USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 714 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 17 HIS : no HE2:sc= -15.1! C(o=-17!,f=-18!) USER MOD Set 1.2: A 30 TYR OH : rot 150:sc= -1.91! USER MOD Set 2.1: A 14 SER OG : rot 58:sc= 0.688 USER MOD Set 2.2: A 18 GLN : amide:sc= 0 X(o=0.69,f=0.69) USER MOD Single : A 1 LYS N :NH3+ -142:sc= 0.0631 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 153:sc= 0.0317 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.031 X(o=-0.031,f=0) USER MOD Single : A 9 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.077) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 166:sc= 0.0451 (180deg=-0.0704) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.3 X(o=-2.3,f=-2.6!) USER MOD Single : A 40 CYS SG : rot 77:sc= -0.808! USER MOD Single : A 42 THR OG1 : rot -130:sc= 1.41 USER MOD Single : A 47 TYR OH : rot -50:sc= -8.13! USER MOD Single : A 55 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.26) USER MOD Single : A 58 GLN : amide:sc= -0.261 K(o=-0.26,f=-1.1) USER MOD Single : A 59 SER OG : rot 150:sc= -4.22! USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.58) USER MOD Single : A 61 GLN : amide:sc= -0.376 K(o=-0.38,f=-3.5!) USER MOD Single : A 63 THR OG1 : rot -30:sc= -3.18! USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 69 SER OG : rot 168:sc= -2.45! USER MOD Single : A 72 GLN :FLIP amide:sc= -0.731 F(o=-1.9!,f=-0.73) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot -109:sc= -1.37 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.625 4.210 8.135 1.00 0.00 N ATOM 2 CA LYS A 1 -7.523 4.300 9.134 1.00 0.00 C ATOM 3 C LYS A 1 -6.257 4.826 8.454 1.00 0.00 C ATOM 4 O LYS A 1 -6.282 5.259 7.317 1.00 0.00 O ATOM 5 CB LYS A 1 -7.250 2.912 9.719 1.00 0.00 C ATOM 6 CG LYS A 1 -6.952 3.039 11.215 1.00 0.00 C ATOM 7 CD LYS A 1 -7.634 1.896 11.971 1.00 0.00 C ATOM 8 CE LYS A 1 -6.967 1.716 13.336 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.579 2.656 14.316 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.522 4.490 8.581 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.423 4.845 7.337 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.701 3.232 7.789 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.814 4.981 9.934 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.112 2.264 9.563 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.406 2.449 9.207 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.876 3.011 11.386 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.309 3.999 11.587 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.695 2.112 12.099 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.564 0.973 11.396 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.087 0.688 13.678 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.896 1.903 13.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.126 2.534 15.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.443 3.634 13.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.596 2.457 14.399 1.00 0.00 H new ATOM 25 N LYS A 2 -5.150 4.800 9.142 1.00 0.00 N ATOM 26 CA LYS A 2 -3.891 5.305 8.535 1.00 0.00 C ATOM 27 C LYS A 2 -2.907 4.145 8.337 1.00 0.00 C ATOM 28 O LYS A 2 -2.859 3.212 9.114 1.00 0.00 O ATOM 29 CB LYS A 2 -3.296 6.393 9.449 1.00 0.00 C ATOM 30 CG LYS A 2 -2.049 5.886 10.187 1.00 0.00 C ATOM 31 CD LYS A 2 -1.371 7.053 10.907 1.00 0.00 C ATOM 32 CE LYS A 2 -0.460 7.796 9.927 1.00 0.00 C ATOM 33 NZ LYS A 2 -0.136 9.143 10.474 1.00 0.00 N ATOM 0 H LYS A 2 -5.064 4.451 10.097 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.093 5.742 7.557 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.037 7.269 8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.045 6.711 10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.327 5.114 10.905 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.356 5.429 9.480 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.123 7.733 11.308 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.790 6.685 11.753 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.456 7.228 9.763 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.952 7.893 8.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.781 9.458 10.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.875 9.819 10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.087 9.094 11.512 1.00 0.00 H new ATOM 47 N ALA A 3 -2.120 4.212 7.303 1.00 0.00 N ATOM 48 CA ALA A 3 -1.126 3.134 7.039 1.00 0.00 C ATOM 49 C ALA A 3 0.272 3.750 6.924 1.00 0.00 C ATOM 50 O ALA A 3 0.423 4.907 6.590 1.00 0.00 O ATOM 51 CB ALA A 3 -1.480 2.425 5.730 1.00 0.00 C ATOM 0 H ALA A 3 -2.121 4.972 6.623 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.141 2.414 7.858 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.754 1.636 5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.476 1.990 5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.463 3.144 4.911 1.00 0.00 H new ATOM 57 N VAL A 4 1.296 2.988 7.199 1.00 0.00 N ATOM 58 CA VAL A 4 2.680 3.534 7.104 1.00 0.00 C ATOM 59 C VAL A 4 3.570 2.537 6.360 1.00 0.00 C ATOM 60 O VAL A 4 3.724 1.404 6.772 1.00 0.00 O ATOM 61 CB VAL A 4 3.236 3.757 8.512 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.646 4.346 8.419 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.324 4.725 9.270 1.00 0.00 C ATOM 0 H VAL A 4 1.234 2.011 7.485 1.00 0.00 H new ATOM 0 HA VAL A 4 2.662 4.481 6.564 1.00 0.00 H new ATOM 0 HB VAL A 4 3.278 2.806 9.042 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.041 4.504 9.422 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.294 3.656 7.879 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.608 5.298 7.889 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.718 4.886 10.274 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.283 5.676 8.740 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.321 4.303 9.337 1.00 0.00 H new ATOM 73 N ILE A 5 4.158 2.943 5.267 1.00 0.00 N ATOM 74 CA ILE A 5 5.033 2.004 4.507 1.00 0.00 C ATOM 75 C ILE A 5 6.498 2.250 4.867 1.00 0.00 C ATOM 76 O ILE A 5 7.145 3.122 4.322 1.00 0.00 O ATOM 77 CB ILE A 5 4.838 2.215 3.008 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.324 2.195 2.701 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.585 1.110 2.246 1.00 0.00 C ATOM 80 CD1 ILE A 5 2.983 1.165 1.614 1.00 0.00 C ATOM 0 H ILE A 5 4.071 3.878 4.869 1.00 0.00 H new ATOM 0 HA ILE A 5 4.764 0.981 4.768 1.00 0.00 H new ATOM 0 HB ILE A 5 5.242 3.176 2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.770 1.962 3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.004 3.186 2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.451 1.253 1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.647 1.155 2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.188 0.137 2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.910 1.178 1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.517 1.413 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.280 0.171 1.949 1.00 0.00 H new ATOM 92 N ASN A 6 7.027 1.482 5.775 1.00 0.00 N ATOM 93 CA ASN A 6 8.446 1.659 6.169 1.00 0.00 C ATOM 94 C ASN A 6 9.344 0.988 5.125 1.00 0.00 C ATOM 95 O ASN A 6 9.447 -0.221 5.065 1.00 0.00 O ATOM 96 CB ASN A 6 8.659 1.007 7.533 1.00 0.00 C ATOM 97 CG ASN A 6 7.658 1.583 8.536 1.00 0.00 C ATOM 98 OD1 ASN A 6 7.901 2.614 9.131 1.00 0.00 O ATOM 99 ND2 ASN A 6 6.533 0.957 8.749 1.00 0.00 N ATOM 0 H ASN A 6 6.533 0.735 6.263 1.00 0.00 H new ATOM 0 HA ASN A 6 8.695 2.719 6.227 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.532 -0.073 7.456 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.678 1.184 7.877 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.858 1.333 9.415 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.329 0.091 8.250 1.00 0.00 H new ATOM 106 N GLY A 7 9.987 1.765 4.295 1.00 0.00 N ATOM 107 CA GLY A 7 10.868 1.174 3.247 1.00 0.00 C ATOM 108 C GLY A 7 12.145 0.620 3.882 1.00 0.00 C ATOM 109 O GLY A 7 12.768 -0.280 3.357 1.00 0.00 O ATOM 0 H GLY A 7 9.940 2.784 4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.339 0.378 2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.121 1.931 2.505 1.00 0.00 H new ATOM 113 N GLU A 8 12.544 1.151 5.004 1.00 0.00 N ATOM 114 CA GLU A 8 13.785 0.652 5.661 1.00 0.00 C ATOM 115 C GLU A 8 13.539 -0.745 6.235 1.00 0.00 C ATOM 116 O GLU A 8 14.463 -1.452 6.588 1.00 0.00 O ATOM 117 CB GLU A 8 14.181 1.603 6.793 1.00 0.00 C ATOM 118 CG GLU A 8 14.171 3.043 6.278 1.00 0.00 C ATOM 119 CD GLU A 8 15.331 3.818 6.906 1.00 0.00 C ATOM 120 OE1 GLU A 8 15.594 3.605 8.078 1.00 0.00 O ATOM 121 OE2 GLU A 8 15.936 4.612 6.205 1.00 0.00 O ATOM 0 H GLU A 8 12.066 1.907 5.494 1.00 0.00 H new ATOM 0 HA GLU A 8 14.588 0.605 4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.488 1.500 7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.172 1.347 7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.259 3.052 5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.224 3.522 6.525 1.00 0.00 H new ATOM 128 N GLN A 9 12.303 -1.147 6.343 1.00 0.00 N ATOM 129 CA GLN A 9 12.002 -2.489 6.907 1.00 0.00 C ATOM 130 C GLN A 9 11.737 -3.491 5.781 1.00 0.00 C ATOM 131 O GLN A 9 12.246 -4.594 5.787 1.00 0.00 O ATOM 132 CB GLN A 9 10.763 -2.383 7.792 1.00 0.00 C ATOM 133 CG GLN A 9 11.012 -1.351 8.892 1.00 0.00 C ATOM 134 CD GLN A 9 11.527 -2.056 10.148 1.00 0.00 C ATOM 135 OE1 GLN A 9 12.530 -1.665 10.711 1.00 0.00 O ATOM 136 NE2 GLN A 9 10.877 -3.088 10.614 1.00 0.00 N ATOM 0 H GLN A 9 11.488 -0.601 6.064 1.00 0.00 H new ATOM 0 HA GLN A 9 12.855 -2.835 7.491 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.899 -2.092 7.194 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.534 -3.353 8.233 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.738 -0.612 8.554 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.091 -0.813 9.116 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.035 -3.416 10.141 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.211 -3.566 11.451 1.00 0.00 H new ATOM 145 N ILE A 10 10.929 -3.126 4.828 1.00 0.00 N ATOM 146 CA ILE A 10 10.611 -4.059 3.718 1.00 0.00 C ATOM 147 C ILE A 10 11.876 -4.694 3.152 1.00 0.00 C ATOM 148 O ILE A 10 12.909 -4.069 3.018 1.00 0.00 O ATOM 149 CB ILE A 10 9.889 -3.291 2.618 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.443 -3.089 3.035 1.00 0.00 C ATOM 151 CG2 ILE A 10 9.925 -4.071 1.297 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.786 -2.178 2.021 1.00 0.00 C ATOM 0 H ILE A 10 10.473 -2.215 4.771 1.00 0.00 H new ATOM 0 HA ILE A 10 9.976 -4.857 4.103 1.00 0.00 H new ATOM 0 HB ILE A 10 10.385 -2.332 2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.923 -4.046 3.081 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.392 -2.650 4.031 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.404 -3.504 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.961 -4.228 0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.436 -5.036 1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.744 -2.017 2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.308 -1.221 1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.832 -2.639 1.034 1.00 0.00 H new ATOM 164 N ARG A 11 11.773 -5.940 2.803 1.00 0.00 N ATOM 165 CA ARG A 11 12.917 -6.670 2.218 1.00 0.00 C ATOM 166 C ARG A 11 12.511 -7.184 0.834 1.00 0.00 C ATOM 167 O ARG A 11 13.324 -7.681 0.080 1.00 0.00 O ATOM 168 CB ARG A 11 13.259 -7.848 3.121 1.00 0.00 C ATOM 169 CG ARG A 11 14.070 -7.350 4.315 1.00 0.00 C ATOM 170 CD ARG A 11 15.520 -7.821 4.181 1.00 0.00 C ATOM 171 NE ARG A 11 16.370 -6.688 3.714 1.00 0.00 N ATOM 172 CZ ARG A 11 17.669 -6.769 3.802 1.00 0.00 C ATOM 173 NH1 ARG A 11 18.336 -7.504 2.954 1.00 0.00 N ATOM 174 NH2 ARG A 11 18.303 -6.114 4.736 1.00 0.00 N ATOM 0 H ARG A 11 10.922 -6.494 2.902 1.00 0.00 H new ATOM 0 HA ARG A 11 13.784 -6.016 2.128 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.346 -8.335 3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.828 -8.593 2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.033 -6.262 4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.639 -7.726 5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.883 -8.191 5.140 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.581 -8.650 3.476 1.00 0.00 H new ATOM 0 HE ARG A 11 15.936 -5.850 3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.841 -8.015 2.223 1.00 0.00 H new ATOM 0 HH12 ARG A 11 19.352 -7.567 3.023 1.00 0.00 H new ATOM 0 HH21 ARG A 11 17.783 -5.538 5.398 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.319 -6.178 4.804 1.00 0.00 H new ATOM 188 N SER A 12 11.250 -7.068 0.499 1.00 0.00 N ATOM 189 CA SER A 12 10.779 -7.547 -0.829 1.00 0.00 C ATOM 190 C SER A 12 9.339 -7.074 -1.061 1.00 0.00 C ATOM 191 O SER A 12 8.649 -6.652 -0.145 1.00 0.00 O ATOM 192 CB SER A 12 10.824 -9.076 -0.863 1.00 0.00 C ATOM 193 OG SER A 12 10.013 -9.592 0.185 1.00 0.00 O ATOM 0 H SER A 12 10.527 -6.660 1.092 1.00 0.00 H new ATOM 0 HA SER A 12 11.424 -7.146 -1.611 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.469 -9.441 -1.827 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.851 -9.424 -0.749 1.00 0.00 H new ATOM 0 HG SER A 12 10.038 -10.571 0.166 1.00 0.00 H new ATOM 199 N ILE A 13 8.874 -7.141 -2.278 1.00 0.00 N ATOM 200 CA ILE A 13 7.483 -6.697 -2.555 1.00 0.00 C ATOM 201 C ILE A 13 6.545 -7.374 -1.560 1.00 0.00 C ATOM 202 O ILE A 13 5.714 -6.736 -0.950 1.00 0.00 O ATOM 203 CB ILE A 13 7.085 -7.078 -3.982 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.768 -6.386 -4.354 1.00 0.00 C ATOM 205 CG2 ILE A 13 6.903 -8.593 -4.072 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.811 -4.914 -3.930 1.00 0.00 C ATOM 0 H ILE A 13 9.394 -7.482 -3.086 1.00 0.00 H new ATOM 0 HA ILE A 13 7.416 -5.614 -2.452 1.00 0.00 H new ATOM 0 HB ILE A 13 7.868 -6.761 -4.671 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.600 -6.459 -5.429 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.933 -6.889 -3.866 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.619 -8.866 -5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.838 -9.088 -3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.121 -8.907 -3.381 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.872 -4.431 -4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.957 -4.850 -2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.635 -4.413 -4.438 1.00 0.00 H new ATOM 218 N SER A 14 6.680 -8.660 -1.373 1.00 0.00 N ATOM 219 CA SER A 14 5.799 -9.354 -0.397 1.00 0.00 C ATOM 220 C SER A 14 5.786 -8.537 0.892 1.00 0.00 C ATOM 221 O SER A 14 4.749 -8.271 1.466 1.00 0.00 O ATOM 222 CB SER A 14 6.348 -10.753 -0.113 1.00 0.00 C ATOM 223 OG SER A 14 5.545 -11.380 0.879 1.00 0.00 O ATOM 0 H SER A 14 7.358 -9.254 -1.851 1.00 0.00 H new ATOM 0 HA SER A 14 4.789 -9.448 -0.797 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.349 -11.348 -1.026 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.382 -10.689 0.227 1.00 0.00 H new ATOM 0 HG SER A 14 4.615 -11.414 0.573 1.00 0.00 H new ATOM 229 N ASP A 15 6.940 -8.123 1.337 1.00 0.00 N ATOM 230 CA ASP A 15 7.019 -7.305 2.571 1.00 0.00 C ATOM 231 C ASP A 15 6.157 -6.060 2.396 1.00 0.00 C ATOM 232 O ASP A 15 5.422 -5.666 3.280 1.00 0.00 O ATOM 233 CB ASP A 15 8.466 -6.876 2.800 1.00 0.00 C ATOM 234 CG ASP A 15 8.948 -7.394 4.156 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.237 -7.202 5.128 1.00 0.00 O ATOM 236 OD2 ASP A 15 10.021 -7.974 4.199 1.00 0.00 O ATOM 0 H ASP A 15 7.837 -8.320 0.892 1.00 0.00 H new ATOM 0 HA ASP A 15 6.668 -7.888 3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.101 -7.265 2.004 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.543 -5.789 2.767 1.00 0.00 H new ATOM 241 N LEU A 16 6.242 -5.442 1.253 1.00 0.00 N ATOM 242 CA LEU A 16 5.426 -4.220 1.003 1.00 0.00 C ATOM 243 C LEU A 16 3.961 -4.550 1.266 1.00 0.00 C ATOM 244 O LEU A 16 3.288 -3.910 2.053 1.00 0.00 O ATOM 245 CB LEU A 16 5.593 -3.796 -0.457 1.00 0.00 C ATOM 246 CG LEU A 16 4.932 -2.435 -0.681 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.596 -1.389 0.213 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.098 -2.026 -2.146 1.00 0.00 C ATOM 0 H LEU A 16 6.841 -5.729 0.479 1.00 0.00 H new ATOM 0 HA LEU A 16 5.750 -3.411 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.652 -3.742 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.145 -4.541 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 16 3.872 -2.503 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.124 -0.420 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.483 -1.679 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.656 -1.321 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.628 -1.056 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.159 -1.960 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.626 -2.770 -2.787 1.00 0.00 H new ATOM 260 N HIS A 17 3.475 -5.557 0.608 1.00 0.00 N ATOM 261 CA HIS A 17 2.067 -5.974 0.789 1.00 0.00 C ATOM 262 C HIS A 17 1.867 -6.456 2.227 1.00 0.00 C ATOM 263 O HIS A 17 0.766 -6.503 2.732 1.00 0.00 O ATOM 264 CB HIS A 17 1.778 -7.104 -0.197 1.00 0.00 C ATOM 265 CG HIS A 17 2.060 -6.620 -1.592 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.264 -5.678 -2.224 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.046 -6.941 -2.492 1.00 0.00 C ATOM 268 CE1 HIS A 17 1.779 -5.468 -3.449 1.00 0.00 C ATOM 269 NE2 HIS A 17 2.866 -6.213 -3.664 1.00 0.00 N ATOM 0 H HIS A 17 4.005 -6.118 -0.059 1.00 0.00 H new ATOM 0 HA HIS A 17 1.387 -5.142 0.604 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.397 -7.972 0.033 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.739 -7.422 -0.112 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.438 -5.226 -1.832 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.841 -7.651 -2.317 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.364 -4.780 -4.171 1.00 0.00 H new ATOM 277 N GLN A 18 2.928 -6.803 2.898 1.00 0.00 N ATOM 278 CA GLN A 18 2.794 -7.262 4.299 1.00 0.00 C ATOM 279 C GLN A 18 2.390 -6.071 5.166 1.00 0.00 C ATOM 280 O GLN A 18 1.381 -6.093 5.848 1.00 0.00 O ATOM 281 CB GLN A 18 4.130 -7.825 4.786 1.00 0.00 C ATOM 282 CG GLN A 18 3.993 -9.330 5.022 1.00 0.00 C ATOM 283 CD GLN A 18 5.383 -9.966 5.085 1.00 0.00 C ATOM 284 OE1 GLN A 18 6.083 -9.829 6.068 1.00 0.00 O ATOM 285 NE2 GLN A 18 5.815 -10.663 4.069 1.00 0.00 N ATOM 0 H GLN A 18 3.881 -6.787 2.533 1.00 0.00 H new ATOM 0 HA GLN A 18 2.037 -8.043 4.364 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.909 -7.631 4.049 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.432 -7.328 5.708 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.454 -9.515 5.951 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.410 -9.783 4.220 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.228 -10.778 3.243 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.740 -11.092 4.101 1.00 0.00 H new ATOM 294 N THR A 19 3.170 -5.025 5.141 1.00 0.00 N ATOM 295 CA THR A 19 2.834 -3.834 5.953 1.00 0.00 C ATOM 296 C THR A 19 1.478 -3.294 5.484 1.00 0.00 C ATOM 297 O THR A 19 0.647 -2.910 6.278 1.00 0.00 O ATOM 298 CB THR A 19 3.953 -2.777 5.807 1.00 0.00 C ATOM 299 OG1 THR A 19 4.534 -2.542 7.081 1.00 0.00 O ATOM 300 CG2 THR A 19 3.404 -1.451 5.268 1.00 0.00 C ATOM 0 H THR A 19 4.025 -4.949 4.591 1.00 0.00 H new ATOM 0 HA THR A 19 2.760 -4.091 7.010 1.00 0.00 H new ATOM 0 HB THR A 19 4.693 -3.158 5.103 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.246 -1.874 6.998 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.217 -0.731 5.178 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.954 -1.615 4.289 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.650 -1.064 5.954 1.00 0.00 H new ATOM 308 N LEU A 20 1.246 -3.277 4.199 1.00 0.00 N ATOM 309 CA LEU A 20 -0.052 -2.783 3.688 1.00 0.00 C ATOM 310 C LEU A 20 -1.158 -3.671 4.250 1.00 0.00 C ATOM 311 O LEU A 20 -2.241 -3.232 4.551 1.00 0.00 O ATOM 312 CB LEU A 20 -0.054 -2.877 2.165 1.00 0.00 C ATOM 313 CG LEU A 20 0.851 -1.794 1.574 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.785 -1.862 0.051 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.382 -0.414 2.046 1.00 0.00 C ATOM 0 H LEU A 20 1.905 -3.586 3.484 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.212 -1.748 3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.292 -3.862 1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.069 -2.761 1.786 1.00 0.00 H new ATOM 0 HG LEU A 20 1.877 -1.956 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.428 -1.092 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.122 -2.843 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.242 -1.699 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.029 0.354 1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.644 -0.246 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.426 -0.367 3.134 1.00 0.00 H new ATOM 327 N LYS A 21 -0.869 -4.925 4.389 1.00 0.00 N ATOM 328 CA LYS A 21 -1.867 -5.892 4.930 1.00 0.00 C ATOM 329 C LYS A 21 -2.168 -5.548 6.386 1.00 0.00 C ATOM 330 O LYS A 21 -3.301 -5.569 6.815 1.00 0.00 O ATOM 331 CB LYS A 21 -1.292 -7.306 4.856 1.00 0.00 C ATOM 332 CG LYS A 21 -2.342 -8.311 5.333 1.00 0.00 C ATOM 333 CD LYS A 21 -1.646 -9.491 6.016 1.00 0.00 C ATOM 334 CE LYS A 21 -1.410 -9.161 7.491 1.00 0.00 C ATOM 335 NZ LYS A 21 -0.603 -10.246 8.120 1.00 0.00 N ATOM 0 H LYS A 21 0.033 -5.335 4.148 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.784 -5.836 4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.993 -7.535 3.833 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.397 -7.379 5.474 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.032 -7.831 6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.934 -8.663 4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.258 -10.389 5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.697 -9.702 5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.891 -8.207 7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.364 -9.056 8.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.442 -10.022 9.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.115 -11.148 8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.312 -10.325 7.632 1.00 0.00 H new ATOM 349 N LYS A 22 -1.163 -5.226 7.150 1.00 0.00 N ATOM 350 CA LYS A 22 -1.399 -4.873 8.569 1.00 0.00 C ATOM 351 C LYS A 22 -2.243 -3.607 8.608 1.00 0.00 C ATOM 352 O LYS A 22 -3.347 -3.583 9.114 1.00 0.00 O ATOM 353 CB LYS A 22 -0.059 -4.599 9.245 1.00 0.00 C ATOM 354 CG LYS A 22 -0.196 -4.790 10.757 1.00 0.00 C ATOM 355 CD LYS A 22 -0.147 -3.427 11.450 1.00 0.00 C ATOM 356 CE LYS A 22 1.302 -3.083 11.799 1.00 0.00 C ATOM 357 NZ LYS A 22 1.821 -2.075 10.832 1.00 0.00 N ATOM 0 H LYS A 22 -0.189 -5.193 6.849 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.908 -5.687 9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.702 -5.272 8.851 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.269 -3.583 9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.135 -5.293 10.987 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.607 -5.428 11.128 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.567 -2.661 10.798 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.755 -3.445 12.354 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.359 -2.691 12.815 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.918 -3.982 11.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.705 -1.667 11.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.004 -2.534 9.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.117 -1.320 10.706 1.00 0.00 H new ATOM 371 N GLU A 23 -1.716 -2.558 8.052 1.00 0.00 N ATOM 372 CA GLU A 23 -2.441 -1.270 8.007 1.00 0.00 C ATOM 373 C GLU A 23 -3.835 -1.503 7.431 1.00 0.00 C ATOM 374 O GLU A 23 -4.829 -1.472 8.129 1.00 0.00 O ATOM 375 CB GLU A 23 -1.662 -0.330 7.094 1.00 0.00 C ATOM 376 CG GLU A 23 -0.259 -0.118 7.664 1.00 0.00 C ATOM 377 CD GLU A 23 -0.357 0.568 9.028 1.00 0.00 C ATOM 378 OE1 GLU A 23 -1.449 0.974 9.388 1.00 0.00 O ATOM 379 OE2 GLU A 23 0.663 0.676 9.689 1.00 0.00 O ATOM 0 H GLU A 23 -0.793 -2.542 7.618 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.534 -0.841 9.005 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.599 -0.749 6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.180 0.625 7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.253 -1.075 7.763 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.334 0.491 6.981 1.00 0.00 H new ATOM 386 N LEU A 24 -3.898 -1.757 6.158 1.00 0.00 N ATOM 387 CA LEU A 24 -5.199 -2.020 5.494 1.00 0.00 C ATOM 388 C LEU A 24 -5.930 -3.129 6.249 1.00 0.00 C ATOM 389 O LEU A 24 -7.125 -3.303 6.114 1.00 0.00 O ATOM 390 CB LEU A 24 -4.937 -2.482 4.059 1.00 0.00 C ATOM 391 CG LEU A 24 -4.340 -1.334 3.244 1.00 0.00 C ATOM 392 CD1 LEU A 24 -3.088 -1.827 2.517 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.364 -0.850 2.215 1.00 0.00 C ATOM 0 H LEU A 24 -3.088 -1.794 5.539 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.805 -1.114 5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.255 -3.332 4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.867 -2.820 3.601 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.079 -0.513 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.660 -1.011 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.357 -2.175 3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.354 -2.647 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.938 -0.032 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.625 -1.671 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.260 -0.502 2.729 1.00 0.00 H new ATOM 405 N ALA A 25 -5.218 -3.890 7.036 1.00 0.00 N ATOM 406 CA ALA A 25 -5.868 -4.990 7.787 1.00 0.00 C ATOM 407 C ALA A 25 -6.576 -5.920 6.802 1.00 0.00 C ATOM 408 O ALA A 25 -7.733 -6.255 6.964 1.00 0.00 O ATOM 409 CB ALA A 25 -6.871 -4.389 8.760 1.00 0.00 C ATOM 0 H ALA A 25 -4.214 -3.793 7.188 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.126 -5.564 8.342 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.358 -5.187 9.320 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.354 -3.724 9.451 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.621 -3.825 8.207 1.00 0.00 H new ATOM 415 N LEU A 26 -5.881 -6.340 5.779 1.00 0.00 N ATOM 416 CA LEU A 26 -6.497 -7.250 4.775 1.00 0.00 C ATOM 417 C LEU A 26 -6.618 -8.652 5.380 1.00 0.00 C ATOM 418 O LEU A 26 -5.969 -8.956 6.361 1.00 0.00 O ATOM 419 CB LEU A 26 -5.604 -7.294 3.532 1.00 0.00 C ATOM 420 CG LEU A 26 -5.170 -5.873 3.167 1.00 0.00 C ATOM 421 CD1 LEU A 26 -4.196 -5.926 1.996 1.00 0.00 C ATOM 422 CD2 LEU A 26 -6.396 -5.047 2.774 1.00 0.00 C ATOM 0 H LEU A 26 -4.909 -6.090 5.596 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.488 -6.891 4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.729 -7.916 3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.143 -7.747 2.700 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.683 -5.411 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.886 -4.914 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.321 -6.513 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.683 -6.389 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.085 -4.035 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.885 -5.508 1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.093 -5.009 3.611 1.00 0.00 H new ATOM 434 N PRO A 27 -7.448 -9.467 4.779 1.00 0.00 N ATOM 435 CA PRO A 27 -7.667 -10.844 5.252 1.00 0.00 C ATOM 436 C PRO A 27 -6.344 -11.606 5.301 1.00 0.00 C ATOM 437 O PRO A 27 -5.298 -11.077 4.983 1.00 0.00 O ATOM 438 CB PRO A 27 -8.608 -11.468 4.216 1.00 0.00 C ATOM 439 CG PRO A 27 -9.021 -10.353 3.222 1.00 0.00 C ATOM 440 CD PRO A 27 -8.228 -9.089 3.586 1.00 0.00 C ATOM 0 HA PRO A 27 -8.085 -10.874 6.258 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.111 -12.284 3.691 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.487 -11.891 4.703 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.809 -10.656 2.197 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.093 -10.163 3.283 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.577 -8.781 2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.893 -8.251 3.797 1.00 0.00 H new ATOM 448 N GLU A 28 -6.384 -12.850 5.687 1.00 0.00 N ATOM 449 CA GLU A 28 -5.132 -13.648 5.743 1.00 0.00 C ATOM 450 C GLU A 28 -4.782 -14.107 4.329 1.00 0.00 C ATOM 451 O GLU A 28 -3.676 -14.527 4.054 1.00 0.00 O ATOM 452 CB GLU A 28 -5.342 -14.869 6.638 1.00 0.00 C ATOM 453 CG GLU A 28 -5.614 -14.410 8.072 1.00 0.00 C ATOM 454 CD GLU A 28 -5.013 -15.418 9.054 1.00 0.00 C ATOM 455 OE1 GLU A 28 -3.973 -15.973 8.740 1.00 0.00 O ATOM 456 OE2 GLU A 28 -5.602 -15.617 10.103 1.00 0.00 O ATOM 0 H GLU A 28 -7.230 -13.347 5.966 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.323 -13.042 6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.179 -15.463 6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.460 -15.509 6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.182 -13.423 8.237 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.687 -14.320 8.239 1.00 0.00 H new ATOM 463 N TYR A 29 -5.720 -14.017 3.426 1.00 0.00 N ATOM 464 CA TYR A 29 -5.445 -14.434 2.025 1.00 0.00 C ATOM 465 C TYR A 29 -5.102 -13.198 1.195 1.00 0.00 C ATOM 466 O TYR A 29 -5.125 -13.235 -0.019 1.00 0.00 O ATOM 467 CB TYR A 29 -6.675 -15.131 1.431 1.00 0.00 C ATOM 468 CG TYR A 29 -7.937 -14.496 1.964 1.00 0.00 C ATOM 469 CD1 TYR A 29 -8.520 -13.418 1.287 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.527 -14.988 3.135 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.692 -12.833 1.780 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.700 -14.403 3.628 1.00 0.00 C ATOM 473 CZ TYR A 29 -10.282 -13.325 2.950 1.00 0.00 C ATOM 474 OH TYR A 29 -11.438 -12.749 3.436 1.00 0.00 O ATOM 0 H TYR A 29 -6.664 -13.673 3.599 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.607 -15.131 2.013 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.654 -15.060 0.344 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.658 -16.192 1.681 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.065 -13.038 0.384 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.077 -15.819 3.658 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.141 -12.002 1.257 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.155 -14.783 4.531 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.715 -13.211 4.255 1.00 0.00 H new ATOM 484 N TYR A 30 -4.784 -12.104 1.847 1.00 0.00 N ATOM 485 CA TYR A 30 -4.429 -10.852 1.106 1.00 0.00 C ATOM 486 C TYR A 30 -3.632 -11.217 -0.148 1.00 0.00 C ATOM 487 O TYR A 30 -2.446 -11.475 -0.088 1.00 0.00 O ATOM 488 CB TYR A 30 -3.582 -9.945 2.010 1.00 0.00 C ATOM 489 CG TYR A 30 -3.067 -8.759 1.220 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.822 -8.240 0.162 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.831 -8.181 1.546 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.343 -7.146 -0.570 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.352 -7.083 0.814 1.00 0.00 C ATOM 494 CZ TYR A 30 -2.109 -6.568 -0.244 1.00 0.00 C ATOM 495 OH TYR A 30 -1.639 -5.491 -0.966 1.00 0.00 O ATOM 0 H TYR A 30 -4.755 -12.025 2.864 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.339 -10.325 0.819 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.179 -9.599 2.853 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.745 -10.509 2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.774 -8.683 -0.090 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.247 -8.581 2.361 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.926 -6.747 -1.387 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.402 -6.637 1.067 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.084 -4.927 -0.388 1.00 0.00 H new ATOM 505 N GLY A 31 -4.286 -11.255 -1.281 1.00 0.00 N ATOM 506 CA GLY A 31 -3.591 -11.618 -2.552 1.00 0.00 C ATOM 507 C GLY A 31 -2.183 -11.023 -2.573 1.00 0.00 C ATOM 508 O GLY A 31 -1.287 -11.563 -3.187 1.00 0.00 O ATOM 0 H GLY A 31 -5.280 -11.048 -1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.537 -12.702 -2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.162 -11.250 -3.405 1.00 0.00 H new ATOM 512 N GLU A 32 -1.993 -9.906 -1.915 1.00 0.00 N ATOM 513 CA GLU A 32 -0.651 -9.242 -1.876 1.00 0.00 C ATOM 514 C GLU A 32 -0.335 -8.577 -3.231 1.00 0.00 C ATOM 515 O GLU A 32 0.515 -7.715 -3.316 1.00 0.00 O ATOM 516 CB GLU A 32 0.431 -10.277 -1.499 1.00 0.00 C ATOM 517 CG GLU A 32 1.796 -9.866 -2.062 1.00 0.00 C ATOM 518 CD GLU A 32 2.829 -10.945 -1.733 1.00 0.00 C ATOM 519 OE1 GLU A 32 3.053 -11.182 -0.557 1.00 0.00 O ATOM 520 OE2 GLU A 32 3.378 -11.515 -2.660 1.00 0.00 O ATOM 0 H GLU A 32 -2.722 -9.418 -1.395 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.662 -8.459 -1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.492 -10.368 -0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.153 -11.258 -1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.730 -9.728 -3.141 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.104 -8.911 -1.637 1.00 0.00 H new ATOM 527 N ASN A 33 -1.008 -8.953 -4.285 1.00 0.00 N ATOM 528 CA ASN A 33 -0.731 -8.317 -5.606 1.00 0.00 C ATOM 529 C ASN A 33 -1.494 -6.994 -5.713 1.00 0.00 C ATOM 530 O ASN A 33 -2.134 -6.553 -4.778 1.00 0.00 O ATOM 531 CB ASN A 33 -1.149 -9.253 -6.750 1.00 0.00 C ATOM 532 CG ASN A 33 -2.339 -10.114 -6.326 1.00 0.00 C ATOM 533 OD1 ASN A 33 -2.176 -11.099 -5.633 1.00 0.00 O ATOM 534 ND2 ASN A 33 -3.537 -9.784 -6.716 1.00 0.00 N ATOM 0 H ASN A 33 -1.734 -9.669 -4.289 1.00 0.00 H new ATOM 0 HA ASN A 33 0.339 -8.125 -5.685 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.412 -8.667 -7.631 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.311 -9.892 -7.030 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.338 -10.352 -6.440 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.674 -8.957 -7.298 1.00 0.00 H new ATOM 541 N LEU A 34 -1.430 -6.360 -6.852 1.00 0.00 N ATOM 542 CA LEU A 34 -2.145 -5.065 -7.039 1.00 0.00 C ATOM 543 C LEU A 34 -3.634 -5.323 -7.234 1.00 0.00 C ATOM 544 O LEU A 34 -4.470 -4.594 -6.758 1.00 0.00 O ATOM 545 CB LEU A 34 -1.612 -4.376 -8.287 1.00 0.00 C ATOM 546 CG LEU A 34 -0.160 -3.950 -8.070 1.00 0.00 C ATOM 547 CD1 LEU A 34 0.410 -3.412 -9.383 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.097 -2.854 -7.003 1.00 0.00 C ATOM 0 H LEU A 34 -0.910 -6.686 -7.667 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.987 -4.440 -6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.678 -5.050 -9.141 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.224 -3.505 -8.521 1.00 0.00 H new ATOM 0 HG LEU A 34 0.424 -4.809 -7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.446 -3.107 -9.232 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.368 -4.191 -10.144 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.177 -2.554 -9.710 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.940 -2.553 -6.851 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.680 -1.993 -7.330 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.505 -3.234 -6.067 1.00 0.00 H new ATOM 560 N ASP A 35 -3.961 -6.346 -7.952 1.00 0.00 N ATOM 561 CA ASP A 35 -5.391 -6.667 -8.202 1.00 0.00 C ATOM 562 C ASP A 35 -6.097 -6.951 -6.877 1.00 0.00 C ATOM 563 O ASP A 35 -7.255 -6.627 -6.695 1.00 0.00 O ATOM 564 CB ASP A 35 -5.462 -7.917 -9.065 1.00 0.00 C ATOM 565 CG ASP A 35 -5.143 -7.561 -10.519 1.00 0.00 C ATOM 566 OD1 ASP A 35 -5.795 -6.676 -11.048 1.00 0.00 O ATOM 567 OD2 ASP A 35 -4.253 -8.181 -11.078 1.00 0.00 O ATOM 0 H ASP A 35 -3.295 -6.986 -8.385 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.873 -5.825 -8.699 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.756 -8.663 -8.700 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.456 -8.360 -8.999 1.00 0.00 H new ATOM 572 N ALA A 36 -5.409 -7.558 -5.953 1.00 0.00 N ATOM 573 CA ALA A 36 -6.043 -7.870 -4.640 1.00 0.00 C ATOM 574 C ALA A 36 -6.019 -6.622 -3.780 1.00 0.00 C ATOM 575 O ALA A 36 -7.029 -6.178 -3.272 1.00 0.00 O ATOM 576 CB ALA A 36 -5.266 -8.975 -3.932 1.00 0.00 C ATOM 0 H ALA A 36 -4.437 -7.852 -6.048 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.068 -8.202 -4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.737 -9.195 -2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.265 -9.873 -4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.240 -8.648 -3.765 1.00 0.00 H new ATOM 582 N LEU A 37 -4.866 -6.044 -3.633 1.00 0.00 N ATOM 583 CA LEU A 37 -4.754 -4.804 -2.828 1.00 0.00 C ATOM 584 C LEU A 37 -5.896 -3.884 -3.241 1.00 0.00 C ATOM 585 O LEU A 37 -6.657 -3.374 -2.435 1.00 0.00 O ATOM 586 CB LEU A 37 -3.413 -4.139 -3.147 1.00 0.00 C ATOM 587 CG LEU A 37 -3.464 -2.658 -2.767 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.559 -2.520 -1.246 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.197 -1.959 -3.264 1.00 0.00 C ATOM 0 H LEU A 37 -3.992 -6.379 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.807 -5.015 -1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.611 -4.636 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.188 -4.244 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.338 -2.198 -3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.595 -1.464 -0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.463 -3.016 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.687 -2.982 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.234 -0.904 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.323 -2.421 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.131 -2.053 -4.348 1.00 0.00 H new ATOM 601 N TRP A 38 -6.010 -3.690 -4.514 1.00 0.00 N ATOM 602 CA TRP A 38 -7.076 -2.840 -5.057 1.00 0.00 C ATOM 603 C TRP A 38 -8.407 -3.403 -4.625 1.00 0.00 C ATOM 604 O TRP A 38 -9.210 -2.741 -4.007 1.00 0.00 O ATOM 605 CB TRP A 38 -7.019 -2.871 -6.578 1.00 0.00 C ATOM 606 CG TRP A 38 -8.117 -2.024 -7.099 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.357 -2.457 -7.359 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.100 -0.612 -7.395 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.116 -1.392 -7.817 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.375 -0.227 -7.855 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.103 0.358 -7.313 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -9.645 1.091 -8.220 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.358 1.674 -7.668 1.00 0.00 C ATOM 614 CH2 TRP A 38 -8.630 2.052 -8.124 1.00 0.00 C ATOM 0 H TRP A 38 -5.391 -4.097 -5.215 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.951 -1.819 -4.697 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.055 -2.503 -6.930 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.122 -3.893 -6.942 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.708 -3.470 -7.232 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.096 -1.460 -8.091 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.118 0.081 -6.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -10.627 1.369 -8.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.573 2.412 -7.593 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -8.826 3.078 -8.399 1.00 0.00 H new ATOM 625 N ASP A 39 -8.635 -4.636 -4.948 1.00 0.00 N ATOM 626 CA ASP A 39 -9.912 -5.278 -4.560 1.00 0.00 C ATOM 627 C ASP A 39 -10.223 -4.899 -3.115 1.00 0.00 C ATOM 628 O ASP A 39 -11.364 -4.859 -2.699 1.00 0.00 O ATOM 629 CB ASP A 39 -9.777 -6.794 -4.679 1.00 0.00 C ATOM 630 CG ASP A 39 -10.302 -7.250 -6.041 1.00 0.00 C ATOM 631 OD1 ASP A 39 -9.760 -6.811 -7.041 1.00 0.00 O ATOM 632 OD2 ASP A 39 -11.239 -8.032 -6.061 1.00 0.00 O ATOM 0 H ASP A 39 -7.989 -5.231 -5.467 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.717 -4.943 -5.214 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.733 -7.087 -4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.335 -7.283 -3.880 1.00 0.00 H new ATOM 637 N CYS A 40 -9.205 -4.611 -2.348 1.00 0.00 N ATOM 638 CA CYS A 40 -9.425 -4.224 -0.934 1.00 0.00 C ATOM 639 C CYS A 40 -9.835 -2.748 -0.853 1.00 0.00 C ATOM 640 O CYS A 40 -10.807 -2.403 -0.212 1.00 0.00 O ATOM 641 CB CYS A 40 -8.131 -4.439 -0.152 1.00 0.00 C ATOM 642 SG CYS A 40 -7.569 -6.145 -0.371 1.00 0.00 S ATOM 0 H CYS A 40 -8.230 -4.629 -2.646 1.00 0.00 H new ATOM 0 HA CYS A 40 -10.221 -4.836 -0.509 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.365 -3.745 -0.498 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.294 -4.232 0.906 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.025 -6.275 -1.544 1.00 0.00 H new ATOM 648 N LEU A 41 -9.103 -1.866 -1.486 1.00 0.00 N ATOM 649 CA LEU A 41 -9.461 -0.430 -1.417 1.00 0.00 C ATOM 650 C LEU A 41 -10.871 -0.206 -1.974 1.00 0.00 C ATOM 651 O LEU A 41 -11.699 0.434 -1.357 1.00 0.00 O ATOM 652 CB LEU A 41 -8.457 0.375 -2.241 1.00 0.00 C ATOM 653 CG LEU A 41 -7.029 -0.064 -1.902 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.046 0.757 -2.725 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.757 0.157 -0.412 1.00 0.00 C ATOM 0 H LEU A 41 -8.277 -2.084 -2.044 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.438 -0.105 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.648 0.230 -3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.577 1.439 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.910 -1.123 -2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.027 0.449 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.236 0.596 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.169 1.814 -2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.740 -0.157 -0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.874 1.214 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.463 -0.428 0.177 1.00 0.00 H new ATOM 667 N THR A 42 -11.140 -0.709 -3.145 1.00 0.00 N ATOM 668 CA THR A 42 -12.473 -0.515 -3.764 1.00 0.00 C ATOM 669 C THR A 42 -13.547 -1.299 -3.004 1.00 0.00 C ATOM 670 O THR A 42 -14.713 -1.232 -3.336 1.00 0.00 O ATOM 671 CB THR A 42 -12.429 -0.993 -5.216 1.00 0.00 C ATOM 672 OG1 THR A 42 -11.709 -2.215 -5.289 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.738 0.064 -6.079 1.00 0.00 C ATOM 0 H THR A 42 -10.483 -1.253 -3.704 1.00 0.00 H new ATOM 0 HA THR A 42 -12.725 0.545 -3.724 1.00 0.00 H new ATOM 0 HB THR A 42 -13.444 -1.149 -5.580 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.033 -2.155 -5.996 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.706 -0.276 -7.114 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.293 1.000 -6.021 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.722 0.222 -5.717 1.00 0.00 H new ATOM 681 N GLY A 43 -13.183 -2.043 -1.993 1.00 0.00 N ATOM 682 CA GLY A 43 -14.230 -2.810 -1.253 1.00 0.00 C ATOM 683 C GLY A 43 -13.621 -3.597 -0.089 1.00 0.00 C ATOM 684 O GLY A 43 -13.571 -4.810 -0.110 1.00 0.00 O ATOM 0 H GLY A 43 -12.228 -2.153 -1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.988 -2.124 -0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.733 -3.495 -1.935 1.00 0.00 H new ATOM 688 N TRP A 44 -13.179 -2.919 0.936 1.00 0.00 N ATOM 689 CA TRP A 44 -12.596 -3.626 2.109 1.00 0.00 C ATOM 690 C TRP A 44 -12.035 -2.603 3.096 1.00 0.00 C ATOM 691 O TRP A 44 -12.499 -2.481 4.213 1.00 0.00 O ATOM 692 CB TRP A 44 -11.471 -4.548 1.651 1.00 0.00 C ATOM 693 CG TRP A 44 -10.869 -5.216 2.844 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.804 -4.750 3.535 1.00 0.00 C ATOM 695 CD2 TRP A 44 -11.276 -6.451 3.501 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.529 -5.621 4.574 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.408 -6.685 4.595 1.00 0.00 C ATOM 698 CE3 TRP A 44 -12.300 -7.383 3.257 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.553 -7.802 5.418 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.449 -8.509 4.084 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.577 -8.718 5.161 1.00 0.00 C ATOM 0 H TRP A 44 -13.197 -1.902 1.010 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.375 -4.216 2.592 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.856 -5.295 0.957 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.711 -3.977 1.117 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.257 -3.846 3.312 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.770 -5.493 5.243 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.976 -7.232 2.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.879 -7.958 6.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -13.240 -9.218 3.889 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.696 -9.586 5.792 1.00 0.00 H new ATOM 712 N VAL A 45 -11.034 -1.874 2.694 1.00 0.00 N ATOM 713 CA VAL A 45 -10.431 -0.868 3.601 1.00 0.00 C ATOM 714 C VAL A 45 -11.445 0.241 3.888 1.00 0.00 C ATOM 715 O VAL A 45 -12.325 0.509 3.095 1.00 0.00 O ATOM 716 CB VAL A 45 -9.190 -0.266 2.942 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.386 0.508 3.989 1.00 0.00 C ATOM 718 CG2 VAL A 45 -8.326 -1.387 2.360 1.00 0.00 C ATOM 0 H VAL A 45 -10.607 -1.934 1.770 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.149 -1.350 4.537 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.493 0.410 2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.500 0.939 3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.002 1.306 4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.083 -0.169 4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.441 -0.958 1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.021 -2.063 3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.900 -1.940 1.616 1.00 0.00 H new ATOM 728 N GLU A 46 -11.326 0.890 5.013 1.00 0.00 N ATOM 729 CA GLU A 46 -12.282 1.983 5.342 1.00 0.00 C ATOM 730 C GLU A 46 -11.616 3.336 5.090 1.00 0.00 C ATOM 731 O GLU A 46 -10.503 3.582 5.509 1.00 0.00 O ATOM 732 CB GLU A 46 -12.698 1.883 6.809 1.00 0.00 C ATOM 733 CG GLU A 46 -13.695 0.735 6.980 1.00 0.00 C ATOM 734 CD GLU A 46 -13.868 0.424 8.468 1.00 0.00 C ATOM 735 OE1 GLU A 46 -14.213 1.332 9.206 1.00 0.00 O ATOM 736 OE2 GLU A 46 -13.654 -0.716 8.844 1.00 0.00 O ATOM 0 H GLU A 46 -10.610 0.711 5.717 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.166 1.889 4.712 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.822 1.714 7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.148 2.821 7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -14.655 1.005 6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.340 -0.150 6.452 1.00 0.00 H new ATOM 743 N TYR A 47 -12.296 4.212 4.406 1.00 0.00 N ATOM 744 CA TYR A 47 -11.722 5.556 4.112 1.00 0.00 C ATOM 745 C TYR A 47 -12.538 6.611 4.876 1.00 0.00 C ATOM 746 O TYR A 47 -13.585 6.292 5.403 1.00 0.00 O ATOM 747 CB TYR A 47 -11.801 5.793 2.596 1.00 0.00 C ATOM 748 CG TYR A 47 -10.827 4.876 1.876 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.858 4.156 2.592 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.893 4.743 0.483 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.970 3.312 1.919 1.00 0.00 C ATOM 752 CE2 TYR A 47 -10.001 3.900 -0.183 1.00 0.00 C ATOM 753 CZ TYR A 47 -9.041 3.185 0.534 1.00 0.00 C ATOM 754 OH TYR A 47 -8.163 2.352 -0.128 1.00 0.00 O ATOM 0 H TYR A 47 -13.233 4.054 4.035 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.681 5.622 4.427 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.816 5.609 2.243 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.569 6.834 2.370 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.798 4.254 3.666 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.635 5.293 -0.077 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.228 2.758 2.474 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.054 3.801 -1.257 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.247 2.548 0.159 1.00 0.00 H new ATOM 764 N PRO A 48 -12.048 7.833 4.943 1.00 0.00 N ATOM 765 CA PRO A 48 -10.775 8.266 4.315 1.00 0.00 C ATOM 766 C PRO A 48 -9.575 7.500 4.876 1.00 0.00 C ATOM 767 O PRO A 48 -9.399 7.381 6.073 1.00 0.00 O ATOM 768 CB PRO A 48 -10.651 9.755 4.668 1.00 0.00 C ATOM 769 CG PRO A 48 -11.880 10.144 5.526 1.00 0.00 C ATOM 770 CD PRO A 48 -12.760 8.895 5.677 1.00 0.00 C ATOM 0 HA PRO A 48 -10.783 8.079 3.241 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.728 9.942 5.217 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.611 10.360 3.762 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.564 10.509 6.503 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.439 10.950 5.050 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.891 8.629 6.726 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.755 9.061 5.264 1.00 0.00 H new ATOM 778 N LEU A 49 -8.742 6.990 4.010 1.00 0.00 N ATOM 779 CA LEU A 49 -7.541 6.239 4.468 1.00 0.00 C ATOM 780 C LEU A 49 -6.308 7.110 4.258 1.00 0.00 C ATOM 781 O LEU A 49 -6.268 7.943 3.381 1.00 0.00 O ATOM 782 CB LEU A 49 -7.402 4.954 3.630 1.00 0.00 C ATOM 783 CG LEU A 49 -5.934 4.513 3.528 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.452 3.975 4.877 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.800 3.425 2.461 1.00 0.00 C ATOM 0 H LEU A 49 -8.844 7.063 2.998 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.640 5.981 5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.993 4.157 4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.804 5.123 2.631 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.322 5.371 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.410 3.665 4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.539 4.756 5.632 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.063 3.120 5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.758 3.112 2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.418 2.569 2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.129 3.817 1.498 1.00 0.00 H new ATOM 797 N VAL A 50 -5.285 6.887 5.024 1.00 0.00 N ATOM 798 CA VAL A 50 -4.039 7.668 4.825 1.00 0.00 C ATOM 799 C VAL A 50 -2.949 6.689 4.384 1.00 0.00 C ATOM 800 O VAL A 50 -2.833 5.607 4.912 1.00 0.00 O ATOM 801 CB VAL A 50 -3.644 8.379 6.142 1.00 0.00 C ATOM 802 CG1 VAL A 50 -2.251 7.938 6.617 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.625 9.890 5.911 1.00 0.00 C ATOM 0 H VAL A 50 -5.256 6.200 5.778 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.178 8.438 4.066 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.375 8.112 6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.002 8.455 7.544 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.249 6.862 6.790 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.512 8.184 5.855 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.347 10.396 6.836 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.899 10.130 5.134 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.615 10.223 5.598 1.00 0.00 H new ATOM 813 N LEU A 51 -2.132 7.057 3.449 1.00 0.00 N ATOM 814 CA LEU A 51 -1.046 6.133 3.043 1.00 0.00 C ATOM 815 C LEU A 51 0.274 6.853 3.256 1.00 0.00 C ATOM 816 O LEU A 51 0.842 7.429 2.349 1.00 0.00 O ATOM 817 CB LEU A 51 -1.185 5.702 1.579 1.00 0.00 C ATOM 818 CG LEU A 51 -0.030 4.756 1.240 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.187 3.462 2.034 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.043 4.418 -0.247 1.00 0.00 C ATOM 0 H LEU A 51 -2.166 7.947 2.952 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.097 5.226 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.142 5.204 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.166 6.573 0.924 1.00 0.00 H new ATOM 0 HG LEU A 51 0.910 5.246 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.634 2.786 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.174 3.686 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.134 2.988 1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.783 3.745 -0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.986 3.934 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.064 5.333 -0.829 1.00 0.00 H new ATOM 832 N GLU A 52 0.754 6.836 4.466 1.00 0.00 N ATOM 833 CA GLU A 52 2.028 7.524 4.778 1.00 0.00 C ATOM 834 C GLU A 52 3.182 6.653 4.293 1.00 0.00 C ATOM 835 O GLU A 52 3.804 5.928 5.046 1.00 0.00 O ATOM 836 CB GLU A 52 2.119 7.740 6.290 1.00 0.00 C ATOM 837 CG GLU A 52 3.528 8.206 6.661 1.00 0.00 C ATOM 838 CD GLU A 52 3.480 8.974 7.983 1.00 0.00 C ATOM 839 OE1 GLU A 52 2.490 8.846 8.684 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.434 9.678 8.271 1.00 0.00 O ATOM 0 H GLU A 52 0.311 6.369 5.258 1.00 0.00 H new ATOM 0 HA GLU A 52 2.076 8.493 4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.385 8.482 6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.882 6.814 6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.194 7.348 6.751 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.931 8.842 5.873 1.00 0.00 H new ATOM 847 N TRP A 53 3.456 6.719 3.021 1.00 0.00 N ATOM 848 CA TRP A 53 4.553 5.907 2.442 1.00 0.00 C ATOM 849 C TRP A 53 5.898 6.491 2.874 1.00 0.00 C ATOM 850 O TRP A 53 6.295 7.551 2.433 1.00 0.00 O ATOM 851 CB TRP A 53 4.449 5.939 0.919 1.00 0.00 C ATOM 852 CG TRP A 53 5.062 4.700 0.361 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.350 4.329 0.536 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.440 3.665 -0.452 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.562 3.132 -0.121 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.416 2.683 -0.745 1.00 0.00 C ATOM 857 CE3 TRP A 53 3.139 3.484 -0.961 1.00 0.00 C ATOM 858 CZ2 TRP A 53 5.114 1.562 -1.514 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.835 2.353 -1.739 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.822 1.397 -2.013 1.00 0.00 C ATOM 0 H TRP A 53 2.959 7.308 2.353 1.00 0.00 H new ATOM 0 HA TRP A 53 4.475 4.878 2.793 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.405 6.011 0.615 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.957 6.820 0.526 1.00 0.00 H new ATOM 0 HD1 TRP A 53 7.092 4.878 1.097 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.456 2.641 -0.142 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.373 4.216 -0.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.875 0.825 -1.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.836 2.221 -2.127 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.582 0.531 -2.612 1.00 0.00 H new ATOM 871 N ARG A 54 6.599 5.812 3.736 1.00 0.00 N ATOM 872 CA ARG A 54 7.914 6.334 4.198 1.00 0.00 C ATOM 873 C ARG A 54 9.028 5.799 3.296 1.00 0.00 C ATOM 874 O ARG A 54 8.963 4.691 2.801 1.00 0.00 O ATOM 875 CB ARG A 54 8.164 5.879 5.637 1.00 0.00 C ATOM 876 CG ARG A 54 8.516 7.089 6.504 1.00 0.00 C ATOM 877 CD ARG A 54 9.467 6.657 7.622 1.00 0.00 C ATOM 878 NE ARG A 54 9.643 7.779 8.586 1.00 0.00 N ATOM 879 CZ ARG A 54 10.161 7.554 9.763 1.00 0.00 C ATOM 880 NH1 ARG A 54 10.736 6.409 10.016 1.00 0.00 N ATOM 881 NH2 ARG A 54 10.106 8.473 10.687 1.00 0.00 N ATOM 0 H ARG A 54 6.319 4.919 4.141 1.00 0.00 H new ATOM 0 HA ARG A 54 7.905 7.423 4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.278 5.382 6.031 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.975 5.152 5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.982 7.863 5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.610 7.521 6.929 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.068 5.782 8.135 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.431 6.369 7.203 1.00 0.00 H new ATOM 0 HE ARG A 54 9.359 8.724 8.326 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.781 5.690 9.294 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.141 6.234 10.936 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.658 9.368 10.490 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.511 8.297 11.606 1.00 0.00 H new ATOM 895 N GLN A 55 10.055 6.578 3.090 1.00 0.00 N ATOM 896 CA GLN A 55 11.188 6.121 2.234 1.00 0.00 C ATOM 897 C GLN A 55 10.774 6.100 0.760 1.00 0.00 C ATOM 898 O GLN A 55 11.055 7.017 0.014 1.00 0.00 O ATOM 899 CB GLN A 55 11.615 4.715 2.662 1.00 0.00 C ATOM 900 CG GLN A 55 13.024 4.769 3.256 1.00 0.00 C ATOM 901 CD GLN A 55 13.071 5.827 4.360 1.00 0.00 C ATOM 902 OE1 GLN A 55 12.225 5.849 5.232 1.00 0.00 O ATOM 903 NE2 GLN A 55 14.030 6.711 4.359 1.00 0.00 N ATOM 0 H GLN A 55 10.159 7.515 3.479 1.00 0.00 H new ATOM 0 HA GLN A 55 12.020 6.815 2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.914 4.318 3.396 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.595 4.041 1.806 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.298 3.794 3.660 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.749 5.007 2.478 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.740 6.692 3.627 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.070 7.421 5.090 1.00 0.00 H new ATOM 912 N PHE A 56 10.131 5.050 0.326 1.00 0.00 N ATOM 913 CA PHE A 56 9.728 4.960 -1.107 1.00 0.00 C ATOM 914 C PHE A 56 10.991 4.915 -1.967 1.00 0.00 C ATOM 915 O PHE A 56 11.948 5.615 -1.704 1.00 0.00 O ATOM 916 CB PHE A 56 8.883 6.173 -1.499 1.00 0.00 C ATOM 917 CG PHE A 56 8.065 5.828 -2.722 1.00 0.00 C ATOM 918 CD1 PHE A 56 8.632 5.939 -3.997 1.00 0.00 C ATOM 919 CD2 PHE A 56 6.743 5.384 -2.582 1.00 0.00 C ATOM 920 CE1 PHE A 56 7.880 5.608 -5.131 1.00 0.00 C ATOM 921 CE2 PHE A 56 5.990 5.054 -3.716 1.00 0.00 C ATOM 922 CZ PHE A 56 6.559 5.165 -4.991 1.00 0.00 C ATOM 0 H PHE A 56 9.867 4.250 0.902 1.00 0.00 H new ATOM 0 HA PHE A 56 9.134 4.060 -1.262 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.228 6.457 -0.676 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.526 7.029 -1.705 1.00 0.00 H new ATOM 0 HD1 PHE A 56 9.651 6.280 -4.106 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.305 5.296 -1.599 1.00 0.00 H new ATOM 0 HE1 PHE A 56 8.319 5.694 -6.114 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.971 4.714 -3.607 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.979 4.909 -5.866 1.00 0.00 H new ATOM 932 N GLU A 57 11.002 4.082 -2.977 1.00 0.00 N ATOM 933 CA GLU A 57 12.207 3.959 -3.853 1.00 0.00 C ATOM 934 C GLU A 57 13.182 2.979 -3.203 1.00 0.00 C ATOM 935 O GLU A 57 13.634 2.035 -3.821 1.00 0.00 O ATOM 936 CB GLU A 57 12.888 5.315 -4.023 1.00 0.00 C ATOM 937 CG GLU A 57 13.383 5.462 -5.463 1.00 0.00 C ATOM 938 CD GLU A 57 14.046 6.829 -5.640 1.00 0.00 C ATOM 939 OE1 GLU A 57 14.219 7.515 -4.646 1.00 0.00 O ATOM 940 OE2 GLU A 57 14.369 7.168 -6.766 1.00 0.00 O ATOM 0 H GLU A 57 10.222 3.477 -3.234 1.00 0.00 H new ATOM 0 HA GLU A 57 11.903 3.600 -4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.189 6.117 -3.784 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.724 5.403 -3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.093 4.669 -5.697 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.549 5.358 -6.157 1.00 0.00 H new ATOM 947 N GLN A 58 13.496 3.183 -1.951 1.00 0.00 N ATOM 948 CA GLN A 58 14.413 2.252 -1.258 1.00 0.00 C ATOM 949 C GLN A 58 13.715 0.898 -1.167 1.00 0.00 C ATOM 950 O GLN A 58 14.307 -0.141 -1.382 1.00 0.00 O ATOM 951 CB GLN A 58 14.715 2.777 0.146 1.00 0.00 C ATOM 952 CG GLN A 58 15.475 4.101 0.044 1.00 0.00 C ATOM 953 CD GLN A 58 16.851 3.855 -0.577 1.00 0.00 C ATOM 954 OE1 GLN A 58 17.478 2.849 -0.313 1.00 0.00 O ATOM 955 NE2 GLN A 58 17.349 4.739 -1.398 1.00 0.00 N ATOM 0 H GLN A 58 13.153 3.958 -1.383 1.00 0.00 H new ATOM 0 HA GLN A 58 15.353 2.161 -1.802 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.787 2.920 0.700 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.307 2.048 0.699 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.912 4.810 -0.563 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.585 4.546 1.033 1.00 0.00 H new ATOM 0 HE21 GLN A 58 16.822 5.584 -1.619 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.265 4.585 -1.818 1.00 0.00 H new ATOM 964 N SER A 59 12.442 0.915 -0.874 1.00 0.00 N ATOM 965 CA SER A 59 11.673 -0.353 -0.795 1.00 0.00 C ATOM 966 C SER A 59 11.098 -0.658 -2.180 1.00 0.00 C ATOM 967 O SER A 59 10.277 -1.538 -2.346 1.00 0.00 O ATOM 968 CB SER A 59 10.534 -0.204 0.214 1.00 0.00 C ATOM 969 OG SER A 59 10.502 1.135 0.691 1.00 0.00 O ATOM 0 H SER A 59 11.902 1.760 -0.686 1.00 0.00 H new ATOM 0 HA SER A 59 12.324 -1.165 -0.473 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.583 -0.459 -0.254 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.676 -0.895 1.045 1.00 0.00 H new ATOM 0 HG SER A 59 9.581 1.378 0.922 1.00 0.00 H new ATOM 975 N LYS A 60 11.536 0.059 -3.179 1.00 0.00 N ATOM 976 CA LYS A 60 11.036 -0.196 -4.556 1.00 0.00 C ATOM 977 C LYS A 60 12.110 -0.964 -5.332 1.00 0.00 C ATOM 978 O LYS A 60 11.825 -1.685 -6.267 1.00 0.00 O ATOM 979 CB LYS A 60 10.753 1.139 -5.250 1.00 0.00 C ATOM 980 CG LYS A 60 10.364 0.889 -6.708 1.00 0.00 C ATOM 981 CD LYS A 60 10.840 2.059 -7.571 1.00 0.00 C ATOM 982 CE LYS A 60 9.744 3.124 -7.639 1.00 0.00 C ATOM 983 NZ LYS A 60 10.366 4.478 -7.643 1.00 0.00 N ATOM 0 H LYS A 60 12.220 0.811 -3.099 1.00 0.00 H new ATOM 0 HA LYS A 60 10.117 -0.780 -4.519 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.950 1.665 -4.734 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.634 1.778 -5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.810 -0.041 -7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.283 0.777 -6.793 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.751 2.486 -7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.084 1.709 -8.574 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.143 2.986 -8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.071 3.024 -6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.736 5.148 -8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.518 4.793 -6.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.279 4.439 -8.139 1.00 0.00 H new ATOM 997 N GLN A 61 13.349 -0.807 -4.946 1.00 0.00 N ATOM 998 CA GLN A 61 14.451 -1.511 -5.648 1.00 0.00 C ATOM 999 C GLN A 61 14.432 -3.002 -5.303 1.00 0.00 C ATOM 1000 O GLN A 61 14.404 -3.846 -6.177 1.00 0.00 O ATOM 1001 CB GLN A 61 15.792 -0.909 -5.223 1.00 0.00 C ATOM 1002 CG GLN A 61 15.701 0.618 -5.256 1.00 0.00 C ATOM 1003 CD GLN A 61 17.019 1.197 -5.774 1.00 0.00 C ATOM 1004 OE1 GLN A 61 17.847 0.479 -6.300 1.00 0.00 O ATOM 1005 NE2 GLN A 61 17.252 2.474 -5.646 1.00 0.00 N ATOM 0 H GLN A 61 13.642 -0.216 -4.168 1.00 0.00 H new ATOM 0 HA GLN A 61 14.317 -1.394 -6.723 1.00 0.00 H new ATOM 0 HB2 GLN A 61 16.052 -1.247 -4.220 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.584 -1.251 -5.890 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.877 0.930 -5.898 1.00 0.00 H new ATOM 0 HG3 GLN A 61 15.490 1.002 -4.258 1.00 0.00 H new ATOM 0 HE21 GLN A 61 16.558 3.077 -5.205 1.00 0.00 H new ATOM 0 HE22 GLN A 61 18.128 2.869 -5.987 1.00 0.00 H new ATOM 1014 N LEU A 62 14.464 -3.329 -4.038 1.00 0.00 N ATOM 1015 CA LEU A 62 14.464 -4.776 -3.637 1.00 0.00 C ATOM 1016 C LEU A 62 13.452 -5.510 -4.511 1.00 0.00 C ATOM 1017 O LEU A 62 13.592 -6.681 -4.805 1.00 0.00 O ATOM 1018 CB LEU A 62 14.048 -4.969 -2.165 1.00 0.00 C ATOM 1019 CG LEU A 62 13.661 -3.643 -1.519 1.00 0.00 C ATOM 1020 CD1 LEU A 62 12.419 -3.095 -2.220 1.00 0.00 C ATOM 1021 CD2 LEU A 62 13.345 -3.876 -0.039 1.00 0.00 C ATOM 0 H LEU A 62 14.490 -2.664 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 62 15.475 -5.163 -3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.208 -5.661 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.870 -5.420 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 62 14.482 -2.932 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.133 -2.146 -1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.636 -2.940 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.600 -3.807 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.068 -2.930 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.518 -4.581 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.224 -4.283 0.461 1.00 0.00 H new ATOM 1033 N THR A 63 12.432 -4.815 -4.928 1.00 0.00 N ATOM 1034 CA THR A 63 11.393 -5.440 -5.785 1.00 0.00 C ATOM 1035 C THR A 63 11.162 -4.546 -7.009 1.00 0.00 C ATOM 1036 O THR A 63 10.078 -4.048 -7.219 1.00 0.00 O ATOM 1037 CB THR A 63 10.090 -5.593 -4.980 1.00 0.00 C ATOM 1038 OG1 THR A 63 8.975 -5.494 -5.853 1.00 0.00 O ATOM 1039 CG2 THR A 63 10.000 -4.499 -3.905 1.00 0.00 C ATOM 0 H THR A 63 12.274 -3.831 -4.709 1.00 0.00 H new ATOM 0 HA THR A 63 11.718 -6.427 -6.114 1.00 0.00 H new ATOM 0 HB THR A 63 10.087 -6.569 -4.495 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.201 -4.910 -6.607 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.074 -4.617 -3.342 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.850 -4.584 -3.228 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.012 -3.519 -4.382 1.00 0.00 H new ATOM 1047 N GLU A 64 12.193 -4.355 -7.809 1.00 0.00 N ATOM 1048 CA GLU A 64 12.103 -3.504 -9.040 1.00 0.00 C ATOM 1049 C GLU A 64 10.877 -2.584 -8.996 1.00 0.00 C ATOM 1050 O GLU A 64 10.963 -1.444 -8.586 1.00 0.00 O ATOM 1051 CB GLU A 64 12.036 -4.422 -10.256 1.00 0.00 C ATOM 1052 CG GLU A 64 12.093 -3.588 -11.537 1.00 0.00 C ATOM 1053 CD GLU A 64 13.553 -3.342 -11.922 1.00 0.00 C ATOM 1054 OE1 GLU A 64 14.420 -3.900 -11.268 1.00 0.00 O ATOM 1055 OE2 GLU A 64 13.780 -2.600 -12.863 1.00 0.00 O ATOM 0 H GLU A 64 13.114 -4.765 -7.652 1.00 0.00 H new ATOM 0 HA GLU A 64 12.983 -2.864 -9.099 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.864 -5.130 -10.235 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.116 -5.006 -10.232 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.575 -4.106 -12.344 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.580 -2.638 -11.388 1.00 0.00 H new ATOM 1062 N ASN A 65 9.735 -3.073 -9.397 1.00 0.00 N ATOM 1063 CA ASN A 65 8.509 -2.230 -9.355 1.00 0.00 C ATOM 1064 C ASN A 65 7.592 -2.760 -8.252 1.00 0.00 C ATOM 1065 O ASN A 65 6.498 -3.223 -8.507 1.00 0.00 O ATOM 1066 CB ASN A 65 7.789 -2.306 -10.704 1.00 0.00 C ATOM 1067 CG ASN A 65 8.735 -1.844 -11.814 1.00 0.00 C ATOM 1068 OD1 ASN A 65 9.200 -2.643 -12.603 1.00 0.00 O ATOM 1069 ND2 ASN A 65 9.042 -0.579 -11.910 1.00 0.00 N ATOM 0 H ASN A 65 9.599 -4.020 -9.752 1.00 0.00 H new ATOM 0 HA ASN A 65 8.774 -1.192 -9.152 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.459 -3.327 -10.895 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.897 -1.680 -10.688 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.672 -0.262 -12.647 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.652 0.092 -11.248 1.00 0.00 H new ATOM 1076 N GLY A 66 8.040 -2.710 -7.025 1.00 0.00 N ATOM 1077 CA GLY A 66 7.208 -3.227 -5.903 1.00 0.00 C ATOM 1078 C GLY A 66 6.292 -2.122 -5.373 1.00 0.00 C ATOM 1079 O GLY A 66 5.095 -2.294 -5.259 1.00 0.00 O ATOM 0 H GLY A 66 8.948 -2.333 -6.753 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.611 -4.073 -6.243 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.851 -3.592 -5.102 1.00 0.00 H new ATOM 1083 N ALA A 67 6.850 -0.996 -5.028 1.00 0.00 N ATOM 1084 CA ALA A 67 6.028 0.111 -4.481 1.00 0.00 C ATOM 1085 C ALA A 67 5.278 0.841 -5.599 1.00 0.00 C ATOM 1086 O ALA A 67 4.070 0.925 -5.589 1.00 0.00 O ATOM 1087 CB ALA A 67 6.945 1.097 -3.759 1.00 0.00 C ATOM 0 H ALA A 67 7.847 -0.797 -5.103 1.00 0.00 H new ATOM 0 HA ALA A 67 5.294 -0.304 -3.790 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.351 1.916 -3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.462 0.586 -2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.677 1.494 -4.462 1.00 0.00 H new ATOM 1093 N GLU A 68 5.992 1.389 -6.543 1.00 0.00 N ATOM 1094 CA GLU A 68 5.346 2.145 -7.658 1.00 0.00 C ATOM 1095 C GLU A 68 4.005 1.517 -8.057 1.00 0.00 C ATOM 1096 O GLU A 68 3.111 2.194 -8.527 1.00 0.00 O ATOM 1097 CB GLU A 68 6.282 2.131 -8.865 1.00 0.00 C ATOM 1098 CG GLU A 68 6.671 3.564 -9.217 1.00 0.00 C ATOM 1099 CD GLU A 68 7.351 3.589 -10.588 1.00 0.00 C ATOM 1100 OE1 GLU A 68 7.691 2.525 -11.078 1.00 0.00 O ATOM 1101 OE2 GLU A 68 7.519 4.672 -11.124 1.00 0.00 O ATOM 0 H GLU A 68 7.010 1.345 -6.591 1.00 0.00 H new ATOM 0 HA GLU A 68 5.158 3.165 -7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.173 1.544 -8.642 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.792 1.656 -9.715 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.786 4.200 -9.227 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.343 3.966 -8.459 1.00 0.00 H new ATOM 1108 N SER A 69 3.859 0.233 -7.896 1.00 0.00 N ATOM 1109 CA SER A 69 2.580 -0.430 -8.291 1.00 0.00 C ATOM 1110 C SER A 69 1.505 -0.241 -7.210 1.00 0.00 C ATOM 1111 O SER A 69 0.440 0.296 -7.463 1.00 0.00 O ATOM 1112 CB SER A 69 2.834 -1.922 -8.498 1.00 0.00 C ATOM 1113 OG SER A 69 2.841 -2.208 -9.891 1.00 0.00 O ATOM 0 H SER A 69 4.568 -0.389 -7.508 1.00 0.00 H new ATOM 0 HA SER A 69 2.222 0.025 -9.215 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.787 -2.206 -8.052 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.062 -2.507 -7.999 1.00 0.00 H new ATOM 0 HG SER A 69 3.191 -3.112 -10.038 1.00 0.00 H new ATOM 1119 N VAL A 70 1.765 -0.683 -6.009 1.00 0.00 N ATOM 1120 CA VAL A 70 0.751 -0.536 -4.930 1.00 0.00 C ATOM 1121 C VAL A 70 0.334 0.925 -4.845 1.00 0.00 C ATOM 1122 O VAL A 70 -0.834 1.247 -4.770 1.00 0.00 O ATOM 1123 CB VAL A 70 1.350 -0.978 -3.597 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.348 -0.708 -2.474 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.663 -2.474 -3.652 1.00 0.00 C ATOM 0 H VAL A 70 2.634 -1.138 -5.731 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.117 -1.157 -5.151 1.00 0.00 H new ATOM 0 HB VAL A 70 2.267 -0.421 -3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.775 -1.023 -1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.123 0.358 -2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.569 -1.266 -2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.091 -2.791 -2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.745 -3.031 -3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.376 -2.667 -4.453 1.00 0.00 H new ATOM 1135 N LEU A 71 1.283 1.813 -4.876 1.00 0.00 N ATOM 1136 CA LEU A 71 0.945 3.258 -4.818 1.00 0.00 C ATOM 1137 C LEU A 71 0.020 3.581 -5.982 1.00 0.00 C ATOM 1138 O LEU A 71 -0.953 4.277 -5.833 1.00 0.00 O ATOM 1139 CB LEU A 71 2.212 4.090 -4.951 1.00 0.00 C ATOM 1140 CG LEU A 71 1.838 5.569 -5.072 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.381 6.096 -3.710 1.00 0.00 C ATOM 1142 CD2 LEU A 71 3.057 6.368 -5.542 1.00 0.00 C ATOM 0 H LEU A 71 2.279 1.601 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 71 0.463 3.486 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.854 3.936 -4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.778 3.774 -5.827 1.00 0.00 H new ATOM 0 HG LEU A 71 1.029 5.678 -5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.115 7.149 -3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.513 5.529 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.189 5.985 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.790 7.421 -5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.866 6.256 -4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.384 5.996 -6.513 1.00 0.00 H new ATOM 1154 N GLN A 72 0.316 3.067 -7.143 1.00 0.00 N ATOM 1155 CA GLN A 72 -0.557 3.330 -8.319 1.00 0.00 C ATOM 1156 C GLN A 72 -1.978 2.903 -7.967 1.00 0.00 C ATOM 1157 O GLN A 72 -2.946 3.511 -8.372 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.020 2.529 -9.527 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.055 1.519 -10.048 1.00 0.00 C ATOM 1160 CD GLN A 72 -0.402 0.608 -11.088 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -0.547 -0.685 -10.988 1.00 0.00 O flip ATOM 1162 NE2 GLN A 72 0.249 1.077 -11.999 1.00 0.00 N flip ATOM 0 H GLN A 72 1.126 2.475 -7.328 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.559 4.388 -8.579 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.251 3.217 -10.328 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.889 2.002 -9.238 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.446 0.924 -9.222 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.901 2.045 -10.490 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.362 2.088 -12.077 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.683 0.460 -12.686 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.093 1.847 -7.226 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.424 1.341 -6.837 1.00 0.00 C ATOM 1173 C VAL A 73 -4.030 2.240 -5.756 1.00 0.00 C ATOM 1174 O VAL A 73 -5.231 2.381 -5.660 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.245 -0.075 -6.309 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.524 -0.560 -5.626 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -2.882 -0.989 -7.485 1.00 0.00 C ATOM 0 H VAL A 73 -1.307 1.305 -6.868 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.100 1.342 -7.692 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.447 -0.094 -5.567 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.376 -1.574 -5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.764 0.100 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.345 -0.552 -6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.750 -2.009 -7.125 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.683 -0.966 -8.224 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.955 -0.642 -7.943 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.215 2.842 -4.936 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.766 3.724 -3.864 1.00 0.00 C ATOM 1189 C PHE A 74 -4.227 5.056 -4.473 1.00 0.00 C ATOM 1190 O PHE A 74 -5.218 5.630 -4.064 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.686 3.983 -2.809 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.767 2.923 -1.740 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.787 2.972 -0.785 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.827 1.887 -1.709 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.868 1.985 0.203 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.906 0.901 -0.719 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.927 0.950 0.237 1.00 0.00 C ATOM 0 H PHE A 74 -2.198 2.764 -4.959 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.618 3.233 -3.395 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.699 3.973 -3.272 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.822 4.971 -2.368 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.512 3.772 -0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.041 1.848 -2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.657 2.022 0.940 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.179 0.102 -0.693 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.989 0.189 1.001 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.522 5.541 -5.456 1.00 0.00 N ATOM 1208 CA ARG A 75 -3.905 6.816 -6.107 1.00 0.00 C ATOM 1209 C ARG A 75 -5.020 6.534 -7.097 1.00 0.00 C ATOM 1210 O ARG A 75 -5.888 7.347 -7.325 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.705 7.380 -6.851 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.211 8.651 -6.157 1.00 0.00 C ATOM 1213 CD ARG A 75 -2.652 9.875 -6.966 1.00 0.00 C ATOM 1214 NE ARG A 75 -1.467 10.515 -7.614 1.00 0.00 N ATOM 1215 CZ ARG A 75 -0.331 10.598 -6.978 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -0.265 11.234 -5.840 1.00 0.00 N ATOM 1217 NH2 ARG A 75 0.741 10.047 -7.480 1.00 0.00 N ATOM 0 H ARG A 75 -2.686 5.099 -5.838 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.238 7.535 -5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.906 6.639 -6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.977 7.601 -7.883 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.613 8.706 -5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.125 8.632 -6.068 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.375 9.578 -7.725 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.151 10.592 -6.314 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.547 10.889 -8.559 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.102 11.666 -5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.623 11.299 -5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.691 9.551 -8.370 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.629 10.112 -6.982 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.003 5.366 -7.670 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.067 4.983 -8.628 1.00 0.00 C ATOM 1233 C GLU A 76 -7.356 4.878 -7.824 1.00 0.00 C ATOM 1234 O GLU A 76 -8.387 5.405 -8.195 1.00 0.00 O ATOM 1235 CB GLU A 76 -5.717 3.627 -9.233 1.00 0.00 C ATOM 1236 CG GLU A 76 -4.926 3.808 -10.529 1.00 0.00 C ATOM 1237 CD GLU A 76 -5.832 3.514 -11.726 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.013 3.295 -11.510 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -5.330 3.512 -12.837 1.00 0.00 O ATOM 0 H GLU A 76 -4.289 4.655 -7.512 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.172 5.708 -9.435 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.132 3.044 -8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.629 3.064 -9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.540 4.825 -10.593 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.065 3.140 -10.538 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.284 4.228 -6.691 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.470 4.121 -5.822 1.00 0.00 C ATOM 1248 C ALA A 77 -8.808 5.540 -5.387 1.00 0.00 C ATOM 1249 O ALA A 77 -9.958 5.925 -5.306 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.155 3.251 -4.601 1.00 0.00 C ATOM 0 H ALA A 77 -6.445 3.768 -6.338 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.306 3.657 -6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.039 3.180 -3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.863 2.254 -4.930 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.338 3.700 -4.036 1.00 0.00 H new ATOM 1256 N LYS A 78 -7.796 6.341 -5.158 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.045 7.757 -4.787 1.00 0.00 C ATOM 1258 C LYS A 78 -8.791 8.396 -5.948 1.00 0.00 C ATOM 1259 O LYS A 78 -9.578 9.308 -5.794 1.00 0.00 O ATOM 1260 CB LYS A 78 -6.709 8.469 -4.627 1.00 0.00 C ATOM 1261 CG LYS A 78 -6.801 9.501 -3.501 1.00 0.00 C ATOM 1262 CD LYS A 78 -6.571 10.902 -4.073 1.00 0.00 C ATOM 1263 CE LYS A 78 -7.819 11.357 -4.833 1.00 0.00 C ATOM 1264 NZ LYS A 78 -7.618 12.747 -5.333 1.00 0.00 N ATOM 0 H LYS A 78 -6.814 6.071 -5.213 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.612 7.824 -3.859 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.925 7.745 -4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.434 8.960 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.779 9.448 -3.023 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.059 9.284 -2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.347 11.602 -3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.709 10.897 -4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.015 10.684 -5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.690 11.317 -4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.466 13.056 -5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.451 13.385 -4.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.797 12.771 -5.970 1.00 0.00 H new ATOM 1278 N ALA A 79 -8.519 7.900 -7.117 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.153 8.414 -8.344 1.00 0.00 C ATOM 1280 C ALA A 79 -10.578 7.882 -8.426 1.00 0.00 C ATOM 1281 O ALA A 79 -11.453 8.477 -9.024 1.00 0.00 O ATOM 1282 CB ALA A 79 -8.345 7.901 -9.530 1.00 0.00 C ATOM 0 H ALA A 79 -7.862 7.135 -7.272 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.179 9.504 -8.345 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.789 8.264 -10.457 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.319 8.260 -9.454 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.349 6.811 -9.529 1.00 0.00 H new ATOM 1288 N GLU A 80 -10.802 6.746 -7.833 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.145 6.121 -7.860 1.00 0.00 C ATOM 1290 C GLU A 80 -13.102 6.817 -6.881 1.00 0.00 C ATOM 1291 O GLU A 80 -14.152 6.296 -6.562 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.000 4.649 -7.471 1.00 0.00 C ATOM 1293 CG GLU A 80 -11.742 3.815 -8.725 1.00 0.00 C ATOM 1294 CD GLU A 80 -12.836 4.083 -9.761 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -13.901 4.530 -9.367 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -12.590 3.837 -10.930 1.00 0.00 O ATOM 0 H GLU A 80 -10.096 6.216 -7.322 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.562 6.217 -8.863 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.179 4.527 -6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.904 4.303 -6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.766 4.061 -9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.722 2.755 -8.470 1.00 0.00 H new ATOM 1303 N GLY A 81 -12.762 7.984 -6.401 1.00 0.00 N ATOM 1304 CA GLY A 81 -13.671 8.685 -5.452 1.00 0.00 C ATOM 1305 C GLY A 81 -13.223 8.408 -4.018 1.00 0.00 C ATOM 1306 O GLY A 81 -13.390 9.225 -3.135 1.00 0.00 O ATOM 0 H GLY A 81 -11.898 8.479 -6.624 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.660 9.757 -5.647 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.697 8.345 -5.596 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.651 7.260 -3.779 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.189 6.933 -2.405 1.00 0.00 C ATOM 1312 C CYS A 82 -11.302 8.068 -1.888 1.00 0.00 C ATOM 1313 O CYS A 82 -10.692 8.788 -2.654 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.391 5.631 -2.441 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.513 4.229 -2.215 1.00 0.00 S ATOM 0 H CYS A 82 -12.485 6.536 -4.477 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.047 6.814 -1.743 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.865 5.540 -3.392 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.634 5.634 -1.657 1.00 0.00 H new ATOM 0 HG CYS A 82 -12.322 3.705 -1.041 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.232 8.244 -0.597 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.394 9.343 -0.042 1.00 0.00 C ATOM 1323 C ASP A 83 -9.124 8.772 0.595 1.00 0.00 C ATOM 1324 O ASP A 83 -8.984 8.742 1.801 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.196 10.100 1.016 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.527 11.446 1.299 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -9.331 11.451 1.542 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.221 12.448 1.269 1.00 0.00 O ATOM 0 H ASP A 83 -11.718 7.675 0.096 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.111 10.018 -0.849 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.218 10.256 0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.255 9.512 1.932 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.189 8.334 -0.205 1.00 0.00 N ATOM 1334 CA ILE A 84 -6.922 7.784 0.357 1.00 0.00 C ATOM 1335 C ILE A 84 -5.846 8.873 0.314 1.00 0.00 C ATOM 1336 O ILE A 84 -5.124 9.003 -0.655 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.458 6.598 -0.485 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.382 5.413 -0.243 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.031 6.211 -0.091 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -7.864 4.885 -1.588 1.00 0.00 C ATOM 0 H ILE A 84 -8.248 8.333 -1.223 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.090 7.459 1.384 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.482 6.875 -1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.857 4.630 0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.231 5.715 0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.704 5.364 -0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.365 7.057 -0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.007 5.936 0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.527 4.035 -1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.403 5.672 -2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.007 4.570 -2.183 1.00 0.00 H new ATOM 1352 N THR A 85 -5.724 9.649 1.350 1.00 0.00 N ATOM 1353 CA THR A 85 -4.685 10.718 1.359 1.00 0.00 C ATOM 1354 C THR A 85 -3.334 10.101 0.995 1.00 0.00 C ATOM 1355 O THR A 85 -2.649 9.549 1.833 1.00 0.00 O ATOM 1356 CB THR A 85 -4.605 11.340 2.756 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.743 12.163 2.971 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.333 12.183 2.873 1.00 0.00 C ATOM 0 H THR A 85 -6.297 9.592 2.192 1.00 0.00 H new ATOM 0 HA THR A 85 -4.943 11.491 0.636 1.00 0.00 H new ATOM 0 HB THR A 85 -4.581 10.548 3.505 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.695 12.561 3.865 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.279 12.624 3.868 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.461 11.550 2.709 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.352 12.976 2.125 1.00 0.00 H new ATOM 1366 N ILE A 86 -2.946 10.182 -0.249 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.642 9.590 -0.654 1.00 0.00 C ATOM 1368 C ILE A 86 -0.499 10.409 -0.048 1.00 0.00 C ATOM 1369 O ILE A 86 -0.309 11.566 -0.369 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.547 9.551 -2.195 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -1.039 8.179 -2.627 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.597 10.623 -2.733 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.143 7.152 -2.411 1.00 0.00 C ATOM 0 H ILE A 86 -3.474 10.630 -0.998 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.565 8.568 -0.283 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.541 9.744 -2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.744 8.200 -3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.154 7.907 -2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.558 10.562 -3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.956 11.609 -2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.401 10.463 -2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.789 6.168 -2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.416 7.128 -1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.015 7.425 -3.005 1.00 0.00 H new ATOM 1385 N ILE A 87 0.266 9.813 0.820 1.00 0.00 N ATOM 1386 CA ILE A 87 1.399 10.548 1.438 1.00 0.00 C ATOM 1387 C ILE A 87 2.701 9.848 1.047 1.00 0.00 C ATOM 1388 O ILE A 87 2.746 8.643 0.905 1.00 0.00 O ATOM 1389 CB ILE A 87 1.235 10.548 2.959 1.00 0.00 C ATOM 1390 CG1 ILE A 87 0.152 11.556 3.351 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.556 10.941 3.622 1.00 0.00 C ATOM 1392 CD1 ILE A 87 0.015 11.592 4.874 1.00 0.00 C ATOM 0 H ILE A 87 0.155 8.847 1.128 1.00 0.00 H new ATOM 0 HA ILE A 87 1.419 11.580 1.089 1.00 0.00 H new ATOM 0 HB ILE A 87 0.948 9.550 3.291 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.409 12.546 2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.799 11.279 2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.434 10.940 4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.330 10.226 3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.847 11.938 3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.756 12.310 5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.262 10.602 5.238 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.965 11.889 5.318 1.00 0.00 H new ATOM 1404 N LEU A 88 3.755 10.587 0.858 1.00 0.00 N ATOM 1405 CA LEU A 88 5.040 9.949 0.464 1.00 0.00 C ATOM 1406 C LEU A 88 6.202 10.664 1.155 1.00 0.00 C ATOM 1407 O LEU A 88 6.817 11.553 0.601 1.00 0.00 O ATOM 1408 CB LEU A 88 5.204 10.039 -1.054 1.00 0.00 C ATOM 1409 CG LEU A 88 4.680 8.752 -1.695 1.00 0.00 C ATOM 1410 CD1 LEU A 88 3.260 8.976 -2.222 1.00 0.00 C ATOM 1411 CD2 LEU A 88 5.596 8.353 -2.852 1.00 0.00 C ATOM 0 H LEU A 88 3.784 11.602 0.959 1.00 0.00 H new ATOM 0 HA LEU A 88 5.036 8.902 0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.658 10.900 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.253 10.186 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 88 4.664 7.958 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.892 8.057 -2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.606 9.260 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.270 9.771 -2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.225 7.436 -3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.611 9.150 -3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.606 8.188 -2.476 1.00 0.00 H new ATOM 1423 N SER A 89 6.505 10.280 2.365 1.00 0.00 N ATOM 1424 CA SER A 89 7.625 10.934 3.098 1.00 0.00 C ATOM 1425 C SER A 89 8.820 9.980 3.158 1.00 0.00 C ATOM 1426 O SER A 89 9.553 10.041 4.131 1.00 0.00 O ATOM 1427 CB SER A 89 7.173 11.275 4.518 1.00 0.00 C ATOM 1428 OG SER A 89 5.813 11.688 4.492 1.00 0.00 O ATOM 1429 OXT SER A 89 8.981 9.205 2.229 1.00 0.00 O ATOM 0 H SER A 89 6.024 9.541 2.878 1.00 0.00 H new ATOM 0 HA SER A 89 7.915 11.848 2.580 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.289 10.407 5.167 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.798 12.067 4.930 1.00 0.00 H new ATOM 0 HG SER A 89 5.520 11.906 5.401 1.00 0.00 H new TER 1435 SER A 89