2.534 4.366 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.212 -4.039 2.766 1.00 0.00 H new ATOM 1754 N THR A 110 -0.697 -1.442 5.378 1.00 0.00 N ATOM 1755 CA THR A 110 -1.776 -1.343 6.390 1.00 0.00 C ATOM 1756 C THR A 110 -2.607 -0.094 6.141 1.00 0.00 C ATOM 1757 O THR A 110 -2.159 1.019 6.326 1.00 0.00 O ATOM 1758 CB THR A 110 -1.177 -1.294 7.789 1.00 0.00 C ATOM 1759 OG1 THR A 110 -0.524 -0.047 7.982 1.00 0.00 O ATOM 1760 CG2 THR A 110 -0.172 -2.434 7.958 1.00 0.00 C ATOM 0 H THR A 110 -0.151 -0.592 5.240 1.00 0.00 H new ATOM 0 HA THR A 110 -2.417 -2.221 6.309 1.00 0.00 H new ATOM 0 HB THR A 110 -1.971 -1.404 8.527 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.749 0.558 7.244 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.255 -2.397 8.960 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.677 -3.389 7.814 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.624 -2.330 7.220 1.00 0.00 H new ATOM 1768 N ARG A 111 -3.826 -0.290 5.742 1.00 0.00 N ATOM 1769 CA ARG A 111 -4.737 0.862 5.483 1.00 0.00 C ATOM 1770 C ARG A 111 -5.421 1.219 6.796 1.00 0.00 C ATOM 1771 O ARG A 111 -5.960 0.363 7.446 1.00 0.00 O ATOM 1772 CB ARG A 111 -5.782 0.444 4.440 1.00 0.00 C ATOM 1773 CG ARG A 111 -5.136 0.377 3.056 1.00 0.00 C ATOM 1774 CD ARG A 111 -6.135 -0.211 2.057 1.00 0.00 C ATOM 1775 NE ARG A 111 -5.920 0.401 0.716 1.00 0.00 N ATOM 1776 CZ ARG A 111 -6.191 1.663 0.519 1.00 0.00 C ATOM 1777 NH1 ARG A 111 -7.281 2.185 1.014 1.00 0.00 N ATOM 1778 NH2 ARG A 111 -5.370 2.404 -0.174 1.00 0.00 N ATOM 0 H ARG A 111 -4.240 -1.208 5.581 1.00 0.00 H new ATOM 0 HA ARG A 111 -4.185 1.723 5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -6.203 -0.527 4.702 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.606 1.157 4.432 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.829 1.373 2.737 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.236 -0.237 3.092 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.012 -1.292 1.998 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.155 -0.024 2.394 1.00 0.00 H new ATOM 0 HE ARG A 111 -5.560 -0.167 -0.051 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -7.923 1.607 1.556 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -7.490 3.171 0.859 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.518 1.997 -0.561 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -5.580 3.390 -0.329 1.00 0.00 H new ATOM 1792 N GLU A 112 -5.400 2.461 7.207 1.00 0.00 N ATOM 1793 CA GLU A 112 -6.057 2.812 8.504 1.00 0.00 C ATOM 1794 C GLU A 112 -6.988 4.000 8.310 1.00 0.00 C ATOM 1795 O GLU A 112 -6.785 4.824 7.448 1.00 0.00 O ATOM 1796 CB GLU A 112 -4.992 3.143 9.554 1.00 0.00 C ATOM 1797 CG GLU A 112 -5.663 3.370 10.912 1.00 0.00 C ATOM 1798 CD GLU A 112 -4.603 3.727 11.954 1.00 0.00 C ATOM 1799 OE1 GLU A 112 -3.545 3.119 11.928 1.00 0.00 O ATOM 1800 OE2 GLU A 112 -4.866 4.603 12.762 1.00 0.00 O ATOM 0 H GLU A 112 -4.964 3.238 6.710 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.642 1.960 8.850 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.271 2.329 9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.438 4.034 9.257 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -6.398 4.172 10.837 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.201 2.473 11.218 1.00 0.00 H new ATOM 1807 N LEU A 113 -8.022 4.068 9.101 1.00 0.00 N ATOM 1808 CA LEU A 113 -9.009 5.175 8.979 1.00 0.00 C ATOM 1809 C LEU A 113 -8.869 6.124 10.172 1.00 0.00 C ATOM 1810 O LEU A 113 -8.215 5.811 11.149 1.00 0.00 O ATOM 1811 CB LEU A 113 -10.409 4.549 8.974 1.00 0.00 C ATOM 1812 CG LEU A 113 -10.828 4.103 7.565 1.00 0.00 C ATOM 1813 CD1 LEU A 113 -11.249 5.315 6.750 1.00 0.00 C ATOM 1814 CD2 LEU A 113 -9.689 3.377 6.850 1.00 0.00 C ATOM 0 H LEU A 113 -8.227 3.393 9.838 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.840 5.743 8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -10.427 3.692 9.647 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -11.131 5.270 9.357 1.00 0.00 H new ATOM 0 HG LEU A 113 -11.665 3.411 7.663 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -11.546 4.996 5.751 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -12.090 5.808 7.238 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -10.414 6.011 6.676 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -10.018 3.074 5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -8.831 4.044 6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -9.404 2.494 7.422 1.00 0.00 H new ATOM 1826 N THR A 114 -9.481 7.279 10.099 1.00 0.00 N ATOM 1827 CA THR A 114 -9.391 8.252 11.227 1.00 0.00 C ATOM 1828 C THR A 114 -10.601 9.189 11.195 1.00 0.00 C ATOM 1829 O THR A 114 -10.892 9.806 10.189 1.00 0.00 O ATOM 1830 CB THR A 114 -8.106 9.074 11.092 1.00 0.00 C ATOM 1831 OG1 THR A 114 -7.089 8.268 10.514 1.00 0.00 O ATOM 1832 CG2 THR A 114 -7.656 9.554 12.473 1.00 0.00 C ATOM 0 H THR A 114 -10.040 7.590 9.304 1.00 0.00 H new ATOM 0 HA THR A 114 -9.378 7.709 12.172 1.00 0.00 H new ATOM 0 HB THR A 114 -8.293 9.938 10.454 1.00 0.00 H new ATOM 0 HG1 THR A 114 -6.976 8.511 9.571 1.00 0.00 H new ATOM 0 HG21 THR A 114 -6.741 10.139 12.375 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.437 10.173 12.915 1.00 0.00 H new ATOM 0 HG23 THR A 114 -7.469 8.693 13.114 1.00 0.00 H new ATOM 1840 N ASN A 115 -11.303 9.295 12.294 1.00 0.00 N ATOM 1841 CA ASN A 115 -12.501 10.187 12.358 1.00 0.00 C ATOM 1842 C ASN A 115 -13.542 9.743 11.316 1.00 0.00 C ATOM 1843 O ASN A 115 -14.398 8.928 11.607 1.00 0.00 O ATOM 1844 CB ASN A 115 -12.074 11.642 12.115 1.00 0.00 C ATOM 1845 CG ASN A 115 -11.232 12.131 13.295 1.00 0.00 C ATOM 1846 OD1 ASN A 115 -11.505 11.797 14.431 1.00 0.00 O ATOM 1847 ND2 ASN A 115 -10.213 12.915 13.072 1.00 0.00 N ATOM 0 H ASN A 115 -11.095 8.796 13.159 1.00 0.00 H new ATOM 0 HA ASN A 115 -12.954 10.117 13.347 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -11.501 11.714 11.191 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -12.953 12.275 11.995 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -9.645 13.248 13.851 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -9.984 13.195 12.118 1.00 0.00 H new ATOM 1854 N ASP A 116 -13.484 10.266 10.112 1.00 0.00 N ATOM 1855 CA ASP A 116 -14.476 9.867 9.071 1.00 0.00 C ATOM 1856 C ASP A 116 -14.037 10.411 7.711 1.00 0.00 C ATOM 1857 O ASP A 116 -14.856 10.754 6.878 1.00 0.00 O ATOM 1858 CB ASP A 116 -15.846 10.444 9.428 1.00 0.00 C ATOM 1859 CG ASP A 116 -16.944 9.509 8.918 1.00 0.00 C ATOM 1860 OD1 ASP A 116 -17.083 8.432 9.475 1.00 0.00 O ATOM 1861 OD2 ASP A 116 -17.627 9.885 7.979 1.00 0.00 O ATOM 0 H ASP A 116 -12.792 10.951 9.810 1.00 0.00 H new ATOM 0 HA ASP A 116 -14.537 8.780 9.026 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -15.931 10.566 10.508 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -15.962 11.433 8.985 1.00 0.00 H new ATOM 1866 N GLY A 117 -12.752 10.492 7.481 1.00 0.00 N ATOM 1867 CA GLY A 117 -12.254 11.015 6.172 1.00 0.00 C ATOM 1868 C GLY A 117 -10.751 11.273 6.256 1.00 0.00 C ATOM 1869 O GLY A 117 -10.248 12.257 5.750 1.00 0.00 O ATOM 0 H GLY A 117 -12.025 10.219 8.143 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -12.465 10.297 5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -12.777 11.936 5.916 1.00 0.00 H new ATOM 1873 N GLU A 118 -10.033 10.386 6.883 1.00 0.00 N ATOM 1874 CA GLU A 118 -8.558 10.548 6.999 1.00 0.00 C ATOM 1875 C GLU A 118 -7.929 9.156 6.937 1.00 0.00 C ATOM 1876 O GLU A 118 -7.488 8.612 7.932 1.00 0.00 O ATOM 1877 CB GLU A 118 -8.212 11.223 8.329 1.00 0.00 C ATOM 1878 CG GLU A 118 -7.977 12.717 8.100 1.00 0.00 C ATOM 1879 CD GLU A 118 -7.211 13.301 9.288 1.00 0.00 C ATOM 1880 OE1 GLU A 118 -6.155 12.778 9.601 1.00 0.00 O ATOM 1881 OE2 GLU A 118 -7.694 14.262 9.865 1.00 0.00 O ATOM 0 H GLU A 118 -10.409 9.547 7.325 1.00 0.00 H new ATOM 0 HA GLU A 118 -8.177 11.172 6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.022 11.077 9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -7.321 10.766 8.759 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -7.414 12.870 7.180 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.930 13.232 7.980 1.00 0.00 H new ATOM 1888 N LEU A 119 -7.927 8.569 5.773 1.00 0.00 N ATOM 1889 CA LEU A 119 -7.378 7.194 5.610 1.00 0.00 C ATOM 1890 C LEU A 119 -5.856 7.229 5.416 1.00 0.00 C ATOM 1891 O LEU A 119 -5.372 7.539 4.350 1.00 0.00 O ATOM 1892 CB LEU A 119 -8.039 6.563 4.381 1.00 0.00 C ATOM 1893 CG LEU A 119 -7.841 5.046 4.389 1.00 0.00 C ATOM 1894 CD1 LEU A 119 -9.117 4.355 3.899 1.00 0.00 C ATOM 1895 CD2 LEU A 119 -6.685 4.681 3.462 1.00 0.00 C ATOM 0 H LEU A 119 -8.287 8.989 4.916 1.00 0.00 H new ATOM 0 HA LEU A 119 -7.587 6.610 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.104 6.797 4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.612 6.987 3.472 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.618 4.718 5.404 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.972 3.275 3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.947 4.614 4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.342 4.684 2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.542 3.600 3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.912 5.013 2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.774 5.169 3.808 1.00 0.00 H new ATOM 1907 N ILE A 120 -5.099 6.882 6.430 1.00 0.00 N ATOM 1908 CA ILE A 120 -3.610 6.867 6.279 1.00 0.00 C ATOM 1909 C ILE A 120 -3.199 5.465 5.834 1.00 0.00 C ATOM 1910 O ILE A 120 -3.322 4.509 6.567 1.00 0.00 O ATOM 1911 CB ILE A 120 -2.940 7.251 7.603 1.00 0.00 C ATOM 1912 CG1 ILE A 120 -3.282 6.228 8.693 1.00 0.00 C ATOM 1913 CG2 ILE A 120 -3.455 8.622 8.025 1.00 0.00 C ATOM 1914 CD1 ILE A 120 -2.112 5.255 8.873 1.00 0.00 C ATOM 0 H ILE A 120 -5.446 6.610 7.350 1.00 0.00 H new ATOM 0 HA ILE A 120 -3.290 7.595 5.533 1.00 0.00 H new ATOM 0 HB ILE A 120 -1.858 7.271 7.469 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -3.490 6.739 9.633 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.184 5.680 8.421 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.988 8.912 8.966 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.209 9.355 7.257 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -4.537 8.581 8.154 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -2.358 4.529 9.648 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -1.925 4.734 7.934 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -1.220 5.809 9.165 1.00 0.00 H new ATOM 1926 N LEU A 121 -2.763 5.337 4.615 1.00 0.00 N ATOM 1927 CA LEU A 121 -2.406 3.999 4.079 1.00 0.00 C ATOM 1928 C LEU A 121 -0.882 3.865 3.899 1.00 0.00 C ATOM 1929 O LEU A 121 -0.239 4.653 3.231 1.00 0.00 O ATOM 1930 CB LEU A 121 -3.180 3.828 2.749 1.00 0.00 C ATOM 1931 CG LEU A 121 -2.705 2.626 1.913 1.00 0.00 C ATOM 1932 CD1 LEU A 121 -1.486 3.035 1.090 1.00 0.00 C ATOM 1933 CD2 LEU A 121 -2.342 1.436 2.800 1.00 0.00 C ATOM 0 H LEU A 121 -2.638 6.110 3.961 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.687 3.206 4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.241 3.712 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.074 4.737 2.157 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.521 2.323 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.146 2.186 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.754 3.858 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.686 3.354 1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.011 0.605 2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.540 1.721 3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.216 1.132 3.376 1.00 0.00 H new ATOM 1945 N THR A 122 -0.319 2.851 4.513 1.00 0.00 N ATOM 1946 CA THR A 122 1.151 2.588 4.430 1.00 0.00 C ATOM 1947 C THR A 122 1.390 1.341 3.579 1.00 0.00 C ATOM 1948 O THR A 122 0.529 0.507 3.443 1.00 0.00 O ATOM 1949 CB THR A 122 1.680 2.303 5.830 1.00 0.00 C ATOM 1950 OG1 THR A 122 1.324 3.365 6.704 1.00 0.00 O ATOM 1951 CG2 THR A 122 3.198 2.149 5.790 1.00 0.00 C ATOM 0 H THR A 122 -0.832 2.178 5.083 1.00 0.00 H new ATOM 0 HA THR A 122 1.652 3.452 3.994 1.00 0.00 H new ATOM 0 HB THR A 122 1.239 1.376 6.197 1.00 0.00 H new ATOM 0 HG1 THR A 122 1.665 3.177 7.603 1.00 0.00 H new ATOM 0 HG21 THR A 122 3.570 1.945 6.794 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.463 1.322 5.131 1.00 0.00 H new ATOM 0 HG23 THR A 122 3.647 3.069 5.416 1.00 0.00 H new ATOM 1959 N MET A 123 2.564 1.191 3.042 1.00 0.00 N ATOM 1960 CA MET A 123 2.866 -0.024 2.227 1.00 0.00 C ATOM 1961 C MET A 123 4.372 -0.239 2.184 1.00 0.00 C ATOM 1962 O MET A 123 5.071 0.328 1.367 1.00 0.00 O ATOM 1963 CB MET A 123 2.324 0.142 0.816 1.00 0.00 C ATOM 1964 CG MET A 123 2.488 -1.182 0.055 1.00 0.00 C ATOM 1965 SD MET A 123 3.913 -1.092 -1.057 1.00 0.00 S ATOM 1966 CE MET A 123 3.345 0.332 -2.009 1.00 0.00 C ATOM 0 H MET A 123 3.332 1.856 3.130 1.00 0.00 H new ATOM 0 HA MET A 123 2.388 -0.891 2.683 1.00 0.00 H new ATOM 0 HB2 MET A 123 1.273 0.429 0.848 1.00 0.00 H new ATOM 0 HB3 MET A 123 2.857 0.941 0.300 1.00 0.00 H new ATOM 0 HG2 MET A 123 2.620 -2.002 0.761 1.00 0.00 H new ATOM 0 HG3 MET A 123 1.585 -1.396 -0.516 1.00 0.00 H new ATOM 0 HE1 MET A 123 3.641 0.214 -3.051 1.00 0.00 H new ATOM 0 HE2 MET A 123 2.259 0.402 -1.946 1.00 0.00 H new ATOM 0 HE3 MET A 123 3.791 1.241 -1.606 1.00 0.00 H new ATOM 1976 N THR A 124 4.873 -1.044 3.078 1.00 0.00 N ATOM 1977 CA THR A 124 6.345 -1.292 3.132 1.00 0.00 C ATOM 1978 C THR A 124 6.792 -2.130 1.950 1.00 0.00 C ATOM 1979 O THR A 124 5.992 -2.670 1.209 1.00 0.00 O ATOM 1980 CB THR A 124 6.754 -2.003 4.443 1.00 0.00 C ATOM 1981 OG1 THR A 124 6.720 -3.417 4.274 1.00 0.00 O ATOM 1982 CG2 THR A 124 5.828 -1.621 5.602 1.00 0.00 C ATOM 0 H THR A 124 4.326 -1.544 3.778 1.00 0.00 H new ATOM 0 HA THR A 124 6.835 -0.319 3.095 1.00 0.00 H new ATOM 0 HB THR A 124 7.768 -1.681 4.681 1.00 0.00 H new ATOM 0 HG1 THR A 124 5.820 -3.749 4.475 1.00 0.00 H new ATOM 0 HG21 THR A 124 6.145 -2.139 6.507 1.00 0.00 H new ATOM 0 HG22 THR A 124 5.874 -0.544 5.765 1.00 0.00 H new ATOM 0 HG23 THR A 124 4.805 -1.907 5.360 1.00 0.00 H new ATOM 1990 N ALA A 125 8.084 -2.240 1.783 1.00 0.00 N ATOM 1991 CA ALA A 125 8.613 -3.050 0.650 1.00 0.00 C ATOM 1992 C ALA A 125 10.138 -3.158 0.683 1.00 0.00 C ATOM 1993 O ALA A 125 10.845 -2.250 0.300 1.00 0.00 O ATOM 1994 CB ALA A 125 8.193 -2.414 -0.669 1.00 0.00 C ATOM 0 H ALA A 125 8.790 -1.807 2.378 1.00 0.00 H new ATOM 0 HA ALA A 125 8.200 -4.054 0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.580 -3.006 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 125 7.105 -2.378 -0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.593 -1.402 -0.729 1.00 0.00 H new ATOM 2000 N ASP A 126 10.656 -4.284 1.096 1.00 0.00 N ATOM 2001 CA ASP A 126 12.141 -4.461 1.124 1.00 0.00 C ATOM 2002 C ASP A 126 12.750 -3.488 2.139 1.00 0.00 C ATOM 2003 O ASP A 126 13.854 -3.013 1.964 1.00 0.00 O ATOM 2004 CB ASP A 126 12.724 -4.184 -0.269 1.00 0.00 C ATOM 2005 CG ASP A 126 13.496 -5.409 -0.769 1.00 0.00 C ATOM 2006 OD1 ASP A 126 13.097 -6.512 -0.436 1.00 0.00 O ATOM 2007 OD2 ASP A 126 14.471 -5.221 -1.477 1.00 0.00 O ATOM 0 H ASP A 126 10.117 -5.089 1.415 1.00 0.00 H new ATOM 0 HA ASP A 126 12.377 -5.485 1.413 1.00 0.00 H new ATOM 0 HB2 ASP A 126 11.922 -3.941 -0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 126 13.386 -3.319 -0.230 1.00 0.00 H new ATOM 2012 N ASP A 127 12.015 -3.211 3.196 1.00 0.00 N ATOM 2013 CA ASP A 127 12.463 -2.286 4.303 1.00 0.00 C ATOM 2014 C ASP A 127 11.987 -0.856 4.044 1.00 0.00 C ATOM 2015 O ASP A 127 12.131 0.002 4.896 1.00 0.00 O ATOM 2016 CB ASP A 127 13.989 -2.291 4.486 1.00 0.00 C ATOM 2017 CG ASP A 127 14.333 -1.929 5.932 1.00 0.00 C ATOM 2018 OD1 ASP A 127 13.610 -2.355 6.817 1.00 0.00 O ATOM 2019 OD2 ASP A 127 15.314 -1.232 6.129 1.00 0.00 O ATOM 0 H ASP A 127 11.085 -3.603 3.344 1.00 0.00 H new ATOM 0 HA ASP A 127 12.011 -2.661 5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 127 14.392 -3.274 4.241 1.00 0.00 H new ATOM 0 HB3 ASP A 127 14.450 -1.578 3.802 1.00 0.00 H new ATOM 2024 N VAL A 128 11.408 -0.584 2.898 1.00 0.00 N ATOM 2025 CA VAL A 128 10.918 0.787 2.632 1.00 0.00 C ATOM 2026 C VAL A 128 9.519 0.918 3.224 1.00 0.00 C ATOM 2027 O VAL A 128 8.956 -0.041 3.706 1.00 0.00 O ATOM 2028 CB VAL A 128 10.881 1.038 1.113 1.00 0.00 C ATOM 2029 CG1 VAL A 128 12.232 0.671 0.492 1.00 0.00 C ATOM 2030 CG2 VAL A 128 9.786 0.195 0.455 1.00 0.00 C ATOM 0 H VAL A 128 11.258 -1.255 2.145 1.00 0.00 H new ATOM 0 HA VAL A 128 11.581 1.523 3.086 1.00 0.00 H new ATOM 0 HB VAL A 128 10.670 2.094 0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 128 12.199 0.851 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 128 13.016 1.283 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.444 -0.382 0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 128 9.775 0.386 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 128 9.984 -0.862 0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 128 8.818 0.460 0.880 1.00 0.00 H new ATOM 2040 N VAL A 129 8.957 2.087 3.169 1.00 0.00 N ATOM 2041 CA VAL A 129 7.584 2.283 3.698 1.00 0.00 C ATOM 2042 C VAL A 129 6.948 3.492 3.010 1.00 0.00 C ATOM 2043 O VAL A 129 7.376 4.619 3.165 1.00 0.00 O ATOM 2044 CB VAL A 129 7.639 2.408 5.240 1.00 0.00 C ATOM 2045 CG1 VAL A 129 6.633 3.447 5.783 1.00 0.00 C ATOM 2046 CG2 VAL A 129 7.322 1.032 5.850 1.00 0.00 C ATOM 0 H VAL A 129 9.393 2.922 2.777 1.00 0.00 H new ATOM 0 HA VAL A 129 6.951 1.424 3.477 1.00 0.00 H new ATOM 0 HB VAL A 129 8.637 2.747 5.517 1.00 0.00 H new ATOM 0 HG11 VAL A 129 6.712 3.496 6.869 1.00 0.00 H new ATOM 0 HG12 VAL A 129 6.856 4.426 5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 129 5.621 3.153 5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 129 7.356 1.100 6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 129 6.327 0.716 5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 129 8.058 0.304 5.509 1.00 0.00 H new ATOM 2056 N CYS A 130 5.915 3.236 2.260 1.00 0.00 N ATOM 2057 CA CYS A 130 5.202 4.332 1.545 1.00 0.00 C ATOM 2058 C CYS A 130 4.017 4.783 2.398 1.00 0.00 C ATOM 2059 O CYS A 130 2.948 4.206 2.343 1.00 0.00 O ATOM 2060 CB CYS A 130 4.698 3.819 0.195 1.00 0.00 C ATOM 2061 SG CYS A 130 4.055 5.204 -0.776 1.00 0.00 S ATOM 0 H CYS A 130 5.529 2.304 2.109 1.00 0.00 H new ATOM 0 HA CYS A 130 5.879 5.170 1.377 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.508 3.328 -0.345 1.00 0.00 H new ATOM 0 HB3 CYS A 130 3.917 3.073 0.346 1.00 0.00 H new ATOM 0 HG CYS A 130 3.629 4.768 -1.924 1.00 0.00 H new ATOM 2067 N THR A 131 4.208 5.799 3.197 1.00 0.00 N ATOM 2068 CA THR A 131 3.106 6.285 4.076 1.00 0.00 C ATOM 2069 C THR A 131 2.557 7.608 3.551 1.00 0.00 C ATOM 2070 O THR A 131 3.300 8.519 3.235 1.00 0.00 O ATOM 2071 CB THR A 131 3.647 6.506 5.490 1.00 0.00 C ATOM 2072 OG1 THR A 131 4.742 5.631 5.723 1.00 0.00 O ATOM 2073 CG2 THR A 131 2.544 6.230 6.513 1.00 0.00 C ATOM 0 H THR A 131 5.084 6.315 3.278 1.00 0.00 H new ATOM 0 HA THR A 131 2.310 5.540 4.086 1.00 0.00 H new ATOM 0 HB THR A 131 3.981 7.539 5.590 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.089 5.775 6.628 1.00 0.00 H new ATOM 0 HG21 THR A 131 2.933 6.388 7.519 1.00 0.00 H new ATOM 0 HG22 THR A 131 1.707 6.906 6.337 1.00 0.00 H new ATOM 0 HG23 THR A 131 2.205 5.199 6.413 1.00 0.00 H new ATOM 2081 N ARG A 132 1.260 7.723 3.478 1.00 0.00 N ATOM 2082 CA ARG A 132 0.641 8.994 2.997 1.00 0.00 C ATOM 2083 C ARG A 132 -0.811 9.042 3.458 1.00 0.00 C ATOM 2084 O ARG A 132 -1.545 8.080 3.327 1.00 0.00 O ATOM 2085 CB ARG A 132 0.710 9.104 1.463 1.00 0.00 C ATOM 2086 CG ARG A 132 0.591 7.728 0.803 1.00 0.00 C ATOM 2087 CD ARG A 132 0.471 7.904 -0.709 1.00 0.00 C ATOM 2088 NE ARG A 132 0.771 6.611 -1.387 1.00 0.00 N ATOM 2089 CZ ARG A 132 0.947 6.577 -2.680 1.00 0.00 C ATOM 2090 NH1 ARG A 132 1.712 7.462 -3.258 1.00 0.00 N ATOM 2091 NH2 ARG A 132 0.358 5.657 -3.394 1.00 0.00 N ATOM 0 H ARG A 132 0.598 6.990 3.731 1.00 0.00 H new ATOM 0 HA ARG A 132 1.195 9.835 3.415 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -0.091 9.752 1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 132 1.651 9.570 1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 132 1.464 7.120 1.042 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -0.281 7.200 1.190 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -0.534 8.238 -0.968 1.00 0.00 H new ATOM 0 HD3 ARG A 132 1.161 8.675 -1.052 1.00 0.00 H new ATOM 0 HE ARG A 132 0.839 5.752 -0.840 1.00 0.00 H new ATOM 0 HH11 ARG A 132 2.173 8.181 -2.699 1.00 0.00 H new ATOM 0 HH12 ARG A 132 1.849 7.435 -4.268 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -0.240 4.965 -2.942 1.00 0.00 H new ATOM 0 HH22 ARG A 132 0.495 5.630 -4.404 1.00 0.00 H new ATOM 2105 N VAL A 133 -1.224 10.152 4.010 1.00 0.00 N ATOM 2106 CA VAL A 133 -2.625 10.270 4.498 1.00 0.00 C ATOM 2107 C VAL A 133 -3.559 10.466 3.311 1.00 0.00 C ATOM 2108 O VAL A 133 -3.164 10.931 2.268 1.00 0.00 O ATOM 2109 CB VAL A 133 -2.732 11.467 5.459 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -4.196 11.707 5.847 1.00 0.00 C ATOM 2111 CG2 VAL A 133 -1.914 11.175 6.720 1.00 0.00 C ATOM 0 H VAL A 133 -0.648 10.983 4.143 1.00 0.00 H new ATOM 0 HA VAL A 133 -2.909 9.361 5.028 1.00 0.00 H new ATOM 0 HB VAL A 133 -2.347 12.358 4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.258 12.557 6.527 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.780 11.916 4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -4.592 10.819 6.339 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -1.986 12.020 7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -2.302 10.280 7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -0.870 11.017 6.448 1.00 0.00 H new ATOM 2121 N TYR A 134 -4.802 10.128 3.488 1.00 0.00 N ATOM 2122 CA TYR A 134 -5.795 10.307 2.402 1.00 0.00 C ATOM 2123 C TYR A 134 -7.048 10.939 2.987 1.00 0.00 C ATOM 2124 O TYR A 134 -7.197 11.054 4.188 1.00 0.00 O ATOM 2125 CB TYR A 134 -6.219 8.965 1.830 1.00 0.00 C ATOM 2126 CG TYR A 134 -5.118 8.354 1.017 1.00 0.00 C ATOM 2127 CD1 TYR A 134 -3.996 7.829 1.655 1.00 0.00 C ATOM 2128 CD2 TYR A 134 -5.232 8.291 -0.374 1.00 0.00 C ATOM 2129 CE1 TYR A 134 -2.982 7.241 0.906 1.00 0.00 C ATOM 2130 CE2 TYR A 134 -4.217 7.705 -1.129 1.00 0.00 C ATOM 2131 CZ TYR A 134 -3.087 7.177 -0.491 1.00 0.00 C ATOM 2132 OH TYR A 134 -2.082 6.593 -1.234 1.00 0.00 O ATOM 0 H TYR A 134 -5.175 9.731 4.350 1.00 0.00 H new ATOM 0 HA TYR A 134 -5.341 10.923 1.626 1.00 0.00 H new ATOM 0 HB2 TYR A 134 -6.494 8.291 2.641 1.00 0.00 H new ATOM 0 HB3 TYR A 134 -7.105 9.094 1.209 1.00 0.00 H new ATOM 0 HD1 TYR A 134 -3.914 7.879 2.731 1.00 0.00 H new ATOM 0 HD2 TYR A 134 -6.105 8.696 -0.864 1.00 0.00 H new ATOM 0 HE1 TYR A 134 -2.113 6.833 1.401 1.00 0.00 H new ATOM 0 HE2 TYR A 134 -4.302 7.658 -2.205 1.00 0.00 H new ATOM 0 HH TYR A 134 -1.932 7.116 -2.049 1.00 0.00 H new ATOM 2142 N VAL A 135 -7.971 11.289 2.145 1.00 0.00 N ATOM 2143 CA VAL A 135 -9.256 11.847 2.617 1.00 0.00 C ATOM 2144 C VAL A 135 -10.330 11.314 1.688 1.00 0.00 C ATOM 2145 O VAL A 135 -10.024 10.857 0.612 1.00 0.00 O ATOM 2146 CB VAL A 135 -9.230 13.357 2.574 1.00 0.00 C ATOM 2147 CG1 VAL A 135 -10.550 13.887 3.110 1.00 0.00 C ATOM 2148 CG2 VAL A 135 -8.088 13.853 3.451 1.00 0.00 C ATOM 0 H VAL A 135 -7.886 11.210 1.132 1.00 0.00 H new ATOM 0 HA VAL A 135 -9.448 11.556 3.650 1.00 0.00 H new ATOM 0 HB VAL A 135 -9.085 13.704 1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -10.542 14.977 3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -11.369 13.515 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -10.687 13.550 4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -8.059 14.942 3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -8.243 13.515 4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -7.144 13.457 3.077 1.00 0.00 H new ATOM 2158 N ARG A 136 -11.567 11.342 2.076 1.00 0.00 N ATOM 2159 CA ARG A 136 -12.604 10.789 1.157 1.00 0.00 C ATOM 2160 C ARG A 136 -12.988 11.840 0.123 1.00 0.00 C ATOM 2161 O ARG A 136 -13.492 12.900 0.441 1.00 0.00 O ATOM 2162 CB ARG A 136 -13.845 10.320 1.919 1.00 0.00 C ATOM 2163 CG ARG A 136 -13.834 8.791 2.015 1.00 0.00 C ATOM 2164 CD ARG A 136 -14.411 8.351 3.362 1.00 0.00 C ATOM 2165 NE ARG A 136 -15.892 8.225 3.251 1.00 0.00 N ATOM 2166 CZ ARG A 136 -16.575 7.666 4.212 1.00 0.00 C ATOM 2167 NH1 ARG A 136 -16.156 6.553 4.751 1.00 0.00 N ATOM 2168 NH2 ARG A 136 -17.679 8.218 4.634 1.00 0.00 N ATOM 0 H ARG A 136 -11.905 11.712 2.964 1.00 0.00 H new ATOM 0 HA ARG A 136 -12.180 9.920 0.655 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -13.860 10.758 2.917 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -14.748 10.657 1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -14.419 8.362 1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -12.816 8.418 1.906 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -13.976 7.398 3.662 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -14.154 9.076 4.134 1.00 0.00 H new ATOM 0 HE ARG A 136 -16.372 8.576 2.423 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -15.294 6.119 4.421 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -16.691 6.117 5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -18.008 9.087 4.213 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -18.213 7.781 5.385 1.00 0.00 H new ATOM 2182 N GLU A 137 -12.738 11.538 -1.120 1.00 0.00 N ATOM 2183 CA GLU A 137 -13.059 12.488 -2.226 1.00 0.00 C ATOM 2184 C GLU A 137 -14.535 12.903 -2.158 1.00 0.00 C ATOM 2185 O GLU A 137 -14.853 13.972 -2.653 1.00 0.00 O ATOM 2186 CB GLU A 137 -12.787 11.809 -3.569 1.00 0.00 C ATOM 2187 CG GLU A 137 -12.705 12.868 -4.671 1.00 0.00 C ATOM 2188 CD GLU A 137 -12.926 12.207 -6.033 1.00 0.00 C ATOM 2189 OE1 GLU A 137 -12.266 11.217 -6.302 1.00 0.00 O ATOM 2190 OE2 GLU A 137 -13.751 12.702 -6.783 1.00 0.00 O ATOM 2191 OXT GLU A 137 -15.319 12.143 -1.614 1.00 0.00 O ATOM 0 H GLU A 137 -12.318 10.659 -1.423 1.00 0.00 H new ATOM 0 HA GLU A 137 -12.435 13.376 -2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -11.855 11.246 -3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -13.579 11.095 -3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -13.456 13.641 -4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -11.732 13.358 -4.647 1.00 0.00 H new TER 2198 GLU A 137