USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 857 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 87 ASN : amide:sc= -0.521 K(o=-1.1,f=-2.4) USER MOD Set 1.2: A 89 GLN : amide:sc= -0.553 K(o=-1.1,f=-2.2) USER MOD Set 2.1: A 68 SER OG : rot -72:sc= 0.573 USER MOD Set 2.2: A 69 GLN : amide:sc= -3.82! C(o=-3.3!,f=-7.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= -0.466 (180deg=-1.75!) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -150:sc= 0.0457 USER MOD Single : A 9 THR OG1 : rot 19:sc= 0.0922 USER MOD Single : A 11 ASN : amide:sc= -1.97! K(o=-2!,f=-0.03) USER MOD Single : A 20 TYR OH : rot 165:sc= -1.83 USER MOD Single : A 22 GLN : amide:sc= -0.83 X(o=-0.83,f=-1.1) USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0141) USER MOD Single : A 26 SER OG : rot 180:sc= -0.39 USER MOD Single : A 29 SER OG : rot 110:sc= 0.479 USER MOD Single : A 34 HIS : no HD1:sc= -3.56! C(o=-3.6!,f=-4.3!) USER MOD Single : A 39 LYS NZ :NH3+ -135:sc= -2.93! (180deg=-5.03!) USER MOD Single : A 43 THR OG1 : rot -48:sc= 1.16 USER MOD Single : A 50 GLN : amide:sc= -3.88! C(o=-3.9!,f=-6.2!) USER MOD Single : A 52 ASN : amide:sc= -0.404 K(o=-0.4,f=-2.4!) USER MOD Single : A 53 SER OG : rot -92:sc= 0.839 USER MOD Single : A 54 HIS : no HD1:sc= -14.9! C(o=-15!,f=-17!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -116:sc= -1.06 (180deg=-2.81!) USER MOD Single : A 62 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.22) USER MOD Single : A 67 LYS NZ :NH3+ 157:sc= -0.0395 (180deg=-0.344) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -2.68! K(o=-2.7!,f=-1.2) USER MOD Single : A 81 LYS NZ :NH3+ -120:sc= -1.61! (180deg=-4.48!) USER MOD Single : A 82 GLN : amide:sc= -1.05 X(o=-1,f=-0.86) USER MOD Single : A 84 LYS NZ :NH3+ 160:sc= -2.42 (180deg=-4.12!) USER MOD Single : A 90 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 100 ASN : amide:sc= -16.9! C(o=-17!,f=-6.8!) USER MOD Single : A 103 HIS : no HD1:sc= -0.338 K(o=-0.34,f=-1.1) USER MOD Single : A 104 HIS : no HD1:sc= -0.162 K(o=-0.16,f=-4.6!) USER MOD Single : A 105 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.023) USER MOD Single : A 106 HIS : no HE2:sc= -0.594! C(o=-0.59!,f=-4.2!) USER MOD Single : A 107 HIS : no HE2:sc= 0.0503 K(o=0.05,f=-2) USER MOD Single : A 108 HIS : no HD1:sc= -0.0161 K(o=-0.016,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.334 -6.171 4.690 1.00 0.00 N ATOM 2 CA MET A 1 22.083 -6.430 5.951 1.00 0.00 C ATOM 3 C MET A 1 21.253 -5.953 7.140 1.00 0.00 C ATOM 4 O MET A 1 21.465 -6.391 8.272 1.00 0.00 O ATOM 5 CB MET A 1 23.425 -5.689 5.901 1.00 0.00 C ATOM 6 CG MET A 1 24.262 -6.212 4.730 1.00 0.00 C ATOM 7 SD MET A 1 25.182 -7.682 5.252 1.00 0.00 S ATOM 8 CE MET A 1 25.625 -8.284 3.602 1.00 0.00 C ATOM 0 H1 MET A 1 21.653 -6.834 3.954 1.00 0.00 H new ATOM 0 H2 MET A 1 20.316 -6.303 4.857 1.00 0.00 H new ATOM 0 H3 MET A 1 21.509 -5.195 4.376 1.00 0.00 H new ATOM 0 HA MET A 1 22.272 -7.498 6.062 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.256 -4.618 5.789 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.964 -5.831 6.838 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.615 -6.455 3.887 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.952 -5.440 4.389 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.207 -9.201 3.693 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.718 -8.485 3.032 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.217 -7.528 3.086 1.00 0.00 H new ATOM 17 N ASP A 2 20.300 -5.060 6.874 1.00 0.00 N ATOM 18 CA ASP A 2 19.433 -4.532 7.928 1.00 0.00 C ATOM 19 C ASP A 2 18.273 -3.738 7.329 1.00 0.00 C ATOM 20 O ASP A 2 17.111 -3.976 7.659 1.00 0.00 O ATOM 21 CB ASP A 2 20.235 -3.639 8.882 1.00 0.00 C ATOM 22 CG ASP A 2 21.240 -2.794 8.099 1.00 0.00 C ATOM 23 OD1 ASP A 2 20.849 -1.750 7.600 1.00 0.00 O ATOM 24 OD2 ASP A 2 22.386 -3.204 8.011 1.00 0.00 O ATOM 0 H ASP A 2 20.109 -4.689 5.943 1.00 0.00 H new ATOM 0 HA ASP A 2 19.027 -5.376 8.486 1.00 0.00 H new ATOM 0 HB2 ASP A 2 19.559 -2.990 9.438 1.00 0.00 H new ATOM 0 HB3 ASP A 2 20.759 -4.255 9.613 1.00 0.00 H new ATOM 29 N GLY A 3 18.599 -2.792 6.449 1.00 0.00 N ATOM 30 CA GLY A 3 17.581 -1.962 5.809 1.00 0.00 C ATOM 31 C GLY A 3 17.300 -0.703 6.626 1.00 0.00 C ATOM 32 O GLY A 3 16.610 0.206 6.160 1.00 0.00 O ATOM 0 H GLY A 3 19.556 -2.582 6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 3 17.912 -1.683 4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 3 16.661 -2.535 5.692 1.00 0.00 H new ATOM 36 N VAL A 4 17.836 -0.658 7.845 1.00 0.00 N ATOM 37 CA VAL A 4 17.640 0.493 8.730 1.00 0.00 C ATOM 38 C VAL A 4 16.156 0.850 8.821 1.00 0.00 C ATOM 39 O VAL A 4 15.746 1.928 8.390 1.00 0.00 O ATOM 40 CB VAL A 4 18.439 1.701 8.216 1.00 0.00 C ATOM 41 CG1 VAL A 4 18.524 2.768 9.313 1.00 0.00 C ATOM 42 CG2 VAL A 4 19.854 1.258 7.836 1.00 0.00 C ATOM 0 H VAL A 4 18.408 -1.403 8.243 1.00 0.00 H new ATOM 0 HA VAL A 4 17.999 0.228 9.725 1.00 0.00 H new ATOM 0 HB VAL A 4 17.937 2.115 7.341 1.00 0.00 H new ATOM 0 HG11 VAL A 4 19.091 3.623 8.946 1.00 0.00 H new ATOM 0 HG12 VAL A 4 17.519 3.089 9.587 1.00 0.00 H new ATOM 0 HG13 VAL A 4 19.022 2.351 10.188 1.00 0.00 H new ATOM 0 HG21 VAL A 4 20.419 2.116 7.472 1.00 0.00 H new ATOM 0 HG22 VAL A 4 20.352 0.841 8.711 1.00 0.00 H new ATOM 0 HG23 VAL A 4 19.800 0.501 7.054 1.00 0.00 H new ATOM 52 N MET A 5 15.367 -0.071 9.387 1.00 0.00 N ATOM 53 CA MET A 5 13.921 0.120 9.548 1.00 0.00 C ATOM 54 C MET A 5 13.324 0.941 8.414 1.00 0.00 C ATOM 55 O MET A 5 13.330 2.174 8.458 1.00 0.00 O ATOM 56 CB MET A 5 13.599 0.812 10.875 1.00 0.00 C ATOM 57 CG MET A 5 14.761 1.713 11.315 1.00 0.00 C ATOM 58 SD MET A 5 14.369 2.467 12.917 1.00 0.00 S ATOM 59 CE MET A 5 14.334 4.193 12.368 1.00 0.00 C ATOM 0 H MET A 5 15.710 -0.963 9.744 1.00 0.00 H new ATOM 0 HA MET A 5 13.478 -0.876 9.534 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.692 1.407 10.770 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.402 0.063 11.643 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.679 1.130 11.390 1.00 0.00 H new ATOM 0 HG3 MET A 5 14.936 2.488 10.569 1.00 0.00 H new ATOM 0 HE1 MET A 5 14.106 4.840 13.215 1.00 0.00 H new ATOM 0 HE2 MET A 5 15.306 4.464 11.957 1.00 0.00 H new ATOM 0 HE3 MET A 5 13.569 4.316 11.601 1.00 0.00 H new ATOM 69 N SER A 6 12.787 0.262 7.414 1.00 0.00 N ATOM 70 CA SER A 6 12.180 0.945 6.301 1.00 0.00 C ATOM 71 C SER A 6 10.747 0.472 6.127 1.00 0.00 C ATOM 72 O SER A 6 10.195 -0.200 6.995 1.00 0.00 O ATOM 73 CB SER A 6 12.987 0.687 5.025 1.00 0.00 C ATOM 74 OG SER A 6 13.293 -0.699 4.934 1.00 0.00 O ATOM 0 H SER A 6 12.762 -0.756 7.357 1.00 0.00 H new ATOM 0 HA SER A 6 12.174 2.017 6.497 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.418 1.004 4.151 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.905 1.274 5.037 1.00 0.00 H new ATOM 0 HG SER A 6 14.141 -0.816 4.457 1.00 0.00 H new ATOM 80 N ALA A 7 10.159 0.839 5.004 1.00 0.00 N ATOM 81 CA ALA A 7 8.780 0.471 4.687 1.00 0.00 C ATOM 82 C ALA A 7 8.208 1.435 3.663 1.00 0.00 C ATOM 83 O ALA A 7 7.195 1.148 3.028 1.00 0.00 O ATOM 84 CB ALA A 7 7.905 0.512 5.942 1.00 0.00 C ATOM 0 H ALA A 7 10.616 1.399 4.284 1.00 0.00 H new ATOM 0 HA ALA A 7 8.786 -0.542 4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.883 0.235 5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.295 -0.189 6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.913 1.519 6.358 1.00 0.00 H new ATOM 90 N VAL A 8 8.858 2.587 3.516 1.00 0.00 N ATOM 91 CA VAL A 8 8.396 3.592 2.569 1.00 0.00 C ATOM 92 C VAL A 8 9.524 4.556 2.206 1.00 0.00 C ATOM 93 O VAL A 8 10.497 4.701 2.946 1.00 0.00 O ATOM 94 CB VAL A 8 7.200 4.359 3.169 1.00 0.00 C ATOM 95 CG1 VAL A 8 7.359 4.448 4.689 1.00 0.00 C ATOM 96 CG2 VAL A 8 7.123 5.782 2.594 1.00 0.00 C ATOM 0 H VAL A 8 9.697 2.844 4.036 1.00 0.00 H new ATOM 0 HA VAL A 8 8.076 3.092 1.655 1.00 0.00 H new ATOM 0 HB VAL A 8 6.286 3.822 2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.513 4.990 5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.394 3.443 5.111 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.283 4.974 4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.272 6.305 3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.041 6.320 2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.001 5.731 1.512 1.00 0.00 H new ATOM 106 N THR A 9 9.380 5.204 1.050 1.00 0.00 N ATOM 107 CA THR A 9 10.387 6.145 0.573 1.00 0.00 C ATOM 108 C THR A 9 9.721 7.310 -0.161 1.00 0.00 C ATOM 109 O THR A 9 8.748 7.119 -0.888 1.00 0.00 O ATOM 110 CB THR A 9 11.353 5.406 -0.359 1.00 0.00 C ATOM 111 OG1 THR A 9 12.351 4.757 0.416 1.00 0.00 O ATOM 112 CG2 THR A 9 12.020 6.386 -1.331 1.00 0.00 C ATOM 0 H THR A 9 8.578 5.093 0.430 1.00 0.00 H new ATOM 0 HA THR A 9 10.939 6.552 1.420 1.00 0.00 H new ATOM 0 HB THR A 9 10.791 4.670 -0.934 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.038 4.664 1.340 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.702 5.843 -1.985 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.256 6.878 -1.933 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.577 7.135 -0.768 1.00 0.00 H new ATOM 120 N VAL A 10 10.261 8.513 0.033 1.00 0.00 N ATOM 121 CA VAL A 10 9.725 9.709 -0.612 1.00 0.00 C ATOM 122 C VAL A 10 10.660 10.175 -1.723 1.00 0.00 C ATOM 123 O VAL A 10 11.684 10.809 -1.464 1.00 0.00 O ATOM 124 CB VAL A 10 9.554 10.836 0.415 1.00 0.00 C ATOM 125 CG1 VAL A 10 8.260 10.617 1.205 1.00 0.00 C ATOM 126 CG2 VAL A 10 10.748 10.847 1.377 1.00 0.00 C ATOM 0 H VAL A 10 11.069 8.684 0.632 1.00 0.00 H new ATOM 0 HA VAL A 10 8.753 9.461 -1.040 1.00 0.00 H new ATOM 0 HB VAL A 10 9.504 11.792 -0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.139 11.418 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.411 10.618 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.307 9.659 1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.622 11.649 2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.805 9.891 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.667 11.009 0.814 1.00 0.00 H new ATOM 136 N ASN A 11 10.297 9.861 -2.960 1.00 0.00 N ATOM 137 CA ASN A 11 11.107 10.255 -4.108 1.00 0.00 C ATOM 138 C ASN A 11 10.820 11.705 -4.486 1.00 0.00 C ATOM 139 O ASN A 11 10.369 12.496 -3.658 1.00 0.00 O ATOM 140 CB ASN A 11 10.806 9.350 -5.309 1.00 0.00 C ATOM 141 CG ASN A 11 10.743 7.890 -4.876 1.00 0.00 C ATOM 142 OD1 ASN A 11 11.766 7.299 -4.530 1.00 0.00 O ATOM 143 ND2 ASN A 11 9.596 7.268 -4.878 1.00 0.00 N ATOM 0 H ASN A 11 9.453 9.338 -3.194 1.00 0.00 H new ATOM 0 HA ASN A 11 12.157 10.154 -3.835 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.859 9.642 -5.763 1.00 0.00 H new ATOM 0 HB3 ASN A 11 11.577 9.477 -6.069 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.546 6.290 -4.592 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.750 7.760 -5.165 1.00 0.00 H new ATOM 150 N ASP A 12 11.069 12.034 -5.749 1.00 0.00 N ATOM 151 CA ASP A 12 10.824 13.379 -6.252 1.00 0.00 C ATOM 152 C ASP A 12 9.608 13.355 -7.162 1.00 0.00 C ATOM 153 O ASP A 12 9.319 14.321 -7.872 1.00 0.00 O ATOM 154 CB ASP A 12 12.042 13.874 -7.033 1.00 0.00 C ATOM 155 CG ASP A 12 13.146 14.299 -6.069 1.00 0.00 C ATOM 156 OD1 ASP A 12 13.013 15.358 -5.477 1.00 0.00 O ATOM 157 OD2 ASP A 12 14.107 13.561 -5.934 1.00 0.00 O ATOM 0 H ASP A 12 11.441 11.386 -6.443 1.00 0.00 H new ATOM 0 HA ASP A 12 10.644 14.053 -5.415 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.407 13.085 -7.691 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.760 14.714 -7.668 1.00 0.00 H new ATOM 162 N ASP A 13 8.911 12.226 -7.140 1.00 0.00 N ATOM 163 CA ASP A 13 7.732 12.035 -7.968 1.00 0.00 C ATOM 164 C ASP A 13 6.524 11.694 -7.097 1.00 0.00 C ATOM 165 O ASP A 13 5.378 11.940 -7.476 1.00 0.00 O ATOM 166 CB ASP A 13 8.012 10.902 -8.961 1.00 0.00 C ATOM 167 CG ASP A 13 6.867 10.741 -9.967 1.00 0.00 C ATOM 168 OD1 ASP A 13 6.054 11.646 -10.076 1.00 0.00 O ATOM 169 OD2 ASP A 13 6.828 9.713 -10.623 1.00 0.00 O ATOM 0 H ASP A 13 9.146 11.425 -6.553 1.00 0.00 H new ATOM 0 HA ASP A 13 7.507 12.953 -8.511 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.940 11.106 -9.494 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.155 9.968 -8.418 1.00 0.00 H new ATOM 174 N GLY A 14 6.794 11.130 -5.923 1.00 0.00 N ATOM 175 CA GLY A 14 5.726 10.765 -4.999 1.00 0.00 C ATOM 176 C GLY A 14 6.281 10.019 -3.789 1.00 0.00 C ATOM 177 O GLY A 14 7.225 10.480 -3.145 1.00 0.00 O ATOM 0 H GLY A 14 7.735 10.917 -5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.203 11.663 -4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.994 10.140 -5.512 1.00 0.00 H new ATOM 181 N LEU A 15 5.687 8.866 -3.488 1.00 0.00 N ATOM 182 CA LEU A 15 6.126 8.062 -2.347 1.00 0.00 C ATOM 183 C LEU A 15 5.988 6.571 -2.634 1.00 0.00 C ATOM 184 O LEU A 15 5.224 6.158 -3.507 1.00 0.00 O ATOM 185 CB LEU A 15 5.314 8.410 -1.094 1.00 0.00 C ATOM 186 CG LEU A 15 3.866 8.741 -1.473 1.00 0.00 C ATOM 187 CD1 LEU A 15 2.915 7.835 -0.689 1.00 0.00 C ATOM 188 CD2 LEU A 15 3.574 10.203 -1.133 1.00 0.00 C ATOM 0 H LEU A 15 4.907 8.469 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 15 7.177 8.292 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.332 7.573 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.767 9.260 -0.583 1.00 0.00 H new ATOM 0 HG LEU A 15 3.722 8.580 -2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.885 8.069 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.124 6.793 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.057 7.996 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.545 10.440 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.716 10.363 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.253 10.849 -1.690 1.00 0.00 H new ATOM 200 N VAL A 16 6.742 5.772 -1.882 1.00 0.00 N ATOM 201 CA VAL A 16 6.724 4.321 -2.034 1.00 0.00 C ATOM 202 C VAL A 16 6.059 3.670 -0.826 1.00 0.00 C ATOM 203 O VAL A 16 6.296 4.071 0.312 1.00 0.00 O ATOM 204 CB VAL A 16 8.157 3.798 -2.173 1.00 0.00 C ATOM 205 CG1 VAL A 16 8.136 2.369 -2.724 1.00 0.00 C ATOM 206 CG2 VAL A 16 8.935 4.703 -3.132 1.00 0.00 C ATOM 0 H VAL A 16 7.376 6.109 -1.158 1.00 0.00 H new ATOM 0 HA VAL A 16 6.155 4.070 -2.929 1.00 0.00 H new ATOM 0 HB VAL A 16 8.639 3.798 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.158 2.001 -2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.582 1.724 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.654 2.363 -3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.956 4.334 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.450 4.701 -4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.954 5.719 -2.738 1.00 0.00 H new ATOM 216 N LEU A 17 5.234 2.661 -1.081 1.00 0.00 N ATOM 217 CA LEU A 17 4.546 1.957 -0.005 1.00 0.00 C ATOM 218 C LEU A 17 5.022 0.507 0.043 1.00 0.00 C ATOM 219 O LEU A 17 4.459 -0.362 -0.623 1.00 0.00 O ATOM 220 CB LEU A 17 3.031 1.998 -0.249 1.00 0.00 C ATOM 221 CG LEU A 17 2.268 1.986 1.082 1.00 0.00 C ATOM 222 CD1 LEU A 17 2.830 0.899 2.005 1.00 0.00 C ATOM 223 CD2 LEU A 17 2.393 3.352 1.768 1.00 0.00 C ATOM 0 H LEU A 17 5.026 2.314 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 17 4.770 2.441 0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.773 2.893 -0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.731 1.142 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 17 1.218 1.776 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.280 0.901 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.726 -0.075 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.884 1.097 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.849 3.336 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.444 3.569 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.975 4.123 1.121 1.00 0.00 H new ATOM 235 N ARG A 18 6.059 0.253 0.838 1.00 0.00 N ATOM 236 CA ARG A 18 6.603 -1.097 0.962 1.00 0.00 C ATOM 237 C ARG A 18 6.032 -1.790 2.199 1.00 0.00 C ATOM 238 O ARG A 18 6.368 -1.434 3.328 1.00 0.00 O ATOM 239 CB ARG A 18 8.139 -1.043 1.059 1.00 0.00 C ATOM 240 CG ARG A 18 8.674 0.259 0.442 1.00 0.00 C ATOM 241 CD ARG A 18 10.140 0.074 0.035 1.00 0.00 C ATOM 242 NE ARG A 18 10.913 -0.473 1.150 1.00 0.00 N ATOM 243 CZ ARG A 18 12.244 -0.536 1.110 1.00 0.00 C ATOM 244 NH1 ARG A 18 12.879 -0.340 -0.013 1.00 0.00 N ATOM 245 NH2 ARG A 18 12.913 -0.803 2.196 1.00 0.00 N ATOM 0 H ARG A 18 6.536 0.957 1.401 1.00 0.00 H new ATOM 0 HA ARG A 18 6.320 -1.666 0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.446 -1.110 2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.572 -1.901 0.544 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.077 0.533 -0.428 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.586 1.075 1.159 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.204 -0.595 -0.823 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.562 1.030 -0.274 1.00 0.00 H new ATOM 0 HE ARG A 18 10.422 -0.814 1.977 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.357 -0.137 -0.865 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.897 -0.389 -0.038 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.418 -0.963 3.073 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.931 -0.852 2.169 1.00 0.00 H new ATOM 259 N LEU A 19 5.168 -2.782 1.980 1.00 0.00 N ATOM 260 CA LEU A 19 4.564 -3.517 3.094 1.00 0.00 C ATOM 261 C LEU A 19 4.354 -4.985 2.731 1.00 0.00 C ATOM 262 O LEU A 19 4.671 -5.413 1.621 1.00 0.00 O ATOM 263 CB LEU A 19 3.231 -2.869 3.515 1.00 0.00 C ATOM 264 CG LEU A 19 2.128 -3.137 2.478 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.415 -4.462 2.790 1.00 0.00 C ATOM 266 CD2 LEU A 19 1.101 -1.999 2.530 1.00 0.00 C ATOM 0 H LEU A 19 4.873 -3.093 1.054 1.00 0.00 H new ATOM 0 HA LEU A 19 5.252 -3.471 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.924 -3.260 4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.368 -1.794 3.634 1.00 0.00 H new ATOM 0 HG LEU A 19 2.580 -3.196 1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.636 -4.640 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.136 -5.279 2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.966 -4.409 3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.316 -2.183 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.662 -1.950 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.594 -1.053 2.304 1.00 0.00 H new ATOM 278 N TYR A 20 3.830 -5.748 3.686 1.00 0.00 N ATOM 279 CA TYR A 20 3.585 -7.173 3.490 1.00 0.00 C ATOM 280 C TYR A 20 2.082 -7.451 3.440 1.00 0.00 C ATOM 281 O TYR A 20 1.405 -7.439 4.470 1.00 0.00 O ATOM 282 CB TYR A 20 4.226 -7.949 4.645 1.00 0.00 C ATOM 283 CG TYR A 20 4.348 -9.415 4.304 1.00 0.00 C ATOM 284 CD1 TYR A 20 5.325 -9.852 3.399 1.00 0.00 C ATOM 285 CD2 TYR A 20 3.501 -10.343 4.920 1.00 0.00 C ATOM 286 CE1 TYR A 20 5.452 -11.216 3.112 1.00 0.00 C ATOM 287 CE2 TYR A 20 3.624 -11.705 4.629 1.00 0.00 C ATOM 288 CZ TYR A 20 4.601 -12.141 3.728 1.00 0.00 C ATOM 289 OH TYR A 20 4.731 -13.487 3.455 1.00 0.00 O ATOM 0 H TYR A 20 3.566 -5.401 4.608 1.00 0.00 H new ATOM 0 HA TYR A 20 4.023 -7.492 2.544 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.212 -7.538 4.862 1.00 0.00 H new ATOM 0 HB3 TYR A 20 3.625 -7.830 5.547 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.979 -9.137 2.923 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.751 -10.007 5.621 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.206 -11.554 2.416 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.965 -12.420 5.100 1.00 0.00 H new ATOM 0 HH TYR A 20 4.242 -14.006 4.128 1.00 0.00 H new ATOM 299 N ILE A 21 1.567 -7.696 2.236 1.00 0.00 N ATOM 300 CA ILE A 21 0.144 -7.971 2.065 1.00 0.00 C ATOM 301 C ILE A 21 -0.190 -9.342 2.640 1.00 0.00 C ATOM 302 O ILE A 21 0.441 -10.342 2.298 1.00 0.00 O ATOM 303 CB ILE A 21 -0.232 -7.909 0.572 1.00 0.00 C ATOM 304 CG1 ILE A 21 -0.561 -6.456 0.185 1.00 0.00 C ATOM 305 CG2 ILE A 21 -1.450 -8.800 0.288 1.00 0.00 C ATOM 306 CD1 ILE A 21 -1.988 -6.100 0.619 1.00 0.00 C ATOM 0 H ILE A 21 2.110 -7.709 1.372 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.432 -7.215 2.599 1.00 0.00 H new ATOM 0 HB ILE A 21 0.612 -8.267 -0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.150 -5.777 0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.458 -6.327 -0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.702 -8.745 -0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.216 -9.831 0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.298 -8.457 0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.207 -5.070 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.695 -6.768 0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.077 -6.209 1.700 1.00 0.00 H new ATOM 318 N GLN A 22 -1.182 -9.370 3.524 1.00 0.00 N ATOM 319 CA GLN A 22 -1.601 -10.613 4.158 1.00 0.00 C ATOM 320 C GLN A 22 -3.094 -10.844 3.927 1.00 0.00 C ATOM 321 O GLN A 22 -3.929 -10.469 4.753 1.00 0.00 O ATOM 322 CB GLN A 22 -1.297 -10.555 5.664 1.00 0.00 C ATOM 323 CG GLN A 22 -0.984 -11.963 6.181 1.00 0.00 C ATOM 324 CD GLN A 22 -2.176 -12.885 5.942 1.00 0.00 C ATOM 325 OE1 GLN A 22 -3.142 -12.860 6.702 1.00 0.00 O ATOM 326 NE2 GLN A 22 -2.166 -13.697 4.921 1.00 0.00 N ATOM 0 H GLN A 22 -1.709 -8.547 3.817 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.049 -11.443 3.717 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.451 -9.893 5.849 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.150 -10.141 6.202 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.102 -12.357 5.676 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.751 -11.925 7.245 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.363 -13.716 4.292 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.961 -14.313 4.752 1.00 0.00 H new ATOM 335 N PRO A 23 -3.445 -11.449 2.820 1.00 0.00 N ATOM 336 CA PRO A 23 -4.865 -11.729 2.474 1.00 0.00 C ATOM 337 C PRO A 23 -5.432 -12.885 3.294 1.00 0.00 C ATOM 338 O PRO A 23 -4.682 -13.680 3.858 1.00 0.00 O ATOM 339 CB PRO A 23 -4.835 -12.079 0.976 1.00 0.00 C ATOM 340 CG PRO A 23 -3.407 -11.977 0.528 1.00 0.00 C ATOM 341 CD PRO A 23 -2.535 -11.933 1.780 1.00 0.00 C ATOM 0 HA PRO A 23 -5.509 -10.877 2.692 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.221 -13.084 0.808 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.467 -11.396 0.408 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -3.139 -12.830 -0.096 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.257 -11.081 -0.075 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.135 -12.917 2.024 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.683 -11.266 1.651 1.00 0.00 H new ATOM 349 N LYS A 24 -6.762 -12.963 3.351 1.00 0.00 N ATOM 350 CA LYS A 24 -7.445 -14.018 4.102 1.00 0.00 C ATOM 351 C LYS A 24 -7.349 -13.770 5.603 1.00 0.00 C ATOM 352 O LYS A 24 -7.115 -14.694 6.383 1.00 0.00 O ATOM 353 CB LYS A 24 -6.862 -15.401 3.770 1.00 0.00 C ATOM 354 CG LYS A 24 -6.835 -15.607 2.253 1.00 0.00 C ATOM 355 CD LYS A 24 -5.966 -16.822 1.918 1.00 0.00 C ATOM 356 CE LYS A 24 -4.526 -16.371 1.658 1.00 0.00 C ATOM 357 NZ LYS A 24 -3.659 -17.568 1.470 1.00 0.00 N ATOM 0 H LYS A 24 -7.389 -12.307 2.885 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.494 -13.999 3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.854 -15.487 4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.462 -16.180 4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.847 -15.756 1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.440 -14.718 1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.990 -17.537 2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.361 -17.333 1.040 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.486 -15.737 0.772 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.164 -15.774 2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.699 -17.264 1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.622 -18.112 2.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.050 -18.165 0.713 1.00 0.00 H new ATOM 371 N ALA A 25 -7.556 -12.519 6.006 1.00 0.00 N ATOM 372 CA ALA A 25 -7.517 -12.163 7.406 1.00 0.00 C ATOM 373 C ALA A 25 -8.921 -12.271 7.976 1.00 0.00 C ATOM 374 O ALA A 25 -9.227 -13.176 8.749 1.00 0.00 O ATOM 375 CB ALA A 25 -6.990 -10.734 7.552 1.00 0.00 C ATOM 0 H ALA A 25 -7.752 -11.741 5.376 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.854 -12.836 7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.960 -10.463 8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.986 -10.672 7.133 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.648 -10.047 7.020 1.00 0.00 H new ATOM 381 N SER A 26 -9.765 -11.332 7.565 1.00 0.00 N ATOM 382 CA SER A 26 -11.158 -11.280 7.995 1.00 0.00 C ATOM 383 C SER A 26 -11.712 -9.894 7.712 1.00 0.00 C ATOM 384 O SER A 26 -12.922 -9.705 7.580 1.00 0.00 O ATOM 385 CB SER A 26 -11.279 -11.573 9.495 1.00 0.00 C ATOM 386 OG SER A 26 -10.167 -11.006 10.179 1.00 0.00 O ATOM 0 H SER A 26 -9.503 -10.584 6.923 1.00 0.00 H new ATOM 0 HA SER A 26 -11.721 -12.035 7.447 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.209 -11.158 9.884 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.314 -12.649 9.665 1.00 0.00 H new ATOM 0 HG SER A 26 -10.244 -11.191 11.138 1.00 0.00 H new ATOM 392 N ARG A 27 -10.800 -8.931 7.620 1.00 0.00 N ATOM 393 CA ARG A 27 -11.172 -7.546 7.359 1.00 0.00 C ATOM 394 C ARG A 27 -9.924 -6.709 7.105 1.00 0.00 C ATOM 395 O ARG A 27 -8.892 -6.925 7.741 1.00 0.00 O ATOM 396 CB ARG A 27 -11.939 -6.975 8.557 1.00 0.00 C ATOM 397 CG ARG A 27 -11.213 -7.341 9.860 1.00 0.00 C ATOM 398 CD ARG A 27 -11.838 -6.583 11.034 1.00 0.00 C ATOM 399 NE ARG A 27 -11.054 -6.799 12.248 1.00 0.00 N ATOM 400 CZ ARG A 27 -11.102 -5.943 13.264 1.00 0.00 C ATOM 401 NH1 ARG A 27 -10.498 -4.788 13.177 1.00 0.00 N ATOM 402 NH2 ARG A 27 -11.749 -6.258 14.352 1.00 0.00 N ATOM 0 H ARG A 27 -9.797 -9.085 7.723 1.00 0.00 H new ATOM 0 HA ARG A 27 -11.810 -7.514 6.476 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -12.020 -5.892 8.466 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -12.955 -7.370 8.572 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.278 -8.415 10.033 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.154 -7.094 9.779 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.883 -5.518 10.806 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -12.863 -6.920 11.189 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.458 -7.624 12.317 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.988 -4.542 12.328 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.536 -4.133 13.958 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.218 -7.161 14.423 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.786 -5.601 15.132 1.00 0.00 H new ATOM 416 N ASP A 28 -10.024 -5.753 6.185 1.00 0.00 N ATOM 417 CA ASP A 28 -8.889 -4.892 5.878 1.00 0.00 C ATOM 418 C ASP A 28 -8.509 -4.080 7.097 1.00 0.00 C ATOM 419 O ASP A 28 -9.008 -2.975 7.320 1.00 0.00 O ATOM 420 CB ASP A 28 -9.197 -3.957 4.716 1.00 0.00 C ATOM 421 CG ASP A 28 -10.704 -3.846 4.489 1.00 0.00 C ATOM 422 OD1 ASP A 28 -11.246 -4.698 3.807 1.00 0.00 O ATOM 423 OD2 ASP A 28 -11.291 -2.908 5.000 1.00 0.00 O ATOM 0 H ASP A 28 -10.868 -5.558 5.646 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.055 -5.531 5.589 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.782 -2.970 4.919 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.715 -4.325 3.810 1.00 0.00 H new ATOM 428 N SER A 29 -7.626 -4.658 7.884 1.00 0.00 N ATOM 429 CA SER A 29 -7.158 -4.016 9.109 1.00 0.00 C ATOM 430 C SER A 29 -5.632 -4.034 9.194 1.00 0.00 C ATOM 431 O SER A 29 -5.007 -5.090 9.085 1.00 0.00 O ATOM 432 CB SER A 29 -7.752 -4.728 10.328 1.00 0.00 C ATOM 433 OG SER A 29 -9.040 -4.193 10.601 1.00 0.00 O ATOM 0 H SER A 29 -7.213 -5.573 7.703 1.00 0.00 H new ATOM 0 HA SER A 29 -7.487 -2.977 9.095 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.823 -5.799 10.140 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.101 -4.599 11.193 1.00 0.00 H new ATOM 0 HG SER A 29 -9.724 -4.861 10.386 1.00 0.00 H new ATOM 439 N ILE A 30 -5.041 -2.860 9.411 1.00 0.00 N ATOM 440 CA ILE A 30 -3.586 -2.749 9.539 1.00 0.00 C ATOM 441 C ILE A 30 -3.193 -3.086 10.977 1.00 0.00 C ATOM 442 O ILE A 30 -2.737 -2.233 11.740 1.00 0.00 O ATOM 443 CB ILE A 30 -3.105 -1.335 9.158 1.00 0.00 C ATOM 444 CG1 ILE A 30 -4.309 -0.396 8.981 1.00 0.00 C ATOM 445 CG2 ILE A 30 -2.320 -1.404 7.846 1.00 0.00 C ATOM 446 CD1 ILE A 30 -3.849 0.929 8.366 1.00 0.00 C ATOM 0 H ILE A 30 -5.542 -1.976 9.502 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.107 -3.450 8.855 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.467 -0.950 9.953 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.056 -0.865 8.340 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.785 -0.214 9.945 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.978 -0.405 7.574 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.459 -2.061 7.971 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.963 -1.795 7.057 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.707 1.590 8.243 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.118 1.401 9.023 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.394 0.740 7.394 1.00 0.00 H new ATOM 458 N VAL A 31 -3.424 -4.342 11.334 1.00 0.00 N ATOM 459 CA VAL A 31 -3.156 -4.843 12.679 1.00 0.00 C ATOM 460 C VAL A 31 -1.774 -5.489 12.813 1.00 0.00 C ATOM 461 O VAL A 31 -1.538 -6.254 13.749 1.00 0.00 O ATOM 462 CB VAL A 31 -4.213 -5.873 13.067 1.00 0.00 C ATOM 463 CG1 VAL A 31 -5.434 -5.168 13.673 1.00 0.00 C ATOM 464 CG2 VAL A 31 -4.645 -6.677 11.835 1.00 0.00 C ATOM 0 H VAL A 31 -3.803 -5.045 10.700 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.186 -3.979 13.343 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.785 -6.552 13.805 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.184 -5.910 13.947 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.130 -4.614 14.561 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.856 -4.479 12.942 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.399 -7.409 12.124 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.062 -6.002 11.088 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.781 -7.193 11.416 1.00 0.00 H new ATOM 474 N GLY A 32 -0.871 -5.206 11.885 1.00 0.00 N ATOM 475 CA GLY A 32 0.460 -5.805 11.932 1.00 0.00 C ATOM 476 C GLY A 32 1.499 -4.804 11.473 1.00 0.00 C ATOM 477 O GLY A 32 2.461 -5.142 10.785 1.00 0.00 O ATOM 0 H GLY A 32 -1.029 -4.575 11.100 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.684 -6.133 12.947 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.491 -6.690 11.297 1.00 0.00 H new ATOM 481 N LEU A 33 1.289 -3.567 11.885 1.00 0.00 N ATOM 482 CA LEU A 33 2.188 -2.485 11.552 1.00 0.00 C ATOM 483 C LEU A 33 3.425 -2.552 12.436 1.00 0.00 C ATOM 484 O LEU A 33 3.330 -2.456 13.660 1.00 0.00 O ATOM 485 CB LEU A 33 1.449 -1.166 11.757 1.00 0.00 C ATOM 486 CG LEU A 33 0.315 -1.057 10.736 1.00 0.00 C ATOM 487 CD1 LEU A 33 -0.240 0.369 10.734 1.00 0.00 C ATOM 488 CD2 LEU A 33 0.845 -1.405 9.341 1.00 0.00 C ATOM 0 H LEU A 33 0.492 -3.288 12.458 1.00 0.00 H new ATOM 0 HA LEU A 33 2.510 -2.564 10.514 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.048 -1.114 12.769 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.138 -0.329 11.643 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.480 -1.752 11.004 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.048 0.444 10.006 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.622 0.612 11.726 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.553 1.068 10.469 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.036 -1.327 8.615 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.643 -0.713 9.072 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.234 -2.423 9.343 1.00 0.00 H new ATOM 500 N HIS A 34 4.580 -2.744 11.805 1.00 0.00 N ATOM 501 CA HIS A 34 5.831 -2.853 12.544 1.00 0.00 C ATOM 502 C HIS A 34 6.636 -1.557 12.472 1.00 0.00 C ATOM 503 O HIS A 34 6.435 -0.735 11.579 1.00 0.00 O ATOM 504 CB HIS A 34 6.657 -4.016 11.977 1.00 0.00 C ATOM 505 CG HIS A 34 7.878 -4.244 12.830 1.00 0.00 C ATOM 506 ND1 HIS A 34 9.105 -4.596 12.288 1.00 0.00 N ATOM 507 CD2 HIS A 34 8.076 -4.179 14.189 1.00 0.00 C ATOM 508 CE1 HIS A 34 9.976 -4.729 13.306 1.00 0.00 C ATOM 509 NE2 HIS A 34 9.400 -4.486 14.485 1.00 0.00 N ATOM 0 H HIS A 34 4.674 -2.827 10.793 1.00 0.00 H new ATOM 0 HA HIS A 34 5.597 -3.041 13.592 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.051 -4.922 11.945 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.955 -3.796 10.952 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.318 -3.928 14.916 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.014 -4.999 13.183 1.00 0.00 H new ATOM 0 HE2 HIS A 34 9.837 -4.518 15.406 1.00 0.00 H new ATOM 517 N GLY A 35 7.552 -1.386 13.421 1.00 0.00 N ATOM 518 CA GLY A 35 8.389 -0.195 13.451 1.00 0.00 C ATOM 519 C GLY A 35 9.437 -0.257 12.344 1.00 0.00 C ATOM 520 O GLY A 35 9.999 0.763 11.947 1.00 0.00 O ATOM 0 H GLY A 35 7.731 -2.052 14.173 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.772 0.695 13.327 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.879 -0.111 14.421 1.00 0.00 H new ATOM 524 N ASP A 36 9.687 -1.469 11.845 1.00 0.00 N ATOM 525 CA ASP A 36 10.662 -1.668 10.775 1.00 0.00 C ATOM 526 C ASP A 36 9.971 -2.185 9.519 1.00 0.00 C ATOM 527 O ASP A 36 10.556 -2.179 8.438 1.00 0.00 O ATOM 528 CB ASP A 36 11.738 -2.674 11.194 1.00 0.00 C ATOM 529 CG ASP A 36 12.349 -2.290 12.544 1.00 0.00 C ATOM 530 OD1 ASP A 36 11.601 -2.158 13.498 1.00 0.00 O ATOM 531 OD2 ASP A 36 13.559 -2.144 12.601 1.00 0.00 O ATOM 0 H ASP A 36 9.229 -2.323 12.164 1.00 0.00 H new ATOM 0 HA ASP A 36 11.130 -0.705 10.572 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.304 -3.672 11.258 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.519 -2.714 10.435 1.00 0.00 H new ATOM 536 N GLU A 37 8.723 -2.637 9.671 1.00 0.00 N ATOM 537 CA GLU A 37 7.956 -3.156 8.539 1.00 0.00 C ATOM 538 C GLU A 37 6.485 -2.767 8.672 1.00 0.00 C ATOM 539 O GLU A 37 6.106 -2.049 9.592 1.00 0.00 O ATOM 540 CB GLU A 37 8.083 -4.684 8.451 1.00 0.00 C ATOM 541 CG GLU A 37 9.546 -5.098 8.649 1.00 0.00 C ATOM 542 CD GLU A 37 9.704 -6.597 8.406 1.00 0.00 C ATOM 543 OE1 GLU A 37 9.541 -7.349 9.353 1.00 0.00 O ATOM 544 OE2 GLU A 37 9.982 -6.971 7.279 1.00 0.00 O ATOM 0 H GLU A 37 8.226 -2.654 10.562 1.00 0.00 H new ATOM 0 HA GLU A 37 8.360 -2.718 7.626 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.457 -5.154 9.210 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.725 -5.032 7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.186 -4.541 7.964 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.869 -4.849 9.660 1.00 0.00 H new ATOM 551 N VAL A 38 5.662 -3.243 7.746 1.00 0.00 N ATOM 552 CA VAL A 38 4.237 -2.943 7.757 1.00 0.00 C ATOM 553 C VAL A 38 3.454 -4.154 7.275 1.00 0.00 C ATOM 554 O VAL A 38 3.661 -4.629 6.158 1.00 0.00 O ATOM 555 CB VAL A 38 3.949 -1.744 6.852 1.00 0.00 C ATOM 556 CG1 VAL A 38 2.434 -1.547 6.702 1.00 0.00 C ATOM 557 CG2 VAL A 38 4.575 -0.489 7.470 1.00 0.00 C ATOM 0 H VAL A 38 5.959 -3.841 6.975 1.00 0.00 H new ATOM 0 HA VAL A 38 3.931 -2.700 8.775 1.00 0.00 H new ATOM 0 HB VAL A 38 4.378 -1.923 5.866 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.241 -0.691 6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.993 -2.441 6.262 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.991 -1.369 7.682 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.374 0.370 6.830 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.145 -0.316 8.456 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.652 -0.628 7.563 1.00 0.00 H new ATOM 567 N LYS A 39 2.562 -4.654 8.117 1.00 0.00 N ATOM 568 CA LYS A 39 1.767 -5.811 7.748 1.00 0.00 C ATOM 569 C LYS A 39 0.283 -5.482 7.804 1.00 0.00 C ATOM 570 O LYS A 39 -0.250 -5.144 8.861 1.00 0.00 O ATOM 571 CB LYS A 39 2.085 -6.983 8.677 1.00 0.00 C ATOM 572 CG LYS A 39 2.337 -8.236 7.835 1.00 0.00 C ATOM 573 CD LYS A 39 1.787 -9.482 8.547 1.00 0.00 C ATOM 574 CE LYS A 39 2.243 -9.507 10.012 1.00 0.00 C ATOM 575 NZ LYS A 39 3.599 -8.894 10.137 1.00 0.00 N ATOM 0 H LYS A 39 2.373 -4.282 9.048 1.00 0.00 H new ATOM 0 HA LYS A 39 2.017 -6.092 6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.962 -6.755 9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.257 -7.153 9.365 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.862 -8.128 6.860 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.406 -8.353 7.658 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.698 -9.485 8.499 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.131 -10.382 8.037 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.531 -8.963 10.632 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.264 -10.534 10.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.194 -9.489 10.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.035 -8.820 9.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.514 -7.945 10.554 1.00 0.00 H new ATOM 589 N VAL A 40 -0.378 -5.588 6.654 1.00 0.00 N ATOM 590 CA VAL A 40 -1.802 -5.306 6.573 1.00 0.00 C ATOM 591 C VAL A 40 -2.570 -6.582 6.256 1.00 0.00 C ATOM 592 O VAL A 40 -2.183 -7.349 5.370 1.00 0.00 O ATOM 593 CB VAL A 40 -2.076 -4.255 5.489 1.00 0.00 C ATOM 594 CG1 VAL A 40 -1.795 -4.849 4.105 1.00 0.00 C ATOM 595 CG2 VAL A 40 -3.544 -3.813 5.562 1.00 0.00 C ATOM 0 H VAL A 40 0.050 -5.866 5.771 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.134 -4.917 7.536 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.425 -3.396 5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.991 -4.098 3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.752 -5.161 4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.441 -5.711 3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.738 -3.066 4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.192 -4.675 5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.746 -3.383 6.543 1.00 0.00 H new ATOM 605 N ALA A 41 -3.664 -6.794 6.973 1.00 0.00 N ATOM 606 CA ALA A 41 -4.491 -7.968 6.750 1.00 0.00 C ATOM 607 C ALA A 41 -5.687 -7.573 5.905 1.00 0.00 C ATOM 608 O ALA A 41 -6.616 -6.932 6.394 1.00 0.00 O ATOM 609 CB ALA A 41 -4.963 -8.556 8.084 1.00 0.00 C ATOM 0 H ALA A 41 -3.997 -6.172 7.709 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.906 -8.728 6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.581 -9.434 7.896 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.098 -8.842 8.682 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.547 -7.810 8.624 1.00 0.00 H new ATOM 615 N ILE A 42 -5.652 -7.946 4.634 1.00 0.00 N ATOM 616 CA ILE A 42 -6.735 -7.606 3.728 1.00 0.00 C ATOM 617 C ILE A 42 -7.667 -8.805 3.570 1.00 0.00 C ATOM 618 O ILE A 42 -7.273 -9.946 3.814 1.00 0.00 O ATOM 619 CB ILE A 42 -6.148 -7.168 2.375 1.00 0.00 C ATOM 620 CG1 ILE A 42 -7.234 -6.483 1.535 1.00 0.00 C ATOM 621 CG2 ILE A 42 -5.600 -8.381 1.613 1.00 0.00 C ATOM 622 CD1 ILE A 42 -6.946 -4.984 1.450 1.00 0.00 C ATOM 0 H ILE A 42 -4.892 -8.479 4.211 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.317 -6.778 4.133 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.333 -6.468 2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.262 -6.916 0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -8.214 -6.651 1.982 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.188 -8.055 0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.817 -8.857 2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.405 -9.094 1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.718 -4.498 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.941 -4.557 2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.974 -4.826 0.983 1.00 0.00 H new ATOM 634 N THR A 43 -8.914 -8.529 3.199 1.00 0.00 N ATOM 635 CA THR A 43 -9.916 -9.582 3.049 1.00 0.00 C ATOM 636 C THR A 43 -9.989 -10.094 1.609 1.00 0.00 C ATOM 637 O THR A 43 -11.028 -10.594 1.172 1.00 0.00 O ATOM 638 CB THR A 43 -11.282 -9.043 3.495 1.00 0.00 C ATOM 639 OG1 THR A 43 -12.266 -10.055 3.346 1.00 0.00 O ATOM 640 CG2 THR A 43 -11.666 -7.821 2.653 1.00 0.00 C ATOM 0 H THR A 43 -9.255 -7.589 2.997 1.00 0.00 H new ATOM 0 HA THR A 43 -9.628 -10.426 3.676 1.00 0.00 H new ATOM 0 HB THR A 43 -11.222 -8.747 4.542 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.186 -10.461 2.458 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.637 -7.446 2.977 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.915 -7.041 2.780 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.720 -8.106 1.602 1.00 0.00 H new ATOM 648 N ALA A 44 -8.883 -9.980 0.881 1.00 0.00 N ATOM 649 CA ALA A 44 -8.841 -10.444 -0.504 1.00 0.00 C ATOM 650 C ALA A 44 -8.236 -11.848 -0.592 1.00 0.00 C ATOM 651 O ALA A 44 -7.644 -12.344 0.371 1.00 0.00 O ATOM 652 CB ALA A 44 -8.014 -9.481 -1.361 1.00 0.00 C ATOM 0 H ALA A 44 -8.011 -9.575 1.221 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.864 -10.477 -0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.991 -9.838 -2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.465 -8.489 -1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.997 -9.429 -0.972 1.00 0.00 H new ATOM 658 N PRO A 45 -8.370 -12.483 -1.733 1.00 0.00 N ATOM 659 CA PRO A 45 -7.822 -13.848 -1.987 1.00 0.00 C ATOM 660 C PRO A 45 -6.319 -13.824 -2.261 1.00 0.00 C ATOM 661 O PRO A 45 -5.708 -12.755 -2.310 1.00 0.00 O ATOM 662 CB PRO A 45 -8.595 -14.336 -3.230 1.00 0.00 C ATOM 663 CG PRO A 45 -9.542 -13.243 -3.606 1.00 0.00 C ATOM 664 CD PRO A 45 -9.060 -11.972 -2.917 1.00 0.00 C ATOM 0 HA PRO A 45 -7.945 -14.500 -1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.911 -14.554 -4.050 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.135 -15.257 -3.012 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.565 -13.109 -4.688 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.557 -13.489 -3.293 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.392 -11.395 -3.556 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.890 -11.318 -2.650 1.00 0.00 H new ATOM 672 N PRO A 46 -5.716 -14.975 -2.452 1.00 0.00 N ATOM 673 CA PRO A 46 -4.258 -15.090 -2.739 1.00 0.00 C ATOM 674 C PRO A 46 -3.945 -14.737 -4.195 1.00 0.00 C ATOM 675 O PRO A 46 -2.789 -14.790 -4.623 1.00 0.00 O ATOM 676 CB PRO A 46 -3.927 -16.567 -2.454 1.00 0.00 C ATOM 677 CG PRO A 46 -5.206 -17.225 -2.020 1.00 0.00 C ATOM 678 CD PRO A 46 -6.350 -16.295 -2.412 1.00 0.00 C ATOM 0 HA PRO A 46 -3.668 -14.402 -2.133 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.526 -17.052 -3.344 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.167 -16.649 -1.677 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.320 -18.197 -2.499 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.203 -17.398 -0.944 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.775 -16.566 -3.378 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.162 -16.329 -1.686 1.00 0.00 H new ATOM 686 N VAL A 47 -4.986 -14.379 -4.948 1.00 0.00 N ATOM 687 CA VAL A 47 -4.823 -14.024 -6.358 1.00 0.00 C ATOM 688 C VAL A 47 -4.638 -12.519 -6.516 1.00 0.00 C ATOM 689 O VAL A 47 -4.978 -11.744 -5.621 1.00 0.00 O ATOM 690 CB VAL A 47 -6.043 -14.482 -7.165 1.00 0.00 C ATOM 691 CG1 VAL A 47 -6.163 -16.006 -7.082 1.00 0.00 C ATOM 692 CG2 VAL A 47 -7.311 -13.835 -6.597 1.00 0.00 C ATOM 0 H VAL A 47 -5.946 -14.327 -4.607 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.934 -14.528 -6.735 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.923 -14.182 -8.206 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.030 -16.334 -7.655 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.263 -16.465 -7.491 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.282 -16.305 -6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.176 -14.163 -7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.435 -14.131 -5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.225 -12.750 -6.658 1.00 0.00 H new ATOM 702 N ASP A 48 -4.084 -12.117 -7.654 1.00 0.00 N ATOM 703 CA ASP A 48 -3.843 -10.704 -7.919 1.00 0.00 C ATOM 704 C ASP A 48 -5.102 -10.026 -8.428 1.00 0.00 C ATOM 705 O ASP A 48 -5.466 -8.958 -7.962 1.00 0.00 O ATOM 706 CB ASP A 48 -2.724 -10.540 -8.955 1.00 0.00 C ATOM 707 CG ASP A 48 -1.541 -11.456 -8.630 1.00 0.00 C ATOM 708 OD1 ASP A 48 -1.531 -12.037 -7.555 1.00 0.00 O ATOM 709 OD2 ASP A 48 -0.658 -11.561 -9.464 1.00 0.00 O ATOM 0 H ASP A 48 -3.795 -12.745 -8.404 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.543 -10.234 -6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.106 -10.772 -9.949 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.391 -9.502 -8.975 1.00 0.00 H new ATOM 714 N GLY A 49 -5.765 -10.647 -9.392 1.00 0.00 N ATOM 715 CA GLY A 49 -6.984 -10.075 -9.953 1.00 0.00 C ATOM 716 C GLY A 49 -7.887 -9.517 -8.857 1.00 0.00 C ATOM 717 O GLY A 49 -8.396 -8.399 -8.969 1.00 0.00 O ATOM 0 H GLY A 49 -5.485 -11.539 -9.800 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.727 -9.282 -10.655 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.521 -10.838 -10.517 1.00 0.00 H new ATOM 721 N GLN A 50 -8.083 -10.304 -7.802 1.00 0.00 N ATOM 722 CA GLN A 50 -8.936 -9.886 -6.695 1.00 0.00 C ATOM 723 C GLN A 50 -8.189 -8.963 -5.728 1.00 0.00 C ATOM 724 O GLN A 50 -8.689 -7.895 -5.382 1.00 0.00 O ATOM 725 CB GLN A 50 -9.469 -11.114 -5.955 1.00 0.00 C ATOM 726 CG GLN A 50 -10.656 -11.708 -6.727 1.00 0.00 C ATOM 727 CD GLN A 50 -10.174 -12.455 -7.970 1.00 0.00 C ATOM 728 OE1 GLN A 50 -9.771 -11.837 -8.954 1.00 0.00 O ATOM 729 NE2 GLN A 50 -10.198 -13.760 -7.988 1.00 0.00 N ATOM 0 H GLN A 50 -7.666 -11.228 -7.691 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.774 -9.323 -7.107 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.680 -11.859 -5.852 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.780 -10.837 -4.948 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.212 -12.388 -6.081 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.341 -10.912 -7.018 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.532 -14.275 -7.173 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.883 -14.264 -8.817 1.00 0.00 H new ATOM 738 N ALA A 51 -6.994 -9.369 -5.297 1.00 0.00 N ATOM 739 CA ALA A 51 -6.206 -8.542 -4.376 1.00 0.00 C ATOM 740 C ALA A 51 -5.892 -7.193 -5.021 1.00 0.00 C ATOM 741 O ALA A 51 -6.231 -6.141 -4.480 1.00 0.00 O ATOM 742 CB ALA A 51 -4.902 -9.252 -4.007 1.00 0.00 C ATOM 0 H ALA A 51 -6.554 -10.250 -5.564 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.790 -8.380 -3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.328 -8.627 -3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.129 -10.203 -3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.318 -9.433 -4.910 1.00 0.00 H new ATOM 748 N ASN A 52 -5.259 -7.242 -6.189 1.00 0.00 N ATOM 749 CA ASN A 52 -4.911 -6.033 -6.931 1.00 0.00 C ATOM 750 C ASN A 52 -6.104 -5.083 -6.974 1.00 0.00 C ATOM 751 O ASN A 52 -5.959 -3.887 -6.716 1.00 0.00 O ATOM 752 CB ASN A 52 -4.483 -6.403 -8.357 1.00 0.00 C ATOM 753 CG ASN A 52 -3.883 -5.195 -9.074 1.00 0.00 C ATOM 754 OD1 ASN A 52 -4.511 -4.138 -9.156 1.00 0.00 O ATOM 755 ND2 ASN A 52 -2.698 -5.296 -9.612 1.00 0.00 N ATOM 0 H ASN A 52 -4.975 -8.109 -6.644 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.082 -5.534 -6.428 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.753 -7.212 -8.324 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -5.343 -6.773 -8.915 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.290 -4.499 -10.101 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.180 -6.172 -9.543 1.00 0.00 H new ATOM 762 N SER A 53 -7.289 -5.623 -7.287 1.00 0.00 N ATOM 763 CA SER A 53 -8.495 -4.799 -7.337 1.00 0.00 C ATOM 764 C SER A 53 -8.610 -3.978 -6.055 1.00 0.00 C ATOM 765 O SER A 53 -8.826 -2.767 -6.105 1.00 0.00 O ATOM 766 CB SER A 53 -9.743 -5.676 -7.507 1.00 0.00 C ATOM 767 OG SER A 53 -10.267 -6.017 -6.231 1.00 0.00 O ATOM 0 H SER A 53 -7.434 -6.609 -7.505 1.00 0.00 H new ATOM 0 HA SER A 53 -8.424 -4.129 -8.193 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.496 -5.145 -8.090 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.491 -6.580 -8.061 1.00 0.00 H new ATOM 0 HG SER A 53 -9.888 -6.872 -5.939 1.00 0.00 H new ATOM 773 N HIS A 54 -8.442 -4.641 -4.907 1.00 0.00 N ATOM 774 CA HIS A 54 -8.512 -3.950 -3.625 1.00 0.00 C ATOM 775 C HIS A 54 -7.400 -2.931 -3.545 1.00 0.00 C ATOM 776 O HIS A 54 -7.610 -1.804 -3.115 1.00 0.00 O ATOM 777 CB HIS A 54 -8.372 -4.943 -2.456 1.00 0.00 C ATOM 778 CG HIS A 54 -6.983 -4.902 -1.862 1.00 0.00 C ATOM 779 ND1 HIS A 54 -6.432 -3.743 -1.333 1.00 0.00 N ATOM 780 CD2 HIS A 54 -6.025 -5.873 -1.710 1.00 0.00 C ATOM 781 CE1 HIS A 54 -5.198 -4.043 -0.895 1.00 0.00 C ATOM 782 NE2 HIS A 54 -4.900 -5.329 -1.100 1.00 0.00 N ATOM 0 H HIS A 54 -8.259 -5.642 -4.843 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.482 -3.458 -3.550 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.106 -4.707 -1.686 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -8.590 -5.952 -2.805 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -6.129 -6.903 -2.017 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -4.529 -3.332 -0.434 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -4.033 -5.809 -0.860 1.00 0.00 H new ATOM 790 N LEU A 55 -6.206 -3.356 -3.934 1.00 0.00 N ATOM 791 CA LEU A 55 -5.049 -2.488 -3.877 1.00 0.00 C ATOM 792 C LEU A 55 -5.364 -1.145 -4.520 1.00 0.00 C ATOM 793 O LEU A 55 -5.314 -0.102 -3.864 1.00 0.00 O ATOM 794 CB LEU A 55 -3.863 -3.146 -4.594 1.00 0.00 C ATOM 795 CG LEU A 55 -2.545 -2.776 -3.898 1.00 0.00 C ATOM 796 CD1 LEU A 55 -2.517 -1.276 -3.581 1.00 0.00 C ATOM 797 CD2 LEU A 55 -2.416 -3.584 -2.602 1.00 0.00 C ATOM 0 H LEU A 55 -6.018 -4.293 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.787 -2.324 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.988 -4.229 -4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.835 -2.824 -5.635 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.710 -3.008 -4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.578 -1.026 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.604 -0.707 -4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.350 -1.028 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.482 -3.325 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.254 -3.353 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.420 -4.649 -2.835 1.00 0.00 H new ATOM 809 N VAL A 56 -5.703 -1.185 -5.806 1.00 0.00 N ATOM 810 CA VAL A 56 -6.043 0.025 -6.542 1.00 0.00 C ATOM 811 C VAL A 56 -7.145 0.788 -5.804 1.00 0.00 C ATOM 812 O VAL A 56 -7.261 2.006 -5.929 1.00 0.00 O ATOM 813 CB VAL A 56 -6.494 -0.348 -7.969 1.00 0.00 C ATOM 814 CG1 VAL A 56 -8.023 -0.323 -8.080 1.00 0.00 C ATOM 815 CG2 VAL A 56 -5.899 0.645 -8.973 1.00 0.00 C ATOM 0 H VAL A 56 -5.749 -2.042 -6.357 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.167 0.670 -6.612 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.142 -1.356 -8.189 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.319 -0.589 -9.095 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.451 -1.039 -7.378 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.388 0.677 -7.846 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.219 0.379 -9.981 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.243 1.652 -8.736 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.811 0.611 -8.917 1.00 0.00 H new ATOM 825 N LYS A 57 -7.947 0.048 -5.035 1.00 0.00 N ATOM 826 CA LYS A 57 -9.044 0.647 -4.278 1.00 0.00 C ATOM 827 C LYS A 57 -8.541 1.249 -2.964 1.00 0.00 C ATOM 828 O LYS A 57 -8.473 2.468 -2.833 1.00 0.00 O ATOM 829 CB LYS A 57 -10.117 -0.411 -3.996 1.00 0.00 C ATOM 830 CG LYS A 57 -11.498 0.155 -4.337 1.00 0.00 C ATOM 831 CD LYS A 57 -12.578 -0.875 -3.992 1.00 0.00 C ATOM 832 CE LYS A 57 -13.952 -0.323 -4.379 1.00 0.00 C ATOM 833 NZ LYS A 57 -15.009 -1.301 -3.992 1.00 0.00 N ATOM 0 H LYS A 57 -7.857 -0.962 -4.921 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.476 1.451 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.924 -1.306 -4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.083 -0.708 -2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.671 1.077 -3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.547 0.407 -5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.387 -1.809 -4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.552 -1.102 -2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.125 0.631 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.991 -0.135 -5.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.942 -0.926 -4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.846 -2.202 -4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.976 -1.459 -2.965 1.00 0.00 H new ATOM 847 N PHE A 58 -8.192 0.389 -2.001 1.00 0.00 N ATOM 848 CA PHE A 58 -7.696 0.841 -0.697 1.00 0.00 C ATOM 849 C PHE A 58 -6.879 2.127 -0.829 1.00 0.00 C ATOM 850 O PHE A 58 -7.271 3.171 -0.306 1.00 0.00 O ATOM 851 CB PHE A 58 -6.830 -0.260 -0.068 1.00 0.00 C ATOM 852 CG PHE A 58 -7.106 -0.357 1.416 1.00 0.00 C ATOM 853 CD1 PHE A 58 -8.399 -0.642 1.868 1.00 0.00 C ATOM 854 CD2 PHE A 58 -6.067 -0.173 2.339 1.00 0.00 C ATOM 855 CE1 PHE A 58 -8.656 -0.739 3.240 1.00 0.00 C ATOM 856 CE2 PHE A 58 -6.326 -0.272 3.712 1.00 0.00 C ATOM 857 CZ PHE A 58 -7.620 -0.556 4.162 1.00 0.00 C ATOM 0 H PHE A 58 -8.244 -0.625 -2.101 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.554 1.049 -0.058 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.039 -1.216 -0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.775 -0.044 -0.236 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.199 -0.787 1.157 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.068 0.045 1.992 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -9.655 -0.955 3.588 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.526 -0.129 4.424 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.819 -0.634 5.221 1.00 0.00 H new ATOM 867 N LEU A 59 -5.751 2.051 -1.531 1.00 0.00 N ATOM 868 CA LEU A 59 -4.906 3.227 -1.720 1.00 0.00 C ATOM 869 C LEU A 59 -5.647 4.275 -2.545 1.00 0.00 C ATOM 870 O LEU A 59 -5.534 5.470 -2.289 1.00 0.00 O ATOM 871 CB LEU A 59 -3.603 2.851 -2.437 1.00 0.00 C ATOM 872 CG LEU A 59 -2.584 2.267 -1.447 1.00 0.00 C ATOM 873 CD1 LEU A 59 -2.028 3.377 -0.552 1.00 0.00 C ATOM 874 CD2 LEU A 59 -3.249 1.194 -0.578 1.00 0.00 C ATOM 0 H LEU A 59 -5.404 1.200 -1.973 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.666 3.633 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.811 2.124 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.182 3.732 -2.922 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.768 1.816 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.306 2.954 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.537 4.130 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.844 3.839 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.518 0.787 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.075 1.637 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.628 0.394 -1.214 1.00 0.00 H new ATOM 886 N GLY A 60 -6.409 3.818 -3.536 1.00 0.00 N ATOM 887 CA GLY A 60 -7.164 4.732 -4.384 1.00 0.00 C ATOM 888 C GLY A 60 -8.066 5.635 -3.548 1.00 0.00 C ATOM 889 O GLY A 60 -8.172 6.829 -3.818 1.00 0.00 O ATOM 0 H GLY A 60 -6.519 2.831 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.476 5.341 -4.970 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.768 4.163 -5.091 1.00 0.00 H new ATOM 893 N LYS A 61 -8.708 5.059 -2.532 1.00 0.00 N ATOM 894 CA LYS A 61 -9.591 5.837 -1.660 1.00 0.00 C ATOM 895 C LYS A 61 -8.774 6.583 -0.614 1.00 0.00 C ATOM 896 O LYS A 61 -8.919 7.792 -0.439 1.00 0.00 O ATOM 897 CB LYS A 61 -10.605 4.935 -0.935 1.00 0.00 C ATOM 898 CG LYS A 61 -10.679 3.564 -1.605 1.00 0.00 C ATOM 899 CD LYS A 61 -12.025 2.903 -1.292 1.00 0.00 C ATOM 900 CE LYS A 61 -13.148 3.629 -2.040 1.00 0.00 C ATOM 901 NZ LYS A 61 -13.816 4.592 -1.121 1.00 0.00 N ATOM 0 H LYS A 61 -8.636 4.070 -2.293 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.131 6.542 -2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.316 4.820 0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.589 5.404 -0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.558 3.669 -2.683 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.863 2.933 -1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.001 1.853 -1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.213 2.931 -0.219 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.743 4.156 -2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.873 2.908 -2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.806 4.307 -0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.322 4.598 -0.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.787 5.545 -1.536 1.00 0.00 H new ATOM 915 N GLN A 62 -7.929 5.837 0.089 1.00 0.00 N ATOM 916 CA GLN A 62 -7.100 6.406 1.141 1.00 0.00 C ATOM 917 C GLN A 62 -6.244 7.558 0.624 1.00 0.00 C ATOM 918 O GLN A 62 -6.209 8.633 1.227 1.00 0.00 O ATOM 919 CB GLN A 62 -6.193 5.321 1.729 1.00 0.00 C ATOM 920 CG GLN A 62 -6.999 4.429 2.682 1.00 0.00 C ATOM 921 CD GLN A 62 -7.444 5.227 3.906 1.00 0.00 C ATOM 922 OE1 GLN A 62 -8.614 5.184 4.284 1.00 0.00 O ATOM 923 NE2 GLN A 62 -6.575 5.957 4.551 1.00 0.00 N ATOM 0 H GLN A 62 -7.801 4.835 -0.052 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.764 6.798 1.912 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.765 4.719 0.928 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.361 5.780 2.263 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.870 4.027 2.165 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.393 3.578 2.995 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.605 5.992 4.237 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.866 6.492 5.369 1.00 0.00 H new ATOM 932 N PHE A 63 -5.546 7.331 -0.487 1.00 0.00 N ATOM 933 CA PHE A 63 -4.685 8.361 -1.059 1.00 0.00 C ATOM 934 C PHE A 63 -5.460 9.272 -2.003 1.00 0.00 C ATOM 935 O PHE A 63 -5.025 10.386 -2.298 1.00 0.00 O ATOM 936 CB PHE A 63 -3.509 7.712 -1.799 1.00 0.00 C ATOM 937 CG PHE A 63 -2.288 7.784 -0.919 1.00 0.00 C ATOM 938 CD1 PHE A 63 -2.027 6.759 -0.003 1.00 0.00 C ATOM 939 CD2 PHE A 63 -1.428 8.882 -1.009 1.00 0.00 C ATOM 940 CE1 PHE A 63 -0.901 6.834 0.825 1.00 0.00 C ATOM 941 CE2 PHE A 63 -0.303 8.960 -0.181 1.00 0.00 C ATOM 942 CZ PHE A 63 -0.039 7.936 0.737 1.00 0.00 C ATOM 0 H PHE A 63 -5.560 6.452 -1.004 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.303 8.972 -0.242 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.740 6.675 -2.041 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.326 8.226 -2.743 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.693 5.912 0.065 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.632 9.671 -1.718 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.696 6.043 1.531 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.361 9.809 -0.250 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.829 7.995 1.377 1.00 0.00 H new ATOM 952 N ARG A 64 -6.615 8.800 -2.465 1.00 0.00 N ATOM 953 CA ARG A 64 -7.452 9.581 -3.369 1.00 0.00 C ATOM 954 C ARG A 64 -6.714 9.923 -4.665 1.00 0.00 C ATOM 955 O ARG A 64 -7.251 10.637 -5.514 1.00 0.00 O ATOM 956 CB ARG A 64 -7.903 10.870 -2.682 1.00 0.00 C ATOM 957 CG ARG A 64 -9.298 10.671 -2.081 1.00 0.00 C ATOM 958 CD ARG A 64 -9.751 11.962 -1.398 1.00 0.00 C ATOM 959 NE ARG A 64 -11.127 11.830 -0.932 1.00 0.00 N ATOM 960 CZ ARG A 64 -12.071 12.686 -1.312 1.00 0.00 C ATOM 961 NH1 ARG A 64 -11.795 13.955 -1.426 1.00 0.00 N ATOM 962 NH2 ARG A 64 -13.275 12.255 -1.578 1.00 0.00 N ATOM 0 H ARG A 64 -6.991 7.882 -2.228 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.321 8.974 -3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.195 11.144 -1.900 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.919 11.690 -3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.005 10.393 -2.862 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.281 9.853 -1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.095 12.187 -0.557 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.674 12.797 -2.095 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.370 11.066 -0.302 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.854 14.292 -1.224 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.520 14.610 -1.718 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.491 11.262 -1.494 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.999 12.912 -1.869 1.00 0.00 H new ATOM 976 N VAL A 65 -5.493 9.412 -4.826 1.00 0.00 N ATOM 977 CA VAL A 65 -4.729 9.686 -6.042 1.00 0.00 C ATOM 978 C VAL A 65 -5.270 8.839 -7.188 1.00 0.00 C ATOM 979 O VAL A 65 -5.829 7.763 -6.968 1.00 0.00 O ATOM 980 CB VAL A 65 -3.231 9.397 -5.835 1.00 0.00 C ATOM 981 CG1 VAL A 65 -2.678 10.284 -4.719 1.00 0.00 C ATOM 982 CG2 VAL A 65 -3.019 7.922 -5.473 1.00 0.00 C ATOM 0 H VAL A 65 -5.020 8.818 -4.145 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.837 10.743 -6.285 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.703 9.614 -6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.618 10.074 -4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.807 11.332 -4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.214 10.080 -3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.955 7.732 -5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.556 7.692 -4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.395 7.292 -6.279 1.00 0.00 H new ATOM 992 N ALA A 66 -5.111 9.342 -8.408 1.00 0.00 N ATOM 993 CA ALA A 66 -5.599 8.645 -9.593 1.00 0.00 C ATOM 994 C ALA A 66 -5.175 7.178 -9.595 1.00 0.00 C ATOM 995 O ALA A 66 -4.212 6.797 -8.929 1.00 0.00 O ATOM 996 CB ALA A 66 -5.068 9.339 -10.844 1.00 0.00 C ATOM 0 H ALA A 66 -4.648 10.230 -8.602 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.688 8.677 -9.583 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.432 8.819 -11.730 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.414 10.372 -10.861 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.978 9.322 -10.835 1.00 0.00 H new ATOM 1002 N LYS A 67 -5.901 6.362 -10.358 1.00 0.00 N ATOM 1003 CA LYS A 67 -5.596 4.938 -10.452 1.00 0.00 C ATOM 1004 C LYS A 67 -4.306 4.742 -11.229 1.00 0.00 C ATOM 1005 O LYS A 67 -3.559 3.789 -11.000 1.00 0.00 O ATOM 1006 CB LYS A 67 -6.744 4.191 -11.149 1.00 0.00 C ATOM 1007 CG LYS A 67 -7.044 4.841 -12.508 1.00 0.00 C ATOM 1008 CD LYS A 67 -6.498 3.965 -13.640 1.00 0.00 C ATOM 1009 CE LYS A 67 -7.470 2.812 -13.911 1.00 0.00 C ATOM 1010 NZ LYS A 67 -8.683 3.336 -14.603 1.00 0.00 N ATOM 0 H LYS A 67 -6.700 6.662 -10.917 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.477 4.535 -9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.476 3.144 -11.289 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.636 4.211 -10.522 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.119 4.975 -12.627 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.593 5.832 -12.554 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.364 4.561 -14.543 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.518 3.572 -13.369 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.987 2.052 -14.526 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.752 2.332 -12.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.146 2.564 -15.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.344 3.724 -13.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.406 4.086 -15.268 1.00 0.00 H new ATOM 1024 N SER A 68 -4.052 5.671 -12.141 1.00 0.00 N ATOM 1025 CA SER A 68 -2.850 5.634 -12.960 1.00 0.00 C ATOM 1026 C SER A 68 -1.656 6.116 -12.139 1.00 0.00 C ATOM 1027 O SER A 68 -0.501 5.931 -12.528 1.00 0.00 O ATOM 1028 CB SER A 68 -3.051 6.526 -14.185 1.00 0.00 C ATOM 1029 OG SER A 68 -1.828 7.168 -14.524 1.00 0.00 O ATOM 0 H SER A 68 -4.666 6.463 -12.332 1.00 0.00 H new ATOM 0 HA SER A 68 -2.656 4.613 -13.290 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.403 5.929 -15.026 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.819 7.272 -13.980 1.00 0.00 H new ATOM 0 HG SER A 68 -1.626 7.859 -13.859 1.00 0.00 H new ATOM 1035 N GLN A 69 -1.951 6.731 -10.995 1.00 0.00 N ATOM 1036 CA GLN A 69 -0.912 7.240 -10.107 1.00 0.00 C ATOM 1037 C GLN A 69 -0.502 6.164 -9.100 1.00 0.00 C ATOM 1038 O GLN A 69 0.447 6.346 -8.340 1.00 0.00 O ATOM 1039 CB GLN A 69 -1.433 8.478 -9.363 1.00 0.00 C ATOM 1040 CG GLN A 69 -1.072 9.759 -10.132 1.00 0.00 C ATOM 1041 CD GLN A 69 -1.548 9.675 -11.582 1.00 0.00 C ATOM 1042 OE1 GLN A 69 -1.030 8.879 -12.365 1.00 0.00 O ATOM 1043 NE2 GLN A 69 -2.502 10.465 -11.994 1.00 0.00 N ATOM 0 H GLN A 69 -2.902 6.888 -10.663 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.040 7.514 -10.701 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.514 8.410 -9.245 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.004 8.515 -8.361 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.527 10.621 -9.645 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.007 9.911 -10.107 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.933 11.125 -11.347 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.817 10.422 -12.963 1.00 0.00 H new ATOM 1052 N VAL A 70 -1.224 5.041 -9.115 1.00 0.00 N ATOM 1053 CA VAL A 70 -0.937 3.924 -8.218 1.00 0.00 C ATOM 1054 C VAL A 70 -0.283 2.793 -9.004 1.00 0.00 C ATOM 1055 O VAL A 70 -0.969 2.005 -9.660 1.00 0.00 O ATOM 1056 CB VAL A 70 -2.237 3.424 -7.570 1.00 0.00 C ATOM 1057 CG1 VAL A 70 -1.933 2.265 -6.616 1.00 0.00 C ATOM 1058 CG2 VAL A 70 -2.891 4.563 -6.783 1.00 0.00 C ATOM 0 H VAL A 70 -2.013 4.883 -9.741 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.257 4.259 -7.434 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.913 3.082 -8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.860 1.916 -6.160 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.472 1.448 -7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.251 2.605 -5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.813 4.206 -6.324 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.209 4.907 -6.006 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.118 5.388 -7.458 1.00 0.00 H new ATOM 1068 N VAL A 71 1.043 2.730 -8.955 1.00 0.00 N ATOM 1069 CA VAL A 71 1.774 1.699 -9.693 1.00 0.00 C ATOM 1070 C VAL A 71 2.489 0.729 -8.755 1.00 0.00 C ATOM 1071 O VAL A 71 3.298 1.131 -7.916 1.00 0.00 O ATOM 1072 CB VAL A 71 2.796 2.351 -10.627 1.00 0.00 C ATOM 1073 CG1 VAL A 71 3.280 1.320 -11.652 1.00 0.00 C ATOM 1074 CG2 VAL A 71 2.143 3.530 -11.356 1.00 0.00 C ATOM 0 H VAL A 71 1.630 3.370 -8.420 1.00 0.00 H new ATOM 0 HA VAL A 71 1.046 1.133 -10.274 1.00 0.00 H new ATOM 0 HB VAL A 71 3.644 2.710 -10.044 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.008 1.783 -12.318 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.745 0.482 -11.133 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.432 0.961 -12.235 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.871 3.995 -12.021 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.295 3.172 -11.939 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.798 4.263 -10.627 1.00 0.00 H new ATOM 1084 N ILE A 72 2.190 -0.554 -8.931 1.00 0.00 N ATOM 1085 CA ILE A 72 2.799 -1.616 -8.137 1.00 0.00 C ATOM 1086 C ILE A 72 4.108 -2.047 -8.786 1.00 0.00 C ATOM 1087 O ILE A 72 4.127 -2.895 -9.676 1.00 0.00 O ATOM 1088 CB ILE A 72 1.835 -2.800 -8.048 1.00 0.00 C ATOM 1089 CG1 ILE A 72 0.498 -2.307 -7.480 1.00 0.00 C ATOM 1090 CG2 ILE A 72 2.417 -3.881 -7.129 1.00 0.00 C ATOM 1091 CD1 ILE A 72 -0.571 -3.390 -7.654 1.00 0.00 C ATOM 0 H ILE A 72 1.521 -0.886 -9.626 1.00 0.00 H new ATOM 0 HA ILE A 72 3.007 -1.253 -7.131 1.00 0.00 H new ATOM 0 HB ILE A 72 1.684 -3.225 -9.040 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.610 -2.060 -6.424 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.190 -1.394 -7.990 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.724 -4.721 -7.071 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.371 -4.224 -7.530 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.570 -3.467 -6.132 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.518 -3.034 -7.249 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.691 -3.616 -8.714 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.265 -4.292 -7.124 1.00 0.00 H new ATOM 1103 N GLU A 73 5.197 -1.441 -8.343 1.00 0.00 N ATOM 1104 CA GLU A 73 6.512 -1.750 -8.889 1.00 0.00 C ATOM 1105 C GLU A 73 7.040 -3.071 -8.328 1.00 0.00 C ATOM 1106 O GLU A 73 8.126 -3.517 -8.700 1.00 0.00 O ATOM 1107 CB GLU A 73 7.490 -0.612 -8.570 1.00 0.00 C ATOM 1108 CG GLU A 73 7.458 0.424 -9.700 1.00 0.00 C ATOM 1109 CD GLU A 73 8.396 0.010 -10.837 1.00 0.00 C ATOM 1110 OE1 GLU A 73 8.449 -1.171 -11.141 1.00 0.00 O ATOM 1111 OE2 GLU A 73 9.043 0.883 -11.390 1.00 0.00 O ATOM 0 H GLU A 73 5.199 -0.733 -7.608 1.00 0.00 H new ATOM 0 HA GLU A 73 6.421 -1.853 -9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.221 -0.142 -7.624 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.499 -1.008 -8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.441 0.526 -10.079 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.753 1.400 -9.315 1.00 0.00 H new ATOM 1118 N LYS A 74 6.262 -3.692 -7.435 1.00 0.00 N ATOM 1119 CA LYS A 74 6.656 -4.961 -6.825 1.00 0.00 C ATOM 1120 C LYS A 74 5.586 -5.422 -5.847 1.00 0.00 C ATOM 1121 O LYS A 74 5.293 -4.736 -4.869 1.00 0.00 O ATOM 1122 CB LYS A 74 7.986 -4.806 -6.079 1.00 0.00 C ATOM 1123 CG LYS A 74 8.796 -6.097 -6.204 1.00 0.00 C ATOM 1124 CD LYS A 74 10.158 -5.916 -5.529 1.00 0.00 C ATOM 1125 CE LYS A 74 11.029 -7.144 -5.793 1.00 0.00 C ATOM 1126 NZ LYS A 74 12.411 -6.886 -5.301 1.00 0.00 N ATOM 0 H LYS A 74 5.359 -3.336 -7.121 1.00 0.00 H new ATOM 0 HA LYS A 74 6.773 -5.701 -7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.550 -3.969 -6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.802 -4.580 -5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.256 -6.923 -5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.931 -6.353 -7.255 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.648 -5.021 -5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.027 -5.774 -4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.609 -8.016 -5.291 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.047 -7.368 -6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.005 -7.721 -5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.809 -6.065 -5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.385 -6.692 -4.280 1.00 0.00 H new ATOM 1140 N GLY A 75 5.005 -6.586 -6.113 1.00 0.00 N ATOM 1141 CA GLY A 75 3.967 -7.125 -5.248 1.00 0.00 C ATOM 1142 C GLY A 75 2.952 -7.903 -6.062 1.00 0.00 C ATOM 1143 O GLY A 75 2.224 -8.734 -5.520 1.00 0.00 O ATOM 0 H GLY A 75 5.235 -7.171 -6.917 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.413 -7.774 -4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.471 -6.314 -4.716 1.00 0.00 H new ATOM 1147 N GLU A 76 2.925 -7.615 -7.369 1.00 0.00 N ATOM 1148 CA GLU A 76 2.008 -8.276 -8.309 1.00 0.00 C ATOM 1149 C GLU A 76 1.306 -9.474 -7.677 1.00 0.00 C ATOM 1150 O GLU A 76 0.090 -9.457 -7.483 1.00 0.00 O ATOM 1151 CB GLU A 76 2.784 -8.764 -9.537 1.00 0.00 C ATOM 1152 CG GLU A 76 3.008 -7.605 -10.513 1.00 0.00 C ATOM 1153 CD GLU A 76 3.881 -6.530 -9.871 1.00 0.00 C ATOM 1154 OE1 GLU A 76 4.927 -6.872 -9.340 1.00 0.00 O ATOM 1155 OE2 GLU A 76 3.490 -5.376 -9.920 1.00 0.00 O ATOM 0 H GLU A 76 3.534 -6.922 -7.804 1.00 0.00 H new ATOM 0 HA GLU A 76 1.255 -7.541 -8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.743 -9.181 -9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.233 -9.564 -10.031 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.483 -7.973 -11.422 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.049 -7.177 -10.806 1.00 0.00 H new ATOM 1162 N LEU A 77 2.085 -10.507 -7.363 1.00 0.00 N ATOM 1163 CA LEU A 77 1.531 -11.717 -6.759 1.00 0.00 C ATOM 1164 C LEU A 77 2.126 -11.971 -5.376 1.00 0.00 C ATOM 1165 O LEU A 77 1.403 -12.332 -4.445 1.00 0.00 O ATOM 1166 CB LEU A 77 1.795 -12.931 -7.660 1.00 0.00 C ATOM 1167 CG LEU A 77 1.010 -14.142 -7.134 1.00 0.00 C ATOM 1168 CD1 LEU A 77 0.390 -14.912 -8.306 1.00 0.00 C ATOM 1169 CD2 LEU A 77 1.952 -15.070 -6.362 1.00 0.00 C ATOM 0 H LEU A 77 3.093 -10.531 -7.515 1.00 0.00 H new ATOM 0 HA LEU A 77 0.456 -11.569 -6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.497 -12.708 -8.684 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.861 -13.157 -7.680 1.00 0.00 H new ATOM 0 HG LEU A 77 0.218 -13.791 -6.473 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.165 -15.769 -7.925 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.286 -14.257 -8.855 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.180 -15.258 -8.972 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.393 -15.928 -5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.747 -15.414 -7.024 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.388 -14.529 -5.522 1.00 0.00 H new ATOM 1181 N GLY A 78 3.439 -11.790 -5.249 1.00 0.00 N ATOM 1182 CA GLY A 78 4.115 -12.009 -3.971 1.00 0.00 C ATOM 1183 C GLY A 78 3.417 -11.255 -2.842 1.00 0.00 C ATOM 1184 O GLY A 78 2.703 -10.281 -3.087 1.00 0.00 O ATOM 0 H GLY A 78 4.052 -11.495 -6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.133 -13.075 -3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.152 -11.681 -4.044 1.00 0.00 H new ATOM 1188 N ARG A 79 3.624 -11.710 -1.605 1.00 0.00 N ATOM 1189 CA ARG A 79 2.999 -11.058 -0.457 1.00 0.00 C ATOM 1190 C ARG A 79 3.588 -9.674 -0.245 1.00 0.00 C ATOM 1191 O ARG A 79 2.993 -8.841 0.431 1.00 0.00 O ATOM 1192 CB ARG A 79 3.182 -11.898 0.805 1.00 0.00 C ATOM 1193 CG ARG A 79 2.206 -13.077 0.765 1.00 0.00 C ATOM 1194 CD ARG A 79 2.685 -14.175 1.715 1.00 0.00 C ATOM 1195 NE ARG A 79 1.900 -15.394 1.527 1.00 0.00 N ATOM 1196 CZ ARG A 79 0.608 -15.440 1.842 1.00 0.00 C ATOM 1197 NH1 ARG A 79 -0.285 -14.978 1.009 1.00 0.00 N ATOM 1198 NH2 ARG A 79 0.230 -15.951 2.983 1.00 0.00 N ATOM 0 H ARG A 79 4.209 -12.513 -1.376 1.00 0.00 H new ATOM 0 HA ARG A 79 1.933 -10.961 -0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.208 -12.261 0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.002 -11.290 1.691 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.208 -12.745 1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.133 -13.467 -0.250 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.740 -14.384 1.536 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.598 -13.835 2.747 1.00 0.00 H new ATOM 0 HE ARG A 79 2.352 -16.226 1.147 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.008 -14.581 0.116 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.275 -15.014 1.251 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.926 -16.315 3.634 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.761 -15.986 3.223 1.00 0.00 H new ATOM 1212 N HIS A 80 4.738 -9.418 -0.856 1.00 0.00 N ATOM 1213 CA HIS A 80 5.357 -8.111 -0.747 1.00 0.00 C ATOM 1214 C HIS A 80 4.495 -7.118 -1.511 1.00 0.00 C ATOM 1215 O HIS A 80 3.742 -7.510 -2.402 1.00 0.00 O ATOM 1216 CB HIS A 80 6.773 -8.144 -1.330 1.00 0.00 C ATOM 1217 CG HIS A 80 7.457 -6.830 -1.069 1.00 0.00 C ATOM 1218 ND1 HIS A 80 8.429 -6.680 -0.092 1.00 0.00 N ATOM 1219 CD2 HIS A 80 7.312 -5.596 -1.648 1.00 0.00 C ATOM 1220 CE1 HIS A 80 8.828 -5.394 -0.114 1.00 0.00 C ATOM 1221 NE2 HIS A 80 8.178 -4.689 -1.044 1.00 0.00 N ATOM 0 H HIS A 80 5.252 -10.091 -1.424 1.00 0.00 H new ATOM 0 HA HIS A 80 5.433 -7.816 0.300 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.343 -8.958 -0.881 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.731 -8.337 -2.402 1.00 0.00 H new ATOM 0 HD2 HIS A 80 6.629 -5.363 -2.451 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.582 -4.983 0.541 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.292 -3.700 -1.264 1.00 0.00 H new ATOM 1229 N LYS A 81 4.578 -5.846 -1.158 1.00 0.00 N ATOM 1230 CA LYS A 81 3.767 -4.848 -1.832 1.00 0.00 C ATOM 1231 C LYS A 81 4.501 -3.519 -1.866 1.00 0.00 C ATOM 1232 O LYS A 81 4.916 -3.008 -0.830 1.00 0.00 O ATOM 1233 CB LYS A 81 2.417 -4.731 -1.104 1.00 0.00 C ATOM 1234 CG LYS A 81 1.819 -3.328 -1.246 1.00 0.00 C ATOM 1235 CD LYS A 81 0.467 -3.303 -0.526 1.00 0.00 C ATOM 1236 CE LYS A 81 -0.185 -1.930 -0.673 1.00 0.00 C ATOM 1237 NZ LYS A 81 -1.320 -1.825 0.287 1.00 0.00 N ATOM 0 H LYS A 81 5.186 -5.485 -0.423 1.00 0.00 H new ATOM 0 HA LYS A 81 3.582 -5.146 -2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.721 -5.466 -1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.551 -4.965 -0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.491 -2.584 -0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.693 -3.074 -2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.187 -4.070 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.605 -3.537 0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.545 -1.144 -0.480 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.541 -1.790 -1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.203 -1.659 -0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.399 -2.709 0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.151 -1.033 0.940 1.00 0.00 H new ATOM 1251 N GLN A 82 4.654 -2.971 -3.066 1.00 0.00 N ATOM 1252 CA GLN A 82 5.338 -1.704 -3.236 1.00 0.00 C ATOM 1253 C GLN A 82 4.486 -0.812 -4.114 1.00 0.00 C ATOM 1254 O GLN A 82 4.397 -1.018 -5.325 1.00 0.00 O ATOM 1255 CB GLN A 82 6.711 -1.930 -3.871 1.00 0.00 C ATOM 1256 CG GLN A 82 7.571 -0.678 -3.688 1.00 0.00 C ATOM 1257 CD GLN A 82 8.973 -0.910 -4.249 1.00 0.00 C ATOM 1258 OE1 GLN A 82 9.943 -0.336 -3.753 1.00 0.00 O ATOM 1259 NE2 GLN A 82 9.139 -1.718 -5.261 1.00 0.00 N ATOM 0 H GLN A 82 4.312 -3.387 -3.932 1.00 0.00 H new ATOM 0 HA GLN A 82 5.489 -1.227 -2.268 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.199 -2.789 -3.411 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.600 -2.156 -4.932 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.105 0.168 -4.193 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.633 -0.423 -2.630 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.335 -2.193 -5.671 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.073 -1.874 -5.641 1.00 0.00 H new ATOM 1268 N ILE A 83 3.837 0.161 -3.491 1.00 0.00 N ATOM 1269 CA ILE A 83 2.961 1.062 -4.221 1.00 0.00 C ATOM 1270 C ILE A 83 3.641 2.393 -4.463 1.00 0.00 C ATOM 1271 O ILE A 83 4.162 3.019 -3.537 1.00 0.00 O ATOM 1272 CB ILE A 83 1.670 1.292 -3.429 1.00 0.00 C ATOM 1273 CG1 ILE A 83 1.142 -0.042 -2.878 1.00 0.00 C ATOM 1274 CG2 ILE A 83 0.613 1.920 -4.342 1.00 0.00 C ATOM 1275 CD1 ILE A 83 0.986 -1.052 -4.015 1.00 0.00 C ATOM 0 H ILE A 83 3.900 0.345 -2.490 1.00 0.00 H new ATOM 0 HA ILE A 83 2.727 0.604 -5.182 1.00 0.00 H new ATOM 0 HB ILE A 83 1.881 1.963 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.828 -0.432 -2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.183 0.113 -2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.305 2.083 -3.777 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.980 2.874 -4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.411 1.251 -5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.611 -1.994 -3.616 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.282 -0.665 -4.752 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.953 -1.218 -4.490 1.00 0.00 H new ATOM 1287 N LYS A 84 3.610 2.826 -5.713 1.00 0.00 N ATOM 1288 CA LYS A 84 4.204 4.097 -6.091 1.00 0.00 C ATOM 1289 C LYS A 84 3.088 5.113 -6.295 1.00 0.00 C ATOM 1290 O LYS A 84 2.429 5.126 -7.334 1.00 0.00 O ATOM 1291 CB LYS A 84 5.029 3.925 -7.376 1.00 0.00 C ATOM 1292 CG LYS A 84 5.368 5.292 -7.989 1.00 0.00 C ATOM 1293 CD LYS A 84 6.165 6.142 -6.988 1.00 0.00 C ATOM 1294 CE LYS A 84 5.349 7.375 -6.576 1.00 0.00 C ATOM 1295 NZ LYS A 84 5.848 8.570 -7.311 1.00 0.00 N ATOM 0 H LYS A 84 3.179 2.315 -6.484 1.00 0.00 H new ATOM 0 HA LYS A 84 4.873 4.450 -5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.948 3.382 -7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.470 3.326 -8.096 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.947 5.155 -8.902 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.451 5.811 -8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.410 5.547 -6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.109 6.454 -7.434 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.293 7.215 -6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.431 7.536 -5.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.118 9.310 -7.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.707 8.929 -6.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.068 8.307 -8.293 1.00 0.00 H new ATOM 1309 N ILE A 85 2.866 5.941 -5.277 1.00 0.00 N ATOM 1310 CA ILE A 85 1.804 6.940 -5.332 1.00 0.00 C ATOM 1311 C ILE A 85 2.312 8.252 -5.928 1.00 0.00 C ATOM 1312 O ILE A 85 2.886 9.087 -5.227 1.00 0.00 O ATOM 1313 CB ILE A 85 1.249 7.184 -3.921 1.00 0.00 C ATOM 1314 CG1 ILE A 85 0.318 6.027 -3.535 1.00 0.00 C ATOM 1315 CG2 ILE A 85 0.461 8.500 -3.892 1.00 0.00 C ATOM 1316 CD1 ILE A 85 1.127 4.914 -2.863 1.00 0.00 C ATOM 0 H ILE A 85 3.404 5.940 -4.410 1.00 0.00 H new ATOM 0 HA ILE A 85 1.010 6.562 -5.976 1.00 0.00 H new ATOM 0 HB ILE A 85 2.077 7.244 -3.214 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.459 6.383 -2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.184 5.640 -4.422 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.070 8.668 -2.889 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.119 9.324 -4.167 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.366 8.444 -4.599 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.462 4.095 -2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.888 4.550 -3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.608 5.304 -1.966 1.00 0.00 H new ATOM 1328 N ILE A 86 2.080 8.427 -7.226 1.00 0.00 N ATOM 1329 CA ILE A 86 2.498 9.644 -7.915 1.00 0.00 C ATOM 1330 C ILE A 86 1.466 10.746 -7.686 1.00 0.00 C ATOM 1331 O ILE A 86 0.271 10.471 -7.591 1.00 0.00 O ATOM 1332 CB ILE A 86 2.634 9.372 -9.419 1.00 0.00 C ATOM 1333 CG1 ILE A 86 3.854 8.478 -9.669 1.00 0.00 C ATOM 1334 CG2 ILE A 86 2.806 10.696 -10.177 1.00 0.00 C ATOM 1335 CD1 ILE A 86 3.665 7.698 -10.976 1.00 0.00 C ATOM 0 H ILE A 86 1.607 7.745 -7.819 1.00 0.00 H new ATOM 0 HA ILE A 86 3.462 9.963 -7.520 1.00 0.00 H new ATOM 0 HB ILE A 86 1.734 8.870 -9.774 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.757 9.086 -9.725 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.986 7.786 -8.837 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.902 10.495 -11.244 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.936 11.330 -10.004 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.702 11.205 -9.822 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.534 7.064 -11.150 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.772 7.078 -10.904 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.555 8.398 -11.805 1.00 0.00 H new ATOM 1347 N ASN A 87 1.933 11.990 -7.602 1.00 0.00 N ATOM 1348 CA ASN A 87 1.031 13.122 -7.387 1.00 0.00 C ATOM 1349 C ASN A 87 0.128 12.866 -6.182 1.00 0.00 C ATOM 1350 O ASN A 87 -1.055 12.564 -6.335 1.00 0.00 O ATOM 1351 CB ASN A 87 0.172 13.346 -8.641 1.00 0.00 C ATOM 1352 CG ASN A 87 -0.222 14.815 -8.752 1.00 0.00 C ATOM 1353 OD1 ASN A 87 -0.976 15.319 -7.920 1.00 0.00 O ATOM 1354 ND2 ASN A 87 0.242 15.538 -9.733 1.00 0.00 N ATOM 0 H ASN A 87 2.919 12.239 -7.678 1.00 0.00 H new ATOM 0 HA ASN A 87 1.629 14.012 -7.192 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.726 13.042 -9.529 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.722 12.724 -8.594 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -0.020 16.521 -9.811 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.867 15.121 -10.423 1.00 0.00 H new ATOM 1361 N PRO A 88 0.663 12.977 -4.989 1.00 0.00 N ATOM 1362 CA PRO A 88 -0.110 12.744 -3.739 1.00 0.00 C ATOM 1363 C PRO A 88 -1.067 13.895 -3.432 1.00 0.00 C ATOM 1364 O PRO A 88 -0.675 15.062 -3.440 1.00 0.00 O ATOM 1365 CB PRO A 88 0.957 12.608 -2.640 1.00 0.00 C ATOM 1366 CG PRO A 88 2.295 12.757 -3.306 1.00 0.00 C ATOM 1367 CD PRO A 88 2.055 13.333 -4.700 1.00 0.00 C ATOM 0 HA PRO A 88 -0.742 11.860 -3.820 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.821 13.371 -1.874 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.879 11.641 -2.144 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.941 13.416 -2.725 1.00 0.00 H new ATOM 0 HG3 PRO A 88 2.800 11.793 -3.372 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.204 14.413 -4.718 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.738 12.905 -5.433 1.00 0.00 H new ATOM 1375 N GLN A 89 -2.322 13.547 -3.155 1.00 0.00 N ATOM 1376 CA GLN A 89 -3.339 14.545 -2.835 1.00 0.00 C ATOM 1377 C GLN A 89 -3.799 14.374 -1.395 1.00 0.00 C ATOM 1378 O GLN A 89 -4.258 15.325 -0.760 1.00 0.00 O ATOM 1379 CB GLN A 89 -4.545 14.396 -3.767 1.00 0.00 C ATOM 1380 CG GLN A 89 -4.082 14.425 -5.225 1.00 0.00 C ATOM 1381 CD GLN A 89 -3.631 15.834 -5.601 1.00 0.00 C ATOM 1382 OE1 GLN A 89 -2.472 16.041 -5.958 1.00 0.00 O ATOM 1383 NE2 GLN A 89 -4.481 16.821 -5.535 1.00 0.00 N ATOM 0 H GLN A 89 -2.658 12.584 -3.146 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.903 15.535 -2.967 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.063 13.460 -3.559 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.257 15.201 -3.586 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -3.262 13.721 -5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -4.894 14.107 -5.879 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.442 16.648 -5.239 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.185 17.766 -5.780 1.00 0.00 H new ATOM 1392 N GLN A 90 -3.672 13.151 -0.886 1.00 0.00 N ATOM 1393 CA GLN A 90 -4.077 12.853 0.480 1.00 0.00 C ATOM 1394 C GLN A 90 -3.149 11.812 1.094 1.00 0.00 C ATOM 1395 O GLN A 90 -3.086 10.669 0.636 1.00 0.00 O ATOM 1396 CB GLN A 90 -5.517 12.333 0.497 1.00 0.00 C ATOM 1397 CG GLN A 90 -5.905 11.942 1.926 1.00 0.00 C ATOM 1398 CD GLN A 90 -7.422 11.856 2.050 1.00 0.00 C ATOM 1399 OE1 GLN A 90 -8.089 12.867 2.270 1.00 0.00 O ATOM 1400 NE2 GLN A 90 -8.012 10.699 1.918 1.00 0.00 N ATOM 0 H GLN A 90 -3.293 12.355 -1.399 1.00 0.00 H new ATOM 0 HA GLN A 90 -4.017 13.769 1.067 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.195 13.099 0.122 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.611 11.472 -0.165 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.456 10.983 2.184 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.515 12.676 2.631 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.458 9.862 1.736 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.027 10.632 1.997 1.00 0.00 H new ATOM 1409 N ILE A 91 -2.437 12.220 2.133 1.00 0.00 N ATOM 1410 CA ILE A 91 -1.510 11.333 2.822 1.00 0.00 C ATOM 1411 C ILE A 91 -2.018 11.038 4.236 1.00 0.00 C ATOM 1412 O ILE A 91 -2.097 11.934 5.077 1.00 0.00 O ATOM 1413 CB ILE A 91 -0.121 11.981 2.884 1.00 0.00 C ATOM 1414 CG1 ILE A 91 0.849 11.045 3.611 1.00 0.00 C ATOM 1415 CG2 ILE A 91 -0.198 13.321 3.625 1.00 0.00 C ATOM 1416 CD1 ILE A 91 2.254 11.219 3.031 1.00 0.00 C ATOM 0 H ILE A 91 -2.483 13.163 2.519 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.440 10.394 2.273 1.00 0.00 H new ATOM 0 HB ILE A 91 0.236 12.157 1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.854 11.266 4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.524 10.010 3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.793 13.773 3.664 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.881 13.989 3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.561 13.156 4.639 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.946 10.553 3.547 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.242 10.976 1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.577 12.252 3.163 1.00 0.00 H new ATOM 1428 N PRO A 92 -2.365 9.806 4.509 1.00 0.00 N ATOM 1429 CA PRO A 92 -2.880 9.403 5.845 1.00 0.00 C ATOM 1430 C PRO A 92 -1.797 9.515 6.921 1.00 0.00 C ATOM 1431 O PRO A 92 -0.619 9.283 6.649 1.00 0.00 O ATOM 1432 CB PRO A 92 -3.342 7.949 5.676 1.00 0.00 C ATOM 1433 CG PRO A 92 -3.093 7.559 4.249 1.00 0.00 C ATOM 1434 CD PRO A 92 -2.300 8.677 3.573 1.00 0.00 C ATOM 0 HA PRO A 92 -3.691 10.053 6.174 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.796 7.292 6.354 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.400 7.852 5.921 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.540 6.621 4.204 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.038 7.397 3.730 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.269 8.375 3.390 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -2.732 8.939 2.607 1.00 0.00 H new ATOM 1442 N PRO A 93 -2.176 9.873 8.126 1.00 0.00 N ATOM 1443 CA PRO A 93 -1.218 10.031 9.255 1.00 0.00 C ATOM 1444 C PRO A 93 -0.333 8.800 9.426 1.00 0.00 C ATOM 1445 O PRO A 93 0.726 8.870 10.037 1.00 0.00 O ATOM 1446 CB PRO A 93 -2.091 10.235 10.500 1.00 0.00 C ATOM 1447 CG PRO A 93 -3.521 10.182 10.057 1.00 0.00 C ATOM 1448 CD PRO A 93 -3.552 10.170 8.527 1.00 0.00 C ATOM 0 HA PRO A 93 -0.541 10.866 9.078 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.890 9.461 11.241 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.870 11.193 10.971 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.008 9.291 10.453 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.069 11.042 10.441 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.245 9.417 8.152 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.881 11.131 8.131 1.00 0.00 H new ATOM 1456 N GLU A 94 -0.777 7.676 8.878 1.00 0.00 N ATOM 1457 CA GLU A 94 -0.012 6.438 8.974 1.00 0.00 C ATOM 1458 C GLU A 94 1.346 6.602 8.305 1.00 0.00 C ATOM 1459 O GLU A 94 2.389 6.395 8.928 1.00 0.00 O ATOM 1460 CB GLU A 94 -0.779 5.309 8.291 1.00 0.00 C ATOM 1461 CG GLU A 94 -0.400 3.966 8.926 1.00 0.00 C ATOM 1462 CD GLU A 94 -1.190 3.753 10.218 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -0.779 4.280 11.239 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -2.196 3.067 10.166 1.00 0.00 O ATOM 0 H GLU A 94 -1.656 7.595 8.366 1.00 0.00 H new ATOM 0 HA GLU A 94 0.137 6.198 10.027 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.852 5.477 8.386 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.551 5.295 7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.604 3.154 8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.669 3.944 9.137 1.00 0.00 H new ATOM 1471 N VAL A 95 1.318 6.984 7.035 1.00 0.00 N ATOM 1472 CA VAL A 95 2.549 7.184 6.278 1.00 0.00 C ATOM 1473 C VAL A 95 3.156 8.534 6.631 1.00 0.00 C ATOM 1474 O VAL A 95 4.365 8.737 6.505 1.00 0.00 O ATOM 1475 CB VAL A 95 2.263 7.129 4.772 1.00 0.00 C ATOM 1476 CG1 VAL A 95 3.564 6.846 4.014 1.00 0.00 C ATOM 1477 CG2 VAL A 95 1.251 6.018 4.476 1.00 0.00 C ATOM 0 H VAL A 95 0.462 7.161 6.509 1.00 0.00 H new ATOM 0 HA VAL A 95 3.251 6.390 6.535 1.00 0.00 H new ATOM 0 HB VAL A 95 1.853 8.086 4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.360 6.807 2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.284 7.639 4.218 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.975 5.891 4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.052 5.983 3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.657 5.060 4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.323 6.219 5.012 1.00 0.00 H new ATOM 1487 N ALA A 96 2.304 9.454 7.073 1.00 0.00 N ATOM 1488 CA ALA A 96 2.761 10.791 7.442 1.00 0.00 C ATOM 1489 C ALA A 96 3.477 10.771 8.789 1.00 0.00 C ATOM 1490 O ALA A 96 4.528 11.385 8.945 1.00 0.00 O ATOM 1491 CB ALA A 96 1.578 11.759 7.514 1.00 0.00 C ATOM 0 H ALA A 96 1.302 9.301 7.184 1.00 0.00 H new ATOM 0 HA ALA A 96 3.459 11.126 6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.936 12.751 7.790 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.088 11.808 6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.866 11.409 8.262 1.00 0.00 H new ATOM 1497 N ALA A 97 2.892 10.067 9.756 1.00 0.00 N ATOM 1498 CA ALA A 97 3.466 9.970 11.101 1.00 0.00 C ATOM 1499 C ALA A 97 4.942 9.574 11.055 1.00 0.00 C ATOM 1500 O ALA A 97 5.676 9.783 12.021 1.00 0.00 O ATOM 1501 CB ALA A 97 2.690 8.937 11.921 1.00 0.00 C ATOM 0 H ALA A 97 2.019 9.554 9.635 1.00 0.00 H new ATOM 0 HA ALA A 97 3.391 10.952 11.567 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.120 8.868 12.920 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.646 9.241 11.996 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.750 7.965 11.432 1.00 0.00 H new ATOM 1507 N LEU A 98 5.366 8.996 9.933 1.00 0.00 N ATOM 1508 CA LEU A 98 6.753 8.568 9.780 1.00 0.00 C ATOM 1509 C LEU A 98 7.538 9.557 8.920 1.00 0.00 C ATOM 1510 O LEU A 98 8.760 9.661 9.039 1.00 0.00 O ATOM 1511 CB LEU A 98 6.796 7.178 9.132 1.00 0.00 C ATOM 1512 CG LEU A 98 6.011 6.179 9.992 1.00 0.00 C ATOM 1513 CD1 LEU A 98 6.080 4.789 9.350 1.00 0.00 C ATOM 1514 CD2 LEU A 98 6.616 6.117 11.401 1.00 0.00 C ATOM 0 H LEU A 98 4.774 8.815 9.123 1.00 0.00 H new ATOM 0 HA LEU A 98 7.211 8.529 10.768 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.371 7.221 8.129 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.829 6.848 9.027 1.00 0.00 H new ATOM 0 HG LEU A 98 4.972 6.503 10.059 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.523 4.078 9.960 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.646 4.828 8.351 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.120 4.471 9.282 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.054 5.406 12.007 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.656 5.797 11.337 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.568 7.104 11.861 1.00 0.00 H new ATOM 1526 N ILE A 99 6.826 10.279 8.057 1.00 0.00 N ATOM 1527 CA ILE A 99 7.462 11.255 7.174 1.00 0.00 C ATOM 1528 C ILE A 99 7.477 12.646 7.814 1.00 0.00 C ATOM 1529 O ILE A 99 8.282 13.499 7.435 1.00 0.00 O ATOM 1530 CB ILE A 99 6.712 11.299 5.834 1.00 0.00 C ATOM 1531 CG1 ILE A 99 6.903 9.963 5.104 1.00 0.00 C ATOM 1532 CG2 ILE A 99 7.261 12.437 4.964 1.00 0.00 C ATOM 1533 CD1 ILE A 99 5.994 9.908 3.872 1.00 0.00 C ATOM 0 H ILE A 99 5.814 10.208 7.950 1.00 0.00 H new ATOM 0 HA ILE A 99 8.495 10.950 7.005 1.00 0.00 H new ATOM 0 HB ILE A 99 5.652 11.471 6.020 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.945 9.848 4.804 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.672 9.136 5.775 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.724 12.462 4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.128 13.387 5.481 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.322 12.272 4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.135 8.957 3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.954 10.002 4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.246 10.726 3.197 1.00 0.00 H new ATOM 1545 N ASN A 100 6.589 12.872 8.782 1.00 0.00 N ATOM 1546 CA ASN A 100 6.518 14.168 9.457 1.00 0.00 C ATOM 1547 C ASN A 100 7.343 14.164 10.744 1.00 0.00 C ATOM 1548 O ASN A 100 7.760 15.218 11.226 1.00 0.00 O ATOM 1549 CB ASN A 100 5.060 14.505 9.791 1.00 0.00 C ATOM 1550 CG ASN A 100 4.539 13.617 10.921 1.00 0.00 C ATOM 1551 OD1 ASN A 100 3.602 13.995 11.626 1.00 0.00 O ATOM 1552 ND2 ASN A 100 5.086 12.454 11.135 1.00 0.00 N ATOM 0 H ASN A 100 5.915 12.182 9.114 1.00 0.00 H new ATOM 0 HA ASN A 100 6.927 14.921 8.783 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.982 15.553 10.081 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.440 14.373 8.904 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.738 11.857 11.886 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.862 12.140 10.552 1.00 0.00 H new ATOM 1559 N LEU A 101 7.560 12.974 11.294 1.00 0.00 N ATOM 1560 CA LEU A 101 8.323 12.826 12.533 1.00 0.00 C ATOM 1561 C LEU A 101 7.715 13.684 13.646 1.00 0.00 C ATOM 1562 O LEU A 101 8.318 14.663 14.091 1.00 0.00 O ATOM 1563 CB LEU A 101 9.788 13.223 12.308 1.00 0.00 C ATOM 1564 CG LEU A 101 10.642 12.739 13.488 1.00 0.00 C ATOM 1565 CD1 LEU A 101 11.345 11.430 13.118 1.00 0.00 C ATOM 1566 CD2 LEU A 101 11.696 13.798 13.831 1.00 0.00 C ATOM 0 H LEU A 101 7.219 12.096 10.903 1.00 0.00 H new ATOM 0 HA LEU A 101 8.282 11.780 12.836 1.00 0.00 H new ATOM 0 HB2 LEU A 101 10.154 12.787 11.379 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.870 14.305 12.207 1.00 0.00 H new ATOM 0 HG LEU A 101 9.995 12.573 14.350 1.00 0.00 H new ATOM 0 HD11 LEU A 101 11.950 11.091 13.959 1.00 0.00 H new ATOM 0 HD12 LEU A 101 10.600 10.672 12.878 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.987 11.594 12.252 1.00 0.00 H new ATOM 0 HD21 LEU A 101 12.301 13.451 14.669 1.00 0.00 H new ATOM 0 HD22 LEU A 101 12.337 13.966 12.966 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.200 14.730 14.102 1.00 0.00 H new ATOM 1578 N GLU A 102 6.522 13.304 14.094 1.00 0.00 N ATOM 1579 CA GLU A 102 5.841 14.038 15.160 1.00 0.00 C ATOM 1580 C GLU A 102 6.285 13.529 16.529 1.00 0.00 C ATOM 1581 O GLU A 102 6.046 14.175 17.549 1.00 0.00 O ATOM 1582 CB GLU A 102 4.314 13.897 15.033 1.00 0.00 C ATOM 1583 CG GLU A 102 3.948 12.548 14.400 1.00 0.00 C ATOM 1584 CD GLU A 102 4.572 11.400 15.190 1.00 0.00 C ATOM 1585 OE1 GLU A 102 4.152 11.182 16.314 1.00 0.00 O ATOM 1586 OE2 GLU A 102 5.461 10.756 14.656 1.00 0.00 O ATOM 0 H GLU A 102 6.008 12.498 13.739 1.00 0.00 H new ATOM 0 HA GLU A 102 6.109 15.090 15.063 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.852 13.981 16.017 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.917 14.710 14.425 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.864 12.433 14.375 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.296 12.518 13.367 1.00 0.00 H new ATOM 1593 N HIS A 103 6.935 12.366 16.540 1.00 0.00 N ATOM 1594 CA HIS A 103 7.412 11.779 17.789 1.00 0.00 C ATOM 1595 C HIS A 103 8.531 12.628 18.377 1.00 0.00 C ATOM 1596 O HIS A 103 9.637 12.677 17.838 1.00 0.00 O ATOM 1597 CB HIS A 103 7.917 10.356 17.541 1.00 0.00 C ATOM 1598 CG HIS A 103 6.742 9.437 17.347 1.00 0.00 C ATOM 1599 ND1 HIS A 103 6.557 8.712 16.183 1.00 0.00 N ATOM 1600 CD2 HIS A 103 5.677 9.124 18.158 1.00 0.00 C ATOM 1601 CE1 HIS A 103 5.420 8.007 16.321 1.00 0.00 C ATOM 1602 NE2 HIS A 103 4.845 8.221 17.507 1.00 0.00 N ATOM 0 H HIS A 103 7.141 11.817 15.706 1.00 0.00 H new ATOM 0 HA HIS A 103 6.584 11.746 18.497 1.00 0.00 H new ATOM 0 HB2 HIS A 103 8.559 10.334 16.661 1.00 0.00 H new ATOM 0 HB3 HIS A 103 8.520 10.020 18.384 1.00 0.00 H new ATOM 0 HD2 HIS A 103 5.512 9.519 19.149 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.021 7.348 15.564 1.00 0.00 H new ATOM 0 HE2 HIS A 103 3.981 7.810 17.860 1.00 0.00 H new ATOM 1610 N HIS A 104 8.229 13.297 19.485 1.00 0.00 N ATOM 1611 CA HIS A 104 9.206 14.150 20.151 1.00 0.00 C ATOM 1612 C HIS A 104 9.365 13.743 21.613 1.00 0.00 C ATOM 1613 O HIS A 104 9.487 14.594 22.494 1.00 0.00 O ATOM 1614 CB HIS A 104 8.765 15.618 20.059 1.00 0.00 C ATOM 1615 CG HIS A 104 7.421 15.800 20.721 1.00 0.00 C ATOM 1616 ND1 HIS A 104 6.675 14.732 21.197 1.00 0.00 N ATOM 1617 CD2 HIS A 104 6.678 16.923 20.990 1.00 0.00 C ATOM 1618 CE1 HIS A 104 5.541 15.230 21.720 1.00 0.00 C ATOM 1619 NE2 HIS A 104 5.491 16.562 21.621 1.00 0.00 N ATOM 0 H HIS A 104 7.317 13.265 19.940 1.00 0.00 H new ATOM 0 HA HIS A 104 10.168 14.032 19.653 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.505 16.259 20.539 1.00 0.00 H new ATOM 0 HB3 HIS A 104 8.709 15.924 19.014 1.00 0.00 H new ATOM 0 HD2 HIS A 104 6.971 17.934 20.748 1.00 0.00 H new ATOM 0 HE1 HIS A 104 4.764 14.627 22.166 1.00 0.00 H new ATOM 0 HE2 HIS A 104 4.745 17.180 21.939 1.00 0.00 H new ATOM 1627 N HIS A 105 9.363 12.437 21.867 1.00 0.00 N ATOM 1628 CA HIS A 105 9.510 11.934 23.232 1.00 0.00 C ATOM 1629 C HIS A 105 10.850 12.372 23.820 1.00 0.00 C ATOM 1630 O HIS A 105 11.882 11.737 23.585 1.00 0.00 O ATOM 1631 CB HIS A 105 9.414 10.402 23.245 1.00 0.00 C ATOM 1632 CG HIS A 105 8.104 9.978 23.855 1.00 0.00 C ATOM 1633 ND1 HIS A 105 7.289 9.023 23.267 1.00 0.00 N ATOM 1634 CD2 HIS A 105 7.451 10.373 24.998 1.00 0.00 C ATOM 1635 CE1 HIS A 105 6.205 8.877 24.049 1.00 0.00 C ATOM 1636 NE2 HIS A 105 6.253 9.676 25.118 1.00 0.00 N ATOM 0 H HIS A 105 9.262 11.714 21.155 1.00 0.00 H new ATOM 0 HA HIS A 105 8.706 12.348 23.840 1.00 0.00 H new ATOM 0 HB2 HIS A 105 9.495 10.015 22.229 1.00 0.00 H new ATOM 0 HB3 HIS A 105 10.243 9.981 23.813 1.00 0.00 H new ATOM 0 HD2 HIS A 105 7.813 11.112 25.697 1.00 0.00 H new ATOM 0 HE1 HIS A 105 5.394 8.196 23.838 1.00 0.00 H new ATOM 0 HE2 HIS A 105 5.560 9.758 25.862 1.00 0.00 H new ATOM 1644 N HIS A 106 10.824 13.461 24.584 1.00 0.00 N ATOM 1645 CA HIS A 106 12.037 13.985 25.207 1.00 0.00 C ATOM 1646 C HIS A 106 11.847 14.104 26.717 1.00 0.00 C ATOM 1647 O HIS A 106 10.752 13.880 27.234 1.00 0.00 O ATOM 1648 CB HIS A 106 12.382 15.358 24.615 1.00 0.00 C ATOM 1649 CG HIS A 106 11.226 16.303 24.807 1.00 0.00 C ATOM 1650 ND1 HIS A 106 10.330 16.592 23.790 1.00 0.00 N ATOM 1651 CD2 HIS A 106 10.807 17.031 25.893 1.00 0.00 C ATOM 1652 CE1 HIS A 106 9.426 17.459 24.281 1.00 0.00 C ATOM 1653 NE2 HIS A 106 9.670 17.760 25.558 1.00 0.00 N ATOM 0 H HIS A 106 9.980 13.996 24.786 1.00 0.00 H new ATOM 0 HA HIS A 106 12.857 13.295 25.008 1.00 0.00 H new ATOM 0 HB2 HIS A 106 13.274 15.758 25.097 1.00 0.00 H new ATOM 0 HB3 HIS A 106 12.610 15.259 23.554 1.00 0.00 H new ATOM 0 HD1 HIS A 106 10.352 16.216 22.842 1.00 0.00 H new ATOM 0 HD2 HIS A 106 11.287 17.037 26.860 1.00 0.00 H new ATOM 0 HE1 HIS A 106 8.602 17.863 23.711 1.00 0.00 H new ATOM 1661 N HIS A 107 12.923 14.453 27.418 1.00 0.00 N ATOM 1662 CA HIS A 107 12.869 14.596 28.872 1.00 0.00 C ATOM 1663 C HIS A 107 13.850 15.664 29.344 1.00 0.00 C ATOM 1664 O HIS A 107 14.924 15.831 28.766 1.00 0.00 O ATOM 1665 CB HIS A 107 13.195 13.255 29.544 1.00 0.00 C ATOM 1666 CG HIS A 107 14.323 12.578 28.813 1.00 0.00 C ATOM 1667 ND1 HIS A 107 15.589 13.135 28.730 1.00 0.00 N ATOM 1668 CD2 HIS A 107 14.393 11.388 28.133 1.00 0.00 C ATOM 1669 CE1 HIS A 107 16.359 12.290 28.023 1.00 0.00 C ATOM 1670 NE2 HIS A 107 15.679 11.207 27.633 1.00 0.00 N ATOM 0 H HIS A 107 13.837 14.641 27.007 1.00 0.00 H new ATOM 0 HA HIS A 107 11.861 14.902 29.151 1.00 0.00 H new ATOM 0 HB2 HIS A 107 13.471 13.418 30.586 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.313 12.614 29.544 1.00 0.00 H new ATOM 0 HD1 HIS A 107 15.883 14.025 29.132 1.00 0.00 H new ATOM 0 HD2 HIS A 107 13.574 10.696 28.005 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.401 12.465 27.797 1.00 0.00 H new ATOM 1678 N HIS A 108 13.466 16.385 30.399 1.00 0.00 N ATOM 1679 CA HIS A 108 14.308 17.443 30.952 1.00 0.00 C ATOM 1680 C HIS A 108 15.756 16.971 31.085 1.00 0.00 C ATOM 1681 CB HIS A 108 13.782 17.857 32.331 1.00 0.00 C ATOM 1682 CG HIS A 108 12.626 18.810 32.174 1.00 0.00 C ATOM 1683 ND1 HIS A 108 11.498 18.489 31.435 1.00 0.00 N ATOM 1684 CD2 HIS A 108 12.404 20.070 32.668 1.00 0.00 C ATOM 1685 CE1 HIS A 108 10.655 19.535 31.507 1.00 0.00 C ATOM 1686 NE2 HIS A 108 11.158 20.527 32.247 1.00 0.00 N ATOM 0 H HIS A 108 12.579 16.255 30.885 1.00 0.00 H new ATOM 0 HA HIS A 108 14.277 18.295 30.273 1.00 0.00 H new ATOM 0 HB2 HIS A 108 13.465 16.976 32.888 1.00 0.00 H new ATOM 0 HB3 HIS A 108 14.578 18.329 32.907 1.00 0.00 H new ATOM 0 HD2 HIS A 108 13.092 20.624 33.290 1.00 0.00 H new ATOM 0 HE1 HIS A 108 9.689 19.569 31.025 1.00 0.00 H new ATOM 0 HE2 HIS A 108 10.723 21.425 32.458 1.00 0.00 H new TER 1694 HIS A 108