USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 784 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 57 ASN : amide:sc= 0.768 K(o=5,f=3.7) USER MOD Set 1.2: A 92 SER OG : rot -49:sc= 1.73 USER MOD Set 1.3: A 114 LYS NZ :NH3+ 162:sc= 2.53 (180deg=1.03) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -171:sc=-0.00136 (180deg=-0.119) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 166:sc= -5.74! (180deg=-6.5!) USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 1.33 (180deg=1.21) USER MOD Single : A 36 MET CE :methyl -160:sc= -0.101 (180deg=-0.571) USER MOD Single : A 38 ASN : amide:sc= -0.99 K(o=-0.99,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 42 ASN : amide:sc= -0.995 X(o=-0.99,f=-0.59) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 54:sc= 0.294 USER MOD Single : A 54 LYS NZ :NH3+ -150:sc= -2.26! (180deg=-3.71!) USER MOD Single : A 60 ASN : amide:sc= -0.0242 K(o=-0.024,f=-0.81) USER MOD Single : A 65 TYR OH : rot 16:sc= -0.596 USER MOD Single : A 69 ASN : amide:sc= -1.03 K(o=-1,f=-11!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -173:sc= -0.0737 (180deg=-0.142) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 30:sc= -0.0392 USER MOD Single : A 80 ASN : amide:sc=-0.00999 K(o=-0.01,f=-1.4) USER MOD Single : A 84 LYS NZ :NH3+ -166:sc= -0.0623 (180deg=-0.338) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0111 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -34:sc= 0.0933 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.3) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc=-0.00689 (180deg=-0.00689) USER MOD Single : A 112 GLN : amide:sc= -1.45! C(o=-1.5!,f=-6!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N ASN A 19 -15.196 -1.419 6.324 1.00 0.00 N ATOM 40 CA ASN A 19 -14.287 -0.613 7.134 1.00 0.00 C ATOM 41 C ASN A 19 -12.849 -1.074 6.986 1.00 0.00 C ATOM 42 O ASN A 19 -12.539 -2.262 7.075 1.00 0.00 O ATOM 43 CB ASN A 19 -14.671 -0.670 8.608 1.00 0.00 C ATOM 44 CG ASN A 19 -16.102 -0.246 8.866 1.00 0.00 C ATOM 45 OD1 ASN A 19 -17.022 -1.062 8.801 1.00 0.00 O ATOM 46 ND2 ASN A 19 -16.299 1.024 9.176 1.00 0.00 N ATOM 0 HA ASN A 19 -14.371 0.412 6.773 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.528 -1.686 8.976 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.000 -0.027 9.177 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -17.242 1.361 9.372 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -15.508 1.667 9.219 1.00 0.00 H new ATOM 53 N PRO A 20 -11.960 -0.098 6.782 1.00 0.00 N ATOM 54 CA PRO A 20 -10.519 -0.320 6.628 1.00 0.00 C ATOM 55 C PRO A 20 -9.904 -0.945 7.871 1.00 0.00 C ATOM 56 O PRO A 20 -9.016 -1.792 7.788 1.00 0.00 O ATOM 57 CB PRO A 20 -9.958 1.093 6.429 1.00 0.00 C ATOM 58 CG PRO A 20 -11.018 2.013 6.932 1.00 0.00 C ATOM 59 CD PRO A 20 -12.317 1.321 6.692 1.00 0.00 C ATOM 0 HA PRO A 20 -10.299 -1.005 5.809 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.027 1.227 6.980 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.738 1.284 5.379 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.879 2.224 7.992 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.984 2.969 6.410 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.064 1.597 7.436 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.732 1.571 5.716 1.00 0.00 H new ATOM 67 N GLU A 21 -10.389 -0.500 9.020 1.00 0.00 N ATOM 68 CA GLU A 21 -9.940 -1.002 10.312 1.00 0.00 C ATOM 69 C GLU A 21 -10.194 -2.503 10.455 1.00 0.00 C ATOM 70 O GLU A 21 -9.435 -3.207 11.119 1.00 0.00 O ATOM 71 CB GLU A 21 -10.651 -0.247 11.437 1.00 0.00 C ATOM 72 CG GLU A 21 -10.378 -0.818 12.817 1.00 0.00 C ATOM 73 CD GLU A 21 -11.179 -0.137 13.904 1.00 0.00 C ATOM 74 OE1 GLU A 21 -12.372 -0.469 14.066 1.00 0.00 O ATOM 75 OE2 GLU A 21 -10.618 0.720 14.615 1.00 0.00 O ATOM 0 H GLU A 21 -11.107 0.221 9.084 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.865 -0.837 10.378 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.339 0.797 11.416 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.725 -0.263 11.252 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.608 -1.883 12.816 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.316 -0.722 13.041 1.00 0.00 H new ATOM 82 N ASP A 22 -11.252 -2.989 9.820 1.00 0.00 N ATOM 83 CA ASP A 22 -11.656 -4.386 9.963 1.00 0.00 C ATOM 84 C ASP A 22 -10.716 -5.312 9.189 1.00 0.00 C ATOM 85 O ASP A 22 -10.785 -6.533 9.313 1.00 0.00 O ATOM 86 CB ASP A 22 -13.096 -4.576 9.484 1.00 0.00 C ATOM 87 CG ASP A 22 -13.845 -5.626 10.282 1.00 0.00 C ATOM 88 OD1 ASP A 22 -14.475 -5.263 11.299 1.00 0.00 O ATOM 89 OD2 ASP A 22 -13.825 -6.815 9.901 1.00 0.00 O ATOM 0 H ASP A 22 -11.847 -2.439 9.201 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.598 -4.647 11.020 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.626 -3.626 9.554 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.090 -4.861 8.432 1.00 0.00 H new ATOM 94 N PHE A 23 -9.835 -4.722 8.392 1.00 0.00 N ATOM 95 CA PHE A 23 -8.826 -5.480 7.668 1.00 0.00 C ATOM 96 C PHE A 23 -7.660 -5.803 8.589 1.00 0.00 C ATOM 97 O PHE A 23 -7.392 -5.074 9.547 1.00 0.00 O ATOM 98 CB PHE A 23 -8.316 -4.685 6.462 1.00 0.00 C ATOM 99 CG PHE A 23 -9.284 -4.615 5.315 1.00 0.00 C ATOM 100 CD1 PHE A 23 -10.400 -3.798 5.376 1.00 0.00 C ATOM 101 CD2 PHE A 23 -9.072 -5.370 4.175 1.00 0.00 C ATOM 102 CE1 PHE A 23 -11.287 -3.735 4.320 1.00 0.00 C ATOM 103 CE2 PHE A 23 -9.954 -5.311 3.115 1.00 0.00 C ATOM 104 CZ PHE A 23 -11.064 -4.493 3.188 1.00 0.00 C ATOM 0 H PHE A 23 -9.800 -3.715 8.231 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.280 -6.406 7.315 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.078 -3.671 6.784 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.387 -5.135 6.112 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.579 -3.203 6.260 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.206 -6.013 4.114 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.154 -3.094 4.379 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.776 -5.904 2.230 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.757 -4.446 2.361 1.00 0.00 H new ATOM 114 N LYS A 24 -6.963 -6.890 8.294 1.00 0.00 N ATOM 115 CA LYS A 24 -5.787 -7.276 9.062 1.00 0.00 C ATOM 116 C LYS A 24 -4.664 -6.304 8.776 1.00 0.00 C ATOM 117 O LYS A 24 -3.802 -6.043 9.621 1.00 0.00 O ATOM 118 CB LYS A 24 -5.320 -8.683 8.697 1.00 0.00 C ATOM 119 CG LYS A 24 -6.295 -9.775 9.076 1.00 0.00 C ATOM 120 CD LYS A 24 -6.479 -9.880 10.581 1.00 0.00 C ATOM 121 CE LYS A 24 -7.371 -11.054 10.948 1.00 0.00 C ATOM 122 NZ LYS A 24 -8.736 -10.924 10.370 1.00 0.00 N ATOM 0 H LYS A 24 -7.191 -7.522 7.527 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.054 -7.261 10.119 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.141 -8.727 7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.366 -8.876 9.188 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.259 -9.579 8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.939 -10.729 8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.507 -9.995 11.061 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.915 -8.956 10.961 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.915 -11.979 10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.443 -11.128 12.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.353 -11.661 10.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.123 -9.987 10.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.687 -11.033 9.337 1.00 0.00 H new ATOM 136 N VAL A 25 -4.699 -5.764 7.568 1.00 0.00 N ATOM 137 CA VAL A 25 -3.652 -4.895 7.072 1.00 0.00 C ATOM 138 C VAL A 25 -3.638 -3.569 7.825 1.00 0.00 C ATOM 139 O VAL A 25 -2.649 -2.849 7.792 1.00 0.00 O ATOM 140 CB VAL A 25 -3.812 -4.642 5.551 1.00 0.00 C ATOM 141 CG1 VAL A 25 -4.555 -5.789 4.894 1.00 0.00 C ATOM 142 CG2 VAL A 25 -4.524 -3.331 5.271 1.00 0.00 C ATOM 0 H VAL A 25 -5.458 -5.919 6.904 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.700 -5.399 7.241 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.811 -4.577 5.126 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.657 -5.593 3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.999 -6.715 5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.544 -5.885 5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.617 -3.190 4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.517 -3.353 5.721 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.951 -2.507 5.697 1.00 0.00 H new ATOM 152 N PHE A 26 -4.734 -3.264 8.514 1.00 0.00 N ATOM 153 CA PHE A 26 -4.845 -2.017 9.257 1.00 0.00 C ATOM 154 C PHE A 26 -3.688 -1.881 10.242 1.00 0.00 C ATOM 155 O PHE A 26 -2.953 -0.899 10.212 1.00 0.00 O ATOM 156 CB PHE A 26 -6.187 -1.954 9.991 1.00 0.00 C ATOM 157 CG PHE A 26 -6.441 -0.641 10.677 1.00 0.00 C ATOM 158 CD1 PHE A 26 -6.824 0.472 9.946 1.00 0.00 C ATOM 159 CD2 PHE A 26 -6.293 -0.519 12.049 1.00 0.00 C ATOM 160 CE1 PHE A 26 -7.057 1.681 10.570 1.00 0.00 C ATOM 161 CE2 PHE A 26 -6.525 0.689 12.678 1.00 0.00 C ATOM 162 CZ PHE A 26 -6.907 1.790 11.938 1.00 0.00 C ATOM 0 H PHE A 26 -5.556 -3.864 8.572 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.797 -1.186 8.553 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.990 -2.142 9.278 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.224 -2.753 10.731 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.942 0.393 8.875 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.993 -1.377 12.633 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.356 2.541 9.989 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.408 0.772 13.748 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.088 2.735 12.428 1.00 0.00 H new ATOM 172 N LYS A 27 -3.511 -2.883 11.091 1.00 0.00 N ATOM 173 CA LYS A 27 -2.414 -2.897 12.036 1.00 0.00 C ATOM 174 C LYS A 27 -1.095 -3.165 11.321 1.00 0.00 C ATOM 175 O LYS A 27 -0.096 -2.500 11.580 1.00 0.00 O ATOM 176 CB LYS A 27 -2.683 -3.967 13.098 1.00 0.00 C ATOM 177 CG LYS A 27 -1.436 -4.549 13.737 1.00 0.00 C ATOM 178 CD LYS A 27 -1.298 -4.154 15.200 1.00 0.00 C ATOM 179 CE LYS A 27 -1.061 -2.660 15.365 1.00 0.00 C ATOM 180 NZ LYS A 27 -1.004 -2.260 16.795 1.00 0.00 N ATOM 0 H LYS A 27 -4.120 -3.700 11.141 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.338 -1.923 12.519 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.308 -3.536 13.880 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.254 -4.776 12.643 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.463 -5.636 13.658 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.557 -4.211 13.187 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.201 -4.440 15.740 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.471 -4.704 15.648 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.128 -2.385 14.874 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.858 -2.109 14.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.841 -1.235 16.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.904 -2.499 17.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.227 -2.766 17.266 1.00 0.00 H new ATOM 194 N TYR A 28 -1.108 -4.125 10.403 1.00 0.00 N ATOM 195 CA TYR A 28 0.108 -4.541 9.708 1.00 0.00 C ATOM 196 C TYR A 28 0.757 -3.390 8.949 1.00 0.00 C ATOM 197 O TYR A 28 1.966 -3.194 9.029 1.00 0.00 O ATOM 198 CB TYR A 28 -0.194 -5.684 8.743 1.00 0.00 C ATOM 199 CG TYR A 28 -0.088 -7.057 9.358 1.00 0.00 C ATOM 200 CD1 TYR A 28 1.154 -7.625 9.593 1.00 0.00 C ATOM 201 CD2 TYR A 28 -1.220 -7.786 9.690 1.00 0.00 C ATOM 202 CE1 TYR A 28 1.269 -8.880 10.143 1.00 0.00 C ATOM 203 CE2 TYR A 28 -1.115 -9.046 10.242 1.00 0.00 C ATOM 204 CZ TYR A 28 0.133 -9.589 10.466 1.00 0.00 C ATOM 205 OH TYR A 28 0.247 -10.843 11.016 1.00 0.00 O ATOM 0 H TYR A 28 -1.948 -4.631 10.121 1.00 0.00 H new ATOM 0 HA TYR A 28 0.811 -4.879 10.469 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.201 -5.553 8.346 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.492 -5.622 7.899 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.047 -7.073 9.340 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.197 -7.361 9.514 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.245 -9.308 10.321 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.004 -9.604 10.497 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.646 -11.208 11.187 1.00 0.00 H new ATOM 215 N MET A 29 -0.037 -2.631 8.215 1.00 0.00 N ATOM 216 CA MET A 29 0.496 -1.526 7.435 1.00 0.00 C ATOM 217 C MET A 29 0.793 -0.328 8.324 1.00 0.00 C ATOM 218 O MET A 29 1.642 0.498 8.002 1.00 0.00 O ATOM 219 CB MET A 29 -0.463 -1.131 6.314 1.00 0.00 C ATOM 220 CG MET A 29 -0.738 -2.263 5.337 1.00 0.00 C ATOM 221 SD MET A 29 -1.675 -1.725 3.900 1.00 0.00 S ATOM 222 CE MET A 29 -0.555 -0.499 3.240 1.00 0.00 C ATOM 0 H MET A 29 -1.047 -2.757 8.142 1.00 0.00 H new ATOM 0 HA MET A 29 1.430 -1.860 6.983 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.405 -0.799 6.750 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.047 -0.283 5.770 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.209 -2.692 5.009 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.287 -3.054 5.848 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.854 -0.242 2.224 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.585 0.394 3.864 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.458 -0.900 3.229 1.00 0.00 H new ATOM 232 N LYS A 30 0.108 -0.243 9.452 1.00 0.00 N ATOM 233 CA LYS A 30 0.350 0.835 10.396 1.00 0.00 C ATOM 234 C LYS A 30 1.634 0.605 11.179 1.00 0.00 C ATOM 235 O LYS A 30 2.315 1.558 11.558 1.00 0.00 O ATOM 236 CB LYS A 30 -0.845 1.014 11.332 1.00 0.00 C ATOM 237 CG LYS A 30 -1.899 1.966 10.779 1.00 0.00 C ATOM 238 CD LYS A 30 -1.335 3.365 10.564 1.00 0.00 C ATOM 239 CE LYS A 30 -2.300 4.252 9.796 1.00 0.00 C ATOM 240 NZ LYS A 30 -1.704 5.581 9.493 1.00 0.00 N ATOM 0 H LYS A 30 -0.616 -0.903 9.735 1.00 0.00 H new ATOM 0 HA LYS A 30 0.474 1.757 9.828 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.303 0.042 11.517 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.493 1.389 12.293 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.281 1.578 9.835 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.743 2.015 11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.114 3.820 11.530 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.393 3.297 10.020 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.584 3.760 8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.212 4.386 10.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.403 6.170 8.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.424 6.046 10.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.867 5.456 8.889 1.00 0.00 H new ATOM 254 N ILE A 31 1.974 -0.654 11.414 1.00 0.00 N ATOM 255 CA ILE A 31 3.253 -0.969 12.028 1.00 0.00 C ATOM 256 C ILE A 31 4.338 -0.986 10.962 1.00 0.00 C ATOM 257 O ILE A 31 5.496 -0.725 11.255 1.00 0.00 O ATOM 258 CB ILE A 31 3.230 -2.305 12.801 1.00 0.00 C ATOM 259 CG1 ILE A 31 3.118 -3.496 11.848 1.00 0.00 C ATOM 260 CG2 ILE A 31 2.090 -2.297 13.808 1.00 0.00 C ATOM 261 CD1 ILE A 31 2.982 -4.831 12.552 1.00 0.00 C ATOM 0 H ILE A 31 1.392 -1.462 11.193 1.00 0.00 H new ATOM 0 HA ILE A 31 3.467 -0.192 12.761 1.00 0.00 H new ATOM 0 HB ILE A 31 4.172 -2.412 13.339 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.256 -3.349 11.197 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.000 -3.521 11.208 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.078 -3.242 14.351 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.231 -1.476 14.511 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.143 -2.167 13.284 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.908 -5.627 11.811 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.856 -5.001 13.181 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.085 -4.826 13.171 1.00 0.00 H new ATOM 273 N LEU A 32 3.943 -1.290 9.724 1.00 0.00 N ATOM 274 CA LEU A 32 4.812 -1.113 8.560 1.00 0.00 C ATOM 275 C LEU A 32 5.299 0.327 8.551 1.00 0.00 C ATOM 276 O LEU A 32 6.500 0.596 8.476 1.00 0.00 O ATOM 277 CB LEU A 32 4.017 -1.422 7.276 1.00 0.00 C ATOM 278 CG LEU A 32 4.806 -1.512 5.955 1.00 0.00 C ATOM 279 CD1 LEU A 32 3.907 -2.062 4.861 1.00 0.00 C ATOM 280 CD2 LEU A 32 5.353 -0.157 5.526 1.00 0.00 C ATOM 0 H LEU A 32 3.020 -1.663 9.502 1.00 0.00 H new ATOM 0 HA LEU A 32 5.665 -1.790 8.607 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.497 -2.369 7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.253 -0.653 7.160 1.00 0.00 H new ATOM 0 HG LEU A 32 5.653 -2.178 6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.466 -2.125 3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.558 -3.055 5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.051 -1.401 4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.902 -0.266 4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.527 0.540 5.383 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.022 0.226 6.297 1.00 0.00 H new ATOM 292 N GLU A 33 4.330 1.231 8.648 1.00 0.00 N ATOM 293 CA GLU A 33 4.564 2.662 8.710 1.00 0.00 C ATOM 294 C GLU A 33 5.717 2.994 9.649 1.00 0.00 C ATOM 295 O GLU A 33 6.712 3.598 9.244 1.00 0.00 O ATOM 296 CB GLU A 33 3.293 3.336 9.204 1.00 0.00 C ATOM 297 CG GLU A 33 3.053 4.697 8.607 1.00 0.00 C ATOM 298 CD GLU A 33 1.813 5.361 9.160 1.00 0.00 C ATOM 299 OE1 GLU A 33 1.839 5.790 10.330 1.00 0.00 O ATOM 300 OE2 GLU A 33 0.808 5.464 8.424 1.00 0.00 O ATOM 0 H GLU A 33 3.342 0.981 8.686 1.00 0.00 H new ATOM 0 HA GLU A 33 4.830 3.022 7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.441 2.695 8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.341 3.429 10.289 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.918 5.332 8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.960 4.604 7.525 1.00 0.00 H new ATOM 307 N GLU A 34 5.583 2.579 10.899 1.00 0.00 N ATOM 308 CA GLU A 34 6.609 2.823 11.894 1.00 0.00 C ATOM 309 C GLU A 34 7.878 2.033 11.595 1.00 0.00 C ATOM 310 O GLU A 34 8.954 2.606 11.483 1.00 0.00 O ATOM 311 CB GLU A 34 6.098 2.467 13.291 1.00 0.00 C ATOM 312 CG GLU A 34 7.208 2.351 14.322 1.00 0.00 C ATOM 313 CD GLU A 34 6.691 2.197 15.735 1.00 0.00 C ATOM 314 OE1 GLU A 34 6.044 3.135 16.244 1.00 0.00 O ATOM 315 OE2 GLU A 34 6.935 1.139 16.349 1.00 0.00 O ATOM 0 H GLU A 34 4.770 2.070 11.247 1.00 0.00 H new ATOM 0 HA GLU A 34 6.851 3.885 11.858 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.387 3.227 13.616 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.555 1.523 13.243 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.836 1.495 14.076 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.841 3.237 14.267 1.00 0.00 H new ATOM 322 N ALA A 35 7.728 0.723 11.437 1.00 0.00 N ATOM 323 CA ALA A 35 8.858 -0.200 11.367 1.00 0.00 C ATOM 324 C ALA A 35 9.877 0.181 10.291 1.00 0.00 C ATOM 325 O ALA A 35 11.085 0.044 10.503 1.00 0.00 O ATOM 326 CB ALA A 35 8.349 -1.616 11.157 1.00 0.00 C ATOM 0 H ALA A 35 6.819 0.269 11.354 1.00 0.00 H new ATOM 0 HA ALA A 35 9.388 -0.139 12.317 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.194 -2.302 11.105 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.703 -1.898 11.989 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.784 -1.665 10.226 1.00 0.00 H new ATOM 332 N MET A 36 9.399 0.673 9.152 1.00 0.00 N ATOM 333 CA MET A 36 10.282 1.069 8.056 1.00 0.00 C ATOM 334 C MET A 36 11.198 2.226 8.459 1.00 0.00 C ATOM 335 O MET A 36 12.364 2.273 8.061 1.00 0.00 O ATOM 336 CB MET A 36 9.453 1.450 6.831 1.00 0.00 C ATOM 337 CG MET A 36 8.664 0.286 6.261 1.00 0.00 C ATOM 338 SD MET A 36 9.714 -1.001 5.551 1.00 0.00 S ATOM 339 CE MET A 36 10.454 -0.124 4.174 1.00 0.00 C ATOM 0 H MET A 36 8.406 0.808 8.962 1.00 0.00 H new ATOM 0 HA MET A 36 10.917 0.217 7.811 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.764 2.251 7.100 1.00 0.00 H new ATOM 0 HB3 MET A 36 10.115 1.845 6.060 1.00 0.00 H new ATOM 0 HG2 MET A 36 8.049 -0.149 7.049 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.984 0.656 5.494 1.00 0.00 H new ATOM 0 HE1 MET A 36 10.833 -0.842 3.447 1.00 0.00 H new ATOM 0 HE2 MET A 36 9.704 0.510 3.701 1.00 0.00 H new ATOM 0 HE3 MET A 36 11.276 0.494 4.536 1.00 0.00 H new ATOM 349 N GLU A 37 10.671 3.154 9.246 1.00 0.00 N ATOM 350 CA GLU A 37 11.462 4.277 9.737 1.00 0.00 C ATOM 351 C GLU A 37 12.119 3.918 11.069 1.00 0.00 C ATOM 352 O GLU A 37 13.114 4.517 11.476 1.00 0.00 O ATOM 353 CB GLU A 37 10.579 5.522 9.886 1.00 0.00 C ATOM 354 CG GLU A 37 11.322 6.749 10.395 1.00 0.00 C ATOM 355 CD GLU A 37 10.467 8.002 10.374 1.00 0.00 C ATOM 356 OE1 GLU A 37 9.629 8.175 11.285 1.00 0.00 O ATOM 357 OE2 GLU A 37 10.632 8.826 9.449 1.00 0.00 O ATOM 0 H GLU A 37 9.700 3.153 9.559 1.00 0.00 H new ATOM 0 HA GLU A 37 12.248 4.497 9.015 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.131 5.755 8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.761 5.295 10.570 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.664 6.565 11.413 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.210 6.910 9.784 1.00 0.00 H new ATOM 364 N ASN A 38 11.557 2.915 11.731 1.00 0.00 N ATOM 365 CA ASN A 38 12.055 2.452 13.020 1.00 0.00 C ATOM 366 C ASN A 38 13.408 1.769 12.858 1.00 0.00 C ATOM 367 O ASN A 38 14.200 1.712 13.798 1.00 0.00 O ATOM 368 CB ASN A 38 11.045 1.490 13.655 1.00 0.00 C ATOM 369 CG ASN A 38 11.395 1.086 15.077 1.00 0.00 C ATOM 370 OD1 ASN A 38 11.090 -0.027 15.504 1.00 0.00 O ATOM 371 ND2 ASN A 38 12.014 1.985 15.826 1.00 0.00 N ATOM 0 H ASN A 38 10.745 2.400 11.391 1.00 0.00 H new ATOM 0 HA ASN A 38 12.184 3.314 13.675 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.060 1.957 13.652 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.974 0.593 13.039 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.254 1.765 16.793 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.251 2.898 15.437 1.00 0.00 H new ATOM 378 N ASP A 39 13.665 1.243 11.662 1.00 0.00 N ATOM 379 CA ASP A 39 14.960 0.651 11.353 1.00 0.00 C ATOM 380 C ASP A 39 16.045 1.697 11.547 1.00 0.00 C ATOM 381 O ASP A 39 15.909 2.840 11.109 1.00 0.00 O ATOM 382 CB ASP A 39 14.997 0.129 9.912 1.00 0.00 C ATOM 383 CG ASP A 39 16.264 -0.658 9.614 1.00 0.00 C ATOM 384 OD1 ASP A 39 17.336 -0.039 9.438 1.00 0.00 O ATOM 385 OD2 ASP A 39 16.193 -1.906 9.571 1.00 0.00 O ATOM 0 H ASP A 39 12.994 1.216 10.894 1.00 0.00 H new ATOM 0 HA ASP A 39 15.128 -0.192 12.024 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.128 -0.505 9.736 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.923 0.969 9.222 1.00 0.00 H new ATOM 390 N THR A 40 17.106 1.295 12.229 1.00 0.00 N ATOM 391 CA THR A 40 18.189 2.177 12.605 1.00 0.00 C ATOM 392 C THR A 40 18.777 2.937 11.410 1.00 0.00 C ATOM 393 O THR A 40 19.268 4.054 11.566 1.00 0.00 O ATOM 394 CB THR A 40 19.288 1.357 13.290 1.00 0.00 C ATOM 395 OG1 THR A 40 18.707 0.182 13.882 1.00 0.00 O ATOM 396 CG2 THR A 40 19.958 2.171 14.374 1.00 0.00 C ATOM 0 H THR A 40 17.237 0.332 12.539 1.00 0.00 H new ATOM 0 HA THR A 40 17.784 2.925 13.287 1.00 0.00 H new ATOM 0 HB THR A 40 20.031 1.076 12.543 1.00 0.00 H new ATOM 0 HG1 THR A 40 19.408 -0.345 14.319 1.00 0.00 H new ATOM 0 HG21 THR A 40 20.736 1.573 14.850 1.00 0.00 H new ATOM 0 HG22 THR A 40 20.404 3.064 13.936 1.00 0.00 H new ATOM 0 HG23 THR A 40 19.218 2.463 15.119 1.00 0.00 H new ATOM 404 N GLU A 41 18.731 2.332 10.227 1.00 0.00 N ATOM 405 CA GLU A 41 19.246 2.975 9.023 1.00 0.00 C ATOM 406 C GLU A 41 18.120 3.552 8.171 1.00 0.00 C ATOM 407 O GLU A 41 18.396 4.233 7.183 1.00 0.00 O ATOM 408 CB GLU A 41 20.048 1.979 8.193 1.00 0.00 C ATOM 409 CG GLU A 41 21.303 1.480 8.881 1.00 0.00 C ATOM 410 CD GLU A 41 22.034 0.456 8.047 1.00 0.00 C ATOM 411 OE1 GLU A 41 22.888 0.849 7.221 1.00 0.00 O ATOM 412 OE2 GLU A 41 21.744 -0.747 8.197 1.00 0.00 O ATOM 0 H GLU A 41 18.344 1.400 10.077 1.00 0.00 H new ATOM 0 HA GLU A 41 19.892 3.793 9.341 1.00 0.00 H new ATOM 0 HB2 GLU A 41 19.413 1.126 7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 41 20.324 2.447 7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 41 21.965 2.322 9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 41 21.039 1.042 9.844 1.00 0.00 H new ATOM 419 N ASN A 42 16.868 3.293 8.575 1.00 0.00 N ATOM 420 CA ASN A 42 15.674 3.756 7.861 1.00 0.00 C ATOM 421 C ASN A 42 15.883 3.736 6.349 1.00 0.00 C ATOM 422 O ASN A 42 16.027 4.776 5.700 1.00 0.00 O ATOM 423 CB ASN A 42 15.208 5.142 8.365 1.00 0.00 C ATOM 424 CG ASN A 42 16.248 6.247 8.239 1.00 0.00 C ATOM 425 OD1 ASN A 42 17.120 6.403 9.095 1.00 0.00 O ATOM 426 ND2 ASN A 42 16.131 7.052 7.195 1.00 0.00 N ATOM 0 H ASN A 42 16.656 2.752 9.413 1.00 0.00 H new ATOM 0 HA ASN A 42 14.870 3.054 8.081 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.317 5.435 7.809 1.00 0.00 H new ATOM 0 HB3 ASN A 42 14.916 5.054 9.412 1.00 0.00 H new ATOM 0 HD21 ASN A 42 16.776 7.834 7.079 1.00 0.00 H new ATOM 0 HD22 ASN A 42 15.396 6.891 6.507 1.00 0.00 H new ATOM 433 N LEU A 43 15.878 2.525 5.797 1.00 0.00 N ATOM 434 CA LEU A 43 16.177 2.301 4.383 1.00 0.00 C ATOM 435 C LEU A 43 15.139 2.950 3.473 1.00 0.00 C ATOM 436 O LEU A 43 15.256 2.898 2.248 1.00 0.00 O ATOM 437 CB LEU A 43 16.249 0.801 4.090 1.00 0.00 C ATOM 438 CG LEU A 43 17.250 0.017 4.941 1.00 0.00 C ATOM 439 CD1 LEU A 43 17.249 -1.450 4.544 1.00 0.00 C ATOM 440 CD2 LEU A 43 18.645 0.602 4.803 1.00 0.00 C ATOM 0 H LEU A 43 15.667 1.672 6.315 1.00 0.00 H new ATOM 0 HA LEU A 43 17.142 2.764 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 43 15.258 0.371 4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 43 16.505 0.664 3.039 1.00 0.00 H new ATOM 0 HG LEU A 43 16.947 0.095 5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 43 17.966 -1.994 5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 43 16.253 -1.867 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 43 17.527 -1.543 3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 43 19.342 0.030 5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 43 18.957 0.556 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.638 1.640 5.134 1.00 0.00 H new ATOM 452 N ILE A 44 14.140 3.581 4.079 1.00 0.00 N ATOM 453 CA ILE A 44 13.080 4.244 3.335 1.00 0.00 C ATOM 454 C ILE A 44 13.654 5.350 2.444 1.00 0.00 C ATOM 455 O ILE A 44 13.073 5.698 1.419 1.00 0.00 O ATOM 456 CB ILE A 44 12.016 4.855 4.279 1.00 0.00 C ATOM 457 CG1 ILE A 44 10.687 4.994 3.547 1.00 0.00 C ATOM 458 CG2 ILE A 44 12.460 6.215 4.805 1.00 0.00 C ATOM 459 CD1 ILE A 44 9.890 3.712 3.478 1.00 0.00 C ATOM 0 H ILE A 44 14.043 3.646 5.092 1.00 0.00 H new ATOM 0 HA ILE A 44 12.602 3.485 2.715 1.00 0.00 H new ATOM 0 HB ILE A 44 11.895 4.183 5.129 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.088 5.757 4.044 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.877 5.348 2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.692 6.618 5.465 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.392 6.104 5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.614 6.896 3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.958 3.891 2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.469 2.951 2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.668 3.367 4.488 1.00 0.00 H new ATOM 471 N GLU A 45 14.807 5.892 2.838 1.00 0.00 N ATOM 472 CA GLU A 45 15.415 6.991 2.104 1.00 0.00 C ATOM 473 C GLU A 45 16.154 6.485 0.872 1.00 0.00 C ATOM 474 O GLU A 45 16.449 7.253 -0.043 1.00 0.00 O ATOM 475 CB GLU A 45 16.360 7.788 3.001 1.00 0.00 C ATOM 476 CG GLU A 45 15.656 8.453 4.170 1.00 0.00 C ATOM 477 CD GLU A 45 16.515 9.499 4.842 1.00 0.00 C ATOM 478 OE1 GLU A 45 16.538 10.646 4.353 1.00 0.00 O ATOM 479 OE2 GLU A 45 17.173 9.186 5.854 1.00 0.00 O ATOM 0 H GLU A 45 15.333 5.587 3.657 1.00 0.00 H new ATOM 0 HA GLU A 45 14.614 7.652 1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.135 7.123 3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.860 8.551 2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.733 8.915 3.819 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.375 7.694 4.900 1.00 0.00 H new ATOM 486 N LYS A 46 16.439 5.192 0.849 1.00 0.00 N ATOM 487 CA LYS A 46 17.091 4.577 -0.297 1.00 0.00 C ATOM 488 C LYS A 46 16.054 4.160 -1.330 1.00 0.00 C ATOM 489 O LYS A 46 16.277 4.262 -2.534 1.00 0.00 O ATOM 490 CB LYS A 46 17.911 3.367 0.143 1.00 0.00 C ATOM 491 CG LYS A 46 19.131 3.748 0.960 1.00 0.00 C ATOM 492 CD LYS A 46 19.777 2.539 1.616 1.00 0.00 C ATOM 493 CE LYS A 46 20.191 1.508 0.585 1.00 0.00 C ATOM 494 NZ LYS A 46 20.846 0.326 1.204 1.00 0.00 N ATOM 0 H LYS A 46 16.229 4.548 1.611 1.00 0.00 H new ATOM 0 HA LYS A 46 17.763 5.307 -0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.280 2.701 0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 46 18.229 2.810 -0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.858 4.243 0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 46 18.843 4.467 1.728 1.00 0.00 H new ATOM 0 HD2 LYS A 46 20.650 2.856 2.187 1.00 0.00 H new ATOM 0 HD3 LYS A 46 19.079 2.090 2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 46 19.314 1.183 0.026 1.00 0.00 H new ATOM 0 HE3 LYS A 46 20.874 1.966 -0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 21.112 -0.352 0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.698 0.630 1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 20.187 -0.128 1.868 1.00 0.00 H new ATOM 508 N VAL A 47 14.912 3.712 -0.839 1.00 0.00 N ATOM 509 CA VAL A 47 13.833 3.234 -1.688 1.00 0.00 C ATOM 510 C VAL A 47 12.698 4.265 -1.746 1.00 0.00 C ATOM 511 O VAL A 47 11.516 3.924 -1.827 1.00 0.00 O ATOM 512 CB VAL A 47 13.325 1.855 -1.192 1.00 0.00 C ATOM 513 CG1 VAL A 47 12.751 1.955 0.216 1.00 0.00 C ATOM 514 CG2 VAL A 47 12.320 1.247 -2.164 1.00 0.00 C ATOM 0 H VAL A 47 14.706 3.669 0.159 1.00 0.00 H new ATOM 0 HA VAL A 47 14.213 3.103 -2.701 1.00 0.00 H new ATOM 0 HB VAL A 47 14.182 1.183 -1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.403 0.973 0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.523 2.308 0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 47 11.916 2.655 0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.985 0.281 -1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.464 1.913 -2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 47 12.792 1.111 -3.137 1.00 0.00 H new ATOM 524 N ARG A 48 13.069 5.540 -1.672 1.00 0.00 N ATOM 525 CA ARG A 48 12.090 6.621 -1.717 1.00 0.00 C ATOM 526 C ARG A 48 11.189 6.506 -2.933 1.00 0.00 C ATOM 527 O ARG A 48 11.602 6.725 -4.073 1.00 0.00 O ATOM 528 CB ARG A 48 12.762 7.988 -1.695 1.00 0.00 C ATOM 529 CG ARG A 48 13.275 8.369 -0.324 1.00 0.00 C ATOM 530 CD ARG A 48 13.658 9.842 -0.271 1.00 0.00 C ATOM 531 NE ARG A 48 14.252 10.223 1.013 1.00 0.00 N ATOM 532 CZ ARG A 48 13.964 11.357 1.656 1.00 0.00 C ATOM 533 NH1 ARG A 48 13.083 12.208 1.146 1.00 0.00 N ATOM 534 NH2 ARG A 48 14.564 11.649 2.804 1.00 0.00 N ATOM 0 H ARG A 48 14.037 5.849 -1.581 1.00 0.00 H new ATOM 0 HA ARG A 48 11.476 6.525 -0.822 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.592 7.991 -2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 48 12.052 8.742 -2.034 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.510 8.162 0.424 1.00 0.00 H new ATOM 0 HG3 ARG A 48 14.141 7.756 -0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 48 14.364 10.059 -1.073 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.772 10.451 -0.453 1.00 0.00 H new ATOM 0 HE ARG A 48 14.924 9.585 1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 48 12.624 11.997 0.260 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.865 13.074 1.640 1.00 0.00 H new ATOM 0 HH21 ARG A 48 15.249 11.005 3.199 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.340 12.517 3.290 1.00 0.00 H new ATOM 548 N GLY A 49 9.950 6.175 -2.657 1.00 0.00 N ATOM 549 CA GLY A 49 8.975 5.929 -3.695 1.00 0.00 C ATOM 550 C GLY A 49 7.602 5.734 -3.104 1.00 0.00 C ATOM 551 O GLY A 49 7.453 5.714 -1.888 1.00 0.00 O ATOM 0 H GLY A 49 9.589 6.069 -1.709 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.960 6.767 -4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.259 5.045 -4.265 1.00 0.00 H new ATOM 555 N ILE A 50 6.590 5.600 -3.931 1.00 0.00 N ATOM 556 CA ILE A 50 5.241 5.466 -3.417 1.00 0.00 C ATOM 557 C ILE A 50 4.673 4.087 -3.703 1.00 0.00 C ATOM 558 O ILE A 50 4.686 3.616 -4.840 1.00 0.00 O ATOM 559 CB ILE A 50 4.326 6.559 -3.987 1.00 0.00 C ATOM 560 CG1 ILE A 50 4.960 7.917 -3.696 1.00 0.00 C ATOM 561 CG2 ILE A 50 2.928 6.464 -3.387 1.00 0.00 C ATOM 562 CD1 ILE A 50 4.154 9.097 -4.163 1.00 0.00 C ATOM 0 H ILE A 50 6.670 5.581 -4.948 1.00 0.00 H new ATOM 0 HA ILE A 50 5.288 5.589 -2.335 1.00 0.00 H new ATOM 0 HB ILE A 50 4.220 6.429 -5.064 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.120 8.006 -2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.941 7.954 -4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.298 7.249 -3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.498 5.490 -3.620 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.987 6.585 -2.305 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.680 10.019 -3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.015 9.038 -5.243 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.181 9.091 -3.671 1.00 0.00 H new ATOM 574 N TYR A 51 4.193 3.441 -2.655 1.00 0.00 N ATOM 575 CA TYR A 51 3.653 2.099 -2.766 1.00 0.00 C ATOM 576 C TYR A 51 2.143 2.144 -2.583 1.00 0.00 C ATOM 577 O TYR A 51 1.647 2.736 -1.630 1.00 0.00 O ATOM 578 CB TYR A 51 4.267 1.178 -1.706 1.00 0.00 C ATOM 579 CG TYR A 51 5.732 1.441 -1.417 1.00 0.00 C ATOM 580 CD1 TYR A 51 6.676 1.504 -2.435 1.00 0.00 C ATOM 581 CD2 TYR A 51 6.164 1.639 -0.114 1.00 0.00 C ATOM 582 CE1 TYR A 51 8.006 1.755 -2.157 1.00 0.00 C ATOM 583 CE2 TYR A 51 7.488 1.892 0.170 1.00 0.00 C ATOM 584 CZ TYR A 51 8.404 1.949 -0.852 1.00 0.00 C ATOM 585 OH TYR A 51 9.722 2.201 -0.563 1.00 0.00 O ATOM 0 H TYR A 51 4.167 3.828 -1.712 1.00 0.00 H new ATOM 0 HA TYR A 51 3.897 1.706 -3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.702 1.284 -0.780 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.154 0.144 -2.032 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.365 1.355 -3.459 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.448 1.594 0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.729 1.799 -2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.804 2.045 1.191 1.00 0.00 H new ATOM 0 HH TYR A 51 10.035 2.959 -1.099 1.00 0.00 H new ATOM 595 N GLY A 52 1.418 1.542 -3.502 1.00 0.00 N ATOM 596 CA GLY A 52 -0.019 1.475 -3.369 1.00 0.00 C ATOM 597 C GLY A 52 -0.475 0.072 -3.047 1.00 0.00 C ATOM 598 O GLY A 52 -0.240 -0.852 -3.819 1.00 0.00 O ATOM 0 H GLY A 52 1.795 1.097 -4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.346 2.155 -2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.488 1.809 -4.295 1.00 0.00 H new ATOM 602 N PHE A 53 -1.102 -0.102 -1.901 1.00 0.00 N ATOM 603 CA PHE A 53 -1.586 -1.417 -1.506 1.00 0.00 C ATOM 604 C PHE A 53 -3.082 -1.543 -1.726 1.00 0.00 C ATOM 605 O PHE A 53 -3.887 -1.008 -0.961 1.00 0.00 O ATOM 606 CB PHE A 53 -1.238 -1.714 -0.050 1.00 0.00 C ATOM 607 CG PHE A 53 0.030 -2.505 0.117 1.00 0.00 C ATOM 608 CD1 PHE A 53 1.254 -1.970 -0.248 1.00 0.00 C ATOM 609 CD2 PHE A 53 -0.005 -3.786 0.645 1.00 0.00 C ATOM 610 CE1 PHE A 53 2.418 -2.695 -0.091 1.00 0.00 C ATOM 611 CE2 PHE A 53 1.156 -4.517 0.805 1.00 0.00 C ATOM 612 CZ PHE A 53 2.369 -3.971 0.436 1.00 0.00 C ATOM 0 H PHE A 53 -1.289 0.642 -1.229 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.086 -2.152 -2.137 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.143 -0.773 0.491 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.061 -2.263 0.407 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.298 -0.973 -0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.952 -4.218 0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.366 -2.265 -0.380 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.115 -5.514 1.218 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.278 -4.541 0.559 1.00 0.00 H new ATOM 622 N LYS A 54 -3.442 -2.241 -2.789 1.00 0.00 N ATOM 623 CA LYS A 54 -4.831 -2.545 -3.075 1.00 0.00 C ATOM 624 C LYS A 54 -5.200 -3.863 -2.412 1.00 0.00 C ATOM 625 O LYS A 54 -4.890 -4.937 -2.925 1.00 0.00 O ATOM 626 CB LYS A 54 -5.064 -2.628 -4.586 1.00 0.00 C ATOM 627 CG LYS A 54 -4.999 -1.288 -5.302 1.00 0.00 C ATOM 628 CD LYS A 54 -5.178 -1.455 -6.803 1.00 0.00 C ATOM 629 CE LYS A 54 -5.456 -0.126 -7.496 1.00 0.00 C ATOM 630 NZ LYS A 54 -4.307 0.816 -7.435 1.00 0.00 N ATOM 0 H LYS A 54 -2.783 -2.611 -3.474 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.461 -1.749 -2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.320 -3.296 -5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.040 -3.077 -4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.773 -0.627 -4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.040 -0.811 -5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.280 -1.904 -7.227 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.001 -2.143 -6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.709 -0.313 -8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.326 0.342 -7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.660 1.794 -7.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.763 0.644 -6.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.694 0.670 -8.262 1.00 0.00 H new ATOM 644 N VAL A 55 -5.847 -3.774 -1.264 1.00 0.00 N ATOM 645 CA VAL A 55 -6.187 -4.954 -0.490 1.00 0.00 C ATOM 646 C VAL A 55 -7.654 -5.306 -0.688 1.00 0.00 C ATOM 647 O VAL A 55 -8.542 -4.530 -0.342 1.00 0.00 O ATOM 648 CB VAL A 55 -5.915 -4.741 1.011 1.00 0.00 C ATOM 649 CG1 VAL A 55 -6.056 -6.045 1.774 1.00 0.00 C ATOM 650 CG2 VAL A 55 -4.536 -4.134 1.229 1.00 0.00 C ATOM 0 H VAL A 55 -6.148 -2.894 -0.846 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.559 -5.772 -0.843 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.658 -4.042 1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.859 -5.871 2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.068 -6.431 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.342 -6.772 1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.365 -3.992 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.776 -4.803 0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.478 -3.171 0.721 1.00 0.00 H new ATOM 660 N ARG A 56 -7.907 -6.473 -1.251 1.00 0.00 N ATOM 661 CA ARG A 56 -9.265 -6.883 -1.566 1.00 0.00 C ATOM 662 C ARG A 56 -9.638 -8.138 -0.786 1.00 0.00 C ATOM 663 O ARG A 56 -8.830 -8.652 -0.011 1.00 0.00 O ATOM 664 CB ARG A 56 -9.399 -7.127 -3.070 1.00 0.00 C ATOM 665 CG ARG A 56 -8.851 -5.987 -3.915 1.00 0.00 C ATOM 666 CD ARG A 56 -9.092 -6.218 -5.396 1.00 0.00 C ATOM 667 NE ARG A 56 -10.506 -6.099 -5.745 1.00 0.00 N ATOM 668 CZ ARG A 56 -11.199 -7.031 -6.397 1.00 0.00 C ATOM 669 NH1 ARG A 56 -10.635 -8.190 -6.711 1.00 0.00 N ATOM 670 NH2 ARG A 56 -12.464 -6.806 -6.721 1.00 0.00 N ATOM 0 H ARG A 56 -7.190 -7.155 -1.500 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.950 -6.086 -1.276 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.876 -8.047 -3.330 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.450 -7.278 -3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.321 -5.051 -3.612 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.782 -5.881 -3.733 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.514 -5.497 -5.974 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.733 -7.209 -5.672 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.994 -5.246 -5.471 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.665 -8.372 -6.453 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.171 -8.899 -7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.905 -5.921 -6.471 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.997 -7.518 -7.220 1.00 0.00 H new ATOM 684 N ASN A 57 -10.864 -8.619 -0.994 1.00 0.00 N ATOM 685 CA ASN A 57 -11.358 -9.827 -0.325 1.00 0.00 C ATOM 686 C ASN A 57 -11.325 -9.664 1.187 1.00 0.00 C ATOM 687 O ASN A 57 -10.854 -10.542 1.915 1.00 0.00 O ATOM 688 CB ASN A 57 -10.545 -11.053 -0.744 1.00 0.00 C ATOM 689 CG ASN A 57 -10.818 -11.470 -2.178 1.00 0.00 C ATOM 690 OD1 ASN A 57 -11.922 -11.289 -2.690 1.00 0.00 O ATOM 691 ND2 ASN A 57 -9.812 -12.012 -2.844 1.00 0.00 N ATOM 0 H ASN A 57 -11.539 -8.188 -1.625 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.393 -9.977 -0.632 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.483 -10.838 -0.628 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.777 -11.884 -0.077 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -9.938 -12.296 -3.816 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.911 -12.146 -2.386 1.00 0.00 H new ATOM 698 N GLY A 58 -11.819 -8.526 1.649 1.00 0.00 N ATOM 699 CA GLY A 58 -11.869 -8.255 3.070 1.00 0.00 C ATOM 700 C GLY A 58 -13.011 -8.978 3.760 1.00 0.00 C ATOM 701 O GLY A 58 -13.533 -9.957 3.223 1.00 0.00 O ATOM 0 H GLY A 58 -12.189 -7.780 1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.925 -8.554 3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.974 -7.182 3.228 1.00 0.00 H new ATOM 705 N PRO A 59 -13.426 -8.487 4.948 1.00 0.00 N ATOM 706 CA PRO A 59 -14.440 -9.125 5.800 1.00 0.00 C ATOM 707 C PRO A 59 -15.589 -9.770 5.025 1.00 0.00 C ATOM 708 O PRO A 59 -15.798 -10.982 5.101 1.00 0.00 O ATOM 709 CB PRO A 59 -14.960 -7.958 6.625 1.00 0.00 C ATOM 710 CG PRO A 59 -13.815 -7.012 6.744 1.00 0.00 C ATOM 711 CD PRO A 59 -12.908 -7.253 5.564 1.00 0.00 C ATOM 0 HA PRO A 59 -14.014 -9.948 6.374 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.812 -7.483 6.139 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.297 -8.291 7.607 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.168 -5.981 6.753 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.279 -7.173 7.679 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.936 -6.418 4.864 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.871 -7.371 5.878 1.00 0.00 H new ATOM 719 N ASN A 60 -16.321 -8.963 4.272 1.00 0.00 N ATOM 720 CA ASN A 60 -17.417 -9.473 3.462 1.00 0.00 C ATOM 721 C ASN A 60 -17.303 -8.948 2.037 1.00 0.00 C ATOM 722 O ASN A 60 -18.105 -8.124 1.595 1.00 0.00 O ATOM 723 CB ASN A 60 -18.765 -9.076 4.069 1.00 0.00 C ATOM 724 CG ASN A 60 -19.937 -9.751 3.379 1.00 0.00 C ATOM 725 OD1 ASN A 60 -19.827 -10.880 2.901 1.00 0.00 O ATOM 726 ND2 ASN A 60 -21.066 -9.062 3.324 1.00 0.00 N ATOM 0 H ASN A 60 -16.177 -7.955 4.205 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.357 -10.561 3.442 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.773 -9.335 5.128 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -18.884 -7.994 4.005 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -21.888 -9.464 2.873 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.114 -8.129 3.733 1.00 0.00 H new ATOM 733 N GLY A 61 -16.277 -9.408 1.334 1.00 0.00 N ATOM 734 CA GLY A 61 -16.040 -8.954 -0.025 1.00 0.00 C ATOM 735 C GLY A 61 -15.639 -7.496 -0.062 1.00 0.00 C ATOM 736 O GLY A 61 -15.808 -6.812 -1.075 1.00 0.00 O ATOM 0 H GLY A 61 -15.602 -10.090 1.680 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.256 -9.559 -0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.941 -9.099 -0.620 1.00 0.00 H new ATOM 740 N ALA A 62 -15.116 -7.024 1.060 1.00 0.00 N ATOM 741 CA ALA A 62 -14.729 -5.632 1.206 1.00 0.00 C ATOM 742 C ALA A 62 -13.387 -5.361 0.553 1.00 0.00 C ATOM 743 O ALA A 62 -12.654 -6.287 0.196 1.00 0.00 O ATOM 744 CB ALA A 62 -14.695 -5.253 2.679 1.00 0.00 C ATOM 0 H ALA A 62 -14.949 -7.593 1.890 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.472 -5.016 0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.404 -4.207 2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.684 -5.398 3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.973 -5.882 3.200 1.00 0.00 H new ATOM 750 N GLU A 63 -13.076 -4.086 0.409 1.00 0.00 N ATOM 751 CA GLU A 63 -11.869 -3.654 -0.263 1.00 0.00 C ATOM 752 C GLU A 63 -11.283 -2.440 0.429 1.00 0.00 C ATOM 753 O GLU A 63 -12.011 -1.584 0.932 1.00 0.00 O ATOM 754 CB GLU A 63 -12.173 -3.330 -1.721 1.00 0.00 C ATOM 755 CG GLU A 63 -12.209 -4.549 -2.618 1.00 0.00 C ATOM 756 CD GLU A 63 -12.701 -4.229 -4.010 1.00 0.00 C ATOM 757 OE1 GLU A 63 -13.930 -4.228 -4.224 1.00 0.00 O ATOM 758 OE2 GLU A 63 -11.862 -3.975 -4.899 1.00 0.00 O ATOM 0 H GLU A 63 -13.655 -3.321 0.756 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.139 -4.462 -0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.134 -2.819 -1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.420 -2.636 -2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.210 -4.980 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.856 -5.305 -2.172 1.00 0.00 H new ATOM 765 N GLY A 64 -9.971 -2.387 0.463 1.00 0.00 N ATOM 766 CA GLY A 64 -9.282 -1.270 1.058 1.00 0.00 C ATOM 767 C GLY A 64 -8.118 -0.831 0.204 1.00 0.00 C ATOM 768 O GLY A 64 -7.642 -1.595 -0.638 1.00 0.00 O ATOM 0 H GLY A 64 -9.359 -3.109 0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.975 -0.439 1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.925 -1.546 2.050 1.00 0.00 H new ATOM 772 N TYR A 65 -7.662 0.392 0.398 1.00 0.00 N ATOM 773 CA TYR A 65 -6.554 0.909 -0.381 1.00 0.00 C ATOM 774 C TYR A 65 -5.728 1.886 0.441 1.00 0.00 C ATOM 775 O TYR A 65 -6.199 2.966 0.796 1.00 0.00 O ATOM 776 CB TYR A 65 -7.069 1.586 -1.653 1.00 0.00 C ATOM 777 CG TYR A 65 -5.968 2.031 -2.581 1.00 0.00 C ATOM 778 CD1 TYR A 65 -4.906 1.190 -2.872 1.00 0.00 C ATOM 779 CD2 TYR A 65 -5.984 3.290 -3.161 1.00 0.00 C ATOM 780 CE1 TYR A 65 -3.891 1.585 -3.713 1.00 0.00 C ATOM 781 CE2 TYR A 65 -4.972 3.694 -4.009 1.00 0.00 C ATOM 782 CZ TYR A 65 -3.928 2.837 -4.279 1.00 0.00 C ATOM 783 OH TYR A 65 -2.919 3.230 -5.123 1.00 0.00 O ATOM 0 H TYR A 65 -8.040 1.044 1.086 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.914 0.073 -0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.724 0.895 -2.184 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.673 2.450 -1.377 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.874 0.205 -2.430 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.800 3.965 -2.946 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.071 0.916 -3.927 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.999 4.676 -4.458 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.409 2.444 -5.411 1.00 0.00 H new ATOM 793 N TRP A 66 -4.498 1.499 0.739 1.00 0.00 N ATOM 794 CA TRP A 66 -3.605 2.339 1.520 1.00 0.00 C ATOM 795 C TRP A 66 -2.380 2.699 0.694 1.00 0.00 C ATOM 796 O TRP A 66 -1.797 1.851 0.017 1.00 0.00 O ATOM 797 CB TRP A 66 -3.172 1.656 2.826 1.00 0.00 C ATOM 798 CG TRP A 66 -4.293 1.391 3.789 1.00 0.00 C ATOM 799 CD1 TRP A 66 -4.606 2.118 4.901 1.00 0.00 C ATOM 800 CD2 TRP A 66 -5.238 0.316 3.734 1.00 0.00 C ATOM 801 NE1 TRP A 66 -5.692 1.569 5.534 1.00 0.00 N ATOM 802 CE2 TRP A 66 -6.098 0.460 4.838 1.00 0.00 C ATOM 803 CE3 TRP A 66 -5.444 -0.752 2.857 1.00 0.00 C ATOM 804 CZ2 TRP A 66 -7.144 -0.424 5.088 1.00 0.00 C ATOM 805 CZ3 TRP A 66 -6.481 -1.628 3.106 1.00 0.00 C ATOM 806 CH2 TRP A 66 -7.320 -1.459 4.212 1.00 0.00 C ATOM 0 H TRP A 66 -4.095 0.607 0.451 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.150 3.245 1.785 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.686 0.711 2.584 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -2.426 2.280 3.318 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -4.076 2.998 5.234 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -6.127 1.928 6.384 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.803 -0.890 1.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -7.792 -0.297 5.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -6.647 -2.458 2.435 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -8.124 -2.161 4.378 1.00 0.00 H new ATOM 817 N VAL A 67 -2.016 3.961 0.743 1.00 0.00 N ATOM 818 CA VAL A 67 -0.876 4.466 0.005 1.00 0.00 C ATOM 819 C VAL A 67 0.302 4.702 0.938 1.00 0.00 C ATOM 820 O VAL A 67 0.205 5.484 1.883 1.00 0.00 O ATOM 821 CB VAL A 67 -1.235 5.781 -0.723 1.00 0.00 C ATOM 822 CG1 VAL A 67 0.015 6.517 -1.169 1.00 0.00 C ATOM 823 CG2 VAL A 67 -2.138 5.504 -1.912 1.00 0.00 C ATOM 0 H VAL A 67 -2.501 4.668 1.295 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.597 3.717 -0.737 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.771 6.418 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.267 7.438 -1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.626 6.756 -0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.585 5.886 -1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.380 6.442 -2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.627 4.842 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.057 5.029 -1.568 1.00 0.00 H new ATOM 833 N ILE A 68 1.402 4.015 0.676 1.00 0.00 N ATOM 834 CA ILE A 68 2.614 4.180 1.459 1.00 0.00 C ATOM 835 C ILE A 68 3.528 5.183 0.771 1.00 0.00 C ATOM 836 O ILE A 68 4.207 4.854 -0.205 1.00 0.00 O ATOM 837 CB ILE A 68 3.397 2.856 1.658 1.00 0.00 C ATOM 838 CG1 ILE A 68 2.508 1.733 2.205 1.00 0.00 C ATOM 839 CG2 ILE A 68 4.574 3.081 2.599 1.00 0.00 C ATOM 840 CD1 ILE A 68 1.653 1.060 1.156 1.00 0.00 C ATOM 0 H ILE A 68 1.479 3.333 -0.079 1.00 0.00 H new ATOM 0 HA ILE A 68 2.305 4.531 2.443 1.00 0.00 H new ATOM 0 HB ILE A 68 3.759 2.545 0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.140 0.983 2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.860 2.142 2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.117 2.145 2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.241 3.831 2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.207 3.428 3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.054 0.278 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.994 1.797 0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.294 0.620 0.392 1.00 0.00 H new ATOM 852 N ASN A 69 3.533 6.409 1.262 1.00 0.00 N ATOM 853 CA ASN A 69 4.361 7.447 0.674 1.00 0.00 C ATOM 854 C ASN A 69 5.755 7.410 1.287 1.00 0.00 C ATOM 855 O ASN A 69 5.992 7.952 2.368 1.00 0.00 O ATOM 856 CB ASN A 69 3.721 8.829 0.877 1.00 0.00 C ATOM 857 CG ASN A 69 4.473 9.953 0.173 1.00 0.00 C ATOM 858 OD1 ASN A 69 5.700 9.926 0.041 1.00 0.00 O ATOM 859 ND2 ASN A 69 3.738 10.951 -0.289 1.00 0.00 N ATOM 0 H ASN A 69 2.976 6.710 2.062 1.00 0.00 H new ATOM 0 HA ASN A 69 4.443 7.264 -0.397 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.695 8.803 0.511 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.673 9.046 1.944 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.183 11.731 -0.772 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.726 10.940 -0.162 1.00 0.00 H new ATOM 866 N ALA A 70 6.669 6.763 0.586 1.00 0.00 N ATOM 867 CA ALA A 70 8.070 6.753 0.965 1.00 0.00 C ATOM 868 C ALA A 70 8.820 7.790 0.141 1.00 0.00 C ATOM 869 O ALA A 70 9.996 8.060 0.368 1.00 0.00 O ATOM 870 CB ALA A 70 8.661 5.371 0.755 1.00 0.00 C ATOM 0 H ALA A 70 6.462 6.231 -0.259 1.00 0.00 H new ATOM 0 HA ALA A 70 8.163 7.003 2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.712 5.377 1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.121 4.648 1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.574 5.094 -0.296 1.00 0.00 H new ATOM 876 N LYS A 71 8.102 8.368 -0.820 1.00 0.00 N ATOM 877 CA LYS A 71 8.628 9.396 -1.710 1.00 0.00 C ATOM 878 C LYS A 71 9.211 10.558 -0.914 1.00 0.00 C ATOM 879 O LYS A 71 10.340 10.985 -1.148 1.00 0.00 O ATOM 880 CB LYS A 71 7.495 9.896 -2.603 1.00 0.00 C ATOM 881 CG LYS A 71 7.861 11.046 -3.514 1.00 0.00 C ATOM 882 CD LYS A 71 6.744 12.070 -3.538 1.00 0.00 C ATOM 883 CE LYS A 71 7.087 13.250 -4.419 1.00 0.00 C ATOM 884 NZ LYS A 71 6.040 14.300 -4.355 1.00 0.00 N ATOM 0 H LYS A 71 7.127 8.131 -1.003 1.00 0.00 H new ATOM 0 HA LYS A 71 9.427 8.970 -2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.141 9.066 -3.214 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.662 10.204 -1.970 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.784 11.512 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.047 10.676 -4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.828 11.601 -3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.547 12.418 -2.524 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.044 13.670 -4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.204 12.914 -5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.307 15.094 -4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.132 13.905 -4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.946 14.637 -3.376 1.00 0.00 H new ATOM 898 N GLU A 72 8.431 11.041 0.042 1.00 0.00 N ATOM 899 CA GLU A 72 8.832 12.164 0.878 1.00 0.00 C ATOM 900 C GLU A 72 9.771 11.709 1.992 1.00 0.00 C ATOM 901 O GLU A 72 10.164 12.494 2.855 1.00 0.00 O ATOM 902 CB GLU A 72 7.593 12.816 1.478 1.00 0.00 C ATOM 903 CG GLU A 72 6.605 13.320 0.436 1.00 0.00 C ATOM 904 CD GLU A 72 7.111 14.523 -0.336 1.00 0.00 C ATOM 905 OE1 GLU A 72 7.908 14.347 -1.279 1.00 0.00 O ATOM 906 OE2 GLU A 72 6.705 15.658 -0.001 1.00 0.00 O ATOM 0 H GLU A 72 7.507 10.668 0.260 1.00 0.00 H new ATOM 0 HA GLU A 72 9.365 12.886 0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.091 12.096 2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.901 13.650 2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.383 12.515 -0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.669 13.581 0.929 1.00 0.00 H new ATOM 913 N GLY A 73 10.112 10.431 1.971 1.00 0.00 N ATOM 914 CA GLY A 73 10.997 9.870 2.976 1.00 0.00 C ATOM 915 C GLY A 73 10.262 9.540 4.256 1.00 0.00 C ATOM 916 O GLY A 73 10.877 9.264 5.287 1.00 0.00 O ATOM 0 H GLY A 73 9.790 9.764 1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.465 8.967 2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.798 10.578 3.190 1.00 0.00 H new ATOM 920 N LYS A 74 8.941 9.573 4.187 1.00 0.00 N ATOM 921 CA LYS A 74 8.106 9.320 5.350 1.00 0.00 C ATOM 922 C LYS A 74 7.914 7.824 5.563 1.00 0.00 C ATOM 923 O LYS A 74 8.286 7.285 6.602 1.00 0.00 O ATOM 924 CB LYS A 74 6.744 10.003 5.183 1.00 0.00 C ATOM 925 CG LYS A 74 6.832 11.508 4.969 1.00 0.00 C ATOM 926 CD LYS A 74 7.480 12.217 6.151 1.00 0.00 C ATOM 927 CE LYS A 74 6.602 12.169 7.391 1.00 0.00 C ATOM 928 NZ LYS A 74 7.299 12.719 8.581 1.00 0.00 N ATOM 0 H LYS A 74 8.421 9.774 3.332 1.00 0.00 H new ATOM 0 HA LYS A 74 8.607 9.733 6.226 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.225 9.555 4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.139 9.806 6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.406 11.712 4.065 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.832 11.910 4.809 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.442 11.754 6.369 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.679 13.256 5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.688 12.735 7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.306 11.139 7.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.668 12.669 9.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.158 12.164 8.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.559 13.710 8.404 1.00 0.00 H new ATOM 942 N GLY A 75 7.346 7.156 4.571 1.00 0.00 N ATOM 943 CA GLY A 75 7.004 5.760 4.735 1.00 0.00 C ATOM 944 C GLY A 75 5.680 5.616 5.449 1.00 0.00 C ATOM 945 O GLY A 75 5.475 4.686 6.226 1.00 0.00 O ATOM 0 H GLY A 75 7.117 7.553 3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.952 5.276 3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.785 5.253 5.301 1.00 0.00 H new ATOM 949 N LYS A 76 4.784 6.559 5.184 1.00 0.00 N ATOM 950 CA LYS A 76 3.495 6.614 5.854 1.00 0.00 C ATOM 951 C LYS A 76 2.425 5.979 4.976 1.00 0.00 C ATOM 952 O LYS A 76 2.482 6.096 3.754 1.00 0.00 O ATOM 953 CB LYS A 76 3.114 8.069 6.140 1.00 0.00 C ATOM 954 CG LYS A 76 2.849 8.879 4.877 1.00 0.00 C ATOM 955 CD LYS A 76 2.475 10.322 5.176 1.00 0.00 C ATOM 956 CE LYS A 76 1.259 10.424 6.085 1.00 0.00 C ATOM 957 NZ LYS A 76 0.060 9.772 5.499 1.00 0.00 N ATOM 0 H LYS A 76 4.931 7.303 4.502 1.00 0.00 H new ATOM 0 HA LYS A 76 3.567 6.067 6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.224 8.088 6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.915 8.543 6.707 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.737 8.861 4.245 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.045 8.409 4.310 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.321 10.825 5.645 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.272 10.844 4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.487 9.963 7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.040 11.474 6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.769 9.969 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.106 10.145 4.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.214 8.745 5.448 1.00 0.00 H new ATOM 971 N VAL A 77 1.447 5.321 5.584 1.00 0.00 N ATOM 972 CA VAL A 77 0.377 4.711 4.812 1.00 0.00 C ATOM 973 C VAL A 77 -0.933 5.448 5.079 1.00 0.00 C ATOM 974 O VAL A 77 -1.269 5.761 6.224 1.00 0.00 O ATOM 975 CB VAL A 77 0.230 3.184 5.084 1.00 0.00 C ATOM 976 CG1 VAL A 77 1.561 2.568 5.484 1.00 0.00 C ATOM 977 CG2 VAL A 77 -0.831 2.876 6.127 1.00 0.00 C ATOM 0 H VAL A 77 1.373 5.198 6.594 1.00 0.00 H new ATOM 0 HA VAL A 77 0.636 4.804 3.757 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.098 2.734 4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.428 1.502 5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.284 2.710 4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.927 3.049 6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.891 1.798 6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.568 3.359 7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.796 3.249 5.785 1.00 0.00 H new ATOM 987 N THR A 78 -1.643 5.767 4.016 1.00 0.00 N ATOM 988 CA THR A 78 -2.873 6.529 4.122 1.00 0.00 C ATOM 989 C THR A 78 -3.936 5.983 3.172 1.00 0.00 C ATOM 990 O THR A 78 -3.647 5.668 2.016 1.00 0.00 O ATOM 991 CB THR A 78 -2.612 8.030 3.842 1.00 0.00 C ATOM 992 OG1 THR A 78 -3.849 8.740 3.719 1.00 0.00 O ATOM 993 CG2 THR A 78 -1.766 8.226 2.586 1.00 0.00 C ATOM 0 H THR A 78 -1.388 5.509 3.063 1.00 0.00 H new ATOM 0 HA THR A 78 -3.245 6.429 5.142 1.00 0.00 H new ATOM 0 HB THR A 78 -2.055 8.431 4.689 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.667 9.687 3.544 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.603 9.291 2.420 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.805 7.727 2.713 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.285 7.800 1.727 1.00 0.00 H new ATOM 1001 N TYR A 79 -5.158 5.852 3.674 1.00 0.00 N ATOM 1002 CA TYR A 79 -6.260 5.316 2.882 1.00 0.00 C ATOM 1003 C TYR A 79 -6.648 6.318 1.801 1.00 0.00 C ATOM 1004 O TYR A 79 -6.999 7.462 2.106 1.00 0.00 O ATOM 1005 CB TYR A 79 -7.466 5.002 3.778 1.00 0.00 C ATOM 1006 CG TYR A 79 -8.506 4.115 3.121 1.00 0.00 C ATOM 1007 CD1 TYR A 79 -9.435 4.635 2.230 1.00 0.00 C ATOM 1008 CD2 TYR A 79 -8.553 2.753 3.393 1.00 0.00 C ATOM 1009 CE1 TYR A 79 -10.380 3.825 1.628 1.00 0.00 C ATOM 1010 CE2 TYR A 79 -9.495 1.937 2.795 1.00 0.00 C ATOM 1011 CZ TYR A 79 -10.406 2.476 1.913 1.00 0.00 C ATOM 1012 OH TYR A 79 -11.344 1.663 1.309 1.00 0.00 O ATOM 0 H TYR A 79 -5.412 6.110 4.628 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.938 4.388 2.410 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.113 4.518 4.689 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.938 5.938 4.077 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.419 5.691 2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.841 2.325 4.083 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.095 4.247 0.937 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.517 0.881 3.018 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.569 2.024 0.426 1.00 0.00 H new ATOM 1022 N ASN A 80 -6.583 5.874 0.545 1.00 0.00 N ATOM 1023 CA ASN A 80 -6.783 6.752 -0.608 1.00 0.00 C ATOM 1024 C ASN A 80 -5.844 7.950 -0.515 1.00 0.00 C ATOM 1025 O ASN A 80 -6.270 9.078 -0.254 1.00 0.00 O ATOM 1026 CB ASN A 80 -8.239 7.221 -0.721 1.00 0.00 C ATOM 1027 CG ASN A 80 -9.196 6.099 -1.062 1.00 0.00 C ATOM 1028 OD1 ASN A 80 -8.814 5.098 -1.670 1.00 0.00 O ATOM 1029 ND2 ASN A 80 -10.455 6.267 -0.691 1.00 0.00 N ATOM 0 H ASN A 80 -6.392 4.903 0.300 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.555 6.182 -1.508 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.543 7.676 0.222 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.308 7.995 -1.486 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.150 5.552 -0.907 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.730 7.111 -0.189 1.00 0.00 H new ATOM 1036 N GLY A 81 -4.562 7.683 -0.732 1.00 0.00 N ATOM 1037 CA GLY A 81 -3.529 8.679 -0.521 1.00 0.00 C ATOM 1038 C GLY A 81 -3.653 9.885 -1.429 1.00 0.00 C ATOM 1039 O GLY A 81 -3.338 11.003 -1.027 1.00 0.00 O ATOM 0 H GLY A 81 -4.216 6.780 -1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.563 9.011 0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.554 8.217 -0.676 1.00 0.00 H new ATOM 1043 N GLY A 82 -4.109 9.661 -2.650 1.00 0.00 N ATOM 1044 CA GLY A 82 -4.183 10.736 -3.622 1.00 0.00 C ATOM 1045 C GLY A 82 -2.871 10.911 -4.358 1.00 0.00 C ATOM 1046 O GLY A 82 -2.748 11.745 -5.255 1.00 0.00 O ATOM 0 H GLY A 82 -4.430 8.754 -2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.978 10.526 -4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.445 11.666 -3.118 1.00 0.00 H new ATOM 1050 N GLU A 83 -1.891 10.112 -3.971 1.00 0.00 N ATOM 1051 CA GLU A 83 -0.577 10.140 -4.588 1.00 0.00 C ATOM 1052 C GLU A 83 -0.522 9.141 -5.732 1.00 0.00 C ATOM 1053 O GLU A 83 -1.382 8.263 -5.836 1.00 0.00 O ATOM 1054 CB GLU A 83 0.494 9.792 -3.555 1.00 0.00 C ATOM 1055 CG GLU A 83 0.527 10.734 -2.364 1.00 0.00 C ATOM 1056 CD GLU A 83 0.786 12.168 -2.769 1.00 0.00 C ATOM 1057 OE1 GLU A 83 1.894 12.460 -3.265 1.00 0.00 O ATOM 1058 OE2 GLU A 83 -0.119 13.008 -2.605 1.00 0.00 O ATOM 0 H GLU A 83 -1.984 9.427 -3.221 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.391 11.142 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.325 8.776 -3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.470 9.801 -4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.422 10.676 -1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.302 10.410 -1.669 1.00 0.00 H new ATOM 1065 N LYS A 84 0.466 9.281 -6.600 1.00 0.00 N ATOM 1066 CA LYS A 84 0.691 8.303 -7.640 1.00 0.00 C ATOM 1067 C LYS A 84 1.732 7.276 -7.188 1.00 0.00 C ATOM 1068 O LYS A 84 2.920 7.579 -7.070 1.00 0.00 O ATOM 1069 CB LYS A 84 1.102 8.995 -8.923 1.00 0.00 C ATOM 1070 CG LYS A 84 2.385 9.763 -8.834 1.00 0.00 C ATOM 1071 CD LYS A 84 2.640 10.457 -10.137 1.00 0.00 C ATOM 1072 CE LYS A 84 3.904 11.275 -10.097 1.00 0.00 C ATOM 1073 NZ LYS A 84 3.883 12.289 -9.010 1.00 0.00 N ATOM 0 H LYS A 84 1.122 10.062 -6.602 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.236 7.764 -7.835 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.196 8.247 -9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.306 9.676 -9.224 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.330 10.492 -8.026 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.210 9.089 -8.600 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.711 9.718 -10.935 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.796 11.104 -10.376 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.759 10.613 -9.958 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.041 11.775 -11.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.649 12.976 -9.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.968 12.783 -9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.017 11.818 -8.093 1.00 0.00 H new ATOM 1087 N PRO A 85 1.292 6.047 -6.893 1.00 0.00 N ATOM 1088 CA PRO A 85 2.182 4.974 -6.468 1.00 0.00 C ATOM 1089 C PRO A 85 3.006 4.428 -7.619 1.00 0.00 C ATOM 1090 O PRO A 85 2.464 3.973 -8.630 1.00 0.00 O ATOM 1091 CB PRO A 85 1.237 3.894 -5.930 1.00 0.00 C ATOM 1092 CG PRO A 85 -0.113 4.524 -5.877 1.00 0.00 C ATOM 1093 CD PRO A 85 -0.105 5.605 -6.914 1.00 0.00 C ATOM 0 HA PRO A 85 2.905 5.321 -5.729 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.234 3.018 -6.579 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.550 3.557 -4.942 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.894 3.792 -6.083 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.314 4.934 -4.887 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.398 5.230 -7.895 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.791 6.414 -6.664 1.00 0.00 H new ATOM 1101 N ASP A 86 4.320 4.495 -7.461 1.00 0.00 N ATOM 1102 CA ASP A 86 5.250 3.940 -8.435 1.00 0.00 C ATOM 1103 C ASP A 86 5.006 2.448 -8.590 1.00 0.00 C ATOM 1104 O ASP A 86 4.979 1.919 -9.700 1.00 0.00 O ATOM 1105 CB ASP A 86 6.696 4.188 -7.996 1.00 0.00 C ATOM 1106 CG ASP A 86 7.002 5.657 -7.767 1.00 0.00 C ATOM 1107 OD1 ASP A 86 6.756 6.152 -6.644 1.00 0.00 O ATOM 1108 OD2 ASP A 86 7.494 6.324 -8.701 1.00 0.00 O ATOM 0 H ASP A 86 4.771 4.934 -6.658 1.00 0.00 H new ATOM 0 HA ASP A 86 5.087 4.433 -9.393 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.891 3.634 -7.078 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.373 3.795 -8.755 1.00 0.00 H new ATOM 1113 N VAL A 87 4.813 1.774 -7.466 1.00 0.00 N ATOM 1114 CA VAL A 87 4.488 0.359 -7.474 1.00 0.00 C ATOM 1115 C VAL A 87 3.218 0.095 -6.669 1.00 0.00 C ATOM 1116 O VAL A 87 3.085 0.533 -5.527 1.00 0.00 O ATOM 1117 CB VAL A 87 5.650 -0.515 -6.941 1.00 0.00 C ATOM 1118 CG1 VAL A 87 6.796 -0.547 -7.937 1.00 0.00 C ATOM 1119 CG2 VAL A 87 6.151 -0.026 -5.593 1.00 0.00 C ATOM 0 H VAL A 87 4.876 2.187 -6.536 1.00 0.00 H new ATOM 0 HA VAL A 87 4.319 0.078 -8.513 1.00 0.00 H new ATOM 0 HB VAL A 87 5.260 -1.524 -6.810 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.602 -1.166 -7.544 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.446 -0.964 -8.881 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.163 0.466 -8.102 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.966 -0.666 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.510 0.999 -5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.337 -0.060 -4.868 1.00 0.00 H new ATOM 1129 N THR A 88 2.271 -0.590 -7.288 1.00 0.00 N ATOM 1130 CA THR A 88 1.019 -0.934 -6.633 1.00 0.00 C ATOM 1131 C THR A 88 0.881 -2.448 -6.530 1.00 0.00 C ATOM 1132 O THR A 88 1.058 -3.151 -7.519 1.00 0.00 O ATOM 1133 CB THR A 88 -0.190 -0.360 -7.402 1.00 0.00 C ATOM 1134 OG1 THR A 88 -0.025 1.055 -7.576 1.00 0.00 O ATOM 1135 CG2 THR A 88 -1.496 -0.639 -6.663 1.00 0.00 C ATOM 0 H THR A 88 2.346 -0.921 -8.250 1.00 0.00 H new ATOM 0 HA THR A 88 1.034 -0.497 -5.634 1.00 0.00 H new ATOM 0 HB THR A 88 -0.238 -0.848 -8.376 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.793 1.416 -8.066 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.330 -0.223 -7.228 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.631 -1.715 -6.556 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.461 -0.178 -5.676 1.00 0.00 H new ATOM 1143 N PHE A 89 0.583 -2.936 -5.334 1.00 0.00 N ATOM 1144 CA PHE A 89 0.420 -4.365 -5.103 1.00 0.00 C ATOM 1145 C PHE A 89 -1.043 -4.681 -4.820 1.00 0.00 C ATOM 1146 O PHE A 89 -1.677 -4.021 -3.997 1.00 0.00 O ATOM 1147 CB PHE A 89 1.281 -4.826 -3.920 1.00 0.00 C ATOM 1148 CG PHE A 89 2.736 -4.459 -4.038 1.00 0.00 C ATOM 1149 CD1 PHE A 89 3.624 -5.284 -4.709 1.00 0.00 C ATOM 1150 CD2 PHE A 89 3.215 -3.289 -3.471 1.00 0.00 C ATOM 1151 CE1 PHE A 89 4.959 -4.948 -4.814 1.00 0.00 C ATOM 1152 CE2 PHE A 89 4.549 -2.948 -3.572 1.00 0.00 C ATOM 1153 CZ PHE A 89 5.422 -3.779 -4.245 1.00 0.00 C ATOM 0 H PHE A 89 0.448 -2.359 -4.504 1.00 0.00 H new ATOM 0 HA PHE A 89 0.742 -4.896 -5.999 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.881 -4.393 -3.003 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.197 -5.909 -3.824 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.268 -6.201 -5.155 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.536 -2.635 -2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.640 -5.599 -5.341 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.909 -2.033 -3.125 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.466 -3.515 -4.326 1.00 0.00 H new ATOM 1163 N THR A 90 -1.582 -5.667 -5.517 1.00 0.00 N ATOM 1164 CA THR A 90 -2.961 -6.080 -5.314 1.00 0.00 C ATOM 1165 C THR A 90 -3.009 -7.437 -4.611 1.00 0.00 C ATOM 1166 O THR A 90 -2.704 -8.470 -5.212 1.00 0.00 O ATOM 1167 CB THR A 90 -3.704 -6.160 -6.656 1.00 0.00 C ATOM 1168 OG1 THR A 90 -3.303 -5.062 -7.491 1.00 0.00 O ATOM 1169 CG2 THR A 90 -5.209 -6.122 -6.453 1.00 0.00 C ATOM 0 H THR A 90 -1.084 -6.198 -6.231 1.00 0.00 H new ATOM 0 HA THR A 90 -3.453 -5.337 -4.686 1.00 0.00 H new ATOM 0 HB THR A 90 -3.448 -7.105 -7.135 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.775 -5.113 -8.348 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.708 -6.180 -7.420 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.514 -6.967 -5.836 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.486 -5.192 -5.957 1.00 0.00 H new ATOM 1177 N ILE A 91 -3.387 -7.414 -3.340 1.00 0.00 N ATOM 1178 CA ILE A 91 -3.371 -8.590 -2.479 1.00 0.00 C ATOM 1179 C ILE A 91 -4.707 -8.711 -1.757 1.00 0.00 C ATOM 1180 O ILE A 91 -5.429 -7.729 -1.602 1.00 0.00 O ATOM 1181 CB ILE A 91 -2.245 -8.453 -1.424 1.00 0.00 C ATOM 1182 CG1 ILE A 91 -0.889 -8.256 -2.097 1.00 0.00 C ATOM 1183 CG2 ILE A 91 -2.204 -9.666 -0.518 1.00 0.00 C ATOM 1184 CD1 ILE A 91 0.159 -7.666 -1.180 1.00 0.00 C ATOM 0 H ILE A 91 -3.717 -6.570 -2.872 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.196 -9.475 -3.091 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.463 -7.573 -0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.534 -9.217 -2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.013 -7.604 -2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.405 -9.546 0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.158 -9.766 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.019 -10.559 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.097 -7.554 -1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.175 -6.690 -0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.311 -8.328 -0.328 1.00 0.00 H new ATOM 1196 N SER A 92 -5.037 -9.914 -1.332 1.00 0.00 N ATOM 1197 CA SER A 92 -6.229 -10.135 -0.542 1.00 0.00 C ATOM 1198 C SER A 92 -5.900 -10.066 0.945 1.00 0.00 C ATOM 1199 O SER A 92 -4.838 -10.539 1.354 1.00 0.00 O ATOM 1200 CB SER A 92 -6.839 -11.489 -0.884 1.00 0.00 C ATOM 1201 OG SER A 92 -7.087 -11.588 -2.278 1.00 0.00 O ATOM 0 H SER A 92 -4.493 -10.756 -1.522 1.00 0.00 H new ATOM 0 HA SER A 92 -6.953 -9.354 -0.774 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.165 -12.287 -0.572 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.770 -11.624 -0.333 1.00 0.00 H new ATOM 0 HG SER A 92 -7.564 -10.788 -2.583 1.00 0.00 H new ATOM 1207 N ASP A 93 -6.791 -9.465 1.731 1.00 0.00 N ATOM 1208 CA ASP A 93 -6.579 -9.268 3.175 1.00 0.00 C ATOM 1209 C ASP A 93 -6.002 -10.513 3.833 1.00 0.00 C ATOM 1210 O ASP A 93 -4.973 -10.464 4.514 1.00 0.00 O ATOM 1211 CB ASP A 93 -7.909 -8.922 3.848 1.00 0.00 C ATOM 1212 CG ASP A 93 -7.793 -8.792 5.358 1.00 0.00 C ATOM 1213 OD1 ASP A 93 -7.195 -7.807 5.834 1.00 0.00 O ATOM 1214 OD2 ASP A 93 -8.325 -9.668 6.078 1.00 0.00 O ATOM 0 H ASP A 93 -7.681 -9.099 1.392 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.866 -8.452 3.297 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.286 -7.986 3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.642 -9.693 3.610 1.00 0.00 H new ATOM 1219 N GLU A 94 -6.665 -11.627 3.572 1.00 0.00 N ATOM 1220 CA GLU A 94 -6.332 -12.912 4.166 1.00 0.00 C ATOM 1221 C GLU A 94 -4.884 -13.322 3.884 1.00 0.00 C ATOM 1222 O GLU A 94 -4.226 -13.920 4.733 1.00 0.00 O ATOM 1223 CB GLU A 94 -7.292 -13.981 3.630 1.00 0.00 C ATOM 1224 CG GLU A 94 -8.416 -13.415 2.765 1.00 0.00 C ATOM 1225 CD GLU A 94 -9.420 -14.465 2.347 1.00 0.00 C ATOM 1226 OE1 GLU A 94 -9.145 -15.213 1.388 1.00 0.00 O ATOM 1227 OE2 GLU A 94 -10.499 -14.541 2.972 1.00 0.00 O ATOM 0 H GLU A 94 -7.460 -11.666 2.934 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.436 -12.819 5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.725 -14.706 3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.728 -14.520 4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.930 -12.627 3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.987 -12.955 1.875 1.00 0.00 H new ATOM 1234 N ASP A 95 -4.385 -12.988 2.699 1.00 0.00 N ATOM 1235 CA ASP A 95 -3.047 -13.413 2.289 1.00 0.00 C ATOM 1236 C ASP A 95 -1.996 -12.388 2.689 1.00 0.00 C ATOM 1237 O ASP A 95 -0.818 -12.720 2.839 1.00 0.00 O ATOM 1238 CB ASP A 95 -2.984 -13.637 0.777 1.00 0.00 C ATOM 1239 CG ASP A 95 -4.051 -14.586 0.279 1.00 0.00 C ATOM 1240 OD1 ASP A 95 -3.844 -15.817 0.345 1.00 0.00 O ATOM 1241 OD2 ASP A 95 -5.103 -14.104 -0.194 1.00 0.00 O ATOM 0 H ASP A 95 -4.882 -12.427 2.007 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.837 -14.352 2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.090 -12.679 0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.002 -14.031 0.513 1.00 0.00 H new ATOM 1246 N VAL A 96 -2.425 -11.142 2.876 1.00 0.00 N ATOM 1247 CA VAL A 96 -1.509 -10.056 3.217 1.00 0.00 C ATOM 1248 C VAL A 96 -0.775 -10.367 4.517 1.00 0.00 C ATOM 1249 O VAL A 96 0.382 -9.992 4.697 1.00 0.00 O ATOM 1250 CB VAL A 96 -2.255 -8.700 3.359 1.00 0.00 C ATOM 1251 CG1 VAL A 96 -2.371 -8.269 4.815 1.00 0.00 C ATOM 1252 CG2 VAL A 96 -1.578 -7.609 2.546 1.00 0.00 C ATOM 0 H VAL A 96 -3.402 -10.859 2.797 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.791 -9.970 2.401 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.261 -8.852 2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.898 -7.317 4.872 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.923 -9.024 5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.374 -8.158 5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.124 -6.673 2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.553 -7.479 2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.570 -7.891 1.493 1.00 0.00 H new ATOM 1262 N VAL A 97 -1.455 -11.083 5.403 1.00 0.00 N ATOM 1263 CA VAL A 97 -0.956 -11.312 6.746 1.00 0.00 C ATOM 1264 C VAL A 97 0.290 -12.183 6.728 1.00 0.00 C ATOM 1265 O VAL A 97 1.175 -12.030 7.567 1.00 0.00 O ATOM 1266 CB VAL A 97 -2.041 -11.944 7.649 1.00 0.00 C ATOM 1267 CG1 VAL A 97 -3.337 -11.168 7.516 1.00 0.00 C ATOM 1268 CG2 VAL A 97 -2.267 -13.414 7.318 1.00 0.00 C ATOM 0 H VAL A 97 -2.358 -11.516 5.211 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.690 -10.341 7.163 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.691 -11.892 8.680 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.098 -11.618 8.154 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.174 -10.134 7.819 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.672 -11.194 6.479 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.036 -13.821 7.974 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.588 -13.508 6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.338 -13.966 7.462 1.00 0.00 H new ATOM 1278 N ASP A 98 0.378 -13.076 5.750 1.00 0.00 N ATOM 1279 CA ASP A 98 1.534 -13.933 5.624 1.00 0.00 C ATOM 1280 C ASP A 98 2.628 -13.183 4.890 1.00 0.00 C ATOM 1281 O ASP A 98 3.808 -13.368 5.161 1.00 0.00 O ATOM 1282 CB ASP A 98 1.197 -15.232 4.883 1.00 0.00 C ATOM 1283 CG ASP A 98 0.078 -16.023 5.536 1.00 0.00 C ATOM 1284 OD1 ASP A 98 0.130 -16.241 6.767 1.00 0.00 O ATOM 1285 OD2 ASP A 98 -0.850 -16.451 4.817 1.00 0.00 O ATOM 0 H ASP A 98 -0.338 -13.220 5.038 1.00 0.00 H new ATOM 0 HA ASP A 98 1.873 -14.206 6.623 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.914 -14.994 3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.090 -15.855 4.831 1.00 0.00 H new ATOM 1290 N LEU A 99 2.224 -12.310 3.976 1.00 0.00 N ATOM 1291 CA LEU A 99 3.178 -11.518 3.204 1.00 0.00 C ATOM 1292 C LEU A 99 3.916 -10.544 4.109 1.00 0.00 C ATOM 1293 O LEU A 99 5.147 -10.497 4.124 1.00 0.00 O ATOM 1294 CB LEU A 99 2.466 -10.747 2.087 1.00 0.00 C ATOM 1295 CG LEU A 99 1.984 -11.596 0.911 1.00 0.00 C ATOM 1296 CD1 LEU A 99 1.094 -10.778 -0.007 1.00 0.00 C ATOM 1297 CD2 LEU A 99 3.168 -12.151 0.135 1.00 0.00 C ATOM 0 H LEU A 99 1.245 -12.131 3.750 1.00 0.00 H new ATOM 0 HA LEU A 99 3.898 -12.202 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.608 -10.229 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.143 -9.982 1.708 1.00 0.00 H new ATOM 0 HG LEU A 99 1.404 -12.430 1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.760 -11.399 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.228 -10.421 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.654 -9.926 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.807 -12.753 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.771 -11.327 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.776 -12.771 0.794 1.00 0.00 H new ATOM 1309 N ILE A 100 3.155 -9.789 4.884 1.00 0.00 N ATOM 1310 CA ILE A 100 3.720 -8.767 5.749 1.00 0.00 C ATOM 1311 C ILE A 100 4.476 -9.395 6.922 1.00 0.00 C ATOM 1312 O ILE A 100 5.411 -8.802 7.459 1.00 0.00 O ATOM 1313 CB ILE A 100 2.623 -7.810 6.271 1.00 0.00 C ATOM 1314 CG1 ILE A 100 1.797 -7.280 5.092 1.00 0.00 C ATOM 1315 CG2 ILE A 100 3.242 -6.662 7.060 1.00 0.00 C ATOM 1316 CD1 ILE A 100 0.790 -6.212 5.465 1.00 0.00 C ATOM 0 H ILE A 100 2.139 -9.866 4.932 1.00 0.00 H new ATOM 0 HA ILE A 100 4.426 -8.188 5.154 1.00 0.00 H new ATOM 0 HB ILE A 100 1.964 -8.358 6.944 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.476 -6.876 4.341 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.270 -8.114 4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.454 -6.000 7.418 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.795 -7.061 7.910 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.921 -6.102 6.416 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.250 -5.894 4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.085 -6.615 6.192 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.310 -5.358 5.899 1.00 0.00 H new ATOM 1328 N SER A 101 4.089 -10.607 7.299 1.00 0.00 N ATOM 1329 CA SER A 101 4.743 -11.298 8.403 1.00 0.00 C ATOM 1330 C SER A 101 6.033 -11.981 7.938 1.00 0.00 C ATOM 1331 O SER A 101 6.868 -12.368 8.754 1.00 0.00 O ATOM 1332 CB SER A 101 3.792 -12.325 9.023 1.00 0.00 C ATOM 1333 OG SER A 101 4.333 -12.887 10.207 1.00 0.00 O ATOM 0 H SER A 101 3.331 -11.129 6.860 1.00 0.00 H new ATOM 0 HA SER A 101 5.006 -10.558 9.159 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.838 -11.849 9.248 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.591 -13.117 8.302 1.00 0.00 H new ATOM 0 HG SER A 101 5.307 -12.955 10.121 1.00 0.00 H new ATOM 1339 N GLY A 102 6.194 -12.119 6.627 1.00 0.00 N ATOM 1340 CA GLY A 102 7.379 -12.769 6.092 1.00 0.00 C ATOM 1341 C GLY A 102 7.199 -14.269 5.973 1.00 0.00 C ATOM 1342 O GLY A 102 8.172 -15.023 5.893 1.00 0.00 O ATOM 0 H GLY A 102 5.528 -11.794 5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.609 -12.353 5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.232 -12.556 6.737 1.00 0.00 H new ATOM 1346 N LYS A 103 5.945 -14.692 5.949 1.00 0.00 N ATOM 1347 CA LYS A 103 5.593 -16.104 5.881 1.00 0.00 C ATOM 1348 C LYS A 103 5.300 -16.525 4.449 1.00 0.00 C ATOM 1349 O LYS A 103 5.702 -17.601 4.007 1.00 0.00 O ATOM 1350 CB LYS A 103 4.356 -16.360 6.741 1.00 0.00 C ATOM 1351 CG LYS A 103 4.626 -16.301 8.237 1.00 0.00 C ATOM 1352 CD LYS A 103 3.343 -16.456 9.034 1.00 0.00 C ATOM 1353 CE LYS A 103 3.589 -16.389 10.532 1.00 0.00 C ATOM 1354 NZ LYS A 103 2.329 -16.554 11.307 1.00 0.00 N ATOM 0 H LYS A 103 5.140 -14.066 5.976 1.00 0.00 H new ATOM 0 HA LYS A 103 6.437 -16.687 6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 103 3.592 -15.625 6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 103 3.949 -17.340 6.493 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.326 -17.089 8.514 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.099 -15.351 8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.642 -15.673 8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.876 -17.409 8.786 1.00 0.00 H new ATOM 0 HE2 LYS A 103 4.297 -17.167 10.819 1.00 0.00 H new ATOM 0 HE3 LYS A 103 4.047 -15.432 10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 2.538 -16.502 12.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.663 -15.797 11.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.905 -17.478 11.087 1.00 0.00 H new ATOM 1368 N LEU A 104 4.593 -15.669 3.732 1.00 0.00 N ATOM 1369 CA LEU A 104 4.240 -15.938 2.351 1.00 0.00 C ATOM 1370 C LEU A 104 5.174 -15.189 1.409 1.00 0.00 C ATOM 1371 O LEU A 104 5.354 -13.976 1.529 1.00 0.00 O ATOM 1372 CB LEU A 104 2.776 -15.548 2.125 1.00 0.00 C ATOM 1373 CG LEU A 104 2.271 -15.546 0.677 1.00 0.00 C ATOM 1374 CD1 LEU A 104 2.460 -16.904 0.025 1.00 0.00 C ATOM 1375 CD2 LEU A 104 0.805 -15.141 0.628 1.00 0.00 C ATOM 0 H LEU A 104 4.251 -14.776 4.087 1.00 0.00 H new ATOM 0 HA LEU A 104 4.353 -17.001 2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.151 -16.231 2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.623 -14.551 2.538 1.00 0.00 H new ATOM 0 HG LEU A 104 2.860 -14.818 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.092 -16.870 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.519 -17.162 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.905 -17.657 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.461 -15.144 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.213 -15.847 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.690 -14.141 1.046 1.00 0.00 H new ATOM 1387 N ASN A 105 5.798 -15.931 0.505 1.00 0.00 N ATOM 1388 CA ASN A 105 6.686 -15.353 -0.497 1.00 0.00 C ATOM 1389 C ASN A 105 5.886 -14.548 -1.507 1.00 0.00 C ATOM 1390 O ASN A 105 4.986 -15.080 -2.159 1.00 0.00 O ATOM 1391 CB ASN A 105 7.466 -16.454 -1.228 1.00 0.00 C ATOM 1392 CG ASN A 105 8.624 -17.007 -0.420 1.00 0.00 C ATOM 1393 OD1 ASN A 105 8.466 -17.965 0.334 1.00 0.00 O ATOM 1394 ND2 ASN A 105 9.799 -16.419 -0.581 1.00 0.00 N ATOM 0 H ASN A 105 5.705 -16.945 0.444 1.00 0.00 H new ATOM 0 HA ASN A 105 7.391 -14.697 0.013 1.00 0.00 H new ATOM 0 HB2 ASN A 105 6.785 -17.268 -1.477 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.846 -16.057 -2.169 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.614 -16.759 -0.070 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.890 -15.626 -1.216 1.00 0.00 H new ATOM 1401 N PRO A 106 6.204 -13.252 -1.665 1.00 0.00 N ATOM 1402 CA PRO A 106 5.518 -12.400 -2.628 1.00 0.00 C ATOM 1403 C PRO A 106 5.798 -12.856 -4.048 1.00 0.00 C ATOM 1404 O PRO A 106 5.044 -12.562 -4.966 1.00 0.00 O ATOM 1405 CB PRO A 106 6.077 -10.995 -2.392 1.00 0.00 C ATOM 1406 CG PRO A 106 6.990 -11.086 -1.210 1.00 0.00 C ATOM 1407 CD PRO A 106 7.258 -12.540 -0.932 1.00 0.00 C ATOM 0 HA PRO A 106 4.436 -12.435 -2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.616 -10.641 -3.271 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.272 -10.285 -2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 106 7.923 -10.559 -1.409 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.535 -10.611 -0.341 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.250 -12.834 -1.276 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.214 -12.755 0.136 1.00 0.00 H new ATOM 1415 N GLN A 107 6.893 -13.585 -4.205 1.00 0.00 N ATOM 1416 CA GLN A 107 7.248 -14.183 -5.478 1.00 0.00 C ATOM 1417 C GLN A 107 6.232 -15.247 -5.876 1.00 0.00 C ATOM 1418 O GLN A 107 5.631 -15.174 -6.947 1.00 0.00 O ATOM 1419 CB GLN A 107 8.629 -14.798 -5.375 1.00 0.00 C ATOM 1420 CG GLN A 107 9.411 -14.735 -6.670 1.00 0.00 C ATOM 1421 CD GLN A 107 8.934 -15.740 -7.698 1.00 0.00 C ATOM 1422 OE1 GLN A 107 8.470 -16.827 -7.351 1.00 0.00 O ATOM 1423 NE2 GLN A 107 9.031 -15.380 -8.967 1.00 0.00 N ATOM 0 H GLN A 107 7.557 -13.777 -3.455 1.00 0.00 H new ATOM 0 HA GLN A 107 7.248 -13.408 -6.245 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.190 -14.285 -4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.533 -15.839 -5.067 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.332 -13.731 -7.087 1.00 0.00 H new ATOM 0 HG3 GLN A 107 10.466 -14.911 -6.460 1.00 0.00 H new ATOM 0 HE21 GLN A 107 9.422 -14.470 -9.210 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.715 -16.013 -9.702 1.00 0.00 H new ATOM 1432 N LYS A 108 6.039 -16.240 -5.009 1.00 0.00 N ATOM 1433 CA LYS A 108 5.079 -17.300 -5.292 1.00 0.00 C ATOM 1434 C LYS A 108 3.678 -16.719 -5.337 1.00 0.00 C ATOM 1435 O LYS A 108 2.829 -17.182 -6.092 1.00 0.00 O ATOM 1436 CB LYS A 108 5.151 -18.435 -4.256 1.00 0.00 C ATOM 1437 CG LYS A 108 4.487 -18.120 -2.919 1.00 0.00 C ATOM 1438 CD LYS A 108 3.444 -19.166 -2.535 1.00 0.00 C ATOM 1439 CE LYS A 108 2.089 -18.890 -3.177 1.00 0.00 C ATOM 1440 NZ LYS A 108 1.070 -19.900 -2.778 1.00 0.00 N ATOM 0 H LYS A 108 6.528 -16.331 -4.118 1.00 0.00 H new ATOM 0 HA LYS A 108 5.331 -17.731 -6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 108 4.683 -19.324 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 108 6.198 -18.680 -4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.248 -18.065 -2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.014 -17.139 -2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.793 -20.153 -2.838 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.333 -19.186 -1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 108 1.747 -17.896 -2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.195 -18.890 -4.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.163 -19.677 -3.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.384 -20.846 -3.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.950 -19.883 -1.745 1.00 0.00 H new ATOM 1454 N ALA A 109 3.445 -15.688 -4.532 1.00 0.00 N ATOM 1455 CA ALA A 109 2.157 -15.019 -4.525 1.00 0.00 C ATOM 1456 C ALA A 109 1.934 -14.309 -5.855 1.00 0.00 C ATOM 1457 O ALA A 109 0.832 -14.322 -6.398 1.00 0.00 O ATOM 1458 CB ALA A 109 2.073 -14.045 -3.366 1.00 0.00 C ATOM 0 H ALA A 109 4.129 -15.302 -3.881 1.00 0.00 H new ATOM 0 HA ALA A 109 1.370 -15.762 -4.395 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.101 -13.552 -3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.197 -14.585 -2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.860 -13.297 -3.461 1.00 0.00 H new ATOM 1464 N PHE A 110 2.999 -13.710 -6.375 1.00 0.00 N ATOM 1465 CA PHE A 110 2.974 -13.069 -7.684 1.00 0.00 C ATOM 1466 C PHE A 110 2.550 -14.077 -8.747 1.00 0.00 C ATOM 1467 O PHE A 110 1.606 -13.847 -9.501 1.00 0.00 O ATOM 1468 CB PHE A 110 4.367 -12.510 -8.016 1.00 0.00 C ATOM 1469 CG PHE A 110 4.477 -11.819 -9.352 1.00 0.00 C ATOM 1470 CD1 PHE A 110 4.753 -12.541 -10.504 1.00 0.00 C ATOM 1471 CD2 PHE A 110 4.321 -10.447 -9.453 1.00 0.00 C ATOM 1472 CE1 PHE A 110 4.866 -11.907 -11.725 1.00 0.00 C ATOM 1473 CE2 PHE A 110 4.435 -9.806 -10.672 1.00 0.00 C ATOM 1474 CZ PHE A 110 4.706 -10.538 -11.809 1.00 0.00 C ATOM 0 H PHE A 110 3.901 -13.655 -5.903 1.00 0.00 H new ATOM 0 HA PHE A 110 2.256 -12.249 -7.667 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.654 -11.806 -7.235 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.086 -13.329 -7.987 1.00 0.00 H new ATOM 0 HD1 PHE A 110 4.881 -13.612 -10.445 1.00 0.00 H new ATOM 0 HD2 PHE A 110 4.107 -9.869 -8.566 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.079 -12.481 -12.614 1.00 0.00 H new ATOM 0 HE2 PHE A 110 4.312 -8.735 -10.734 1.00 0.00 H new ATOM 0 HZ PHE A 110 4.793 -10.041 -12.764 1.00 0.00 H new ATOM 1484 N PHE A 111 3.251 -15.204 -8.768 1.00 0.00 N ATOM 1485 CA PHE A 111 3.005 -16.263 -9.741 1.00 0.00 C ATOM 1486 C PHE A 111 1.585 -16.814 -9.623 1.00 0.00 C ATOM 1487 O PHE A 111 0.913 -17.050 -10.626 1.00 0.00 O ATOM 1488 CB PHE A 111 4.014 -17.396 -9.537 1.00 0.00 C ATOM 1489 CG PHE A 111 3.875 -18.518 -10.526 1.00 0.00 C ATOM 1490 CD1 PHE A 111 4.476 -18.439 -11.769 1.00 0.00 C ATOM 1491 CD2 PHE A 111 3.143 -19.653 -10.211 1.00 0.00 C ATOM 1492 CE1 PHE A 111 4.353 -19.467 -12.680 1.00 0.00 C ATOM 1493 CE2 PHE A 111 3.016 -20.684 -11.119 1.00 0.00 C ATOM 1494 CZ PHE A 111 3.622 -20.591 -12.356 1.00 0.00 C ATOM 0 H PHE A 111 4.005 -15.410 -8.113 1.00 0.00 H new ATOM 0 HA PHE A 111 3.121 -15.837 -10.738 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.023 -16.988 -9.604 1.00 0.00 H new ATOM 0 HB3 PHE A 111 3.898 -17.796 -8.530 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.049 -17.561 -12.030 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.667 -19.731 -9.245 1.00 0.00 H new ATOM 0 HE1 PHE A 111 4.829 -19.392 -13.647 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.443 -21.563 -10.862 1.00 0.00 H new ATOM 0 HZ PHE A 111 3.524 -21.397 -13.069 1.00 0.00 H new ATOM 1504 N GLN A 112 1.139 -17.018 -8.393 1.00 0.00 N ATOM 1505 CA GLN A 112 -0.157 -17.627 -8.136 1.00 0.00 C ATOM 1506 C GLN A 112 -1.310 -16.650 -8.384 1.00 0.00 C ATOM 1507 O GLN A 112 -2.470 -17.058 -8.430 1.00 0.00 O ATOM 1508 CB GLN A 112 -0.191 -18.170 -6.705 1.00 0.00 C ATOM 1509 CG GLN A 112 0.682 -19.404 -6.506 1.00 0.00 C ATOM 1510 CD GLN A 112 0.162 -20.629 -7.241 1.00 0.00 C ATOM 1511 OE1 GLN A 112 -0.483 -20.527 -8.284 1.00 0.00 O ATOM 1512 NE2 GLN A 112 0.445 -21.804 -6.702 1.00 0.00 N ATOM 0 H GLN A 112 1.660 -16.769 -7.552 1.00 0.00 H new ATOM 0 HA GLN A 112 -0.293 -18.451 -8.836 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.136 -17.388 -6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -1.220 -18.415 -6.441 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.693 -19.185 -6.848 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.747 -19.627 -5.441 1.00 0.00 H new ATOM 0 HE21 GLN A 112 0.982 -21.852 -5.836 1.00 0.00 H new ATOM 0 HE22 GLN A 112 0.126 -22.662 -7.152 1.00 0.00 H new ATOM 1521 N GLY A 113 -0.990 -15.371 -8.553 1.00 0.00 N ATOM 1522 CA GLY A 113 -2.014 -14.381 -8.861 1.00 0.00 C ATOM 1523 C GLY A 113 -2.475 -13.612 -7.636 1.00 0.00 C ATOM 1524 O GLY A 113 -3.425 -12.830 -7.698 1.00 0.00 O ATOM 0 H GLY A 113 -0.043 -15.000 -8.483 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.625 -13.680 -9.599 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.870 -14.880 -9.315 1.00 0.00 H new ATOM 1528 N LYS A 114 -1.791 -13.826 -6.525 1.00 0.00 N ATOM 1529 CA LYS A 114 -2.128 -13.166 -5.272 1.00 0.00 C ATOM 1530 C LYS A 114 -1.436 -11.821 -5.171 1.00 0.00 C ATOM 1531 O LYS A 114 -1.777 -10.996 -4.327 1.00 0.00 O ATOM 1532 CB LYS A 114 -1.726 -14.045 -4.091 1.00 0.00 C ATOM 1533 CG LYS A 114 -2.567 -15.300 -3.958 1.00 0.00 C ATOM 1534 CD LYS A 114 -3.754 -15.099 -3.027 1.00 0.00 C ATOM 1535 CE LYS A 114 -4.678 -13.971 -3.472 1.00 0.00 C ATOM 1536 NZ LYS A 114 -5.962 -14.014 -2.727 1.00 0.00 N ATOM 0 H LYS A 114 -0.992 -14.457 -6.464 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.206 -13.005 -5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.679 -14.328 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.806 -13.464 -3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.926 -15.601 -4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.946 -16.114 -3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.324 -16.026 -2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.388 -14.886 -2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.190 -13.010 -3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -4.870 -14.053 -4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.442 -13.095 -2.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.569 -14.759 -3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.775 -14.218 -1.725 1.00 0.00 H new ATOM 1550 N ILE A 115 -0.462 -11.612 -6.034 1.00 0.00 N ATOM 1551 CA ILE A 115 0.272 -10.367 -6.063 1.00 0.00 C ATOM 1552 C ILE A 115 0.319 -9.814 -7.486 1.00 0.00 C ATOM 1553 O ILE A 115 0.916 -10.397 -8.392 1.00 0.00 O ATOM 1554 CB ILE A 115 1.684 -10.546 -5.434 1.00 0.00 C ATOM 1555 CG1 ILE A 115 1.717 -9.922 -4.051 1.00 0.00 C ATOM 1556 CG2 ILE A 115 2.778 -9.919 -6.265 1.00 0.00 C ATOM 1557 CD1 ILE A 115 2.828 -10.446 -3.185 1.00 0.00 C ATOM 0 H ILE A 115 -0.160 -12.295 -6.729 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.246 -9.628 -5.452 1.00 0.00 H new ATOM 0 HB ILE A 115 1.868 -11.619 -5.385 1.00 0.00 H new ATOM 0 HG12 ILE A 115 1.823 -8.842 -4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.763 -10.104 -3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.740 -10.075 -5.777 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.793 -10.379 -7.253 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.591 -8.850 -6.365 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.792 -9.957 -2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.712 -11.522 -3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.787 -10.240 -3.659 1.00 0.00 H new ATOM 1569 N LYS A 116 -0.413 -8.729 -7.678 1.00 0.00 N ATOM 1570 CA LYS A 116 -0.393 -7.975 -8.907 1.00 0.00 C ATOM 1571 C LYS A 116 0.306 -6.650 -8.644 1.00 0.00 C ATOM 1572 O LYS A 116 -0.213 -5.802 -7.916 1.00 0.00 O ATOM 1573 CB LYS A 116 -1.831 -7.763 -9.372 1.00 0.00 C ATOM 1574 CG LYS A 116 -2.024 -6.588 -10.304 1.00 0.00 C ATOM 1575 CD LYS A 116 -1.499 -6.879 -11.699 1.00 0.00 C ATOM 1576 CE LYS A 116 -1.796 -5.734 -12.652 1.00 0.00 C ATOM 1577 NZ LYS A 116 -1.453 -6.075 -14.057 1.00 0.00 N ATOM 0 H LYS A 116 -1.043 -8.348 -6.972 1.00 0.00 H new ATOM 0 HA LYS A 116 0.147 -8.505 -9.691 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.174 -8.668 -9.873 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.465 -7.624 -8.497 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.084 -6.339 -10.360 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.512 -5.715 -9.898 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.423 -7.049 -11.656 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -1.952 -7.796 -12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.853 -5.475 -12.590 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -1.233 -4.852 -12.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -1.671 -5.266 -14.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.439 -6.297 -14.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -2.008 -6.901 -14.359 1.00 0.00 H new ATOM 1591 N ILE A 117 1.492 -6.491 -9.199 1.00 0.00 N ATOM 1592 CA ILE A 117 2.328 -5.347 -8.886 1.00 0.00 C ATOM 1593 C ILE A 117 2.749 -4.595 -10.149 1.00 0.00 C ATOM 1594 O ILE A 117 3.193 -5.190 -11.133 1.00 0.00 O ATOM 1595 CB ILE A 117 3.551 -5.789 -8.027 1.00 0.00 C ATOM 1596 CG1 ILE A 117 4.855 -5.115 -8.443 1.00 0.00 C ATOM 1597 CG2 ILE A 117 3.717 -7.297 -8.049 1.00 0.00 C ATOM 1598 CD1 ILE A 117 4.990 -3.686 -7.969 1.00 0.00 C ATOM 0 H ILE A 117 1.900 -7.141 -9.871 1.00 0.00 H new ATOM 0 HA ILE A 117 1.742 -4.645 -8.292 1.00 0.00 H new ATOM 0 HB ILE A 117 3.333 -5.463 -7.010 1.00 0.00 H new ATOM 0 HG12 ILE A 117 5.692 -5.696 -8.055 1.00 0.00 H new ATOM 0 HG13 ILE A 117 4.931 -5.135 -9.530 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.578 -7.577 -7.442 1.00 0.00 H new ATOM 0 HG22 ILE A 117 2.820 -7.768 -7.646 1.00 0.00 H new ATOM 0 HG23 ILE A 117 3.873 -7.631 -9.075 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.944 -3.279 -8.306 1.00 0.00 H new ATOM 0 HD12 ILE A 117 4.176 -3.088 -8.379 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.948 -3.658 -6.880 1.00 0.00 H new