USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 759 hydrogens (29 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 73 MET CE :methyl -157:sc= 0 (180deg=-0.171) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 25 ASN : amide:sc= 0.363 X(o=0.36,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.936 K(o=0.94,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= 0.913 (180deg=0.688) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.456 K(o=0.46,f=-2.8!) USER MOD Single : A 43 GLN : amide:sc= -0.171 K(o=-0.17,f=-3.9!) USER MOD Single : A 46 MET CE :methyl 169:sc= -0.0125 (180deg=-0.149) USER MOD Single : A 48 THR OG1 : rot -60:sc= 0.353 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -113:sc= -0.166 (180deg=-0.271) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.884 K(o=0.88,f=-0.24) USER MOD Single : A 59 TYR OH : rot 13:sc= 1.25 USER MOD Single : A 61 MET CE :methyl -179:sc= -1.31 (180deg=-1.33) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 69 GLN : amide:sc= 0.511 K(o=0.51,f=-0.0035) USER MOD Single : A 71 GLN : amide:sc= 0.915 K(o=0.91,f=-0.31) USER MOD Single : A 72 HIS : no HD1:sc= -0.261 K(o=-0.26,f=-1.3) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.118 USER MOD Single : A 88 GLN : amide:sc= -0.582 K(o=-0.58,f=-1.2) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -170:sc= 0.164 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 174:sc= -0.399 (180deg=-0.428) USER MOD Single : A 104 LYS NZ :NH3+ 161:sc= 1.17 (180deg=0.885) USER MOD Single : A 105 ASN : amide:sc= 1.17 K(o=1.2,f=-1.6!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.00604 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 3.029 12.645 11.009 1.00 0.00 N ATOM 2 CA GLN A 23 4.445 12.987 10.840 1.00 0.00 C ATOM 3 C GLN A 23 5.166 12.022 9.872 1.00 0.00 C ATOM 4 O GLN A 23 4.598 11.028 9.405 1.00 0.00 O ATOM 5 CB GLN A 23 5.149 13.027 12.215 1.00 0.00 C ATOM 6 CG GLN A 23 4.535 14.056 13.184 1.00 0.00 C ATOM 7 CD GLN A 23 5.257 14.141 14.534 1.00 0.00 C ATOM 8 OE1 GLN A 23 6.245 13.469 14.813 1.00 0.00 O ATOM 9 NE2 GLN A 23 4.789 14.978 15.438 1.00 0.00 N ATOM 0 HA GLN A 23 4.497 13.978 10.389 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.101 12.037 12.669 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.204 13.260 12.069 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.549 15.039 12.712 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.490 13.800 13.357 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.969 15.547 15.230 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.247 15.056 16.346 1.00 0.00 H new ATOM 18 N ILE A 24 6.437 12.313 9.572 1.00 0.00 N ATOM 19 CA ILE A 24 7.308 11.505 8.700 1.00 0.00 C ATOM 20 C ILE A 24 7.442 10.080 9.275 1.00 0.00 C ATOM 21 O ILE A 24 7.884 9.901 10.413 1.00 0.00 O ATOM 22 CB ILE A 24 8.685 12.200 8.555 1.00 0.00 C ATOM 23 CG1 ILE A 24 8.566 13.619 7.943 1.00 0.00 C ATOM 24 CG2 ILE A 24 9.655 11.372 7.691 1.00 0.00 C ATOM 25 CD1 ILE A 24 9.673 14.554 8.443 1.00 0.00 C ATOM 0 H ILE A 24 6.905 13.142 9.939 1.00 0.00 H new ATOM 0 HA ILE A 24 6.869 11.422 7.706 1.00 0.00 H new ATOM 0 HB ILE A 24 9.080 12.283 9.568 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.613 13.550 6.856 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.593 14.042 8.194 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.609 11.893 7.614 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.811 10.397 8.152 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.232 11.239 6.695 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.551 15.537 7.989 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.610 14.645 9.527 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.646 14.146 8.169 1.00 0.00 H new ATOM 37 N ASN A 25 7.046 9.069 8.491 1.00 0.00 N ATOM 38 CA ASN A 25 7.045 7.655 8.898 1.00 0.00 C ATOM 39 C ASN A 25 8.392 6.974 8.621 1.00 0.00 C ATOM 40 O ASN A 25 9.195 6.785 9.537 1.00 0.00 O ATOM 41 CB ASN A 25 5.814 6.930 8.311 1.00 0.00 C ATOM 42 CG ASN A 25 4.611 6.965 9.246 1.00 0.00 C ATOM 43 OD1 ASN A 25 4.158 5.942 9.741 1.00 0.00 O ATOM 44 ND2 ASN A 25 4.051 8.119 9.538 1.00 0.00 N ATOM 0 H ASN A 25 6.711 9.212 7.538 1.00 0.00 H new ATOM 0 HA ASN A 25 6.940 7.593 9.981 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.544 7.391 7.361 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.075 5.893 8.099 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.250 8.152 10.169 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.417 8.981 9.133 1.00 0.00 H new ATOM 51 N GLN A 26 8.653 6.641 7.355 1.00 0.00 N ATOM 52 CA GLN A 26 9.939 6.116 6.891 1.00 0.00 C ATOM 53 C GLN A 26 10.348 6.628 5.503 1.00 0.00 C ATOM 54 O GLN A 26 9.552 6.632 4.563 1.00 0.00 O ATOM 55 CB GLN A 26 9.869 4.579 6.920 1.00 0.00 C ATOM 56 CG GLN A 26 8.745 3.941 6.071 1.00 0.00 C ATOM 57 CD GLN A 26 9.274 3.137 4.881 1.00 0.00 C ATOM 58 OE1 GLN A 26 9.435 1.924 4.933 1.00 0.00 O ATOM 59 NE2 GLN A 26 9.572 3.775 3.768 1.00 0.00 N ATOM 0 H GLN A 26 7.963 6.730 6.609 1.00 0.00 H new ATOM 0 HA GLN A 26 10.716 6.479 7.564 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.826 4.184 6.578 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.743 4.259 7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.145 3.288 6.705 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.083 4.726 5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.443 4.785 3.709 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.931 3.259 2.965 1.00 0.00 H new ATOM 68 N VAL A 27 11.615 7.032 5.377 1.00 0.00 N ATOM 69 CA VAL A 27 12.236 7.566 4.148 1.00 0.00 C ATOM 70 C VAL A 27 13.770 7.574 4.212 1.00 0.00 C ATOM 71 O VAL A 27 14.337 7.776 5.286 1.00 0.00 O ATOM 72 CB VAL A 27 11.734 9.009 3.874 1.00 0.00 C ATOM 73 CG1 VAL A 27 11.765 9.896 5.130 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.546 9.713 2.767 1.00 0.00 C ATOM 0 H VAL A 27 12.269 6.997 6.159 1.00 0.00 H new ATOM 0 HA VAL A 27 11.939 6.900 3.338 1.00 0.00 H new ATOM 0 HB VAL A 27 10.702 8.886 3.547 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.404 10.893 4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.126 9.461 5.899 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.787 9.963 5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.156 10.719 2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.593 9.772 3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.464 9.146 1.839 1.00 0.00 H new ATOM 84 N ARG A 28 14.432 7.443 3.049 1.00 0.00 N ATOM 85 CA ARG A 28 15.868 7.731 2.875 1.00 0.00 C ATOM 86 C ARG A 28 16.227 7.895 1.376 1.00 0.00 C ATOM 87 O ARG A 28 15.993 6.952 0.620 1.00 0.00 O ATOM 88 CB ARG A 28 16.734 6.632 3.543 1.00 0.00 C ATOM 89 CG ARG A 28 18.054 7.222 4.060 1.00 0.00 C ATOM 90 CD ARG A 28 17.847 8.099 5.311 1.00 0.00 C ATOM 91 NE ARG A 28 18.884 9.142 5.409 1.00 0.00 N ATOM 92 CZ ARG A 28 20.089 9.023 5.941 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.479 7.950 6.572 1.00 0.00 N ATOM 94 NH2 ARG A 28 20.939 9.998 5.835 1.00 0.00 N ATOM 0 H ARG A 28 13.979 7.130 2.191 1.00 0.00 H new ATOM 0 HA ARG A 28 16.085 8.677 3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.184 6.180 4.368 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.941 5.838 2.825 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.745 6.412 4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.517 7.817 3.273 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.862 8.564 5.273 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.870 7.474 6.204 1.00 0.00 H new ATOM 0 HE ARG A 28 18.646 10.056 5.024 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.844 7.158 6.671 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.419 7.903 6.966 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.677 10.852 5.343 1.00 0.00 H new ATOM 0 HH22 ARG A 28 21.869 9.910 6.244 1.00 0.00 H new ATOM 108 N PRO A 29 16.737 9.055 0.913 1.00 0.00 N ATOM 109 CA PRO A 29 17.017 9.326 -0.504 1.00 0.00 C ATOM 110 C PRO A 29 18.504 9.173 -0.886 1.00 0.00 C ATOM 111 O PRO A 29 19.361 8.876 -0.052 1.00 0.00 O ATOM 112 CB PRO A 29 16.522 10.766 -0.700 1.00 0.00 C ATOM 113 CG PRO A 29 16.982 11.421 0.596 1.00 0.00 C ATOM 114 CD PRO A 29 16.746 10.322 1.636 1.00 0.00 C ATOM 0 HA PRO A 29 16.520 8.605 -1.153 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.965 11.237 -1.578 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.440 10.815 -0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.030 11.716 0.550 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.408 12.320 0.821 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.531 10.330 2.392 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.801 10.478 2.156 1.00 0.00 H new ATOM 122 N LYS A 30 18.796 9.432 -2.170 1.00 0.00 N ATOM 123 CA LYS A 30 20.148 9.579 -2.743 1.00 0.00 C ATOM 124 C LYS A 30 20.420 11.063 -3.009 1.00 0.00 C ATOM 125 O LYS A 30 19.485 11.802 -3.313 1.00 0.00 O ATOM 126 CB LYS A 30 20.248 8.680 -3.990 1.00 0.00 C ATOM 127 CG LYS A 30 21.676 8.523 -4.537 1.00 0.00 C ATOM 128 CD LYS A 30 21.876 7.288 -5.431 1.00 0.00 C ATOM 129 CE LYS A 30 21.954 6.011 -4.578 1.00 0.00 C ATOM 130 NZ LYS A 30 22.138 4.786 -5.410 1.00 0.00 N ATOM 0 H LYS A 30 18.065 9.550 -2.871 1.00 0.00 H new ATOM 0 HA LYS A 30 20.927 9.249 -2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.853 7.694 -3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.613 9.093 -4.774 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.935 9.416 -5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.370 8.467 -3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.052 7.208 -6.140 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.790 7.399 -6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.781 6.097 -3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.042 5.914 -3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.485 4.009 -4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.228 4.515 -5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.829 4.979 -6.163 1.00 0.00 H new ATOM 144 N LEU A 31 21.671 11.508 -2.925 1.00 0.00 N ATOM 145 CA LEU A 31 22.043 12.940 -2.938 1.00 0.00 C ATOM 146 C LEU A 31 21.517 13.744 -4.151 1.00 0.00 C ATOM 147 O LEU A 31 20.830 14.744 -3.934 1.00 0.00 O ATOM 148 CB LEU A 31 23.568 13.042 -2.709 1.00 0.00 C ATOM 149 CG LEU A 31 24.190 14.440 -2.505 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.337 15.254 -3.793 1.00 0.00 C ATOM 151 CD2 LEU A 31 23.439 15.282 -1.472 1.00 0.00 C ATOM 0 H LEU A 31 22.474 10.884 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 31 21.526 13.440 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.813 12.439 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 31 24.063 12.580 -3.563 1.00 0.00 H new ATOM 0 HG LEU A 31 25.190 14.219 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.781 16.222 -3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 31 24.979 14.717 -4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.356 15.403 -4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.924 16.253 -1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.408 15.422 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 31 23.449 14.771 -0.509 1.00 0.00 H new ATOM 163 N PRO A 32 21.719 13.319 -5.415 1.00 0.00 N ATOM 164 CA PRO A 32 21.104 13.974 -6.579 1.00 0.00 C ATOM 165 C PRO A 32 19.570 14.016 -6.556 1.00 0.00 C ATOM 166 O PRO A 32 18.985 14.907 -7.168 1.00 0.00 O ATOM 167 CB PRO A 32 21.626 13.204 -7.802 1.00 0.00 C ATOM 168 CG PRO A 32 22.102 11.867 -7.239 1.00 0.00 C ATOM 169 CD PRO A 32 22.626 12.276 -5.870 1.00 0.00 C ATOM 0 HA PRO A 32 21.381 15.028 -6.591 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.843 13.064 -8.547 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.439 13.740 -8.291 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.292 11.142 -7.167 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.879 11.416 -7.857 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.633 11.431 -5.182 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.650 12.644 -5.933 1.00 0.00 H new ATOM 177 N LEU A 33 18.904 13.110 -5.829 1.00 0.00 N ATOM 178 CA LEU A 33 17.445 13.033 -5.754 1.00 0.00 C ATOM 179 C LEU A 33 16.924 13.951 -4.646 1.00 0.00 C ATOM 180 O LEU A 33 15.963 14.682 -4.861 1.00 0.00 O ATOM 181 CB LEU A 33 17.013 11.558 -5.603 1.00 0.00 C ATOM 182 CG LEU A 33 15.815 11.130 -6.470 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.547 11.940 -6.206 1.00 0.00 C ATOM 184 CD2 LEU A 33 16.133 11.205 -7.958 1.00 0.00 C ATOM 0 H LEU A 33 19.374 12.400 -5.268 1.00 0.00 H new ATOM 0 HA LEU A 33 16.993 13.396 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.863 10.921 -5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.767 11.374 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 33 15.626 10.096 -6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.746 11.582 -6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.251 11.823 -5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.738 12.993 -6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.260 10.894 -8.533 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.396 12.229 -8.223 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.970 10.545 -8.185 1.00 0.00 H new ATOM 196 N LEU A 34 17.620 14.002 -3.502 1.00 0.00 N ATOM 197 CA LEU A 34 17.401 15.009 -2.455 1.00 0.00 C ATOM 198 C LEU A 34 17.472 16.408 -3.097 1.00 0.00 C ATOM 199 O LEU A 34 16.609 17.242 -2.848 1.00 0.00 O ATOM 200 CB LEU A 34 18.482 14.821 -1.381 1.00 0.00 C ATOM 201 CG LEU A 34 18.471 15.750 -0.142 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.776 15.413 0.596 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.566 17.252 -0.394 1.00 0.00 C ATOM 0 H LEU A 34 18.360 13.337 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 34 16.422 14.900 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.417 13.793 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.452 14.929 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 34 17.519 15.579 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.855 16.027 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.774 14.360 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.625 15.614 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.547 17.783 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.497 17.475 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 34 17.722 17.573 -1.004 1.00 0.00 H new ATOM 215 N LYS A 35 18.437 16.648 -3.997 1.00 0.00 N ATOM 216 CA LYS A 35 18.544 17.918 -4.739 1.00 0.00 C ATOM 217 C LYS A 35 17.333 18.220 -5.629 1.00 0.00 C ATOM 218 O LYS A 35 16.909 19.374 -5.648 1.00 0.00 O ATOM 219 CB LYS A 35 19.880 17.983 -5.508 1.00 0.00 C ATOM 220 CG LYS A 35 20.984 18.616 -4.643 1.00 0.00 C ATOM 221 CD LYS A 35 20.835 20.150 -4.572 1.00 0.00 C ATOM 222 CE LYS A 35 21.631 20.787 -3.424 1.00 0.00 C ATOM 223 NZ LYS A 35 23.106 20.694 -3.622 1.00 0.00 N ATOM 0 H LYS A 35 19.164 15.972 -4.232 1.00 0.00 H new ATOM 0 HA LYS A 35 18.540 18.718 -3.998 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.180 16.979 -5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.750 18.564 -6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.944 18.198 -3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.961 18.363 -5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.163 20.584 -5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 35 19.781 20.400 -4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.347 21.835 -3.329 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.363 20.298 -2.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 23.593 21.139 -2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.385 19.694 -3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.370 21.184 -4.501 1.00 0.00 H new ATOM 237 N ILE A 36 16.708 17.224 -6.273 1.00 0.00 N ATOM 238 CA ILE A 36 15.408 17.422 -6.949 1.00 0.00 C ATOM 239 C ILE A 36 14.357 17.838 -5.914 1.00 0.00 C ATOM 240 O ILE A 36 13.587 18.765 -6.147 1.00 0.00 O ATOM 241 CB ILE A 36 14.918 16.166 -7.705 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.951 15.568 -8.678 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.631 16.484 -8.488 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.713 16.566 -9.551 1.00 0.00 C ATOM 0 H ILE A 36 17.076 16.275 -6.343 1.00 0.00 H new ATOM 0 HA ILE A 36 15.551 18.204 -7.695 1.00 0.00 H new ATOM 0 HB ILE A 36 14.738 15.418 -6.933 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.676 14.996 -8.099 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.438 14.863 -9.332 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.296 15.591 -9.016 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.854 16.808 -7.795 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.830 17.278 -9.208 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.411 16.029 -10.194 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.007 17.123 -10.167 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.265 17.258 -8.915 1.00 0.00 H new ATOM 256 N LEU A 37 14.363 17.188 -4.746 1.00 0.00 N ATOM 257 CA LEU A 37 13.393 17.405 -3.672 1.00 0.00 C ATOM 258 C LEU A 37 13.483 18.828 -3.100 1.00 0.00 C ATOM 259 O LEU A 37 12.484 19.546 -3.078 1.00 0.00 O ATOM 260 CB LEU A 37 13.435 16.232 -2.667 1.00 0.00 C ATOM 261 CG LEU A 37 13.015 14.906 -3.350 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.429 13.650 -2.591 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.509 14.817 -3.560 1.00 0.00 C ATOM 0 H LEU A 37 15.060 16.479 -4.517 1.00 0.00 H new ATOM 0 HA LEU A 37 12.376 17.379 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.441 16.133 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.770 16.441 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 37 13.545 14.937 -4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.096 12.768 -3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.514 13.627 -2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.973 13.656 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.264 13.870 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.003 14.875 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.181 15.642 -4.193 1.00 0.00 H new ATOM 275 N HIS A 38 14.684 19.304 -2.766 1.00 0.00 N ATOM 276 CA HIS A 38 14.918 20.709 -2.380 1.00 0.00 C ATOM 277 C HIS A 38 14.522 21.685 -3.502 1.00 0.00 C ATOM 278 O HIS A 38 13.829 22.667 -3.237 1.00 0.00 O ATOM 279 CB HIS A 38 16.409 20.950 -2.074 1.00 0.00 C ATOM 280 CG HIS A 38 16.822 20.666 -0.657 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.897 21.271 0.002 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.249 19.750 0.171 1.00 0.00 C ATOM 283 CE1 HIS A 38 17.958 20.689 1.211 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.985 19.770 1.329 1.00 0.00 N ATOM 0 H HIS A 38 15.527 18.730 -2.754 1.00 0.00 H new ATOM 0 HA HIS A 38 14.304 20.889 -1.498 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.006 20.329 -2.742 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.648 21.988 -2.305 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.389 19.132 -0.041 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.683 20.925 1.976 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.820 19.183 2.146 1.00 0.00 H new ATOM 292 N ALA A 39 14.930 21.427 -4.754 1.00 0.00 N ATOM 293 CA ALA A 39 14.658 22.313 -5.894 1.00 0.00 C ATOM 294 C ALA A 39 13.154 22.413 -6.224 1.00 0.00 C ATOM 295 O ALA A 39 12.676 23.465 -6.654 1.00 0.00 O ATOM 296 CB ALA A 39 15.472 21.824 -7.098 1.00 0.00 C ATOM 0 H ALA A 39 15.461 20.593 -5.004 1.00 0.00 H new ATOM 0 HA ALA A 39 14.964 23.326 -5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.281 22.472 -7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.534 21.849 -6.854 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.180 20.803 -7.344 1.00 0.00 H new ATOM 302 N ALA A 40 12.393 21.348 -5.951 1.00 0.00 N ATOM 303 CA ALA A 40 10.930 21.324 -5.994 1.00 0.00 C ATOM 304 C ALA A 40 10.238 22.127 -4.870 1.00 0.00 C ATOM 305 O ALA A 40 9.010 22.237 -4.874 1.00 0.00 O ATOM 306 CB ALA A 40 10.486 19.864 -5.927 1.00 0.00 C ATOM 0 H ALA A 40 12.794 20.449 -5.685 1.00 0.00 H new ATOM 0 HA ALA A 40 10.628 21.810 -6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.398 19.813 -5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.898 19.319 -6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.845 19.417 -5.000 1.00 0.00 H new ATOM 312 N GLY A 41 10.997 22.660 -3.905 1.00 0.00 N ATOM 313 CA GLY A 41 10.511 23.476 -2.787 1.00 0.00 C ATOM 314 C GLY A 41 10.740 22.875 -1.392 1.00 0.00 C ATOM 315 O GLY A 41 10.318 23.489 -0.407 1.00 0.00 O ATOM 0 H GLY A 41 12.008 22.529 -3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.998 24.450 -2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.443 23.648 -2.920 1.00 0.00 H new ATOM 319 N ALA A 42 11.379 21.702 -1.278 1.00 0.00 N ATOM 320 CA ALA A 42 11.612 21.040 0.007 1.00 0.00 C ATOM 321 C ALA A 42 12.813 21.604 0.808 1.00 0.00 C ATOM 322 O ALA A 42 13.371 22.668 0.531 1.00 0.00 O ATOM 323 CB ALA A 42 11.682 19.515 -0.197 1.00 0.00 C ATOM 0 H ALA A 42 11.748 21.187 -2.077 1.00 0.00 H new ATOM 0 HA ALA A 42 10.757 21.265 0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.856 19.027 0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.742 19.161 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.499 19.276 -0.878 1.00 0.00 H new ATOM 329 N GLN A 43 13.159 20.847 1.846 1.00 0.00 N ATOM 330 CA GLN A 43 14.090 21.118 2.948 1.00 0.00 C ATOM 331 C GLN A 43 14.331 19.796 3.708 1.00 0.00 C ATOM 332 O GLN A 43 13.415 18.978 3.835 1.00 0.00 O ATOM 333 CB GLN A 43 13.482 22.197 3.873 1.00 0.00 C ATOM 334 CG GLN A 43 14.171 22.443 5.232 1.00 0.00 C ATOM 335 CD GLN A 43 15.625 22.927 5.173 1.00 0.00 C ATOM 336 OE1 GLN A 43 16.355 22.743 4.208 1.00 0.00 O ATOM 337 NE2 GLN A 43 16.123 23.535 6.231 1.00 0.00 N ATOM 0 H GLN A 43 12.747 19.920 1.951 1.00 0.00 H new ATOM 0 HA GLN A 43 15.043 21.493 2.576 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.470 23.140 3.327 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.444 21.928 4.066 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.587 23.179 5.785 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.141 21.516 5.805 1.00 0.00 H new ATOM 0 HE21 GLN A 43 15.535 23.700 7.048 1.00 0.00 H new ATOM 0 HE22 GLN A 43 17.096 23.840 6.233 1.00 0.00 H new ATOM 346 N GLY A 44 15.551 19.573 4.208 1.00 0.00 N ATOM 347 CA GLY A 44 15.990 18.284 4.756 1.00 0.00 C ATOM 348 C GLY A 44 16.088 17.201 3.676 1.00 0.00 C ATOM 349 O GLY A 44 15.933 17.470 2.488 1.00 0.00 O ATOM 0 H GLY A 44 16.272 20.293 4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.961 18.406 5.235 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.292 17.962 5.529 1.00 0.00 H new ATOM 353 N GLU A 45 16.352 15.963 4.074 1.00 0.00 N ATOM 354 CA GLU A 45 16.368 14.788 3.194 1.00 0.00 C ATOM 355 C GLU A 45 15.319 13.740 3.569 1.00 0.00 C ATOM 356 O GLU A 45 15.439 12.581 3.187 1.00 0.00 O ATOM 357 CB GLU A 45 17.795 14.241 3.102 1.00 0.00 C ATOM 358 CG GLU A 45 18.283 13.579 4.398 1.00 0.00 C ATOM 359 CD GLU A 45 19.752 13.143 4.282 1.00 0.00 C ATOM 360 OE1 GLU A 45 20.663 13.998 4.404 1.00 0.00 O ATOM 361 OE2 GLU A 45 20.005 11.927 4.114 1.00 0.00 O ATOM 0 H GLU A 45 16.568 15.736 5.045 1.00 0.00 H new ATOM 0 HA GLU A 45 16.068 15.097 2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.845 13.514 2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.472 15.055 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.173 14.276 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.661 12.713 4.623 1.00 0.00 H new ATOM 368 N MET A 46 14.298 14.122 4.340 1.00 0.00 N ATOM 369 CA MET A 46 13.321 13.163 4.868 1.00 0.00 C ATOM 370 C MET A 46 11.877 13.582 4.515 1.00 0.00 C ATOM 371 O MET A 46 11.302 14.481 5.130 1.00 0.00 O ATOM 372 CB MET A 46 13.509 13.004 6.384 1.00 0.00 C ATOM 373 CG MET A 46 14.855 12.349 6.724 1.00 0.00 C ATOM 374 SD MET A 46 14.961 11.666 8.402 1.00 0.00 S ATOM 375 CE MET A 46 13.903 10.202 8.209 1.00 0.00 C ATOM 0 H MET A 46 14.125 15.089 4.613 1.00 0.00 H new ATOM 0 HA MET A 46 13.494 12.195 4.398 1.00 0.00 H new ATOM 0 HB2 MET A 46 13.449 13.981 6.863 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.698 12.400 6.790 1.00 0.00 H new ATOM 0 HG2 MET A 46 15.046 11.550 6.008 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.646 13.088 6.596 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.009 9.559 9.083 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.863 10.515 8.113 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.201 9.653 7.316 1.00 0.00 H new ATOM 385 N PHE A 47 11.300 12.902 3.521 1.00 0.00 N ATOM 386 CA PHE A 47 9.953 13.108 2.960 1.00 0.00 C ATOM 387 C PHE A 47 9.333 11.766 2.499 1.00 0.00 C ATOM 388 O PHE A 47 9.952 11.022 1.746 1.00 0.00 O ATOM 389 CB PHE A 47 10.006 14.126 1.792 1.00 0.00 C ATOM 390 CG PHE A 47 11.379 14.664 1.411 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.357 13.792 0.894 1.00 0.00 C ATOM 392 CD2 PHE A 47 11.700 16.019 1.620 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.649 14.265 0.612 1.00 0.00 C ATOM 394 CE2 PHE A 47 12.981 16.498 1.295 1.00 0.00 C ATOM 395 CZ PHE A 47 13.950 15.626 0.776 1.00 0.00 C ATOM 0 H PHE A 47 11.791 12.141 3.052 1.00 0.00 H new ATOM 0 HA PHE A 47 9.313 13.516 3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.569 13.655 0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.369 14.972 2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.112 12.756 0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.961 16.691 2.031 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.411 13.581 0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.220 17.540 1.445 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.925 16.001 0.503 1.00 0.00 H new ATOM 405 N THR A 48 8.116 11.434 2.932 1.00 0.00 N ATOM 406 CA THR A 48 7.432 10.150 2.622 1.00 0.00 C ATOM 407 C THR A 48 6.984 10.019 1.157 1.00 0.00 C ATOM 408 O THR A 48 7.120 10.958 0.380 1.00 0.00 O ATOM 409 CB THR A 48 6.232 9.918 3.563 1.00 0.00 C ATOM 410 OG1 THR A 48 5.371 11.033 3.632 1.00 0.00 O ATOM 411 CG2 THR A 48 6.697 9.510 4.961 1.00 0.00 C ATOM 0 H THR A 48 7.557 12.052 3.520 1.00 0.00 H new ATOM 0 HA THR A 48 8.183 9.377 2.787 1.00 0.00 H new ATOM 0 HB THR A 48 5.658 9.097 3.133 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.869 11.811 3.960 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.829 9.353 5.602 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.273 8.587 4.898 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.321 10.299 5.381 1.00 0.00 H new ATOM 419 N VAL A 49 6.390 8.872 0.768 1.00 0.00 N ATOM 420 CA VAL A 49 5.867 8.601 -0.606 1.00 0.00 C ATOM 421 C VAL A 49 5.012 9.766 -1.119 1.00 0.00 C ATOM 422 O VAL A 49 5.194 10.267 -2.230 1.00 0.00 O ATOM 423 CB VAL A 49 4.958 7.337 -0.666 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.085 6.641 -2.024 1.00 0.00 C ATOM 425 CG2 VAL A 49 5.131 6.323 0.474 1.00 0.00 C ATOM 0 H VAL A 49 6.253 8.087 1.405 1.00 0.00 H new ATOM 0 HA VAL A 49 6.756 8.455 -1.220 1.00 0.00 H new ATOM 0 HB VAL A 49 3.950 7.730 -0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.442 5.761 -2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.784 7.328 -2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.120 6.337 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.447 5.488 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.157 5.955 0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.912 6.806 1.427 1.00 0.00 H new ATOM 435 N LYS A 50 4.120 10.220 -0.232 1.00 0.00 N ATOM 436 CA LYS A 50 3.154 11.309 -0.426 1.00 0.00 C ATOM 437 C LYS A 50 3.852 12.619 -0.786 1.00 0.00 C ATOM 438 O LYS A 50 3.430 13.332 -1.692 1.00 0.00 O ATOM 439 CB LYS A 50 2.363 11.489 0.883 1.00 0.00 C ATOM 440 CG LYS A 50 1.539 10.253 1.292 1.00 0.00 C ATOM 441 CD LYS A 50 0.863 10.423 2.663 1.00 0.00 C ATOM 442 CE LYS A 50 1.880 10.480 3.819 1.00 0.00 C ATOM 443 NZ LYS A 50 1.200 10.583 5.140 1.00 0.00 N ATOM 0 H LYS A 50 4.048 9.811 0.700 1.00 0.00 H new ATOM 0 HA LYS A 50 2.490 11.051 -1.251 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.059 11.731 1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.692 12.341 0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.777 10.062 0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.190 9.379 1.317 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.269 11.337 2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.174 9.595 2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.505 9.587 3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.541 11.336 3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.913 10.619 5.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.623 11.448 5.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.588 9.754 5.281 1.00 0.00 H new ATOM 457 N GLU A 51 4.950 12.903 -0.088 1.00 0.00 N ATOM 458 CA GLU A 51 5.749 14.120 -0.250 1.00 0.00 C ATOM 459 C GLU A 51 6.650 14.027 -1.488 1.00 0.00 C ATOM 460 O GLU A 51 6.654 14.937 -2.311 1.00 0.00 O ATOM 461 CB GLU A 51 6.578 14.356 1.023 1.00 0.00 C ATOM 462 CG GLU A 51 5.697 14.557 2.267 1.00 0.00 C ATOM 463 CD GLU A 51 6.537 14.602 3.555 1.00 0.00 C ATOM 464 OE1 GLU A 51 6.996 15.702 3.948 1.00 0.00 O ATOM 465 OE2 GLU A 51 6.730 13.529 4.179 1.00 0.00 O ATOM 0 H GLU A 51 5.320 12.276 0.626 1.00 0.00 H new ATOM 0 HA GLU A 51 5.081 14.968 -0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.241 13.506 1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.211 15.232 0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.132 15.484 2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.971 13.747 2.334 1.00 0.00 H new ATOM 472 N VAL A 52 7.358 12.908 -1.675 1.00 0.00 N ATOM 473 CA VAL A 52 8.259 12.674 -2.818 1.00 0.00 C ATOM 474 C VAL A 52 7.516 12.785 -4.146 1.00 0.00 C ATOM 475 O VAL A 52 7.961 13.519 -5.027 1.00 0.00 O ATOM 476 CB VAL A 52 8.969 11.310 -2.677 1.00 0.00 C ATOM 477 CG1 VAL A 52 9.658 10.822 -3.958 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.042 11.415 -1.590 1.00 0.00 C ATOM 0 H VAL A 52 7.323 12.122 -1.026 1.00 0.00 H new ATOM 0 HA VAL A 52 9.022 13.453 -2.814 1.00 0.00 H new ATOM 0 HB VAL A 52 8.187 10.592 -2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.132 9.858 -3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.918 10.716 -4.751 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.415 11.545 -4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.548 10.455 -1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.768 12.179 -1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.575 11.685 -0.643 1.00 0.00 H new ATOM 488 N MET A 53 6.365 12.121 -4.295 1.00 0.00 N ATOM 489 CA MET A 53 5.610 12.190 -5.553 1.00 0.00 C ATOM 490 C MET A 53 4.985 13.575 -5.770 1.00 0.00 C ATOM 491 O MET A 53 5.016 14.077 -6.891 1.00 0.00 O ATOM 492 CB MET A 53 4.557 11.072 -5.612 1.00 0.00 C ATOM 493 CG MET A 53 5.188 9.672 -5.590 1.00 0.00 C ATOM 494 SD MET A 53 6.463 9.320 -6.840 1.00 0.00 S ATOM 495 CE MET A 53 5.500 9.407 -8.374 1.00 0.00 C ATOM 0 H MET A 53 5.940 11.538 -3.574 1.00 0.00 H new ATOM 0 HA MET A 53 6.311 12.035 -6.373 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.875 11.174 -4.768 1.00 0.00 H new ATOM 0 HB3 MET A 53 3.961 11.185 -6.518 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.627 9.514 -4.605 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.390 8.939 -5.705 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.447 8.417 -8.827 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.492 9.758 -8.152 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.981 10.098 -9.067 1.00 0.00 H new ATOM 505 N HIS A 54 4.514 14.242 -4.709 1.00 0.00 N ATOM 506 CA HIS A 54 4.061 15.644 -4.765 1.00 0.00 C ATOM 507 C HIS A 54 5.161 16.570 -5.287 1.00 0.00 C ATOM 508 O HIS A 54 4.956 17.254 -6.289 1.00 0.00 O ATOM 509 CB HIS A 54 3.565 16.085 -3.381 1.00 0.00 C ATOM 510 CG HIS A 54 3.252 17.557 -3.290 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.155 18.195 -3.877 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.018 18.487 -2.647 1.00 0.00 C ATOM 513 CE1 HIS A 54 2.285 19.498 -3.570 1.00 0.00 C ATOM 514 NE2 HIS A 54 3.388 19.698 -2.827 1.00 0.00 N ATOM 0 H HIS A 54 4.435 13.825 -3.781 1.00 0.00 H new ATOM 0 HA HIS A 54 3.233 15.713 -5.470 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.671 15.516 -3.127 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.322 15.837 -2.637 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.935 18.308 -2.105 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.600 20.274 -3.877 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.704 20.595 -2.459 1.00 0.00 H new ATOM 522 N TYR A 55 6.345 16.530 -4.675 1.00 0.00 N ATOM 523 CA TYR A 55 7.519 17.282 -5.115 1.00 0.00 C ATOM 524 C TYR A 55 7.934 16.947 -6.556 1.00 0.00 C ATOM 525 O TYR A 55 8.252 17.866 -7.302 1.00 0.00 O ATOM 526 CB TYR A 55 8.678 17.090 -4.126 1.00 0.00 C ATOM 527 CG TYR A 55 8.528 17.849 -2.813 1.00 0.00 C ATOM 528 CD1 TYR A 55 8.327 19.245 -2.817 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.607 17.164 -1.584 1.00 0.00 C ATOM 530 CE1 TYR A 55 8.167 19.944 -1.604 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.445 17.857 -0.368 1.00 0.00 C ATOM 532 CZ TYR A 55 8.218 19.251 -0.376 1.00 0.00 C ATOM 533 OH TYR A 55 8.064 19.936 0.792 1.00 0.00 O ATOM 0 H TYR A 55 6.517 15.963 -3.844 1.00 0.00 H new ATOM 0 HA TYR A 55 7.246 18.337 -5.124 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.777 16.027 -3.906 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.604 17.404 -4.607 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.296 19.781 -3.754 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.793 16.100 -1.574 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.005 21.012 -1.614 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.494 17.323 0.569 1.00 0.00 H new ATOM 0 HH TYR A 55 8.124 19.314 1.547 1.00 0.00 H new ATOM 543 N LEU A 56 7.868 15.687 -6.999 1.00 0.00 N ATOM 544 CA LEU A 56 8.193 15.304 -8.381 1.00 0.00 C ATOM 545 C LEU A 56 7.202 15.909 -9.391 1.00 0.00 C ATOM 546 O LEU A 56 7.608 16.589 -10.336 1.00 0.00 O ATOM 547 CB LEU A 56 8.230 13.766 -8.476 1.00 0.00 C ATOM 548 CG LEU A 56 9.505 13.148 -7.875 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.303 11.659 -7.615 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.693 13.288 -8.823 1.00 0.00 C ATOM 0 H LEU A 56 7.588 14.902 -6.411 1.00 0.00 H new ATOM 0 HA LEU A 56 9.173 15.705 -8.640 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.360 13.356 -7.963 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.151 13.472 -9.523 1.00 0.00 H new ATOM 0 HG LEU A 56 9.707 13.682 -6.946 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.214 11.237 -7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.478 11.520 -6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.072 11.154 -8.553 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.577 12.841 -8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.472 12.779 -9.761 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.880 14.344 -9.018 1.00 0.00 H new ATOM 562 N GLY A 57 5.901 15.722 -9.160 1.00 0.00 N ATOM 563 CA GLY A 57 4.849 16.270 -10.016 1.00 0.00 C ATOM 564 C GLY A 57 4.884 17.799 -10.066 1.00 0.00 C ATOM 565 O GLY A 57 4.921 18.395 -11.149 1.00 0.00 O ATOM 0 H GLY A 57 5.547 15.183 -8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.960 15.872 -11.025 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.876 15.942 -9.649 1.00 0.00 H new ATOM 569 N GLN A 58 4.991 18.450 -8.899 1.00 0.00 N ATOM 570 CA GLN A 58 5.065 19.907 -8.852 1.00 0.00 C ATOM 571 C GLN A 58 6.386 20.449 -9.417 1.00 0.00 C ATOM 572 O GLN A 58 6.350 21.489 -10.056 1.00 0.00 O ATOM 573 CB GLN A 58 4.638 20.491 -7.491 1.00 0.00 C ATOM 574 CG GLN A 58 5.683 20.562 -6.367 1.00 0.00 C ATOM 575 CD GLN A 58 5.262 21.528 -5.251 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.093 21.815 -5.023 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.190 22.091 -4.506 1.00 0.00 N ATOM 0 H GLN A 58 5.027 17.992 -7.988 1.00 0.00 H new ATOM 0 HA GLN A 58 4.308 20.286 -9.539 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.268 21.501 -7.665 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.797 19.902 -7.126 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.833 19.567 -5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.640 20.881 -6.781 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.174 21.875 -4.667 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.925 22.743 -3.767 1.00 0.00 H new ATOM 586 N TYR A 59 7.522 19.745 -9.303 1.00 0.00 N ATOM 587 CA TYR A 59 8.770 20.098 -10.004 1.00 0.00 C ATOM 588 C TYR A 59 8.580 20.082 -11.521 1.00 0.00 C ATOM 589 O TYR A 59 8.941 21.052 -12.186 1.00 0.00 O ATOM 590 CB TYR A 59 9.894 19.135 -9.600 1.00 0.00 C ATOM 591 CG TYR A 59 11.238 19.322 -10.289 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.480 18.708 -11.534 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.269 20.050 -9.660 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.738 18.832 -12.154 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.533 20.167 -10.274 1.00 0.00 C ATOM 596 CZ TYR A 59 13.770 19.562 -11.529 1.00 0.00 C ATOM 597 OH TYR A 59 14.984 19.681 -12.131 1.00 0.00 O ATOM 0 H TYR A 59 7.603 18.912 -8.721 1.00 0.00 H new ATOM 0 HA TYR A 59 9.045 21.111 -9.711 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.048 19.225 -8.525 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.554 18.117 -9.790 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.697 18.140 -12.015 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.090 20.520 -8.704 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.913 18.366 -13.112 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.321 20.720 -9.784 1.00 0.00 H new ATOM 0 HH TYR A 59 14.917 19.388 -13.064 1.00 0.00 H new ATOM 607 N ILE A 60 7.955 19.031 -12.070 1.00 0.00 N ATOM 608 CA ILE A 60 7.664 18.947 -13.511 1.00 0.00 C ATOM 609 C ILE A 60 6.791 20.143 -13.946 1.00 0.00 C ATOM 610 O ILE A 60 7.141 20.845 -14.902 1.00 0.00 O ATOM 611 CB ILE A 60 7.067 17.556 -13.852 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.113 16.440 -13.598 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.595 17.444 -15.314 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.503 15.035 -13.510 1.00 0.00 C ATOM 0 H ILE A 60 7.639 18.222 -11.535 1.00 0.00 H new ATOM 0 HA ILE A 60 8.582 19.026 -14.093 1.00 0.00 H new ATOM 0 HB ILE A 60 6.201 17.436 -13.201 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.852 16.457 -14.399 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.644 16.655 -12.671 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.188 16.448 -15.490 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.824 18.190 -15.506 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.439 17.614 -15.983 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.293 14.306 -13.331 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.785 15.001 -12.690 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.996 14.799 -14.446 1.00 0.00 H new ATOM 626 N MET A 61 5.728 20.461 -13.197 1.00 0.00 N ATOM 627 CA MET A 61 4.886 21.643 -13.463 1.00 0.00 C ATOM 628 C MET A 61 5.613 22.992 -13.279 1.00 0.00 C ATOM 629 O MET A 61 5.376 23.912 -14.062 1.00 0.00 O ATOM 630 CB MET A 61 3.617 21.605 -12.593 1.00 0.00 C ATOM 631 CG MET A 61 2.435 20.871 -13.243 1.00 0.00 C ATOM 632 SD MET A 61 2.621 19.088 -13.522 1.00 0.00 S ATOM 633 CE MET A 61 3.203 19.050 -15.237 1.00 0.00 C ATOM 0 H MET A 61 5.425 19.912 -12.393 1.00 0.00 H new ATOM 0 HA MET A 61 4.621 21.584 -14.519 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.854 21.123 -11.645 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.315 22.627 -12.364 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.556 21.025 -12.618 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.230 21.344 -14.203 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.343 18.016 -15.551 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.466 19.528 -15.882 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.151 19.583 -15.312 1.00 0.00 H new ATOM 643 N VAL A 62 6.506 23.132 -12.291 1.00 0.00 N ATOM 644 CA VAL A 62 7.202 24.385 -11.956 1.00 0.00 C ATOM 645 C VAL A 62 8.315 24.695 -12.952 1.00 0.00 C ATOM 646 O VAL A 62 8.452 25.835 -13.399 1.00 0.00 O ATOM 647 CB VAL A 62 7.720 24.282 -10.504 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.911 25.170 -10.161 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.586 24.603 -9.526 1.00 0.00 C ATOM 0 H VAL A 62 6.773 22.356 -11.685 1.00 0.00 H new ATOM 0 HA VAL A 62 6.508 25.223 -12.025 1.00 0.00 H new ATOM 0 HB VAL A 62 8.072 23.255 -10.413 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.190 25.017 -9.119 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.753 24.914 -10.804 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.642 26.215 -10.315 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.956 24.529 -8.503 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.223 25.615 -9.709 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.771 23.894 -9.669 1.00 0.00 H new ATOM 659 N LYS A 63 9.078 23.669 -13.340 1.00 0.00 N ATOM 660 CA LYS A 63 10.124 23.760 -14.366 1.00 0.00 C ATOM 661 C LYS A 63 9.558 23.669 -15.796 1.00 0.00 C ATOM 662 O LYS A 63 10.252 24.064 -16.731 1.00 0.00 O ATOM 663 CB LYS A 63 11.210 22.705 -14.077 1.00 0.00 C ATOM 664 CG LYS A 63 11.890 22.813 -12.697 1.00 0.00 C ATOM 665 CD LYS A 63 12.577 24.156 -12.394 1.00 0.00 C ATOM 666 CE LYS A 63 13.699 24.477 -13.393 1.00 0.00 C ATOM 667 NZ LYS A 63 14.394 25.749 -13.051 1.00 0.00 N ATOM 0 H LYS A 63 8.985 22.734 -12.943 1.00 0.00 H new ATOM 0 HA LYS A 63 10.584 24.747 -14.315 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.763 21.715 -14.166 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.977 22.778 -14.848 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.140 22.628 -11.928 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.633 22.020 -12.616 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.835 24.954 -12.416 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.988 24.131 -11.385 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.420 23.660 -13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.282 24.549 -14.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.145 25.933 -13.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.710 26.533 -13.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.813 25.671 -12.102 1.00 0.00 H new ATOM 681 N GLN A 64 8.307 23.211 -15.969 1.00 0.00 N ATOM 682 CA GLN A 64 7.591 23.125 -17.258 1.00 0.00 C ATOM 683 C GLN A 64 8.161 22.041 -18.187 1.00 0.00 C ATOM 684 O GLN A 64 8.444 22.251 -19.367 1.00 0.00 O ATOM 685 CB GLN A 64 7.377 24.504 -17.915 1.00 0.00 C ATOM 686 CG GLN A 64 6.752 25.505 -16.932 1.00 0.00 C ATOM 687 CD GLN A 64 6.408 26.861 -17.553 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.635 27.142 -18.725 1.00 0.00 O ATOM 689 NE2 GLN A 64 5.843 27.770 -16.784 1.00 0.00 N ATOM 0 H GLN A 64 7.743 22.877 -15.187 1.00 0.00 H new ATOM 0 HA GLN A 64 6.582 22.777 -17.036 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.332 24.890 -18.271 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.731 24.397 -18.786 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.845 25.069 -16.514 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.442 25.662 -16.103 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.645 27.559 -15.806 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.604 28.685 -17.167 1.00 0.00 H new ATOM 698 N LEU A 65 8.312 20.849 -17.606 1.00 0.00 N ATOM 699 CA LEU A 65 8.873 19.632 -18.202 1.00 0.00 C ATOM 700 C LEU A 65 7.771 18.755 -18.822 1.00 0.00 C ATOM 701 O LEU A 65 7.772 17.542 -18.655 1.00 0.00 O ATOM 702 CB LEU A 65 9.673 18.912 -17.095 1.00 0.00 C ATOM 703 CG LEU A 65 11.113 19.392 -16.831 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.396 20.866 -17.080 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.474 19.057 -15.386 1.00 0.00 C ATOM 0 H LEU A 65 8.026 20.697 -16.639 1.00 0.00 H new ATOM 0 HA LEU A 65 9.540 19.869 -19.030 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.113 19.000 -16.164 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.712 17.852 -17.344 1.00 0.00 H new ATOM 0 HG LEU A 65 11.727 18.868 -17.564 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.442 21.078 -16.858 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.190 21.105 -18.123 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.759 21.473 -16.437 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.491 19.389 -15.179 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.783 19.562 -14.712 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.406 17.980 -15.234 1.00 0.00 H new ATOM 717 N TYR A 66 6.781 19.345 -19.486 1.00 0.00 N ATOM 718 CA TYR A 66 5.631 18.622 -20.050 1.00 0.00 C ATOM 719 C TYR A 66 5.070 19.306 -21.317 1.00 0.00 C ATOM 720 O TYR A 66 5.425 20.449 -21.621 1.00 0.00 O ATOM 721 CB TYR A 66 4.545 18.500 -18.963 1.00 0.00 C ATOM 722 CG TYR A 66 3.871 19.807 -18.568 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.509 20.717 -17.698 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.588 20.106 -19.063 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.869 21.921 -17.335 1.00 0.00 C ATOM 726 CE2 TYR A 66 1.947 21.308 -18.708 1.00 0.00 C ATOM 727 CZ TYR A 66 2.586 22.220 -17.844 1.00 0.00 C ATOM 728 OH TYR A 66 1.954 23.379 -17.503 1.00 0.00 O ATOM 0 H TYR A 66 6.749 20.351 -19.653 1.00 0.00 H new ATOM 0 HA TYR A 66 5.962 17.631 -20.361 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.780 17.807 -19.313 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.993 18.058 -18.073 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.491 20.491 -17.309 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.091 19.408 -19.720 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.360 22.614 -16.668 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.965 21.531 -19.098 1.00 0.00 H new ATOM 0 HH TYR A 66 1.081 23.418 -17.947 1.00 0.00 H new ATOM 738 N ASP A 67 4.188 18.626 -22.060 1.00 0.00 N ATOM 739 CA ASP A 67 3.503 19.191 -23.237 1.00 0.00 C ATOM 740 C ASP A 67 2.157 19.847 -22.873 1.00 0.00 C ATOM 741 O ASP A 67 1.375 19.289 -22.103 1.00 0.00 O ATOM 742 CB ASP A 67 3.291 18.109 -24.300 1.00 0.00 C ATOM 743 CG ASP A 67 2.742 18.713 -25.599 1.00 0.00 C ATOM 744 OD1 ASP A 67 1.503 18.858 -25.708 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.549 19.086 -26.484 1.00 0.00 O ATOM 0 H ASP A 67 3.925 17.660 -21.862 1.00 0.00 H new ATOM 0 HA ASP A 67 4.148 19.973 -23.638 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.235 17.602 -24.501 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.599 17.356 -23.924 1.00 0.00 H new ATOM 750 N GLN A 68 1.845 21.011 -23.455 1.00 0.00 N ATOM 751 CA GLN A 68 0.644 21.778 -23.113 1.00 0.00 C ATOM 752 C GLN A 68 -0.693 21.147 -23.552 1.00 0.00 C ATOM 753 O GLN A 68 -1.732 21.479 -22.977 1.00 0.00 O ATOM 754 CB GLN A 68 0.807 23.215 -23.637 1.00 0.00 C ATOM 755 CG GLN A 68 0.710 23.341 -25.171 1.00 0.00 C ATOM 756 CD GLN A 68 0.919 24.769 -25.688 1.00 0.00 C ATOM 757 OE1 GLN A 68 1.117 25.730 -24.952 1.00 0.00 O ATOM 758 NE2 GLN A 68 0.883 24.970 -26.990 1.00 0.00 N ATOM 0 H GLN A 68 2.419 21.447 -24.177 1.00 0.00 H new ATOM 0 HA GLN A 68 0.570 21.776 -22.026 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.042 23.845 -23.182 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.773 23.601 -23.312 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.453 22.687 -25.628 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.269 22.987 -25.494 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.720 24.187 -27.623 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.018 25.909 -27.365 1.00 0.00 H new ATOM 767 N GLN A 69 -0.682 20.232 -24.528 1.00 0.00 N ATOM 768 CA GLN A 69 -1.849 19.460 -24.976 1.00 0.00 C ATOM 769 C GLN A 69 -1.789 18.002 -24.485 1.00 0.00 C ATOM 770 O GLN A 69 -2.830 17.413 -24.187 1.00 0.00 O ATOM 771 CB GLN A 69 -1.941 19.555 -26.511 1.00 0.00 C ATOM 772 CG GLN A 69 -3.123 18.802 -27.149 1.00 0.00 C ATOM 773 CD GLN A 69 -4.494 19.293 -26.679 1.00 0.00 C ATOM 774 OE1 GLN A 69 -5.116 20.160 -27.279 1.00 0.00 O ATOM 775 NE2 GLN A 69 -5.019 18.766 -25.591 1.00 0.00 N ATOM 0 H GLN A 69 0.166 20.000 -25.045 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.755 19.881 -24.540 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.009 20.607 -26.790 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.014 19.171 -26.938 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.063 18.903 -28.233 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.030 17.740 -26.922 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.513 18.043 -25.080 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.931 19.082 -25.260 1.00 0.00 H new ATOM 784 N GLU A 70 -0.590 17.433 -24.343 1.00 0.00 N ATOM 785 CA GLU A 70 -0.352 16.093 -23.786 1.00 0.00 C ATOM 786 C GLU A 70 0.175 16.214 -22.348 1.00 0.00 C ATOM 787 O GLU A 70 1.305 15.844 -22.037 1.00 0.00 O ATOM 788 CB GLU A 70 0.529 15.249 -24.729 1.00 0.00 C ATOM 789 CG GLU A 70 -0.184 14.954 -26.055 1.00 0.00 C ATOM 790 CD GLU A 70 0.636 13.978 -26.920 1.00 0.00 C ATOM 791 OE1 GLU A 70 1.481 14.433 -27.730 1.00 0.00 O ATOM 792 OE2 GLU A 70 0.426 12.744 -26.814 1.00 0.00 O ATOM 0 H GLU A 70 0.271 17.904 -24.620 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.290 15.541 -23.718 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.462 15.777 -24.927 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.792 14.311 -24.240 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.168 14.530 -25.856 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.342 15.884 -26.601 1.00 0.00 H new ATOM 799 N GLN A 71 -0.655 16.765 -21.453 1.00 0.00 N ATOM 800 CA GLN A 71 -0.258 17.106 -20.075 1.00 0.00 C ATOM 801 C GLN A 71 0.009 15.866 -19.194 1.00 0.00 C ATOM 802 O GLN A 71 0.658 15.963 -18.152 1.00 0.00 O ATOM 803 CB GLN A 71 -1.316 18.031 -19.447 1.00 0.00 C ATOM 804 CG GLN A 71 -1.476 19.355 -20.220 1.00 0.00 C ATOM 805 CD GLN A 71 -2.505 20.313 -19.615 1.00 0.00 C ATOM 806 OE1 GLN A 71 -3.003 20.153 -18.507 1.00 0.00 O ATOM 807 NE2 GLN A 71 -2.866 21.360 -20.329 1.00 0.00 N ATOM 0 H GLN A 71 -1.628 16.989 -21.663 1.00 0.00 H new ATOM 0 HA GLN A 71 0.695 17.633 -20.128 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.275 17.513 -19.417 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.038 18.248 -18.415 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.509 19.857 -20.263 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.764 19.131 -21.247 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.463 21.510 -21.254 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.549 22.020 -19.957 1.00 0.00 H new ATOM 816 N HIS A 72 -0.459 14.691 -19.633 1.00 0.00 N ATOM 817 CA HIS A 72 -0.143 13.368 -19.075 1.00 0.00 C ATOM 818 C HIS A 72 1.240 12.833 -19.502 1.00 0.00 C ATOM 819 O HIS A 72 1.711 11.838 -18.943 1.00 0.00 O ATOM 820 CB HIS A 72 -1.269 12.392 -19.466 1.00 0.00 C ATOM 821 CG HIS A 72 -1.624 12.325 -20.937 1.00 0.00 C ATOM 822 ND1 HIS A 72 -0.813 12.701 -22.015 1.00 0.00 N ATOM 823 CD2 HIS A 72 -2.814 11.873 -21.427 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.530 12.453 -23.125 1.00 0.00 C ATOM 825 NE2 HIS A 72 -2.738 11.963 -22.800 1.00 0.00 N ATOM 0 H HIS A 72 -1.099 14.633 -20.425 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.084 13.464 -17.991 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.983 11.393 -19.138 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.166 12.666 -18.911 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -3.654 11.514 -20.850 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.184 12.623 -24.134 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.473 11.702 -23.457 1.00 0.00 H new ATOM 833 N MET A 73 1.896 13.491 -20.463 1.00 0.00 N ATOM 834 CA MET A 73 3.209 13.164 -21.017 1.00 0.00 C ATOM 835 C MET A 73 4.276 14.150 -20.510 1.00 0.00 C ATOM 836 O MET A 73 4.066 15.365 -20.478 1.00 0.00 O ATOM 837 CB MET A 73 3.118 13.168 -22.554 1.00 0.00 C ATOM 838 CG MET A 73 4.334 12.563 -23.225 1.00 0.00 C ATOM 839 SD MET A 73 4.426 10.775 -23.033 1.00 0.00 S ATOM 840 CE MET A 73 6.165 10.678 -23.442 1.00 0.00 C ATOM 0 H MET A 73 1.496 14.320 -20.902 1.00 0.00 H new ATOM 0 HA MET A 73 3.511 12.171 -20.685 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.230 12.616 -22.860 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.992 14.193 -22.901 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.316 12.809 -24.287 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.234 13.015 -22.809 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.400 9.674 -23.795 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.396 11.401 -24.225 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.760 10.900 -22.556 1.00 0.00 H new ATOM 850 N VAL A 74 5.440 13.628 -20.125 1.00 0.00 N ATOM 851 CA VAL A 74 6.553 14.378 -19.535 1.00 0.00 C ATOM 852 C VAL A 74 7.673 14.501 -20.567 1.00 0.00 C ATOM 853 O VAL A 74 7.984 13.550 -21.283 1.00 0.00 O ATOM 854 CB VAL A 74 7.015 13.714 -18.219 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.179 14.464 -17.566 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.861 13.676 -17.207 1.00 0.00 C ATOM 0 H VAL A 74 5.643 12.633 -20.218 1.00 0.00 H new ATOM 0 HA VAL A 74 6.233 15.386 -19.270 1.00 0.00 H new ATOM 0 HB VAL A 74 7.341 12.708 -18.482 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.467 13.958 -16.645 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.028 14.484 -18.249 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.872 15.485 -17.339 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.201 13.205 -16.285 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.529 14.692 -16.995 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.032 13.103 -17.622 1.00 0.00 H new ATOM 866 N TYR A 75 8.272 15.687 -20.626 1.00 0.00 N ATOM 867 CA TYR A 75 9.295 16.129 -21.570 1.00 0.00 C ATOM 868 C TYR A 75 10.412 16.884 -20.836 1.00 0.00 C ATOM 869 O TYR A 75 10.577 18.100 -20.924 1.00 0.00 O ATOM 870 CB TYR A 75 8.645 16.937 -22.701 1.00 0.00 C ATOM 871 CG TYR A 75 7.966 16.027 -23.700 1.00 0.00 C ATOM 872 CD1 TYR A 75 8.759 15.135 -24.446 1.00 0.00 C ATOM 873 CD2 TYR A 75 6.566 16.017 -23.840 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.157 14.228 -25.333 1.00 0.00 C ATOM 875 CE2 TYR A 75 5.961 15.127 -24.748 1.00 0.00 C ATOM 876 CZ TYR A 75 6.753 14.227 -25.495 1.00 0.00 C ATOM 877 OH TYR A 75 6.158 13.361 -26.363 1.00 0.00 O ATOM 0 H TYR A 75 8.036 16.424 -19.961 1.00 0.00 H new ATOM 0 HA TYR A 75 9.772 15.267 -22.036 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.916 17.632 -22.283 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.403 17.536 -23.206 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.833 15.148 -24.336 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.958 16.689 -23.253 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.766 13.532 -25.891 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.888 15.132 -24.874 1.00 0.00 H new ATOM 0 HH TYR A 75 5.188 13.497 -26.347 1.00 0.00 H new ATOM 887 N CYS A 76 11.205 16.104 -20.109 1.00 0.00 N ATOM 888 CA CYS A 76 12.478 16.483 -19.470 1.00 0.00 C ATOM 889 C CYS A 76 13.654 16.543 -20.480 1.00 0.00 C ATOM 890 O CYS A 76 14.778 16.170 -20.138 1.00 0.00 O ATOM 891 CB CYS A 76 12.768 15.503 -18.314 1.00 0.00 C ATOM 892 SG CYS A 76 11.574 15.666 -16.959 1.00 0.00 S ATOM 0 H CYS A 76 10.969 15.127 -19.934 1.00 0.00 H new ATOM 0 HA CYS A 76 12.381 17.493 -19.073 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.747 14.481 -18.693 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.774 15.681 -17.933 1.00 0.00 H new ATOM 0 HG CYS A 76 11.866 14.817 -16.019 1.00 0.00 H new ATOM 898 N GLY A 77 13.407 17.015 -21.711 1.00 0.00 N ATOM 899 CA GLY A 77 14.300 16.956 -22.887 1.00 0.00 C ATOM 900 C GLY A 77 15.771 17.338 -22.671 1.00 0.00 C ATOM 901 O GLY A 77 16.655 16.743 -23.293 1.00 0.00 O ATOM 0 H GLY A 77 12.525 17.478 -21.930 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.269 15.941 -23.284 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.890 17.611 -23.656 1.00 0.00 H new ATOM 905 N GLY A 78 16.039 18.284 -21.767 1.00 0.00 N ATOM 906 CA GLY A 78 17.385 18.662 -21.321 1.00 0.00 C ATOM 907 C GLY A 78 17.499 18.874 -19.806 1.00 0.00 C ATOM 908 O GLY A 78 18.387 19.608 -19.368 1.00 0.00 O ATOM 0 H GLY A 78 15.304 18.825 -21.311 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.089 17.887 -21.624 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.682 19.579 -21.830 1.00 0.00 H new ATOM 912 N ASP A 79 16.594 18.297 -19.002 1.00 0.00 N ATOM 913 CA ASP A 79 16.553 18.552 -17.552 1.00 0.00 C ATOM 914 C ASP A 79 17.394 17.562 -16.737 1.00 0.00 C ATOM 915 O ASP A 79 17.474 16.373 -17.061 1.00 0.00 O ATOM 916 CB ASP A 79 15.114 18.599 -17.021 1.00 0.00 C ATOM 917 CG ASP A 79 15.090 19.329 -15.666 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.112 20.582 -15.664 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.115 18.648 -14.614 1.00 0.00 O ATOM 0 H ASP A 79 15.878 17.649 -19.331 1.00 0.00 H new ATOM 0 HA ASP A 79 17.004 19.535 -17.418 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.469 19.112 -17.734 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.724 17.588 -16.908 1.00 0.00 H new ATOM 924 N LEU A 80 17.950 18.046 -15.621 1.00 0.00 N ATOM 925 CA LEU A 80 18.692 17.239 -14.654 1.00 0.00 C ATOM 926 C LEU A 80 17.853 16.060 -14.134 1.00 0.00 C ATOM 927 O LEU A 80 18.395 14.967 -14.008 1.00 0.00 O ATOM 928 CB LEU A 80 19.211 18.175 -13.543 1.00 0.00 C ATOM 929 CG LEU A 80 20.347 17.581 -12.684 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.209 18.708 -12.109 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.846 16.765 -11.491 1.00 0.00 C ATOM 0 H LEU A 80 17.894 19.031 -15.362 1.00 0.00 H new ATOM 0 HA LEU A 80 19.552 16.769 -15.130 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.564 19.100 -14.000 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.379 18.439 -12.890 1.00 0.00 H new ATOM 0 HG LEU A 80 20.906 16.925 -13.352 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.009 18.282 -11.504 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.641 19.288 -12.925 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.592 19.358 -11.489 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.698 16.378 -10.932 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.245 17.401 -10.842 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.238 15.934 -11.848 1.00 0.00 H new ATOM 943 N LEU A 81 16.536 16.221 -13.937 1.00 0.00 N ATOM 944 CA LEU A 81 15.637 15.112 -13.591 1.00 0.00 C ATOM 945 C LEU A 81 15.609 14.032 -14.687 1.00 0.00 C ATOM 946 O LEU A 81 15.747 12.854 -14.370 1.00 0.00 O ATOM 947 CB LEU A 81 14.230 15.668 -13.290 1.00 0.00 C ATOM 948 CG LEU A 81 13.143 14.606 -13.016 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.483 13.685 -11.843 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.812 15.289 -12.702 1.00 0.00 C ATOM 0 H LEU A 81 16.066 17.123 -14.013 1.00 0.00 H new ATOM 0 HA LEU A 81 16.016 14.620 -12.695 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.296 16.328 -12.425 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.912 16.280 -14.134 1.00 0.00 H new ATOM 0 HG LEU A 81 13.080 14.000 -13.920 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.679 12.962 -11.703 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.413 13.157 -12.053 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.599 14.279 -10.936 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.051 14.532 -12.510 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.926 15.921 -11.821 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.508 15.902 -13.551 1.00 0.00 H new ATOM 962 N GLY A 82 15.479 14.404 -15.966 1.00 0.00 N ATOM 963 CA GLY A 82 15.472 13.444 -17.082 1.00 0.00 C ATOM 964 C GLY A 82 16.794 12.678 -17.212 1.00 0.00 C ATOM 965 O GLY A 82 16.814 11.451 -17.321 1.00 0.00 O ATOM 0 H GLY A 82 15.376 15.376 -16.258 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.658 12.734 -16.940 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.272 13.976 -18.012 1.00 0.00 H new ATOM 969 N GLU A 83 17.913 13.398 -17.130 1.00 0.00 N ATOM 970 CA GLU A 83 19.274 12.833 -17.142 1.00 0.00 C ATOM 971 C GLU A 83 19.502 11.862 -15.974 1.00 0.00 C ATOM 972 O GLU A 83 19.986 10.744 -16.164 1.00 0.00 O ATOM 973 CB GLU A 83 20.286 13.979 -17.029 1.00 0.00 C ATOM 974 CG GLU A 83 20.230 14.973 -18.191 1.00 0.00 C ATOM 975 CD GLU A 83 21.231 14.608 -19.302 1.00 0.00 C ATOM 976 OE1 GLU A 83 20.940 13.684 -20.100 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.315 15.237 -19.386 1.00 0.00 O ATOM 0 H GLU A 83 17.904 14.415 -17.051 1.00 0.00 H new ATOM 0 HA GLU A 83 19.401 12.281 -18.074 1.00 0.00 H new ATOM 0 HB2 GLU A 83 20.110 14.515 -16.096 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.290 13.559 -16.971 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.221 14.995 -18.603 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.445 15.976 -17.822 1.00 0.00 H new ATOM 984 N LEU A 84 19.108 12.286 -14.771 1.00 0.00 N ATOM 985 CA LEU A 84 19.210 11.506 -13.532 1.00 0.00 C ATOM 986 C LEU A 84 18.307 10.258 -13.528 1.00 0.00 C ATOM 987 O LEU A 84 18.729 9.203 -13.049 1.00 0.00 O ATOM 988 CB LEU A 84 18.890 12.446 -12.356 1.00 0.00 C ATOM 989 CG LEU A 84 19.026 11.853 -10.944 1.00 0.00 C ATOM 990 CD1 LEU A 84 20.449 11.381 -10.649 1.00 0.00 C ATOM 991 CD2 LEU A 84 18.589 12.919 -9.941 1.00 0.00 C ATOM 0 H LEU A 84 18.697 13.208 -14.626 1.00 0.00 H new ATOM 0 HA LEU A 84 20.224 11.116 -13.441 1.00 0.00 H new ATOM 0 HB2 LEU A 84 19.546 13.314 -12.426 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.869 12.807 -12.477 1.00 0.00 H new ATOM 0 HG LEU A 84 18.391 10.970 -10.866 1.00 0.00 H new ATOM 0 HD11 LEU A 84 20.494 10.970 -9.640 1.00 0.00 H new ATOM 0 HD12 LEU A 84 20.733 10.612 -11.367 1.00 0.00 H new ATOM 0 HD13 LEU A 84 21.136 12.224 -10.729 1.00 0.00 H new ATOM 0 HD21 LEU A 84 18.676 12.524 -8.929 1.00 0.00 H new ATOM 0 HD22 LEU A 84 19.226 13.798 -10.043 1.00 0.00 H new ATOM 0 HD23 LEU A 84 17.553 13.197 -10.134 1.00 0.00 H new ATOM 1003 N LEU A 85 17.094 10.352 -14.089 1.00 0.00 N ATOM 1004 CA LEU A 85 16.174 9.214 -14.218 1.00 0.00 C ATOM 1005 C LEU A 85 16.555 8.268 -15.367 1.00 0.00 C ATOM 1006 O LEU A 85 16.230 7.082 -15.335 1.00 0.00 O ATOM 1007 CB LEU A 85 14.715 9.717 -14.250 1.00 0.00 C ATOM 1008 CG LEU A 85 14.024 9.984 -15.596 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.259 8.743 -16.058 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.970 11.082 -15.448 1.00 0.00 C ATOM 0 H LEU A 85 16.722 11.223 -14.468 1.00 0.00 H new ATOM 0 HA LEU A 85 16.266 8.584 -13.333 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.109 8.987 -13.713 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.679 10.644 -13.678 1.00 0.00 H new ATOM 0 HG LEU A 85 14.804 10.266 -16.303 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.775 8.948 -17.013 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.953 7.910 -16.174 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.503 8.484 -15.316 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.491 11.258 -16.411 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.220 10.771 -14.721 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.447 12.001 -15.107 1.00 0.00 H new ATOM 1022 N GLY A 86 17.278 8.788 -16.362 1.00 0.00 N ATOM 1023 CA GLY A 86 17.774 8.037 -17.519 1.00 0.00 C ATOM 1024 C GLY A 86 16.783 7.962 -18.686 1.00 0.00 C ATOM 1025 O GLY A 86 17.046 7.257 -19.662 1.00 0.00 O ATOM 0 H GLY A 86 17.543 9.773 -16.386 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.698 8.498 -17.869 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.023 7.024 -17.202 1.00 0.00 H new ATOM 1029 N ARG A 87 15.660 8.694 -18.604 1.00 0.00 N ATOM 1030 CA ARG A 87 14.687 8.883 -19.696 1.00 0.00 C ATOM 1031 C ARG A 87 14.272 10.353 -19.744 1.00 0.00 C ATOM 1032 O ARG A 87 13.772 10.891 -18.761 1.00 0.00 O ATOM 1033 CB ARG A 87 13.463 7.953 -19.500 1.00 0.00 C ATOM 1034 CG ARG A 87 13.127 7.080 -20.718 1.00 0.00 C ATOM 1035 CD ARG A 87 14.060 5.868 -20.835 1.00 0.00 C ATOM 1036 NE ARG A 87 13.692 5.022 -21.988 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.350 3.967 -22.438 1.00 0.00 C ATOM 1038 NH1 ARG A 87 15.449 3.544 -21.877 1.00 0.00 N ATOM 1039 NH2 ARG A 87 13.911 3.308 -23.472 1.00 0.00 N ATOM 0 H ARG A 87 15.395 9.186 -17.751 1.00 0.00 H new ATOM 0 HA ARG A 87 15.145 8.617 -20.649 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.648 7.305 -18.644 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.594 8.564 -19.255 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.095 6.737 -20.644 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.198 7.681 -21.625 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.090 6.207 -20.943 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.013 5.279 -19.919 1.00 0.00 H new ATOM 0 HE ARG A 87 12.842 5.278 -22.490 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.827 4.031 -21.064 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.931 2.726 -22.251 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.055 3.605 -23.940 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.424 2.495 -23.814 1.00 0.00 H new ATOM 1053 N GLN A 88 14.449 11.006 -20.890 1.00 0.00 N ATOM 1054 CA GLN A 88 14.081 12.418 -21.077 1.00 0.00 C ATOM 1055 C GLN A 88 12.576 12.596 -21.363 1.00 0.00 C ATOM 1056 O GLN A 88 12.071 13.716 -21.330 1.00 0.00 O ATOM 1057 CB GLN A 88 14.977 13.062 -22.153 1.00 0.00 C ATOM 1058 CG GLN A 88 16.444 13.256 -21.713 1.00 0.00 C ATOM 1059 CD GLN A 88 17.217 11.949 -21.517 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.076 10.981 -22.255 1.00 0.00 O ATOM 1061 NE2 GLN A 88 18.034 11.848 -20.492 1.00 0.00 N ATOM 0 H GLN A 88 14.853 10.574 -21.721 1.00 0.00 H new ATOM 0 HA GLN A 88 14.260 12.946 -20.140 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.956 12.441 -23.048 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.559 14.031 -22.427 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.959 13.861 -22.459 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.461 13.819 -20.780 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.166 12.642 -19.865 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.536 10.976 -20.324 1.00 0.00 H new ATOM 1070 N SER A 89 11.838 11.503 -21.581 1.00 0.00 N ATOM 1071 CA SER A 89 10.373 11.483 -21.675 1.00 0.00 C ATOM 1072 C SER A 89 9.780 10.169 -21.145 1.00 0.00 C ATOM 1073 O SER A 89 10.368 9.092 -21.278 1.00 0.00 O ATOM 1074 CB SER A 89 9.924 11.761 -23.118 1.00 0.00 C ATOM 1075 OG SER A 89 10.406 10.771 -24.017 1.00 0.00 O ATOM 0 H SER A 89 12.255 10.580 -21.701 1.00 0.00 H new ATOM 0 HA SER A 89 9.988 12.279 -21.037 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.835 11.793 -23.161 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.284 12.742 -23.429 1.00 0.00 H new ATOM 0 HG SER A 89 10.101 10.977 -24.925 1.00 0.00 H new ATOM 1081 N PHE A 90 8.618 10.281 -20.502 1.00 0.00 N ATOM 1082 CA PHE A 90 7.788 9.199 -19.950 1.00 0.00 C ATOM 1083 C PHE A 90 6.354 9.734 -19.768 1.00 0.00 C ATOM 1084 O PHE A 90 6.107 10.912 -20.029 1.00 0.00 O ATOM 1085 CB PHE A 90 8.385 8.688 -18.620 1.00 0.00 C ATOM 1086 CG PHE A 90 8.423 9.696 -17.484 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.514 10.578 -17.355 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.371 9.748 -16.549 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.541 11.521 -16.312 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.397 10.691 -15.507 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.478 11.582 -15.393 1.00 0.00 C ATOM 0 H PHE A 90 8.197 11.196 -20.339 1.00 0.00 H new ATOM 0 HA PHE A 90 7.765 8.349 -20.632 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.809 7.822 -18.294 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.401 8.342 -18.808 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.332 10.530 -18.059 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.542 9.061 -16.633 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.377 12.198 -16.217 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.587 10.731 -14.794 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.492 12.314 -14.599 1.00 0.00 H new ATOM 1101 N SER A 91 5.398 8.919 -19.321 1.00 0.00 N ATOM 1102 CA SER A 91 4.020 9.362 -19.068 1.00 0.00 C ATOM 1103 C SER A 91 3.491 8.910 -17.706 1.00 0.00 C ATOM 1104 O SER A 91 4.030 7.995 -17.083 1.00 0.00 O ATOM 1105 CB SER A 91 3.114 8.858 -20.189 1.00 0.00 C ATOM 1106 OG SER A 91 2.902 7.465 -20.059 1.00 0.00 O ATOM 0 H SER A 91 5.554 7.931 -19.123 1.00 0.00 H new ATOM 0 HA SER A 91 4.022 10.452 -19.049 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.159 9.383 -20.158 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.566 9.075 -21.157 1.00 0.00 H new ATOM 0 HG SER A 91 2.455 7.126 -20.862 1.00 0.00 H new ATOM 1112 N VAL A 92 2.383 9.507 -17.258 1.00 0.00 N ATOM 1113 CA VAL A 92 1.682 9.082 -16.032 1.00 0.00 C ATOM 1114 C VAL A 92 1.037 7.687 -16.163 1.00 0.00 C ATOM 1115 O VAL A 92 0.791 7.023 -15.154 1.00 0.00 O ATOM 1116 CB VAL A 92 0.671 10.166 -15.611 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.639 10.114 -16.402 1.00 0.00 C ATOM 1118 CG2 VAL A 92 0.377 10.093 -14.114 1.00 0.00 C ATOM 0 H VAL A 92 1.943 10.297 -17.730 1.00 0.00 H new ATOM 0 HA VAL A 92 2.421 8.974 -15.238 1.00 0.00 H new ATOM 0 HB VAL A 92 1.147 11.119 -15.842 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.305 10.904 -16.055 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.430 10.255 -17.462 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.116 9.145 -16.252 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.339 10.870 -13.846 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.040 9.115 -13.872 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.300 10.242 -13.554 1.00 0.00 H new ATOM 1128 N LYS A 93 0.806 7.216 -17.402 1.00 0.00 N ATOM 1129 CA LYS A 93 0.295 5.868 -17.724 1.00 0.00 C ATOM 1130 C LYS A 93 1.398 4.819 -17.952 1.00 0.00 C ATOM 1131 O LYS A 93 1.115 3.622 -17.907 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.712 5.943 -18.888 1.00 0.00 C ATOM 1133 CG LYS A 93 -0.106 6.451 -20.205 1.00 0.00 C ATOM 1134 CD LYS A 93 -1.137 6.439 -21.344 1.00 0.00 C ATOM 1135 CE LYS A 93 -0.589 7.052 -22.643 1.00 0.00 C ATOM 1136 NZ LYS A 93 0.477 6.219 -23.270 1.00 0.00 N ATOM 0 H LYS A 93 0.975 7.780 -18.235 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.232 5.508 -16.841 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.136 4.952 -19.053 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.535 6.598 -18.602 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.271 7.464 -20.066 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.746 5.828 -20.478 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.450 5.413 -21.535 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.024 6.990 -21.032 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.407 7.181 -23.352 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.191 8.044 -22.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.810 6.679 -24.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.272 6.116 -22.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.094 5.280 -23.499 1.00 0.00 H new ATOM 1150 N ASP A 94 2.649 5.250 -18.139 1.00 0.00 N ATOM 1151 CA ASP A 94 3.845 4.400 -18.189 1.00 0.00 C ATOM 1152 C ASP A 94 5.013 5.010 -17.372 1.00 0.00 C ATOM 1153 O ASP A 94 6.024 5.440 -17.940 1.00 0.00 O ATOM 1154 CB ASP A 94 4.213 4.112 -19.655 1.00 0.00 C ATOM 1155 CG ASP A 94 5.383 3.117 -19.793 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.612 2.297 -18.870 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.060 3.128 -20.850 1.00 0.00 O ATOM 0 H ASP A 94 2.866 6.239 -18.265 1.00 0.00 H new ATOM 0 HA ASP A 94 3.628 3.444 -17.712 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.340 3.714 -20.172 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.477 5.047 -20.149 1.00 0.00 H new ATOM 1162 N PRO A 95 4.899 5.051 -16.026 1.00 0.00 N ATOM 1163 CA PRO A 95 5.924 5.570 -15.110 1.00 0.00 C ATOM 1164 C PRO A 95 7.075 4.572 -14.853 1.00 0.00 C ATOM 1165 O PRO A 95 7.789 4.691 -13.858 1.00 0.00 O ATOM 1166 CB PRO A 95 5.145 5.930 -13.837 1.00 0.00 C ATOM 1167 CG PRO A 95 4.074 4.842 -13.794 1.00 0.00 C ATOM 1168 CD PRO A 95 3.714 4.670 -15.265 1.00 0.00 C ATOM 0 HA PRO A 95 6.443 6.432 -15.530 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.781 5.910 -12.952 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.710 6.928 -13.895 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.453 3.917 -13.359 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.213 5.145 -13.199 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.431 3.639 -15.478 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.863 5.296 -15.532 1.00 0.00 H new ATOM 1176 N SER A 96 7.277 3.573 -15.721 1.00 0.00 N ATOM 1177 CA SER A 96 8.277 2.507 -15.548 1.00 0.00 C ATOM 1178 C SER A 96 9.709 3.022 -15.286 1.00 0.00 C ATOM 1179 O SER A 96 10.269 2.662 -14.244 1.00 0.00 O ATOM 1180 CB SER A 96 8.228 1.542 -16.740 1.00 0.00 C ATOM 1181 OG SER A 96 9.149 0.477 -16.561 1.00 0.00 O ATOM 0 H SER A 96 6.739 3.479 -16.583 1.00 0.00 H new ATOM 0 HA SER A 96 8.006 1.969 -14.639 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.220 1.143 -16.850 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.460 2.080 -17.659 1.00 0.00 H new ATOM 0 HG SER A 96 9.102 -0.129 -17.330 1.00 0.00 H new ATOM 1187 N PRO A 97 10.306 3.918 -16.110 1.00 0.00 N ATOM 1188 CA PRO A 97 11.649 4.450 -15.836 1.00 0.00 C ATOM 1189 C PRO A 97 11.696 5.358 -14.590 1.00 0.00 C ATOM 1190 O PRO A 97 12.755 5.532 -13.986 1.00 0.00 O ATOM 1191 CB PRO A 97 12.047 5.212 -17.100 1.00 0.00 C ATOM 1192 CG PRO A 97 10.710 5.673 -17.674 1.00 0.00 C ATOM 1193 CD PRO A 97 9.795 4.492 -17.354 1.00 0.00 C ATOM 0 HA PRO A 97 12.343 3.641 -15.607 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.698 6.056 -16.872 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.586 4.574 -17.800 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.363 6.595 -17.207 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.771 5.862 -18.746 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.761 4.818 -17.239 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.809 3.757 -18.159 1.00 0.00 H new ATOM 1201 N LEU A 98 10.552 5.918 -14.179 1.00 0.00 N ATOM 1202 CA LEU A 98 10.422 6.792 -13.012 1.00 0.00 C ATOM 1203 C LEU A 98 10.544 5.967 -11.717 1.00 0.00 C ATOM 1204 O LEU A 98 11.443 6.205 -10.906 1.00 0.00 O ATOM 1205 CB LEU A 98 9.091 7.572 -13.160 1.00 0.00 C ATOM 1206 CG LEU A 98 8.917 8.874 -12.366 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.884 8.649 -10.859 1.00 0.00 C ATOM 1208 CD2 LEU A 98 9.999 9.895 -12.705 1.00 0.00 C ATOM 0 H LEU A 98 9.667 5.770 -14.665 1.00 0.00 H new ATOM 0 HA LEU A 98 11.226 7.525 -12.951 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.959 7.807 -14.216 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.280 6.901 -12.879 1.00 0.00 H new ATOM 0 HG LEU A 98 7.947 9.270 -12.668 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.759 9.605 -10.351 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.051 7.993 -10.607 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.818 8.188 -10.539 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.839 10.802 -12.122 1.00 0.00 H new ATOM 0 HD22 LEU A 98 10.978 9.479 -12.469 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.953 10.134 -13.767 1.00 0.00 H new ATOM 1220 N TYR A 99 9.725 4.921 -11.564 1.00 0.00 N ATOM 1221 CA TYR A 99 9.855 3.979 -10.444 1.00 0.00 C ATOM 1222 C TYR A 99 11.200 3.247 -10.447 1.00 0.00 C ATOM 1223 O TYR A 99 11.778 3.039 -9.382 1.00 0.00 O ATOM 1224 CB TYR A 99 8.710 2.961 -10.459 1.00 0.00 C ATOM 1225 CG TYR A 99 7.394 3.522 -9.952 1.00 0.00 C ATOM 1226 CD1 TYR A 99 7.259 3.860 -8.589 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.309 3.706 -10.830 1.00 0.00 C ATOM 1228 CE1 TYR A 99 6.045 4.383 -8.106 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.089 4.221 -10.347 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.954 4.561 -8.983 1.00 0.00 C ATOM 1231 OH TYR A 99 3.773 5.046 -8.506 1.00 0.00 O ATOM 0 H TYR A 99 8.961 4.704 -12.204 1.00 0.00 H new ATOM 0 HA TYR A 99 9.805 4.571 -9.530 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.572 2.596 -11.477 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.989 2.103 -9.848 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.090 3.717 -7.914 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.412 3.452 -11.875 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.948 4.648 -7.064 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.256 4.356 -11.021 1.00 0.00 H new ATOM 0 HH TYR A 99 3.125 5.109 -9.239 1.00 0.00 H new ATOM 1241 N ASP A 100 11.734 2.909 -11.623 1.00 0.00 N ATOM 1242 CA ASP A 100 13.051 2.282 -11.752 1.00 0.00 C ATOM 1243 C ASP A 100 14.174 3.174 -11.217 1.00 0.00 C ATOM 1244 O ASP A 100 15.032 2.695 -10.473 1.00 0.00 O ATOM 1245 CB ASP A 100 13.298 1.949 -13.226 1.00 0.00 C ATOM 1246 CG ASP A 100 14.579 1.133 -13.442 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.656 -0.022 -12.962 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.520 1.642 -14.098 1.00 0.00 O ATOM 0 H ASP A 100 11.264 3.063 -12.515 1.00 0.00 H new ATOM 0 HA ASP A 100 13.056 1.373 -11.151 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.447 1.391 -13.616 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.361 2.875 -13.798 1.00 0.00 H new ATOM 1253 N MET A 101 14.139 4.479 -11.519 1.00 0.00 N ATOM 1254 CA MET A 101 15.071 5.421 -10.887 1.00 0.00 C ATOM 1255 C MET A 101 14.845 5.526 -9.376 1.00 0.00 C ATOM 1256 O MET A 101 15.817 5.502 -8.625 1.00 0.00 O ATOM 1257 CB MET A 101 15.118 6.799 -11.577 1.00 0.00 C ATOM 1258 CG MET A 101 14.076 7.850 -11.162 1.00 0.00 C ATOM 1259 SD MET A 101 14.776 9.505 -10.951 1.00 0.00 S ATOM 1260 CE MET A 101 13.313 10.318 -10.277 1.00 0.00 C ATOM 0 H MET A 101 13.489 4.900 -12.183 1.00 0.00 H new ATOM 0 HA MET A 101 16.065 4.997 -11.031 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.107 7.224 -11.407 1.00 0.00 H new ATOM 0 HB3 MET A 101 15.021 6.638 -12.651 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.289 7.889 -11.915 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.608 7.539 -10.228 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.568 11.334 -9.976 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.532 10.349 -11.037 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.955 9.762 -9.411 1.00 0.00 H new ATOM 1270 N LEU A 102 13.597 5.600 -8.897 1.00 0.00 N ATOM 1271 CA LEU A 102 13.311 5.802 -7.473 1.00 0.00 C ATOM 1272 C LEU A 102 13.831 4.618 -6.655 1.00 0.00 C ATOM 1273 O LEU A 102 14.637 4.831 -5.755 1.00 0.00 O ATOM 1274 CB LEU A 102 11.807 6.060 -7.252 1.00 0.00 C ATOM 1275 CG LEU A 102 11.291 7.417 -7.771 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.770 7.472 -7.635 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.865 8.615 -7.012 1.00 0.00 C ATOM 0 H LEU A 102 12.764 5.522 -9.481 1.00 0.00 H new ATOM 0 HA LEU A 102 13.837 6.690 -7.123 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.243 5.265 -7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.596 5.993 -6.185 1.00 0.00 H new ATOM 0 HG LEU A 102 11.613 7.486 -8.810 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.406 8.432 -8.002 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.323 6.667 -8.219 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.494 7.356 -6.587 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.460 9.537 -7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.593 8.543 -5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.951 8.620 -7.107 1.00 0.00 H new ATOM 1289 N ARG A 103 13.512 3.384 -7.062 1.00 0.00 N ATOM 1290 CA ARG A 103 13.976 2.127 -6.437 1.00 0.00 C ATOM 1291 C ARG A 103 15.507 1.953 -6.436 1.00 0.00 C ATOM 1292 O ARG A 103 16.018 1.168 -5.636 1.00 0.00 O ATOM 1293 CB ARG A 103 13.301 0.947 -7.160 1.00 0.00 C ATOM 1294 CG ARG A 103 11.794 0.859 -6.858 1.00 0.00 C ATOM 1295 CD ARG A 103 11.108 -0.123 -7.814 1.00 0.00 C ATOM 1296 NE ARG A 103 9.649 -0.175 -7.582 1.00 0.00 N ATOM 1297 CZ ARG A 103 8.759 -0.835 -8.305 1.00 0.00 C ATOM 1298 NH1 ARG A 103 9.099 -1.552 -9.339 1.00 0.00 N ATOM 1299 NH2 ARG A 103 7.494 -0.786 -7.999 1.00 0.00 N ATOM 0 H ARG A 103 12.902 3.221 -7.863 1.00 0.00 H new ATOM 0 HA ARG A 103 13.691 2.161 -5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.448 1.051 -8.235 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.784 0.017 -6.861 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.642 0.537 -5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.340 1.845 -6.954 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.303 0.174 -8.844 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.534 -1.118 -7.683 1.00 0.00 H new ATOM 0 HE ARG A 103 9.292 0.351 -6.784 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.079 -1.618 -9.614 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.385 -2.047 -9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.184 -0.236 -7.198 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.813 -1.297 -8.561 1.00 0.00 H new ATOM 1313 N LYS A 104 16.241 2.685 -7.293 1.00 0.00 N ATOM 1314 CA LYS A 104 17.724 2.710 -7.340 1.00 0.00 C ATOM 1315 C LYS A 104 18.356 3.962 -6.716 1.00 0.00 C ATOM 1316 O LYS A 104 19.579 4.033 -6.583 1.00 0.00 O ATOM 1317 CB LYS A 104 18.200 2.463 -8.784 1.00 0.00 C ATOM 1318 CG LYS A 104 17.982 0.991 -9.174 1.00 0.00 C ATOM 1319 CD LYS A 104 18.497 0.652 -10.580 1.00 0.00 C ATOM 1320 CE LYS A 104 17.607 1.298 -11.645 1.00 0.00 C ATOM 1321 NZ LYS A 104 17.961 0.860 -13.020 1.00 0.00 N ATOM 0 H LYS A 104 15.814 3.293 -7.992 1.00 0.00 H new ATOM 0 HA LYS A 104 18.078 1.898 -6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.656 3.112 -9.470 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.256 2.718 -8.875 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.483 0.352 -8.447 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.918 0.762 -9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 104 19.523 1.003 -10.693 1.00 0.00 H new ATOM 0 HD3 LYS A 104 18.513 -0.429 -10.717 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.565 1.049 -11.444 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.694 2.382 -11.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.164 1.050 -13.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.800 1.382 -13.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.167 -0.159 -13.017 1.00 0.00 H new ATOM 1335 N ASN A 105 17.548 4.938 -6.294 1.00 0.00 N ATOM 1336 CA ASN A 105 18.003 6.119 -5.551 1.00 0.00 C ATOM 1337 C ASN A 105 17.591 5.992 -4.076 1.00 0.00 C ATOM 1338 O ASN A 105 18.415 5.811 -3.183 1.00 0.00 O ATOM 1339 CB ASN A 105 17.413 7.372 -6.236 1.00 0.00 C ATOM 1340 CG ASN A 105 18.223 7.838 -7.434 1.00 0.00 C ATOM 1341 OD1 ASN A 105 19.068 8.712 -7.344 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.979 7.261 -8.580 1.00 0.00 N ATOM 0 H ASN A 105 16.542 4.931 -6.461 1.00 0.00 H new ATOM 0 HA ASN A 105 19.090 6.205 -5.563 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.394 7.157 -6.557 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.354 8.182 -5.509 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.498 7.540 -9.412 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.269 6.531 -8.643 1.00 0.00 H new ATOM 1349 N LEU A 106 16.287 6.085 -3.851 1.00 0.00 N ATOM 1350 CA LEU A 106 15.622 6.032 -2.550 1.00 0.00 C ATOM 1351 C LEU A 106 15.448 4.590 -2.043 1.00 0.00 C ATOM 1352 O LEU A 106 15.372 3.639 -2.827 1.00 0.00 O ATOM 1353 CB LEU A 106 14.216 6.663 -2.685 1.00 0.00 C ATOM 1354 CG LEU A 106 14.094 8.193 -2.786 1.00 0.00 C ATOM 1355 CD1 LEU A 106 14.932 8.845 -3.878 1.00 0.00 C ATOM 1356 CD2 LEU A 106 12.641 8.545 -3.068 1.00 0.00 C ATOM 0 H LEU A 106 15.623 6.207 -4.616 1.00 0.00 H new ATOM 0 HA LEU A 106 16.245 6.574 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.747 6.236 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.627 6.341 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 106 14.464 8.574 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.773 9.923 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 106 15.987 8.631 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.637 8.448 -4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.537 9.627 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.331 8.085 -4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.013 8.175 -2.257 1.00 0.00 H new ATOM 1368 N VAL A 107 15.336 4.436 -0.719 1.00 0.00 N ATOM 1369 CA VAL A 107 14.875 3.169 -0.119 1.00 0.00 C ATOM 1370 C VAL A 107 13.375 3.028 -0.410 1.00 0.00 C ATOM 1371 O VAL A 107 12.695 4.012 -0.712 1.00 0.00 O ATOM 1372 CB VAL A 107 15.143 3.048 1.395 1.00 0.00 C ATOM 1373 CG1 VAL A 107 16.648 3.067 1.677 1.00 0.00 C ATOM 1374 CG2 VAL A 107 14.443 4.125 2.227 1.00 0.00 C ATOM 0 H VAL A 107 15.556 5.166 -0.041 1.00 0.00 H new ATOM 0 HA VAL A 107 15.451 2.362 -0.571 1.00 0.00 H new ATOM 0 HB VAL A 107 14.720 2.091 1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 107 16.818 2.981 2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 107 17.125 2.231 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 107 17.074 4.003 1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 107 14.676 3.979 3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 107 14.789 5.110 1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 107 13.365 4.055 2.080 1.00 0.00 H new ATOM 1384 N THR A 108 12.843 1.813 -0.325 1.00 0.00 N ATOM 1385 CA THR A 108 11.467 1.502 -0.735 1.00 0.00 C ATOM 1386 C THR A 108 10.421 2.392 -0.036 1.00 0.00 C ATOM 1387 O THR A 108 10.337 2.433 1.196 1.00 0.00 O ATOM 1388 CB THR A 108 11.180 0.017 -0.472 1.00 0.00 C ATOM 1389 OG1 THR A 108 12.229 -0.779 -0.998 1.00 0.00 O ATOM 1390 CG2 THR A 108 9.893 -0.431 -1.168 1.00 0.00 C ATOM 0 H THR A 108 13.354 1.006 0.033 1.00 0.00 H new ATOM 0 HA THR A 108 11.383 1.712 -1.801 1.00 0.00 H new ATOM 0 HB THR A 108 11.087 -0.105 0.607 1.00 0.00 H new ATOM 0 HG1 THR A 108 12.040 -1.725 -0.825 1.00 0.00 H new ATOM 0 HG21 THR A 108 9.717 -1.487 -0.963 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.054 0.156 -0.794 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.990 -0.282 -2.243 1.00 0.00 H new ATOM 1398 N LEU A 109 9.610 3.099 -0.835 1.00 0.00 N ATOM 1399 CA LEU A 109 8.491 3.944 -0.396 1.00 0.00 C ATOM 1400 C LEU A 109 7.159 3.332 -0.870 1.00 0.00 C ATOM 1401 O LEU A 109 6.932 3.191 -2.073 1.00 0.00 O ATOM 1402 CB LEU A 109 8.676 5.387 -0.932 1.00 0.00 C ATOM 1403 CG LEU A 109 9.809 6.233 -0.328 1.00 0.00 C ATOM 1404 CD1 LEU A 109 9.688 7.680 -0.803 1.00 0.00 C ATOM 1405 CD2 LEU A 109 9.794 6.259 1.199 1.00 0.00 C ATOM 0 H LEU A 109 9.721 3.097 -1.849 1.00 0.00 H new ATOM 0 HA LEU A 109 8.472 3.992 0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.839 5.327 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.739 5.924 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 109 10.737 5.768 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.494 8.273 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.756 7.713 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.728 8.088 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.619 6.873 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.850 6.679 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.903 5.244 1.581 1.00 0.00 H new ATOM 1417 N ALA A 110 6.280 2.983 0.075 1.00 0.00 N ATOM 1418 CA ALA A 110 4.949 2.419 -0.181 1.00 0.00 C ATOM 1419 C ALA A 110 3.937 2.791 0.921 1.00 0.00 C ATOM 1420 O ALA A 110 4.314 3.065 2.064 1.00 0.00 O ATOM 1421 CB ALA A 110 5.077 0.896 -0.330 1.00 0.00 C ATOM 0 H ALA A 110 6.480 3.088 1.070 1.00 0.00 H new ATOM 0 HA ALA A 110 4.560 2.846 -1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.094 0.465 -0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 110 5.742 0.666 -1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.486 0.474 0.588 1.00 0.00 H new ATOM 1427 N THR A 111 2.648 2.825 0.565 1.00 0.00 N ATOM 1428 CA THR A 111 1.543 3.249 1.448 1.00 0.00 C ATOM 1429 C THR A 111 0.197 2.614 1.077 1.00 0.00 C ATOM 1430 O THR A 111 0.009 2.105 -0.038 1.00 0.00 O ATOM 1431 CB THR A 111 1.428 4.783 1.467 1.00 0.00 C ATOM 1432 OG1 THR A 111 0.432 5.164 2.395 1.00 0.00 O ATOM 1433 CG2 THR A 111 1.087 5.417 0.113 1.00 0.00 C ATOM 0 H THR A 111 2.331 2.553 -0.366 1.00 0.00 H new ATOM 0 HA THR A 111 1.789 2.891 2.448 1.00 0.00 H new ATOM 0 HB THR A 111 2.417 5.148 1.744 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.357 6.141 2.411 1.00 0.00 H new ATOM 0 HG21 THR A 111 1.027 6.500 0.223 1.00 0.00 H new ATOM 0 HG22 THR A 111 1.863 5.169 -0.611 1.00 0.00 H new ATOM 0 HG23 THR A 111 0.128 5.034 -0.237 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48L A 200 -0.814 12.280 -10.857 1.00 0.00 N HETATM 1443 CG1 48L A 200 2.443 12.926 -10.433 1.00 0.00 C HETATM 1444 CG2 48L A 200 0.705 10.888 -9.333 1.00 0.00 C HETATM 1445 CG3 48L A 200 -1.015 13.520 -12.928 1.00 0.00 C HETATM 1446 CD1 48L A 200 2.618 12.436 -11.734 1.00 0.00 C HETATM 1447 CD2 48L A 200 3.552 13.012 -9.590 1.00 0.00 C HETATM 1448 CD3 48L A 200 0.901 9.929 -10.332 1.00 0.00 C HETATM 1449 CD4 48L A 200 1.148 10.610 -8.035 1.00 0.00 C HETATM 1450 CD5 48L A 200 -2.161 12.831 -13.348 1.00 0.00 C HETATM 1451 CD6 48L A 200 -0.344 14.328 -13.863 1.00 0.00 C HETATM 1452 CE1 48L A 200 3.881 12.049 -12.182 1.00 0.00 C HETATM 1453 CE2 48L A 200 4.813 12.629 -10.037 1.00 0.00 C HETATM 1454 CE3 48L A 200 1.762 9.395 -7.736 1.00 0.00 C HETATM 1455 CE4 48L A 200 1.536 8.726 -10.036 1.00 0.00 C HETATM 1456 CE5 48L A 200 -2.688 13.032 -14.621 1.00 0.00 C HETATM 1457 CE6 48L A 200 -0.898 14.552 -15.124 1.00 0.00 C HETATM 1458 CZ1 48L A 200 4.980 12.157 -11.334 1.00 0.00 C HETATM 1459 CZ2 48L A 200 1.960 8.448 -8.739 1.00 0.00 C HETATM 1460 CZ3 48L A 200 -2.077 13.921 -15.493 1.00 0.00 C HETATM 1461 CL 48L A 200 6.558 11.722 -11.886 1.00 0.00 CL HETATM 1462 CM1 48L A 200 -3.017 15.467 -17.128 1.00 0.00 C HETATM 1463 CM2 48L A 200 2.304 13.911 -15.399 1.00 0.00 C HETATM 1464 CM3 48L A 200 3.187 15.565 -13.706 1.00 0.00 C HETATM 1465 C1 48L A 200 -1.289 18.793 -11.811 1.00 0.00 C HETATM 1466 N1 48L A 200 -2.482 18.473 -11.292 1.00 0.00 N HETATM 1467 O1 48L A 200 -1.158 19.897 -12.307 1.00 0.00 O HETATM 1468 C2 48L A 200 -2.794 17.171 -10.697 1.00 0.00 C HETATM 1469 N2 48L A 200 -0.479 16.381 -11.278 1.00 0.00 N HETATM 1470 C3 48L A 200 -1.921 16.043 -11.276 1.00 0.00 C HETATM 1471 N3 48L A 200 0.359 14.218 -10.877 1.00 0.00 N HETATM 1472 O3 48L A 200 -2.627 14.130 -16.735 1.00 0.00 O HETATM 1473 C4 48L A 200 -0.163 17.764 -11.747 1.00 0.00 C HETATM 1474 C5 48L A 200 0.526 15.560 -10.856 1.00 0.00 C HETATM 1475 O5 48L A 200 1.555 16.047 -10.426 1.00 0.00 O HETATM 1476 C6 48L A 200 -0.574 13.356 -11.508 1.00 0.00 C HETATM 1477 O6 48L A 200 0.917 14.814 -13.571 1.00 0.00 O HETATM 1478 C7 48L A 200 0.058 12.237 -9.646 1.00 0.00 C HETATM 1479 C8 48L A 200 1.074 13.382 -9.912 1.00 0.00 C HETATM 1480 C9 48L A 200 1.957 15.138 -14.528 1.00 0.00 C HETATM 1481 BR 48L A 200 1.843 7.464 -11.420 1.00 0.00 BR HETATM 1482 F 48L A 200 0.998 11.518 -7.053 1.00 0.00 F