USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 916 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 11 THR OG1 : rot -68:sc= 0.448 USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= 0.352 USER MOD Set 1.3: A 78 SER OG : rot -64:sc= 0 USER MOD Set 2.1: A 70 ASN : amide:sc= 0.634 K(o=1.1,f=-3.3!) USER MOD Set 2.2: A 72 THR OG1 : rot -76:sc= 0.513 USER MOD Set 2.3: A 73 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 65 TYR OH : rot 130:sc= 0.627 USER MOD Set 3.2: A 67 LYS NZ :NH3+ -112:sc= 0.707 (180deg=0) USER MOD Set 4.1: A 38 SER OG : rot -166:sc= 0.479 USER MOD Set 4.2: A 40 ASN : amide:sc= 0.264 X(o=0.74,f=0.58) USER MOD Single : A 1 MET CE :methyl -171:sc=-0.00167 (180deg=-0.138) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0339) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -2.31 K(o=-2.3,f=-7.9!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0729 X(o=-0.073,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -80:sc= 0.491 USER MOD Single : A 28 THR OG1 : rot 3:sc= 0.551 USER MOD Single : A 33 HIS : no HD1:sc= 0.0396 K(o=0.04,f=-0.58) USER MOD Single : A 41 MET CE :methyl -142:sc= -0.666 (180deg=-1.94) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -112:sc= 0.795 (180deg=0.0129) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -81:sc= 0.719 USER MOD Single : A 58 THR OG1 : rot 90:sc= 0.898 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -2.15! C(o=-2.2!,f=-5.7!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 100 THR OG1 : rot -39:sc= 0.234 USER MOD Single : A 106 CYS SG : rot 11:sc= -5.22! USER MOD Single : A 112 LYS NZ :NH3+ -168:sc= -0.0136 (180deg=-0.214) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.359 -23.808 9.731 1.00 0.00 N ATOM 2 CA MET A 1 5.858 -22.585 9.065 1.00 0.00 C ATOM 3 C MET A 1 6.087 -22.695 7.548 1.00 0.00 C ATOM 4 O MET A 1 7.148 -22.308 7.042 1.00 0.00 O ATOM 5 CB MET A 1 6.542 -21.314 9.641 1.00 0.00 C ATOM 6 CG MET A 1 6.377 -21.134 11.157 1.00 0.00 C ATOM 7 SD MET A 1 7.005 -19.555 11.779 1.00 0.00 S ATOM 8 CE MET A 1 8.742 -19.630 11.345 1.00 0.00 C ATOM 0 H1 MET A 1 6.128 -23.771 10.744 1.00 0.00 H new ATOM 0 H2 MET A 1 5.911 -24.644 9.304 1.00 0.00 H new ATOM 0 H3 MET A 1 7.390 -23.870 9.613 1.00 0.00 H new ATOM 0 HA MET A 1 4.789 -22.493 9.256 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.606 -21.351 9.406 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.134 -20.437 9.137 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.320 -21.219 11.410 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.894 -21.946 11.668 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.270 -18.797 11.810 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.165 -20.571 11.698 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.849 -19.568 10.262 1.00 0.00 H new ATOM 20 N ASN A 2 5.092 -23.252 6.834 1.00 0.00 N ATOM 21 CA ASN A 2 5.183 -23.499 5.384 1.00 0.00 C ATOM 22 C ASN A 2 5.122 -22.162 4.624 1.00 0.00 C ATOM 23 O ASN A 2 4.045 -21.576 4.480 1.00 0.00 O ATOM 24 CB ASN A 2 4.050 -24.455 4.925 1.00 0.00 C ATOM 25 CG ASN A 2 4.128 -24.810 3.432 1.00 0.00 C ATOM 26 OD1 ASN A 2 3.504 -24.161 2.592 1.00 0.00 O ATOM 27 ND2 ASN A 2 4.900 -25.838 3.093 1.00 0.00 N ATOM 0 H ASN A 2 4.205 -23.543 7.245 1.00 0.00 H new ATOM 0 HA ASN A 2 6.135 -23.980 5.161 1.00 0.00 H new ATOM 0 HB2 ASN A 2 4.096 -25.372 5.513 1.00 0.00 H new ATOM 0 HB3 ASN A 2 3.086 -23.991 5.132 1.00 0.00 H new ATOM 0 HD21 ASN A 2 4.988 -26.109 2.113 1.00 0.00 H new ATOM 0 HD22 ASN A 2 5.404 -26.356 3.812 1.00 0.00 H new ATOM 34 N ILE A 3 6.318 -21.667 4.230 1.00 0.00 N ATOM 35 CA ILE A 3 6.517 -20.388 3.493 1.00 0.00 C ATOM 36 C ILE A 3 6.235 -19.149 4.415 1.00 0.00 C ATOM 37 O ILE A 3 6.384 -17.986 4.011 1.00 0.00 O ATOM 38 CB ILE A 3 5.688 -20.351 2.128 1.00 0.00 C ATOM 39 CG1 ILE A 3 5.939 -21.659 1.292 1.00 0.00 C ATOM 40 CG2 ILE A 3 6.027 -19.104 1.272 1.00 0.00 C ATOM 41 CD1 ILE A 3 5.101 -21.799 0.024 1.00 0.00 C ATOM 0 H ILE A 3 7.195 -22.154 4.418 1.00 0.00 H new ATOM 0 HA ILE A 3 7.567 -20.330 3.206 1.00 0.00 H new ATOM 0 HB ILE A 3 4.634 -20.292 2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.993 -21.696 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.746 -22.521 1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.439 -19.122 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.792 -18.201 1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.088 -19.111 1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.352 -22.734 -0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.043 -21.800 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.309 -20.963 -0.644 1.00 0.00 H new ATOM 53 N GLY A 4 5.914 -19.424 5.701 1.00 0.00 N ATOM 54 CA GLY A 4 5.672 -18.389 6.712 1.00 0.00 C ATOM 55 C GLY A 4 6.956 -18.013 7.435 1.00 0.00 C ATOM 56 O GLY A 4 7.049 -18.089 8.662 1.00 0.00 O ATOM 0 H GLY A 4 5.817 -20.374 6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.248 -17.505 6.236 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.937 -18.747 7.433 1.00 0.00 H new ATOM 60 N ARG A 5 7.953 -17.628 6.636 1.00 0.00 N ATOM 61 CA ARG A 5 9.288 -17.226 7.098 1.00 0.00 C ATOM 62 C ARG A 5 9.852 -16.197 6.115 1.00 0.00 C ATOM 63 O ARG A 5 9.474 -16.197 4.935 1.00 0.00 O ATOM 64 CB ARG A 5 10.234 -18.451 7.209 1.00 0.00 C ATOM 65 CG ARG A 5 10.472 -19.215 5.881 1.00 0.00 C ATOM 66 CD ARG A 5 11.574 -20.282 6.000 1.00 0.00 C ATOM 67 NE ARG A 5 12.872 -19.684 6.390 1.00 0.00 N ATOM 68 CZ ARG A 5 13.680 -20.124 7.372 1.00 0.00 C ATOM 69 NH1 ARG A 5 13.342 -21.172 8.114 1.00 0.00 N ATOM 70 NH2 ARG A 5 14.828 -19.506 7.591 1.00 0.00 N ATOM 0 H ARG A 5 7.854 -17.585 5.622 1.00 0.00 H new ATOM 0 HA ARG A 5 9.210 -16.787 8.093 1.00 0.00 H new ATOM 0 HB2 ARG A 5 11.196 -18.115 7.595 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.822 -19.145 7.941 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.543 -19.691 5.569 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.743 -18.504 5.101 1.00 0.00 H new ATOM 0 HD2 ARG A 5 11.280 -21.029 6.738 1.00 0.00 H new ATOM 0 HD3 ARG A 5 11.683 -20.801 5.048 1.00 0.00 H new ATOM 0 HE ARG A 5 13.181 -18.865 5.867 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.460 -21.655 7.943 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.965 -21.494 8.855 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.093 -18.705 7.018 1.00 0.00 H new ATOM 0 HH22 ARG A 5 15.449 -19.831 8.333 1.00 0.00 H new ATOM 84 N LEU A 6 10.770 -15.347 6.586 1.00 0.00 N ATOM 85 CA LEU A 6 11.248 -14.192 5.812 1.00 0.00 C ATOM 86 C LEU A 6 12.261 -14.632 4.738 1.00 0.00 C ATOM 87 O LEU A 6 13.443 -14.838 5.016 1.00 0.00 O ATOM 88 CB LEU A 6 11.819 -13.091 6.747 1.00 0.00 C ATOM 89 CG LEU A 6 10.835 -12.516 7.837 1.00 0.00 C ATOM 90 CD1 LEU A 6 9.412 -12.313 7.282 1.00 0.00 C ATOM 91 CD2 LEU A 6 10.823 -13.367 9.119 1.00 0.00 C ATOM 0 H LEU A 6 11.201 -15.437 7.506 1.00 0.00 H new ATOM 0 HA LEU A 6 10.399 -13.752 5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 6 12.694 -13.495 7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 6 12.165 -12.263 6.128 1.00 0.00 H new ATOM 0 HG LEU A 6 11.219 -11.533 8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.769 -11.916 8.067 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.443 -11.611 6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.016 -13.268 6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.131 -12.931 9.839 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.505 -14.382 8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 6 11.825 -13.392 9.548 1.00 0.00 H new ATOM 103 N ARG A 7 11.740 -14.832 3.519 1.00 0.00 N ATOM 104 CA ARG A 7 12.507 -15.293 2.354 1.00 0.00 C ATOM 105 C ARG A 7 12.921 -14.119 1.461 1.00 0.00 C ATOM 106 O ARG A 7 14.048 -14.075 0.971 1.00 0.00 O ATOM 107 CB ARG A 7 11.647 -16.295 1.542 1.00 0.00 C ATOM 108 CG ARG A 7 11.302 -17.593 2.304 1.00 0.00 C ATOM 109 CD ARG A 7 12.559 -18.397 2.689 1.00 0.00 C ATOM 110 NE ARG A 7 13.319 -18.829 1.502 1.00 0.00 N ATOM 111 CZ ARG A 7 14.585 -18.488 1.204 1.00 0.00 C ATOM 112 NH1 ARG A 7 15.295 -17.710 2.009 1.00 0.00 N ATOM 113 NH2 ARG A 7 15.132 -18.939 0.092 1.00 0.00 N ATOM 0 H ARG A 7 10.754 -14.675 3.312 1.00 0.00 H new ATOM 0 HA ARG A 7 13.415 -15.781 2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.720 -15.804 1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.178 -16.554 0.626 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.742 -17.344 3.206 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.652 -18.213 1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.198 -17.788 3.328 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.267 -19.271 3.271 1.00 0.00 H new ATOM 0 HE ARG A 7 12.839 -19.444 0.845 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.882 -17.358 2.873 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.254 -17.463 1.764 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.595 -19.541 -0.533 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.092 -18.686 -0.143 1.00 0.00 H new ATOM 127 N ASP A 8 11.986 -13.183 1.263 1.00 0.00 N ATOM 128 CA ASP A 8 12.111 -12.036 0.349 1.00 0.00 C ATOM 129 C ASP A 8 12.418 -10.755 1.142 1.00 0.00 C ATOM 130 O ASP A 8 12.773 -10.818 2.321 1.00 0.00 O ATOM 131 CB ASP A 8 10.780 -11.861 -0.438 1.00 0.00 C ATOM 132 CG ASP A 8 10.434 -13.086 -1.288 1.00 0.00 C ATOM 133 OD1 ASP A 8 11.158 -13.347 -2.270 1.00 0.00 O ATOM 134 OD2 ASP A 8 9.461 -13.813 -0.964 1.00 0.00 O ATOM 0 H ASP A 8 11.090 -13.201 1.750 1.00 0.00 H new ATOM 0 HA ASP A 8 12.929 -12.220 -0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.969 -11.670 0.265 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.856 -10.985 -1.083 1.00 0.00 H new ATOM 139 N ARG A 9 12.292 -9.599 0.464 1.00 0.00 N ATOM 140 CA ARG A 9 12.370 -8.251 1.069 1.00 0.00 C ATOM 141 C ARG A 9 11.421 -7.308 0.316 1.00 0.00 C ATOM 142 O ARG A 9 11.181 -7.498 -0.885 1.00 0.00 O ATOM 143 CB ARG A 9 13.819 -7.678 1.013 1.00 0.00 C ATOM 144 CG ARG A 9 14.821 -8.316 1.999 1.00 0.00 C ATOM 145 CD ARG A 9 16.248 -7.775 1.825 1.00 0.00 C ATOM 146 NE ARG A 9 16.812 -8.127 0.496 1.00 0.00 N ATOM 147 CZ ARG A 9 17.212 -7.251 -0.452 1.00 0.00 C ATOM 148 NH1 ARG A 9 17.130 -5.942 -0.251 1.00 0.00 N ATOM 149 NH2 ARG A 9 17.676 -7.693 -1.615 1.00 0.00 N ATOM 0 H ARG A 9 12.129 -9.573 -0.543 1.00 0.00 H new ATOM 0 HA ARG A 9 12.080 -8.330 2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.202 -7.803 0.000 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.776 -6.606 1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.488 -8.130 3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.826 -9.397 1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.243 -6.691 1.943 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.888 -8.178 2.610 1.00 0.00 H new ATOM 0 HE ARG A 9 16.906 -9.119 0.280 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.761 -5.583 0.630 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.436 -5.294 -0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.731 -8.696 -1.794 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.977 -7.030 -2.329 1.00 0.00 H new ATOM 163 N ILE A 10 10.893 -6.284 1.020 1.00 0.00 N ATOM 164 CA ILE A 10 10.051 -5.224 0.411 1.00 0.00 C ATOM 165 C ILE A 10 10.445 -3.865 0.979 1.00 0.00 C ATOM 166 O ILE A 10 10.818 -3.767 2.152 1.00 0.00 O ATOM 167 CB ILE A 10 8.481 -5.416 0.611 1.00 0.00 C ATOM 168 CG1 ILE A 10 7.949 -4.979 2.029 1.00 0.00 C ATOM 169 CG2 ILE A 10 8.045 -6.847 0.283 1.00 0.00 C ATOM 170 CD1 ILE A 10 8.517 -5.707 3.228 1.00 0.00 C ATOM 0 H ILE A 10 11.036 -6.166 2.023 1.00 0.00 H new ATOM 0 HA ILE A 10 10.239 -5.291 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 10 8.019 -4.733 -0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.148 -3.915 2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.866 -5.104 2.038 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.969 -6.942 0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.291 -7.073 -0.754 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.564 -7.545 0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.069 -5.312 4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.295 -6.771 3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.597 -5.563 3.263 1.00 0.00 H new ATOM 182 N THR A 11 10.369 -2.839 0.143 1.00 0.00 N ATOM 183 CA THR A 11 10.450 -1.452 0.567 1.00 0.00 C ATOM 184 C THR A 11 9.031 -0.954 0.864 1.00 0.00 C ATOM 185 O THR A 11 8.143 -1.063 0.006 1.00 0.00 O ATOM 186 CB THR A 11 11.107 -0.564 -0.538 1.00 0.00 C ATOM 187 OG1 THR A 11 12.203 -1.281 -1.123 1.00 0.00 O ATOM 188 CG2 THR A 11 11.625 0.761 0.037 1.00 0.00 C ATOM 0 H THR A 11 10.248 -2.951 -0.864 1.00 0.00 H new ATOM 0 HA THR A 11 11.072 -1.384 1.460 1.00 0.00 H new ATOM 0 HB THR A 11 10.349 -0.336 -1.288 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.918 -1.382 -0.461 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.075 1.352 -0.760 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.796 1.316 0.476 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.372 0.557 0.804 1.00 0.00 H new ATOM 196 N ILE A 12 8.825 -0.443 2.080 1.00 0.00 N ATOM 197 CA ILE A 12 7.546 0.148 2.487 1.00 0.00 C ATOM 198 C ILE A 12 7.365 1.480 1.757 1.00 0.00 C ATOM 199 O ILE A 12 8.069 2.447 2.042 1.00 0.00 O ATOM 200 CB ILE A 12 7.467 0.366 4.049 1.00 0.00 C ATOM 201 CG1 ILE A 12 7.603 -0.987 4.814 1.00 0.00 C ATOM 202 CG2 ILE A 12 6.167 1.107 4.451 1.00 0.00 C ATOM 203 CD1 ILE A 12 6.540 -2.020 4.488 1.00 0.00 C ATOM 0 H ILE A 12 9.538 -0.427 2.809 1.00 0.00 H new ATOM 0 HA ILE A 12 6.745 -0.542 2.220 1.00 0.00 H new ATOM 0 HB ILE A 12 8.308 0.997 4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.582 -1.414 4.595 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.576 -0.786 5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.144 1.241 5.533 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.138 2.082 3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.303 0.520 4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.721 -2.924 5.069 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.556 -1.620 4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.578 -2.258 3.425 1.00 0.00 H new ATOM 215 N GLN A 13 6.450 1.497 0.781 1.00 0.00 N ATOM 216 CA GLN A 13 6.114 2.704 0.040 1.00 0.00 C ATOM 217 C GLN A 13 5.176 3.552 0.904 1.00 0.00 C ATOM 218 O GLN A 13 3.959 3.341 0.972 1.00 0.00 O ATOM 219 CB GLN A 13 5.501 2.372 -1.342 1.00 0.00 C ATOM 220 CG GLN A 13 5.274 3.614 -2.214 1.00 0.00 C ATOM 221 CD GLN A 13 4.706 3.300 -3.593 1.00 0.00 C ATOM 222 OE1 GLN A 13 3.493 3.273 -3.784 1.00 0.00 O ATOM 223 NE2 GLN A 13 5.576 3.061 -4.560 1.00 0.00 N ATOM 0 H GLN A 13 5.926 0.672 0.488 1.00 0.00 H new ATOM 0 HA GLN A 13 7.019 3.274 -0.170 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.160 1.681 -1.868 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.551 1.858 -1.197 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.594 4.291 -1.696 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.220 4.142 -2.332 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.577 3.092 -4.365 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.246 2.846 -5.501 1.00 0.00 H new ATOM 232 N THR A 14 5.822 4.476 1.593 1.00 0.00 N ATOM 233 CA THR A 14 5.214 5.351 2.572 1.00 0.00 C ATOM 234 C THR A 14 4.530 6.537 1.855 1.00 0.00 C ATOM 235 O THR A 14 5.037 7.025 0.840 1.00 0.00 O ATOM 236 CB THR A 14 6.328 5.832 3.556 1.00 0.00 C ATOM 237 OG1 THR A 14 7.037 4.685 4.067 1.00 0.00 O ATOM 238 CG2 THR A 14 5.756 6.634 4.721 1.00 0.00 C ATOM 0 H THR A 14 6.822 4.641 1.479 1.00 0.00 H new ATOM 0 HA THR A 14 4.445 4.827 3.140 1.00 0.00 H new ATOM 0 HB THR A 14 7.003 6.486 3.004 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.738 4.982 4.684 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.566 6.948 5.379 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.238 7.513 4.338 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.054 6.015 5.279 1.00 0.00 H new ATOM 246 N LEU A 15 3.364 6.982 2.363 1.00 0.00 N ATOM 247 CA LEU A 15 2.579 8.058 1.733 1.00 0.00 C ATOM 248 C LEU A 15 2.869 9.381 2.444 1.00 0.00 C ATOM 249 O LEU A 15 2.407 9.608 3.568 1.00 0.00 O ATOM 250 CB LEU A 15 1.061 7.736 1.785 1.00 0.00 C ATOM 251 CG LEU A 15 0.108 8.805 1.154 1.00 0.00 C ATOM 252 CD1 LEU A 15 0.497 9.137 -0.305 1.00 0.00 C ATOM 253 CD2 LEU A 15 -1.364 8.363 1.255 1.00 0.00 C ATOM 0 H LEU A 15 2.944 6.609 3.214 1.00 0.00 H new ATOM 0 HA LEU A 15 2.868 8.140 0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.894 6.786 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.776 7.595 2.828 1.00 0.00 H new ATOM 0 HG LEU A 15 0.224 9.723 1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.190 9.883 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.513 9.530 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.443 8.233 -0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.004 9.124 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.498 7.420 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.633 8.231 2.303 1.00 0.00 H new ATOM 265 N LYS A 16 3.663 10.231 1.792 1.00 0.00 N ATOM 266 CA LYS A 16 3.991 11.570 2.288 1.00 0.00 C ATOM 267 C LYS A 16 3.049 12.589 1.637 1.00 0.00 C ATOM 268 O LYS A 16 2.960 12.655 0.408 1.00 0.00 O ATOM 269 CB LYS A 16 5.471 11.901 1.965 1.00 0.00 C ATOM 270 CG LYS A 16 6.021 13.135 2.707 1.00 0.00 C ATOM 271 CD LYS A 16 7.537 13.330 2.482 1.00 0.00 C ATOM 272 CE LYS A 16 8.151 14.354 3.446 1.00 0.00 C ATOM 273 NZ LYS A 16 9.610 14.507 3.229 1.00 0.00 N ATOM 0 H LYS A 16 4.100 10.009 0.898 1.00 0.00 H new ATOM 0 HA LYS A 16 3.862 11.610 3.370 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.087 11.037 2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.569 12.063 0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.489 14.025 2.371 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.825 13.031 3.774 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.044 12.373 2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.709 13.654 1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.660 15.318 3.313 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.967 14.042 4.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.989 15.207 3.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.081 13.592 3.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.784 14.829 2.256 1.00 0.00 H new ATOM 287 N GLN A 17 2.336 13.361 2.459 1.00 0.00 N ATOM 288 CA GLN A 17 1.399 14.389 1.993 1.00 0.00 C ATOM 289 C GLN A 17 2.058 15.765 2.151 1.00 0.00 C ATOM 290 O GLN A 17 2.159 16.298 3.261 1.00 0.00 O ATOM 291 CB GLN A 17 0.072 14.282 2.783 1.00 0.00 C ATOM 292 CG GLN A 17 -0.641 12.930 2.605 1.00 0.00 C ATOM 293 CD GLN A 17 -1.969 12.848 3.352 1.00 0.00 C ATOM 294 OE1 GLN A 17 -2.017 12.443 4.511 1.00 0.00 O ATOM 295 NE2 GLN A 17 -3.056 13.226 2.693 1.00 0.00 N ATOM 0 H GLN A 17 2.392 13.291 3.475 1.00 0.00 H new ATOM 0 HA GLN A 17 1.160 14.245 0.939 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.275 14.440 3.842 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.597 15.081 2.464 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.817 12.757 1.543 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.015 12.132 2.954 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.980 13.557 1.731 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.968 13.185 3.148 1.00 0.00 H new ATOM 304 N THR A 18 2.537 16.306 1.026 1.00 0.00 N ATOM 305 CA THR A 18 3.282 17.566 0.966 1.00 0.00 C ATOM 306 C THR A 18 2.421 18.628 0.266 1.00 0.00 C ATOM 307 O THR A 18 2.005 18.430 -0.875 1.00 0.00 O ATOM 308 CB THR A 18 4.638 17.354 0.208 1.00 0.00 C ATOM 309 OG1 THR A 18 5.427 16.387 0.924 1.00 0.00 O ATOM 310 CG2 THR A 18 5.449 18.650 0.066 1.00 0.00 C ATOM 0 H THR A 18 2.414 15.870 0.112 1.00 0.00 H new ATOM 0 HA THR A 18 3.512 17.907 1.975 1.00 0.00 H new ATOM 0 HB THR A 18 4.399 17.007 -0.797 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.277 16.247 0.456 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.377 18.442 -0.467 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.867 19.384 -0.492 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.679 19.045 1.055 1.00 0.00 H new ATOM 318 N ARG A 19 2.143 19.738 0.968 1.00 0.00 N ATOM 319 CA ARG A 19 1.302 20.829 0.454 1.00 0.00 C ATOM 320 C ARG A 19 2.014 21.583 -0.698 1.00 0.00 C ATOM 321 O ARG A 19 3.229 21.448 -0.888 1.00 0.00 O ATOM 322 CB ARG A 19 0.939 21.791 1.628 1.00 0.00 C ATOM 323 CG ARG A 19 -0.226 22.769 1.335 1.00 0.00 C ATOM 324 CD ARG A 19 -0.644 23.617 2.547 1.00 0.00 C ATOM 325 NE ARG A 19 0.417 24.542 2.984 1.00 0.00 N ATOM 326 CZ ARG A 19 0.337 25.349 4.054 1.00 0.00 C ATOM 327 NH1 ARG A 19 -0.691 25.272 4.889 1.00 0.00 N ATOM 328 NH2 ARG A 19 1.317 26.203 4.302 1.00 0.00 N ATOM 0 H ARG A 19 2.496 19.904 1.910 1.00 0.00 H new ATOM 0 HA ARG A 19 0.383 20.414 0.041 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.680 21.193 2.502 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.824 22.371 1.890 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.066 23.434 0.522 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.088 22.199 0.988 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.538 24.188 2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.909 22.957 3.373 1.00 0.00 H new ATOM 0 HE ARG A 19 1.275 24.571 2.433 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.434 24.593 4.722 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.739 25.892 5.698 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.126 26.245 3.682 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.263 26.819 5.113 1.00 0.00 H new ATOM 342 N ASP A 20 1.245 22.381 -1.450 1.00 0.00 N ATOM 343 CA ASP A 20 1.755 23.224 -2.546 1.00 0.00 C ATOM 344 C ASP A 20 1.581 24.701 -2.147 1.00 0.00 C ATOM 345 O ASP A 20 0.861 25.011 -1.187 1.00 0.00 O ATOM 346 CB ASP A 20 0.999 22.917 -3.869 1.00 0.00 C ATOM 347 CG ASP A 20 1.546 23.704 -5.075 1.00 0.00 C ATOM 348 OD1 ASP A 20 2.705 23.467 -5.471 1.00 0.00 O ATOM 349 OD2 ASP A 20 0.833 24.574 -5.609 1.00 0.00 O ATOM 0 H ASP A 20 0.237 22.462 -1.315 1.00 0.00 H new ATOM 0 HA ASP A 20 2.811 23.012 -2.715 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.066 21.850 -4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.058 23.151 -3.739 1.00 0.00 H new ATOM 354 N ILE A 21 2.250 25.599 -2.880 1.00 0.00 N ATOM 355 CA ILE A 21 2.157 27.063 -2.702 1.00 0.00 C ATOM 356 C ILE A 21 0.763 27.657 -3.103 1.00 0.00 C ATOM 357 O ILE A 21 0.563 28.873 -3.051 1.00 0.00 O ATOM 358 CB ILE A 21 3.330 27.737 -3.518 1.00 0.00 C ATOM 359 CG1 ILE A 21 3.590 29.212 -3.059 1.00 0.00 C ATOM 360 CG2 ILE A 21 3.070 27.648 -5.043 1.00 0.00 C ATOM 361 CD1 ILE A 21 4.772 29.890 -3.733 1.00 0.00 C ATOM 0 H ILE A 21 2.886 25.328 -3.630 1.00 0.00 H new ATOM 0 HA ILE A 21 2.257 27.283 -1.639 1.00 0.00 H new ATOM 0 HB ILE A 21 4.241 27.177 -3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.693 29.801 -3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.751 29.219 -1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.893 28.120 -5.580 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.996 26.602 -5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.138 28.160 -5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.874 30.906 -3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.683 29.330 -3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.608 29.921 -4.810 1.00 0.00 H new ATOM 373 N THR A 22 -0.209 26.808 -3.480 1.00 0.00 N ATOM 374 CA THR A 22 -1.621 27.215 -3.690 1.00 0.00 C ATOM 375 C THR A 22 -2.472 26.819 -2.451 1.00 0.00 C ATOM 376 O THR A 22 -3.627 27.229 -2.303 1.00 0.00 O ATOM 377 CB THR A 22 -2.194 26.506 -4.959 1.00 0.00 C ATOM 378 OG1 THR A 22 -2.010 25.086 -4.847 1.00 0.00 O ATOM 379 CG2 THR A 22 -1.519 26.994 -6.255 1.00 0.00 C ATOM 0 H THR A 22 -0.043 25.816 -3.650 1.00 0.00 H new ATOM 0 HA THR A 22 -1.662 28.295 -3.829 1.00 0.00 H new ATOM 0 HB THR A 22 -3.254 26.754 -5.015 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.088 24.856 -5.088 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.951 26.472 -7.109 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.678 28.067 -6.367 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.450 26.789 -6.208 1.00 0.00 H new ATOM 387 N GLY A 23 -1.857 25.999 -1.586 1.00 0.00 N ATOM 388 CA GLY A 23 -2.489 25.487 -0.370 1.00 0.00 C ATOM 389 C GLY A 23 -3.244 24.190 -0.599 1.00 0.00 C ATOM 390 O GLY A 23 -4.222 23.907 0.097 1.00 0.00 O ATOM 0 H GLY A 23 -0.899 25.672 -1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.725 25.328 0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.176 26.238 0.020 1.00 0.00 H new ATOM 394 N GLU A 24 -2.772 23.382 -1.560 1.00 0.00 N ATOM 395 CA GLU A 24 -3.363 22.074 -1.896 1.00 0.00 C ATOM 396 C GLU A 24 -2.458 20.957 -1.334 1.00 0.00 C ATOM 397 O GLU A 24 -1.240 21.040 -1.475 1.00 0.00 O ATOM 398 CB GLU A 24 -3.472 21.924 -3.443 1.00 0.00 C ATOM 399 CG GLU A 24 -4.391 22.942 -4.158 1.00 0.00 C ATOM 400 CD GLU A 24 -5.883 22.799 -3.805 1.00 0.00 C ATOM 401 OE1 GLU A 24 -6.462 21.722 -4.078 1.00 0.00 O ATOM 402 OE2 GLU A 24 -6.495 23.762 -3.295 1.00 0.00 O ATOM 0 H GLU A 24 -1.962 23.619 -2.132 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.360 22.001 -1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.472 22.006 -3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.832 20.920 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.064 23.951 -3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.271 22.829 -5.235 1.00 0.00 H new ATOM 409 N ILE A 25 -3.044 19.927 -0.697 1.00 0.00 N ATOM 410 CA ILE A 25 -2.282 18.766 -0.188 1.00 0.00 C ATOM 411 C ILE A 25 -2.018 17.764 -1.333 1.00 0.00 C ATOM 412 O ILE A 25 -2.957 17.157 -1.855 1.00 0.00 O ATOM 413 CB ILE A 25 -3.039 18.047 0.999 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.253 19.022 2.204 1.00 0.00 C ATOM 415 CG2 ILE A 25 -2.299 16.761 1.452 1.00 0.00 C ATOM 416 CD1 ILE A 25 -1.982 19.588 2.807 1.00 0.00 C ATOM 0 H ILE A 25 -4.047 19.873 -0.521 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.332 19.134 0.198 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.019 17.749 0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.880 19.850 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.804 18.496 2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.848 16.294 2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.232 16.066 0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.295 17.019 1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.236 20.251 3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.359 18.772 3.174 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.437 20.148 2.047 1.00 0.00 H new ATOM 428 N LEU A 26 -0.737 17.612 -1.731 1.00 0.00 N ATOM 429 CA LEU A 26 -0.324 16.666 -2.789 1.00 0.00 C ATOM 430 C LEU A 26 0.149 15.357 -2.136 1.00 0.00 C ATOM 431 O LEU A 26 1.120 15.353 -1.376 1.00 0.00 O ATOM 432 CB LEU A 26 0.813 17.268 -3.689 1.00 0.00 C ATOM 433 CG LEU A 26 0.369 18.269 -4.807 1.00 0.00 C ATOM 434 CD1 LEU A 26 -0.314 19.527 -4.232 1.00 0.00 C ATOM 435 CD2 LEU A 26 1.561 18.638 -5.725 1.00 0.00 C ATOM 0 H LEU A 26 0.038 18.140 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.180 16.470 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.527 17.777 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.345 16.443 -4.163 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.380 17.761 -5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.603 20.189 -5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.201 19.235 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.379 20.047 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.226 19.335 -6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.347 19.104 -5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.949 17.736 -6.197 1.00 0.00 H new ATOM 447 N GLU A 27 -0.560 14.260 -2.427 1.00 0.00 N ATOM 448 CA GLU A 27 -0.216 12.924 -1.937 1.00 0.00 C ATOM 449 C GLU A 27 0.830 12.295 -2.869 1.00 0.00 C ATOM 450 O GLU A 27 0.577 12.092 -4.062 1.00 0.00 O ATOM 451 CB GLU A 27 -1.492 12.057 -1.859 1.00 0.00 C ATOM 452 CG GLU A 27 -2.525 12.561 -0.831 1.00 0.00 C ATOM 453 CD GLU A 27 -3.809 11.718 -0.795 1.00 0.00 C ATOM 454 OE1 GLU A 27 -3.740 10.549 -0.372 1.00 0.00 O ATOM 455 OE2 GLU A 27 -4.884 12.212 -1.206 1.00 0.00 O ATOM 0 H GLU A 27 -1.394 14.277 -3.014 1.00 0.00 H new ATOM 0 HA GLU A 27 0.211 12.989 -0.936 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.959 12.025 -2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.211 11.035 -1.606 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.071 12.561 0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.784 13.594 -1.063 1.00 0.00 H new ATOM 462 N THR A 28 2.002 11.998 -2.307 1.00 0.00 N ATOM 463 CA THR A 28 3.169 11.479 -3.046 1.00 0.00 C ATOM 464 C THR A 28 3.719 10.232 -2.345 1.00 0.00 C ATOM 465 O THR A 28 3.626 10.110 -1.117 1.00 0.00 O ATOM 466 CB THR A 28 4.289 12.569 -3.183 1.00 0.00 C ATOM 467 OG1 THR A 28 4.543 13.185 -1.912 1.00 0.00 O ATOM 468 CG2 THR A 28 3.922 13.649 -4.220 1.00 0.00 C ATOM 0 H THR A 28 2.177 12.111 -1.308 1.00 0.00 H new ATOM 0 HA THR A 28 2.844 11.210 -4.051 1.00 0.00 H new ATOM 0 HB THR A 28 5.189 12.064 -3.532 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.995 12.753 -1.224 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.726 14.382 -4.281 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.780 13.184 -5.195 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.000 14.146 -3.917 1.00 0.00 H new ATOM 476 N TRP A 29 4.330 9.334 -3.127 1.00 0.00 N ATOM 477 CA TRP A 29 4.750 8.005 -2.666 1.00 0.00 C ATOM 478 C TRP A 29 6.281 7.928 -2.596 1.00 0.00 C ATOM 479 O TRP A 29 6.961 7.846 -3.625 1.00 0.00 O ATOM 480 CB TRP A 29 4.172 6.922 -3.605 1.00 0.00 C ATOM 481 CG TRP A 29 2.660 6.852 -3.573 1.00 0.00 C ATOM 482 CD1 TRP A 29 1.776 7.382 -4.475 1.00 0.00 C ATOM 483 CD2 TRP A 29 1.866 6.231 -2.552 1.00 0.00 C ATOM 484 NE1 TRP A 29 0.490 7.103 -4.085 1.00 0.00 N ATOM 485 CE2 TRP A 29 0.518 6.402 -2.908 1.00 0.00 C ATOM 486 CE3 TRP A 29 2.174 5.531 -1.377 1.00 0.00 C ATOM 487 CZ2 TRP A 29 -0.525 5.908 -2.130 1.00 0.00 C ATOM 488 CZ3 TRP A 29 1.142 5.048 -0.602 1.00 0.00 C ATOM 489 CH2 TRP A 29 -0.198 5.235 -0.984 1.00 0.00 C ATOM 0 H TRP A 29 4.549 9.511 -4.107 1.00 0.00 H new ATOM 0 HA TRP A 29 4.363 7.828 -1.662 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.499 7.123 -4.625 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.581 5.951 -3.325 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.050 7.936 -5.360 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.353 7.374 -4.591 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.202 5.373 -1.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.555 6.051 -2.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.366 4.518 0.312 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.986 4.839 -0.360 1.00 0.00 H new ATOM 500 N GLU A 30 6.791 7.995 -1.364 1.00 0.00 N ATOM 501 CA GLU A 30 8.226 7.884 -1.070 1.00 0.00 C ATOM 502 C GLU A 30 8.565 6.407 -0.795 1.00 0.00 C ATOM 503 O GLU A 30 7.695 5.630 -0.370 1.00 0.00 O ATOM 504 CB GLU A 30 8.612 8.762 0.156 1.00 0.00 C ATOM 505 CG GLU A 30 7.941 8.339 1.477 1.00 0.00 C ATOM 506 CD GLU A 30 8.506 9.040 2.722 1.00 0.00 C ATOM 507 OE1 GLU A 30 9.633 8.698 3.143 1.00 0.00 O ATOM 508 OE2 GLU A 30 7.830 9.915 3.299 1.00 0.00 O ATOM 0 H GLU A 30 6.216 8.129 -0.533 1.00 0.00 H new ATOM 0 HA GLU A 30 8.796 8.242 -1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.694 8.729 0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.348 9.798 -0.056 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.873 8.545 1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.051 7.261 1.599 1.00 0.00 H new ATOM 515 N ASP A 31 9.821 6.014 -1.058 1.00 0.00 N ATOM 516 CA ASP A 31 10.330 4.696 -0.650 1.00 0.00 C ATOM 517 C ASP A 31 10.823 4.828 0.798 1.00 0.00 C ATOM 518 O ASP A 31 11.548 5.776 1.135 1.00 0.00 O ATOM 519 CB ASP A 31 11.441 4.162 -1.607 1.00 0.00 C ATOM 520 CG ASP A 31 12.742 4.983 -1.595 1.00 0.00 C ATOM 521 OD1 ASP A 31 12.831 5.984 -2.340 1.00 0.00 O ATOM 522 OD2 ASP A 31 13.686 4.637 -0.842 1.00 0.00 O ATOM 0 H ASP A 31 10.503 6.590 -1.551 1.00 0.00 H new ATOM 0 HA ASP A 31 9.534 3.954 -0.711 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.673 3.132 -1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.048 4.142 -2.624 1.00 0.00 H new ATOM 527 N GLY A 32 10.415 3.893 1.652 1.00 0.00 N ATOM 528 CA GLY A 32 10.637 3.993 3.093 1.00 0.00 C ATOM 529 C GLY A 32 11.747 3.072 3.551 1.00 0.00 C ATOM 530 O GLY A 32 12.898 3.255 3.160 1.00 0.00 O ATOM 0 H GLY A 32 9.922 3.047 1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 32 10.887 5.022 3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.717 3.745 3.622 1.00 0.00 H new ATOM 534 N HIS A 33 11.392 2.061 4.353 1.00 0.00 N ATOM 535 CA HIS A 33 12.352 1.100 4.924 1.00 0.00 C ATOM 536 C HIS A 33 12.126 -0.280 4.311 1.00 0.00 C ATOM 537 O HIS A 33 10.979 -0.729 4.198 1.00 0.00 O ATOM 538 CB HIS A 33 12.194 1.030 6.463 1.00 0.00 C ATOM 539 CG HIS A 33 12.715 2.234 7.204 1.00 0.00 C ATOM 540 ND1 HIS A 33 12.008 3.410 7.327 1.00 0.00 N ATOM 541 CD2 HIS A 33 13.879 2.428 7.873 1.00 0.00 C ATOM 542 CE1 HIS A 33 12.709 4.272 8.038 1.00 0.00 C ATOM 543 NE2 HIS A 33 13.849 3.703 8.384 1.00 0.00 N ATOM 0 H HIS A 33 10.426 1.883 4.627 1.00 0.00 H new ATOM 0 HA HIS A 33 13.364 1.433 4.694 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.138 0.903 6.701 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.712 0.143 6.828 1.00 0.00 H new ATOM 0 HD2 HIS A 33 14.681 1.713 7.983 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.402 5.275 8.294 1.00 0.00 H new ATOM 0 HE2 HIS A 33 14.586 4.138 8.939 1.00 0.00 H new ATOM 552 N THR A 34 13.217 -0.954 3.929 1.00 0.00 N ATOM 553 CA THR A 34 13.172 -2.280 3.318 1.00 0.00 C ATOM 554 C THR A 34 13.456 -3.356 4.369 1.00 0.00 C ATOM 555 O THR A 34 14.598 -3.496 4.821 1.00 0.00 O ATOM 556 CB THR A 34 14.202 -2.379 2.155 1.00 0.00 C ATOM 557 OG1 THR A 34 13.990 -1.282 1.263 1.00 0.00 O ATOM 558 CG2 THR A 34 14.073 -3.701 1.371 1.00 0.00 C ATOM 0 H THR A 34 14.163 -0.588 4.038 1.00 0.00 H new ATOM 0 HA THR A 34 12.174 -2.441 2.911 1.00 0.00 H new ATOM 0 HB THR A 34 15.203 -2.350 2.586 1.00 0.00 H new ATOM 0 HG1 THR A 34 14.634 -1.331 0.526 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.812 -3.723 0.570 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.242 -4.541 2.044 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.073 -3.774 0.943 1.00 0.00 H new ATOM 566 N LEU A 35 12.410 -4.099 4.782 1.00 0.00 N ATOM 567 CA LEU A 35 12.543 -5.178 5.787 1.00 0.00 C ATOM 568 C LEU A 35 12.327 -6.568 5.178 1.00 0.00 C ATOM 569 O LEU A 35 11.845 -6.715 4.047 1.00 0.00 O ATOM 570 CB LEU A 35 11.586 -4.985 7.013 1.00 0.00 C ATOM 571 CG LEU A 35 10.048 -4.816 6.747 1.00 0.00 C ATOM 572 CD1 LEU A 35 9.223 -5.179 8.003 1.00 0.00 C ATOM 573 CD2 LEU A 35 9.713 -3.378 6.294 1.00 0.00 C ATOM 0 H LEU A 35 11.459 -3.972 4.435 1.00 0.00 H new ATOM 0 HA LEU A 35 13.570 -5.111 6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.715 -5.843 7.672 1.00 0.00 H new ATOM 0 HB3 LEU A 35 11.925 -4.107 7.563 1.00 0.00 H new ATOM 0 HG LEU A 35 9.781 -5.503 5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.161 -5.053 7.790 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.417 -6.216 8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.508 -4.525 8.827 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.641 -3.293 6.118 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.010 -2.673 7.071 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.251 -3.152 5.374 1.00 0.00 H new ATOM 585 N TRP A 36 12.743 -7.563 5.974 1.00 0.00 N ATOM 586 CA TRP A 36 12.580 -8.994 5.701 1.00 0.00 C ATOM 587 C TRP A 36 11.087 -9.362 5.491 1.00 0.00 C ATOM 588 O TRP A 36 10.250 -9.109 6.368 1.00 0.00 O ATOM 589 CB TRP A 36 13.173 -9.804 6.882 1.00 0.00 C ATOM 590 CG TRP A 36 14.571 -9.392 7.311 1.00 0.00 C ATOM 591 CD1 TRP A 36 14.937 -8.832 8.503 1.00 0.00 C ATOM 592 CD2 TRP A 36 15.779 -9.506 6.545 1.00 0.00 C ATOM 593 NE1 TRP A 36 16.287 -8.623 8.536 1.00 0.00 N ATOM 594 CE2 TRP A 36 16.827 -9.015 7.347 1.00 0.00 C ATOM 595 CE3 TRP A 36 16.076 -9.976 5.266 1.00 0.00 C ATOM 596 CZ2 TRP A 36 18.143 -8.985 6.916 1.00 0.00 C ATOM 597 CZ3 TRP A 36 17.390 -9.940 4.839 1.00 0.00 C ATOM 598 CH2 TRP A 36 18.406 -9.448 5.661 1.00 0.00 C ATOM 0 H TRP A 36 13.220 -7.384 6.858 1.00 0.00 H new ATOM 0 HA TRP A 36 13.110 -9.239 4.781 1.00 0.00 H new ATOM 0 HB2 TRP A 36 12.505 -9.710 7.738 1.00 0.00 H new ATOM 0 HB3 TRP A 36 13.191 -10.858 6.606 1.00 0.00 H new ATOM 0 HD1 TRP A 36 14.256 -8.589 9.305 1.00 0.00 H new ATOM 0 HE1 TRP A 36 16.807 -8.236 9.323 1.00 0.00 H new ATOM 0 HE3 TRP A 36 15.297 -10.359 4.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 18.932 -8.609 7.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 17.636 -10.299 3.851 1.00 0.00 H new ATOM 0 HH2 TRP A 36 19.422 -9.434 5.295 1.00 0.00 H new ATOM 609 N ALA A 37 10.784 -9.942 4.315 1.00 0.00 N ATOM 610 CA ALA A 37 9.414 -10.297 3.892 1.00 0.00 C ATOM 611 C ALA A 37 9.339 -11.716 3.327 1.00 0.00 C ATOM 612 O ALA A 37 10.330 -12.413 3.298 1.00 0.00 O ATOM 613 CB ALA A 37 8.945 -9.305 2.829 1.00 0.00 C ATOM 0 H ALA A 37 11.493 -10.181 3.621 1.00 0.00 H new ATOM 0 HA ALA A 37 8.770 -10.254 4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.934 -9.562 2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.950 -8.297 3.244 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.616 -9.347 1.971 1.00 0.00 H new ATOM 619 N SER A 38 8.119 -12.157 2.979 1.00 0.00 N ATOM 620 CA SER A 38 7.863 -13.302 2.092 1.00 0.00 C ATOM 621 C SER A 38 6.588 -12.986 1.283 1.00 0.00 C ATOM 622 O SER A 38 5.473 -13.095 1.808 1.00 0.00 O ATOM 623 CB SER A 38 7.685 -14.591 2.935 1.00 0.00 C ATOM 624 OG SER A 38 7.472 -15.740 2.131 1.00 0.00 O ATOM 0 H SER A 38 7.263 -11.716 3.315 1.00 0.00 H new ATOM 0 HA SER A 38 8.700 -13.468 1.413 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.570 -14.743 3.553 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.841 -14.464 3.613 1.00 0.00 H new ATOM 0 HG SER A 38 7.145 -16.475 2.691 1.00 0.00 H new ATOM 630 N VAL A 39 6.756 -12.565 0.020 1.00 0.00 N ATOM 631 CA VAL A 39 5.652 -12.078 -0.836 1.00 0.00 C ATOM 632 C VAL A 39 5.158 -13.219 -1.718 1.00 0.00 C ATOM 633 O VAL A 39 5.901 -13.696 -2.580 1.00 0.00 O ATOM 634 CB VAL A 39 6.111 -10.887 -1.754 1.00 0.00 C ATOM 635 CG1 VAL A 39 4.934 -10.339 -2.615 1.00 0.00 C ATOM 636 CG2 VAL A 39 6.751 -9.776 -0.907 1.00 0.00 C ATOM 0 H VAL A 39 7.665 -12.551 -0.443 1.00 0.00 H new ATOM 0 HA VAL A 39 4.855 -11.721 -0.184 1.00 0.00 H new ATOM 0 HB VAL A 39 6.862 -11.265 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.290 -9.517 -3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.548 -11.135 -3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.140 -9.981 -1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.064 -8.958 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.025 -9.407 -0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.619 -10.174 -0.381 1.00 0.00 H new ATOM 646 N ASN A 40 3.921 -13.676 -1.493 1.00 0.00 N ATOM 647 CA ASN A 40 3.326 -14.792 -2.246 1.00 0.00 C ATOM 648 C ASN A 40 1.891 -14.434 -2.664 1.00 0.00 C ATOM 649 O ASN A 40 1.090 -13.989 -1.834 1.00 0.00 O ATOM 650 CB ASN A 40 3.308 -16.082 -1.371 1.00 0.00 C ATOM 651 CG ASN A 40 4.690 -16.490 -0.855 1.00 0.00 C ATOM 652 OD1 ASN A 40 5.399 -17.268 -1.487 1.00 0.00 O ATOM 653 ND2 ASN A 40 5.083 -15.957 0.297 1.00 0.00 N ATOM 0 H ASN A 40 3.302 -13.284 -0.784 1.00 0.00 H new ATOM 0 HA ASN A 40 3.928 -14.974 -3.137 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.643 -15.926 -0.521 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.891 -16.902 -1.955 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.998 -16.191 0.681 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.469 -15.314 0.797 1.00 0.00 H new ATOM 660 N MET A 41 1.576 -14.628 -3.954 1.00 0.00 N ATOM 661 CA MET A 41 0.203 -14.529 -4.477 1.00 0.00 C ATOM 662 C MET A 41 -0.678 -15.609 -3.815 1.00 0.00 C ATOM 663 O MET A 41 -0.268 -16.779 -3.761 1.00 0.00 O ATOM 664 CB MET A 41 0.212 -14.744 -6.010 1.00 0.00 C ATOM 665 CG MET A 41 0.872 -13.630 -6.834 1.00 0.00 C ATOM 666 SD MET A 41 -0.074 -12.097 -6.821 1.00 0.00 S ATOM 667 CE MET A 41 -1.688 -12.633 -7.400 1.00 0.00 C ATOM 0 H MET A 41 2.268 -14.859 -4.667 1.00 0.00 H new ATOM 0 HA MET A 41 -0.198 -13.541 -4.252 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.725 -15.682 -6.224 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.818 -14.860 -6.348 1.00 0.00 H new ATOM 0 HG2 MET A 41 1.871 -13.438 -6.443 1.00 0.00 H new ATOM 0 HG3 MET A 41 0.992 -13.968 -7.863 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.113 -11.869 -8.051 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.584 -13.565 -7.955 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.347 -12.790 -6.546 1.00 0.00 H new ATOM 677 N VAL A 42 -1.865 -15.216 -3.306 1.00 0.00 N ATOM 678 CA VAL A 42 -2.782 -16.152 -2.627 1.00 0.00 C ATOM 679 C VAL A 42 -3.411 -17.110 -3.649 1.00 0.00 C ATOM 680 O VAL A 42 -3.546 -16.768 -4.834 1.00 0.00 O ATOM 681 CB VAL A 42 -3.934 -15.421 -1.815 1.00 0.00 C ATOM 682 CG1 VAL A 42 -3.361 -14.336 -0.874 1.00 0.00 C ATOM 683 CG2 VAL A 42 -5.059 -14.850 -2.733 1.00 0.00 C ATOM 0 H VAL A 42 -2.209 -14.257 -3.353 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.179 -16.704 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.406 -16.185 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.177 -13.855 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.676 -14.797 -0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.826 -13.590 -1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.817 -14.363 -2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.631 -14.125 -3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.516 -15.663 -3.297 1.00 0.00 H new ATOM 693 N SER A 43 -3.774 -18.305 -3.185 1.00 0.00 N ATOM 694 CA SER A 43 -4.542 -19.262 -3.982 1.00 0.00 C ATOM 695 C SER A 43 -6.026 -18.850 -4.017 1.00 0.00 C ATOM 696 O SER A 43 -6.468 -17.991 -3.232 1.00 0.00 O ATOM 697 CB SER A 43 -4.390 -20.676 -3.381 1.00 0.00 C ATOM 698 OG SER A 43 -3.030 -21.041 -3.241 1.00 0.00 O ATOM 0 H SER A 43 -3.545 -18.637 -2.248 1.00 0.00 H new ATOM 0 HA SER A 43 -4.161 -19.268 -5.003 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.879 -20.712 -2.407 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.897 -21.399 -4.019 1.00 0.00 H new ATOM 0 HG SER A 43 -2.971 -21.940 -2.856 1.00 0.00 H new ATOM 704 N SER A 44 -6.794 -19.504 -4.902 1.00 0.00 N ATOM 705 CA SER A 44 -8.246 -19.283 -5.038 1.00 0.00 C ATOM 706 C SER A 44 -9.003 -19.620 -3.733 1.00 0.00 C ATOM 707 O SER A 44 -10.113 -19.141 -3.529 1.00 0.00 O ATOM 708 CB SER A 44 -8.786 -20.129 -6.210 1.00 0.00 C ATOM 709 OG SER A 44 -8.415 -21.493 -6.087 1.00 0.00 O ATOM 0 H SER A 44 -6.426 -20.204 -5.547 1.00 0.00 H new ATOM 0 HA SER A 44 -8.413 -18.225 -5.242 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.872 -20.049 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.406 -19.732 -7.151 1.00 0.00 H new ATOM 0 HG SER A 44 -8.775 -22.000 -6.845 1.00 0.00 H new ATOM 715 N LYS A 45 -8.360 -20.441 -2.868 1.00 0.00 N ATOM 716 CA LYS A 45 -8.888 -20.878 -1.551 1.00 0.00 C ATOM 717 C LYS A 45 -9.362 -19.692 -0.684 1.00 0.00 C ATOM 718 O LYS A 45 -10.339 -19.821 0.048 1.00 0.00 O ATOM 719 CB LYS A 45 -7.795 -21.682 -0.781 1.00 0.00 C ATOM 720 CG LYS A 45 -6.566 -20.840 -0.362 1.00 0.00 C ATOM 721 CD LYS A 45 -5.411 -21.669 0.232 1.00 0.00 C ATOM 722 CE LYS A 45 -5.775 -22.383 1.543 1.00 0.00 C ATOM 723 NZ LYS A 45 -5.975 -21.423 2.659 1.00 0.00 N ATOM 0 H LYS A 45 -7.438 -20.827 -3.071 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.754 -21.511 -1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.243 -22.120 0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.459 -22.508 -1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.199 -20.295 -1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.880 -20.097 0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.094 -22.412 -0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.559 -21.013 0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.684 -22.966 1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.984 -23.086 1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.214 -21.540 3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.959 -20.451 2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.893 -21.605 3.113 1.00 0.00 H new ATOM 737 N GLU A 46 -8.650 -18.546 -0.781 1.00 0.00 N ATOM 738 CA GLU A 46 -8.952 -17.348 0.024 1.00 0.00 C ATOM 739 C GLU A 46 -10.266 -16.698 -0.446 1.00 0.00 C ATOM 740 O GLU A 46 -11.082 -16.258 0.374 1.00 0.00 O ATOM 741 CB GLU A 46 -7.789 -16.326 -0.046 1.00 0.00 C ATOM 742 CG GLU A 46 -6.446 -16.857 0.492 1.00 0.00 C ATOM 743 CD GLU A 46 -6.512 -17.386 1.937 1.00 0.00 C ATOM 744 OE1 GLU A 46 -6.923 -16.624 2.843 1.00 0.00 O ATOM 745 OE2 GLU A 46 -6.118 -18.549 2.183 1.00 0.00 O ATOM 0 H GLU A 46 -7.859 -18.429 -1.414 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.070 -17.660 1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.655 -16.016 -1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.068 -15.437 0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.096 -17.657 -0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.706 -16.058 0.442 1.00 0.00 H new ATOM 752 N ALA A 47 -10.444 -16.649 -1.783 1.00 0.00 N ATOM 753 CA ALA A 47 -11.679 -16.158 -2.427 1.00 0.00 C ATOM 754 C ALA A 47 -12.877 -17.074 -2.068 1.00 0.00 C ATOM 755 O ALA A 47 -13.965 -16.593 -1.733 1.00 0.00 O ATOM 756 CB ALA A 47 -11.485 -16.072 -3.957 1.00 0.00 C ATOM 0 H ALA A 47 -9.732 -16.950 -2.448 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.897 -15.157 -2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.402 -15.709 -4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.669 -15.386 -4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.247 -17.061 -4.350 1.00 0.00 H new ATOM 762 N ILE A 48 -12.629 -18.398 -2.133 1.00 0.00 N ATOM 763 CA ILE A 48 -13.609 -19.448 -1.770 1.00 0.00 C ATOM 764 C ILE A 48 -14.044 -19.307 -0.293 1.00 0.00 C ATOM 765 O ILE A 48 -15.236 -19.375 0.025 1.00 0.00 O ATOM 766 CB ILE A 48 -13.006 -20.890 -2.016 1.00 0.00 C ATOM 767 CG1 ILE A 48 -12.636 -21.091 -3.525 1.00 0.00 C ATOM 768 CG2 ILE A 48 -13.959 -22.011 -1.520 1.00 0.00 C ATOM 769 CD1 ILE A 48 -11.897 -22.389 -3.844 1.00 0.00 C ATOM 0 H ILE A 48 -11.733 -18.775 -2.442 1.00 0.00 H new ATOM 0 HA ILE A 48 -14.484 -19.320 -2.407 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.092 -20.964 -1.427 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.552 -21.058 -4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -12.019 -20.252 -3.847 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.505 -22.984 -1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.134 -21.893 -0.451 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.908 -21.944 -2.052 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -11.686 -22.434 -4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.960 -22.421 -3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -12.517 -23.240 -3.560 1.00 0.00 H new ATOM 781 N SER A 49 -13.051 -19.066 0.580 1.00 0.00 N ATOM 782 CA SER A 49 -13.243 -18.963 2.040 1.00 0.00 C ATOM 783 C SER A 49 -14.085 -17.726 2.403 1.00 0.00 C ATOM 784 O SER A 49 -14.902 -17.767 3.332 1.00 0.00 O ATOM 785 CB SER A 49 -11.863 -18.902 2.738 1.00 0.00 C ATOM 786 OG SER A 49 -11.979 -18.940 4.152 1.00 0.00 O ATOM 0 H SER A 49 -12.082 -18.936 0.291 1.00 0.00 H new ATOM 0 HA SER A 49 -13.784 -19.844 2.385 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.250 -19.738 2.402 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.347 -17.989 2.441 1.00 0.00 H new ATOM 0 HG SER A 49 -11.086 -18.901 4.555 1.00 0.00 H new ATOM 792 N SER A 50 -13.875 -16.633 1.655 1.00 0.00 N ATOM 793 CA SER A 50 -14.596 -15.365 1.853 1.00 0.00 C ATOM 794 C SER A 50 -15.897 -15.322 1.012 1.00 0.00 C ATOM 795 O SER A 50 -16.659 -14.349 1.090 1.00 0.00 O ATOM 796 CB SER A 50 -13.664 -14.194 1.482 1.00 0.00 C ATOM 797 OG SER A 50 -13.256 -14.266 0.124 1.00 0.00 O ATOM 0 H SER A 50 -13.198 -16.603 0.893 1.00 0.00 H new ATOM 0 HA SER A 50 -14.887 -15.280 2.900 1.00 0.00 H new ATOM 0 HB2 SER A 50 -14.177 -13.249 1.660 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.786 -14.207 2.128 1.00 0.00 H new ATOM 0 HG SER A 50 -12.517 -14.904 0.038 1.00 0.00 H new ATOM 803 N GLY A 51 -16.113 -16.366 0.180 1.00 0.00 N ATOM 804 CA GLY A 51 -17.323 -16.504 -0.640 1.00 0.00 C ATOM 805 C GLY A 51 -17.197 -15.777 -1.973 1.00 0.00 C ATOM 806 O GLY A 51 -17.134 -16.411 -3.033 1.00 0.00 O ATOM 0 H GLY A 51 -15.450 -17.132 0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.519 -17.561 -0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.179 -16.110 -0.092 1.00 0.00 H new ATOM 810 N ALA A 52 -17.161 -14.437 -1.902 1.00 0.00 N ATOM 811 CA ALA A 52 -16.974 -13.558 -3.072 1.00 0.00 C ATOM 812 C ALA A 52 -16.451 -12.170 -2.631 1.00 0.00 C ATOM 813 O ALA A 52 -16.524 -11.196 -3.397 1.00 0.00 O ATOM 814 CB ALA A 52 -18.300 -13.440 -3.853 1.00 0.00 C ATOM 0 H ALA A 52 -17.262 -13.927 -1.024 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.225 -13.994 -3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -18.157 -12.790 -4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -18.613 -14.428 -4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -19.068 -13.018 -3.204 1.00 0.00 H new ATOM 820 N GLU A 53 -15.923 -12.087 -1.386 1.00 0.00 N ATOM 821 CA GLU A 53 -15.371 -10.837 -0.827 1.00 0.00 C ATOM 822 C GLU A 53 -13.952 -10.613 -1.391 1.00 0.00 C ATOM 823 O GLU A 53 -13.733 -9.683 -2.180 1.00 0.00 O ATOM 824 CB GLU A 53 -15.366 -10.895 0.725 1.00 0.00 C ATOM 825 CG GLU A 53 -14.905 -9.605 1.439 1.00 0.00 C ATOM 826 CD GLU A 53 -15.854 -8.415 1.219 1.00 0.00 C ATOM 827 OE1 GLU A 53 -16.893 -8.332 1.913 1.00 0.00 O ATOM 828 OE2 GLU A 53 -15.580 -7.566 0.343 1.00 0.00 O ATOM 0 H GLU A 53 -15.870 -12.881 -0.748 1.00 0.00 H new ATOM 0 HA GLU A 53 -15.997 -9.994 -1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -16.373 -11.137 1.065 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.718 -11.714 1.038 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.820 -9.800 2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.910 -9.337 1.084 1.00 0.00 H new ATOM 835 N LEU A 54 -13.009 -11.496 -0.999 1.00 0.00 N ATOM 836 CA LEU A 54 -11.645 -11.518 -1.560 1.00 0.00 C ATOM 837 C LEU A 54 -11.696 -12.100 -2.974 1.00 0.00 C ATOM 838 O LEU A 54 -12.568 -12.918 -3.281 1.00 0.00 O ATOM 839 CB LEU A 54 -10.680 -12.363 -0.678 1.00 0.00 C ATOM 840 CG LEU A 54 -10.428 -11.844 0.773 1.00 0.00 C ATOM 841 CD1 LEU A 54 -9.529 -12.820 1.572 1.00 0.00 C ATOM 842 CD2 LEU A 54 -9.846 -10.411 0.749 1.00 0.00 C ATOM 0 H LEU A 54 -13.172 -12.209 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.265 -10.497 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.076 -13.377 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.719 -12.428 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.387 -11.800 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.373 -12.430 2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -10.013 -13.795 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.567 -12.923 1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.678 -10.069 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.901 -10.411 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.549 -9.741 0.253 1.00 0.00 H new ATOM 854 N ALA A 55 -10.742 -11.691 -3.807 1.00 0.00 N ATOM 855 CA ALA A 55 -10.658 -12.105 -5.213 1.00 0.00 C ATOM 856 C ALA A 55 -9.305 -12.757 -5.482 1.00 0.00 C ATOM 857 O ALA A 55 -8.346 -12.549 -4.723 1.00 0.00 O ATOM 858 CB ALA A 55 -10.864 -10.885 -6.128 1.00 0.00 C ATOM 0 H ALA A 55 -9.995 -11.056 -3.526 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.441 -12.834 -5.423 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.801 -11.197 -7.170 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.845 -10.450 -5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.092 -10.143 -5.924 1.00 0.00 H new ATOM 864 N ILE A 56 -9.221 -13.547 -6.561 1.00 0.00 N ATOM 865 CA ILE A 56 -7.935 -14.087 -7.019 1.00 0.00 C ATOM 866 C ILE A 56 -7.153 -12.912 -7.654 1.00 0.00 C ATOM 867 O ILE A 56 -7.694 -12.198 -8.506 1.00 0.00 O ATOM 868 CB ILE A 56 -8.107 -15.258 -8.057 1.00 0.00 C ATOM 869 CG1 ILE A 56 -9.136 -16.318 -7.549 1.00 0.00 C ATOM 870 CG2 ILE A 56 -6.737 -15.920 -8.378 1.00 0.00 C ATOM 871 CD1 ILE A 56 -9.495 -17.399 -8.571 1.00 0.00 C ATOM 0 H ILE A 56 -10.022 -13.824 -7.129 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.399 -14.515 -6.172 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.500 -14.831 -8.980 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -8.732 -16.799 -6.658 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -10.049 -15.804 -7.248 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.882 -16.726 -9.097 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.063 -15.175 -8.799 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.305 -16.324 -7.463 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.214 -18.090 -8.132 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.932 -16.934 -9.455 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.595 -17.944 -8.855 1.00 0.00 H new ATOM 883 N GLY A 57 -5.896 -12.725 -7.240 1.00 0.00 N ATOM 884 CA GLY A 57 -5.150 -11.476 -7.493 1.00 0.00 C ATOM 885 C GLY A 57 -4.781 -10.759 -6.190 1.00 0.00 C ATOM 886 O GLY A 57 -4.010 -9.785 -6.198 1.00 0.00 O ATOM 0 H GLY A 57 -5.365 -13.426 -6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.243 -11.702 -8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.752 -10.813 -8.115 1.00 0.00 H new ATOM 890 N THR A 58 -5.349 -11.249 -5.072 1.00 0.00 N ATOM 891 CA THR A 58 -4.952 -10.852 -3.714 1.00 0.00 C ATOM 892 C THR A 58 -3.549 -11.437 -3.406 1.00 0.00 C ATOM 893 O THR A 58 -3.210 -12.536 -3.867 1.00 0.00 O ATOM 894 CB THR A 58 -6.037 -11.329 -2.675 1.00 0.00 C ATOM 895 OG1 THR A 58 -7.279 -10.645 -2.938 1.00 0.00 O ATOM 896 CG2 THR A 58 -5.627 -11.118 -1.201 1.00 0.00 C ATOM 0 H THR A 58 -6.102 -11.937 -5.089 1.00 0.00 H new ATOM 0 HA THR A 58 -4.890 -9.766 -3.638 1.00 0.00 H new ATOM 0 HB THR A 58 -6.146 -12.405 -2.808 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.815 -11.171 -3.568 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.425 -11.471 -0.547 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.714 -11.677 -0.994 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.452 -10.057 -1.020 1.00 0.00 H new ATOM 904 N VAL A 59 -2.720 -10.667 -2.688 1.00 0.00 N ATOM 905 CA VAL A 59 -1.333 -11.040 -2.361 1.00 0.00 C ATOM 906 C VAL A 59 -1.148 -11.051 -0.837 1.00 0.00 C ATOM 907 O VAL A 59 -1.537 -10.095 -0.159 1.00 0.00 O ATOM 908 CB VAL A 59 -0.304 -10.042 -3.009 1.00 0.00 C ATOM 909 CG1 VAL A 59 1.157 -10.527 -2.799 1.00 0.00 C ATOM 910 CG2 VAL A 59 -0.627 -9.815 -4.507 1.00 0.00 C ATOM 0 H VAL A 59 -2.994 -9.759 -2.313 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.144 -12.034 -2.766 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.397 -9.080 -2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.845 -9.817 -3.258 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.367 -10.598 -1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.285 -11.506 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.097 -9.122 -4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.577 -10.765 -5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.629 -9.398 -4.604 1.00 0.00 H new ATOM 920 N ARG A 60 -0.586 -12.146 -0.315 1.00 0.00 N ATOM 921 CA ARG A 60 -0.278 -12.296 1.117 1.00 0.00 C ATOM 922 C ARG A 60 1.236 -12.106 1.326 1.00 0.00 C ATOM 923 O ARG A 60 2.045 -12.796 0.700 1.00 0.00 O ATOM 924 CB ARG A 60 -0.741 -13.686 1.614 1.00 0.00 C ATOM 925 CG ARG A 60 -1.047 -13.766 3.118 1.00 0.00 C ATOM 926 CD ARG A 60 -1.591 -15.149 3.529 1.00 0.00 C ATOM 927 NE ARG A 60 -2.385 -15.074 4.768 1.00 0.00 N ATOM 928 CZ ARG A 60 -3.704 -15.300 4.843 1.00 0.00 C ATOM 929 NH1 ARG A 60 -4.356 -15.831 3.818 1.00 0.00 N ATOM 930 NH2 ARG A 60 -4.350 -15.041 5.963 1.00 0.00 N ATOM 0 H ARG A 60 -0.329 -12.959 -0.874 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.810 -11.541 1.695 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.634 -13.975 1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.032 -14.417 1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.140 -13.552 3.683 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.775 -12.998 3.380 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.207 -15.552 2.725 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.760 -15.840 3.670 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.896 -14.833 5.630 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.854 -16.071 2.963 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.360 -15.999 3.884 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.846 -14.670 6.768 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.354 -15.212 6.024 1.00 0.00 H new ATOM 944 N ILE A 61 1.595 -11.189 2.232 1.00 0.00 N ATOM 945 CA ILE A 61 2.972 -10.681 2.388 1.00 0.00 C ATOM 946 C ILE A 61 3.363 -10.766 3.863 1.00 0.00 C ATOM 947 O ILE A 61 2.887 -9.992 4.683 1.00 0.00 O ATOM 948 CB ILE A 61 3.056 -9.194 1.869 1.00 0.00 C ATOM 949 CG1 ILE A 61 2.583 -9.115 0.377 1.00 0.00 C ATOM 950 CG2 ILE A 61 4.482 -8.606 2.047 1.00 0.00 C ATOM 951 CD1 ILE A 61 2.090 -7.756 -0.058 1.00 0.00 C ATOM 0 H ILE A 61 0.934 -10.771 2.887 1.00 0.00 H new ATOM 0 HA ILE A 61 3.664 -11.283 1.800 1.00 0.00 H new ATOM 0 HB ILE A 61 2.386 -8.583 2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.411 -9.410 -0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.785 -9.842 0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.501 -7.580 1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.751 -8.617 3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.196 -9.207 1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.784 -7.797 -1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.239 -7.463 0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.890 -7.025 0.057 1.00 0.00 H new ATOM 963 N TRP A 62 4.226 -11.722 4.191 1.00 0.00 N ATOM 964 CA TRP A 62 4.595 -12.019 5.582 1.00 0.00 C ATOM 965 C TRP A 62 5.902 -11.311 5.892 1.00 0.00 C ATOM 966 O TRP A 62 6.934 -11.687 5.372 1.00 0.00 O ATOM 967 CB TRP A 62 4.748 -13.563 5.772 1.00 0.00 C ATOM 968 CG TRP A 62 3.511 -14.365 5.406 1.00 0.00 C ATOM 969 CD1 TRP A 62 2.872 -14.384 4.201 1.00 0.00 C ATOM 970 CD2 TRP A 62 2.792 -15.280 6.240 1.00 0.00 C ATOM 971 NE1 TRP A 62 1.785 -15.199 4.254 1.00 0.00 N ATOM 972 CE2 TRP A 62 1.717 -15.773 5.486 1.00 0.00 C ATOM 973 CE3 TRP A 62 2.942 -15.709 7.561 1.00 0.00 C ATOM 974 CZ2 TRP A 62 0.804 -16.681 6.004 1.00 0.00 C ATOM 975 CZ3 TRP A 62 2.043 -16.622 8.072 1.00 0.00 C ATOM 976 CH2 TRP A 62 0.978 -17.093 7.297 1.00 0.00 C ATOM 0 H TRP A 62 4.692 -12.316 3.505 1.00 0.00 H new ATOM 0 HA TRP A 62 3.819 -11.669 6.263 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.584 -13.911 5.165 1.00 0.00 H new ATOM 0 HB3 TRP A 62 5.003 -13.765 6.812 1.00 0.00 H new ATOM 0 HD1 TRP A 62 3.185 -13.830 3.328 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.126 -15.355 3.492 1.00 0.00 H new ATOM 0 HE3 TRP A 62 3.749 -15.332 8.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.016 -17.050 5.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 2.163 -16.978 9.085 1.00 0.00 H new ATOM 0 HH2 TRP A 62 0.280 -17.795 7.728 1.00 0.00 H new ATOM 987 N ILE A 63 5.850 -10.308 6.766 1.00 0.00 N ATOM 988 CA ILE A 63 7.015 -9.475 7.109 1.00 0.00 C ATOM 989 C ILE A 63 7.243 -9.571 8.614 1.00 0.00 C ATOM 990 O ILE A 63 6.312 -9.898 9.354 1.00 0.00 O ATOM 991 CB ILE A 63 6.832 -7.971 6.671 1.00 0.00 C ATOM 992 CG1 ILE A 63 5.680 -7.273 7.441 1.00 0.00 C ATOM 993 CG2 ILE A 63 6.588 -7.867 5.153 1.00 0.00 C ATOM 994 CD1 ILE A 63 5.578 -5.773 7.214 1.00 0.00 C ATOM 0 H ILE A 63 4.998 -10.044 7.261 1.00 0.00 H new ATOM 0 HA ILE A 63 7.882 -9.847 6.564 1.00 0.00 H new ATOM 0 HB ILE A 63 7.759 -7.455 6.920 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.736 -7.735 7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.811 -7.457 8.507 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.465 -6.820 4.875 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.440 -8.287 4.618 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.686 -8.421 4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.745 -5.373 7.792 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.504 -5.293 7.532 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.412 -5.576 6.155 1.00 0.00 H new ATOM 1006 N ARG A 64 8.492 -9.366 9.064 1.00 0.00 N ATOM 1007 CA ARG A 64 8.803 -9.276 10.501 1.00 0.00 C ATOM 1008 C ARG A 64 7.968 -8.168 11.192 1.00 0.00 C ATOM 1009 O ARG A 64 7.548 -7.196 10.547 1.00 0.00 O ATOM 1010 CB ARG A 64 10.321 -9.042 10.730 1.00 0.00 C ATOM 1011 CG ARG A 64 10.860 -7.691 10.208 1.00 0.00 C ATOM 1012 CD ARG A 64 12.323 -7.432 10.602 1.00 0.00 C ATOM 1013 NE ARG A 64 12.519 -7.392 12.070 1.00 0.00 N ATOM 1014 CZ ARG A 64 13.312 -6.523 12.732 1.00 0.00 C ATOM 1015 NH1 ARG A 64 13.952 -5.550 12.090 1.00 0.00 N ATOM 1016 NH2 ARG A 64 13.443 -6.628 14.050 1.00 0.00 N ATOM 0 H ARG A 64 9.303 -9.259 8.454 1.00 0.00 H new ATOM 0 HA ARG A 64 8.533 -10.230 10.954 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.527 -9.110 11.798 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.874 -9.848 10.247 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.773 -7.667 9.122 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.238 -6.884 10.595 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.954 -8.212 10.176 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.650 -6.486 10.170 1.00 0.00 H new ATOM 0 HE ARG A 64 12.012 -8.079 12.628 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.848 -5.451 11.080 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.547 -4.903 12.607 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.946 -7.362 14.555 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.041 -5.975 14.557 1.00 0.00 H new ATOM 1030 N TYR A 65 7.744 -8.335 12.508 1.00 0.00 N ATOM 1031 CA TYR A 65 6.881 -7.443 13.303 1.00 0.00 C ATOM 1032 C TYR A 65 7.469 -6.026 13.337 1.00 0.00 C ATOM 1033 O TYR A 65 8.679 -5.860 13.542 1.00 0.00 O ATOM 1034 CB TYR A 65 6.713 -8.010 14.738 1.00 0.00 C ATOM 1035 CG TYR A 65 5.691 -7.254 15.603 1.00 0.00 C ATOM 1036 CD1 TYR A 65 4.332 -7.581 15.571 1.00 0.00 C ATOM 1037 CD2 TYR A 65 6.087 -6.214 16.449 1.00 0.00 C ATOM 1038 CE1 TYR A 65 3.413 -6.900 16.344 1.00 0.00 C ATOM 1039 CE2 TYR A 65 5.170 -5.534 17.221 1.00 0.00 C ATOM 1040 CZ TYR A 65 3.838 -5.876 17.168 1.00 0.00 C ATOM 1041 OH TYR A 65 2.929 -5.194 17.947 1.00 0.00 O ATOM 0 H TYR A 65 8.157 -9.093 13.051 1.00 0.00 H new ATOM 0 HA TYR A 65 5.897 -7.389 12.837 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.411 -9.055 14.670 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.681 -7.990 15.239 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.995 -8.382 14.929 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.130 -5.939 16.498 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.367 -7.166 16.305 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.497 -4.733 17.867 1.00 0.00 H new ATOM 0 HH TYR A 65 3.252 -5.159 18.872 1.00 0.00 H new ATOM 1051 N ARG A 66 6.606 -5.022 13.118 1.00 0.00 N ATOM 1052 CA ARG A 66 7.025 -3.619 13.046 1.00 0.00 C ATOM 1053 C ARG A 66 5.819 -2.690 13.322 1.00 0.00 C ATOM 1054 O ARG A 66 4.725 -2.906 12.789 1.00 0.00 O ATOM 1055 CB ARG A 66 7.668 -3.338 11.658 1.00 0.00 C ATOM 1056 CG ARG A 66 8.419 -1.999 11.562 1.00 0.00 C ATOM 1057 CD ARG A 66 9.182 -1.844 10.237 1.00 0.00 C ATOM 1058 NE ARG A 66 10.018 -0.637 10.254 1.00 0.00 N ATOM 1059 CZ ARG A 66 9.931 0.374 9.392 1.00 0.00 C ATOM 1060 NH1 ARG A 66 9.145 0.299 8.322 1.00 0.00 N ATOM 1061 NH2 ARG A 66 10.662 1.450 9.592 1.00 0.00 N ATOM 0 H ARG A 66 5.604 -5.161 12.987 1.00 0.00 H new ATOM 0 HA ARG A 66 7.775 -3.417 13.811 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.360 -4.146 11.422 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.886 -3.357 10.899 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.708 -1.179 11.666 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.120 -1.919 12.393 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.806 -2.721 10.067 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.475 -1.790 9.409 1.00 0.00 H new ATOM 0 HE ARG A 66 10.724 -0.567 10.987 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.596 -0.543 8.151 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.091 1.084 7.673 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.284 1.501 10.399 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.606 2.233 8.940 1.00 0.00 H new ATOM 1075 N LYS A 67 6.048 -1.645 14.142 1.00 0.00 N ATOM 1076 CA LYS A 67 4.981 -0.745 14.649 1.00 0.00 C ATOM 1077 C LYS A 67 4.620 0.369 13.642 1.00 0.00 C ATOM 1078 O LYS A 67 3.674 1.134 13.864 1.00 0.00 O ATOM 1079 CB LYS A 67 5.436 -0.108 15.993 1.00 0.00 C ATOM 1080 CG LYS A 67 5.811 -1.130 17.093 1.00 0.00 C ATOM 1081 CD LYS A 67 4.645 -2.087 17.462 1.00 0.00 C ATOM 1082 CE LYS A 67 3.428 -1.371 18.065 1.00 0.00 C ATOM 1083 NZ LYS A 67 2.313 -2.315 18.336 1.00 0.00 N ATOM 0 H LYS A 67 6.980 -1.397 14.475 1.00 0.00 H new ATOM 0 HA LYS A 67 4.086 -1.349 14.798 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.296 0.534 15.803 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.636 0.532 16.366 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.664 -1.720 16.757 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.128 -0.592 17.987 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.332 -2.626 16.568 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.007 -2.830 18.172 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.719 -0.876 18.992 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.088 -0.593 17.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.522 -2.111 17.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.640 -3.291 18.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.996 -2.205 19.320 1.00 0.00 H new ATOM 1097 N ASP A 68 5.373 0.436 12.537 1.00 0.00 N ATOM 1098 CA ASP A 68 5.279 1.522 11.544 1.00 0.00 C ATOM 1099 C ASP A 68 4.318 1.151 10.404 1.00 0.00 C ATOM 1100 O ASP A 68 3.843 2.025 9.676 1.00 0.00 O ATOM 1101 CB ASP A 68 6.683 1.803 10.959 1.00 0.00 C ATOM 1102 CG ASP A 68 7.705 2.239 12.020 1.00 0.00 C ATOM 1103 OD1 ASP A 68 8.180 1.374 12.787 1.00 0.00 O ATOM 1104 OD2 ASP A 68 8.028 3.445 12.106 1.00 0.00 O ATOM 0 H ASP A 68 6.073 -0.268 12.302 1.00 0.00 H new ATOM 0 HA ASP A 68 4.893 2.411 12.043 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.048 0.905 10.460 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.604 2.580 10.199 1.00 0.00 H new ATOM 1109 N ILE A 69 4.055 -0.158 10.247 1.00 0.00 N ATOM 1110 CA ILE A 69 3.286 -0.690 9.106 1.00 0.00 C ATOM 1111 C ILE A 69 1.807 -0.272 9.218 1.00 0.00 C ATOM 1112 O ILE A 69 1.144 -0.584 10.214 1.00 0.00 O ATOM 1113 CB ILE A 69 3.400 -2.256 8.992 1.00 0.00 C ATOM 1114 CG1 ILE A 69 4.888 -2.713 9.143 1.00 0.00 C ATOM 1115 CG2 ILE A 69 2.786 -2.748 7.653 1.00 0.00 C ATOM 1116 CD1 ILE A 69 5.862 -2.103 8.146 1.00 0.00 C ATOM 0 H ILE A 69 4.367 -0.874 10.903 1.00 0.00 H new ATOM 0 HA ILE A 69 3.715 -0.265 8.199 1.00 0.00 H new ATOM 0 HB ILE A 69 2.833 -2.709 9.805 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.225 -2.469 10.150 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.929 -3.798 9.048 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.873 -3.833 7.590 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.734 -2.465 7.609 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.319 -2.292 6.819 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.865 -2.485 8.337 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.559 -2.368 7.133 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.860 -1.018 8.253 1.00 0.00 H new ATOM 1128 N ASN A 70 1.313 0.436 8.192 1.00 0.00 N ATOM 1129 CA ASN A 70 -0.026 1.054 8.191 1.00 0.00 C ATOM 1130 C ASN A 70 -0.713 0.793 6.842 1.00 0.00 C ATOM 1131 O ASN A 70 -0.045 0.455 5.862 1.00 0.00 O ATOM 1132 CB ASN A 70 0.108 2.579 8.451 1.00 0.00 C ATOM 1133 CG ASN A 70 -1.220 3.260 8.800 1.00 0.00 C ATOM 1134 OD1 ASN A 70 -1.926 3.755 7.922 1.00 0.00 O ATOM 1135 ND2 ASN A 70 -1.578 3.265 10.078 1.00 0.00 N ATOM 0 H ASN A 70 1.834 0.599 7.331 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.635 0.616 8.982 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.814 2.740 9.265 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.529 3.055 7.565 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.463 3.688 10.358 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.968 2.846 10.780 1.00 0.00 H new ATOM 1142 N ALA A 71 -2.045 0.963 6.805 1.00 0.00 N ATOM 1143 CA ALA A 71 -2.860 0.766 5.596 1.00 0.00 C ATOM 1144 C ALA A 71 -2.505 1.770 4.480 1.00 0.00 C ATOM 1145 O ALA A 71 -2.682 1.469 3.298 1.00 0.00 O ATOM 1146 CB ALA A 71 -4.349 0.854 5.947 1.00 0.00 C ATOM 0 H ALA A 71 -2.590 1.243 7.620 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.638 -0.229 5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.945 0.707 5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.597 0.083 6.676 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.566 1.835 6.369 1.00 0.00 H new ATOM 1152 N THR A 72 -2.004 2.951 4.880 1.00 0.00 N ATOM 1153 CA THR A 72 -1.566 4.004 3.940 1.00 0.00 C ATOM 1154 C THR A 72 -0.226 3.646 3.263 1.00 0.00 C ATOM 1155 O THR A 72 0.132 4.227 2.241 1.00 0.00 O ATOM 1156 CB THR A 72 -1.418 5.385 4.672 1.00 0.00 C ATOM 1157 OG1 THR A 72 -0.504 5.250 5.776 1.00 0.00 O ATOM 1158 CG2 THR A 72 -2.762 5.928 5.189 1.00 0.00 C ATOM 0 H THR A 72 -1.890 3.205 5.861 1.00 0.00 H new ATOM 0 HA THR A 72 -2.336 4.079 3.173 1.00 0.00 H new ATOM 0 HB THR A 72 -1.036 6.098 3.941 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.951 4.790 6.517 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.601 6.884 5.686 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.445 6.065 4.351 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.193 5.219 5.896 1.00 0.00 H new ATOM 1166 N SER A 73 0.501 2.687 3.856 1.00 0.00 N ATOM 1167 CA SER A 73 1.851 2.308 3.439 1.00 0.00 C ATOM 1168 C SER A 73 1.793 1.081 2.513 1.00 0.00 C ATOM 1169 O SER A 73 1.529 -0.029 2.972 1.00 0.00 O ATOM 1170 CB SER A 73 2.679 2.008 4.704 1.00 0.00 C ATOM 1171 OG SER A 73 2.596 3.073 5.643 1.00 0.00 O ATOM 0 H SER A 73 0.158 2.147 4.651 1.00 0.00 H new ATOM 0 HA SER A 73 2.319 3.119 2.882 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.322 1.087 5.164 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.721 1.844 4.428 1.00 0.00 H new ATOM 0 HG SER A 73 3.130 2.853 6.435 1.00 0.00 H new ATOM 1177 N ARG A 74 1.993 1.301 1.203 1.00 0.00 N ATOM 1178 CA ARG A 74 1.974 0.218 0.200 1.00 0.00 C ATOM 1179 C ARG A 74 3.238 -0.666 0.299 1.00 0.00 C ATOM 1180 O ARG A 74 4.241 -0.275 0.904 1.00 0.00 O ATOM 1181 CB ARG A 74 1.836 0.807 -1.227 1.00 0.00 C ATOM 1182 CG ARG A 74 0.535 1.586 -1.489 1.00 0.00 C ATOM 1183 CD ARG A 74 0.504 2.231 -2.884 1.00 0.00 C ATOM 1184 NE ARG A 74 0.553 1.241 -3.976 1.00 0.00 N ATOM 1185 CZ ARG A 74 0.876 1.520 -5.251 1.00 0.00 C ATOM 1186 NH1 ARG A 74 1.381 2.702 -5.579 1.00 0.00 N ATOM 1187 NH2 ARG A 74 0.741 0.587 -6.181 1.00 0.00 N ATOM 0 H ARG A 74 2.171 2.225 0.810 1.00 0.00 H new ATOM 0 HA ARG A 74 1.110 -0.413 0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.681 1.469 -1.413 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.905 -0.008 -1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.315 0.912 -1.385 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.421 2.361 -0.731 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.403 2.828 -2.982 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.348 2.914 -2.982 1.00 0.00 H new ATOM 0 HE ARG A 74 0.325 0.273 -3.747 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.528 3.411 -4.860 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.622 2.902 -6.550 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.393 -0.338 -5.929 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.985 0.794 -7.150 1.00 0.00 H new ATOM 1201 N ILE A 75 3.167 -1.866 -0.293 1.00 0.00 N ATOM 1202 CA ILE A 75 4.264 -2.845 -0.287 1.00 0.00 C ATOM 1203 C ILE A 75 4.932 -2.905 -1.677 1.00 0.00 C ATOM 1204 O ILE A 75 4.377 -3.491 -2.600 1.00 0.00 O ATOM 1205 CB ILE A 75 3.712 -4.268 0.104 1.00 0.00 C ATOM 1206 CG1 ILE A 75 3.030 -4.258 1.512 1.00 0.00 C ATOM 1207 CG2 ILE A 75 4.825 -5.333 0.025 1.00 0.00 C ATOM 1208 CD1 ILE A 75 3.954 -3.944 2.676 1.00 0.00 C ATOM 0 H ILE A 75 2.339 -2.188 -0.794 1.00 0.00 H new ATOM 0 HA ILE A 75 5.007 -2.536 0.448 1.00 0.00 H new ATOM 0 HB ILE A 75 2.943 -4.533 -0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.223 -3.526 1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.574 -5.233 1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.418 -6.306 0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.215 -5.377 -0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.630 -5.070 0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.386 -3.961 3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.748 -4.689 2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.392 -2.956 2.537 1.00 0.00 H new ATOM 1220 N LYS A 76 6.111 -2.284 -1.830 1.00 0.00 N ATOM 1221 CA LYS A 76 6.886 -2.353 -3.087 1.00 0.00 C ATOM 1222 C LYS A 76 7.945 -3.447 -2.957 1.00 0.00 C ATOM 1223 O LYS A 76 8.875 -3.310 -2.168 1.00 0.00 O ATOM 1224 CB LYS A 76 7.537 -0.984 -3.423 1.00 0.00 C ATOM 1225 CG LYS A 76 8.355 -0.983 -4.737 1.00 0.00 C ATOM 1226 CD LYS A 76 8.711 0.442 -5.216 1.00 0.00 C ATOM 1227 CE LYS A 76 9.532 1.248 -4.204 1.00 0.00 C ATOM 1228 NZ LYS A 76 10.889 0.673 -4.002 1.00 0.00 N ATOM 0 H LYS A 76 6.553 -1.726 -1.099 1.00 0.00 H new ATOM 0 HA LYS A 76 6.213 -2.596 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.755 -0.228 -3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.190 -0.692 -2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.273 -1.552 -4.589 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.786 -1.492 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.269 0.372 -6.150 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.790 0.982 -5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.623 2.278 -4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.005 1.277 -3.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.410 1.248 -3.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.804 -0.301 -3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.403 0.669 -4.906 1.00 0.00 H new ATOM 1242 N VAL A 77 7.795 -4.525 -3.731 1.00 0.00 N ATOM 1243 CA VAL A 77 8.641 -5.729 -3.595 1.00 0.00 C ATOM 1244 C VAL A 77 10.072 -5.480 -4.117 1.00 0.00 C ATOM 1245 O VAL A 77 10.259 -5.127 -5.284 1.00 0.00 O ATOM 1246 CB VAL A 77 8.004 -6.960 -4.329 1.00 0.00 C ATOM 1247 CG1 VAL A 77 8.804 -8.260 -4.092 1.00 0.00 C ATOM 1248 CG2 VAL A 77 6.539 -7.145 -3.918 1.00 0.00 C ATOM 0 H VAL A 77 7.091 -4.595 -4.466 1.00 0.00 H new ATOM 0 HA VAL A 77 8.702 -5.956 -2.531 1.00 0.00 H new ATOM 0 HB VAL A 77 8.042 -6.747 -5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.324 -9.084 -4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.821 -8.134 -4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.832 -8.480 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.120 -8.005 -4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.481 -7.311 -2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.972 -6.251 -4.178 1.00 0.00 H new ATOM 1258 N SER A 78 11.059 -5.630 -3.213 1.00 0.00 N ATOM 1259 CA SER A 78 12.496 -5.507 -3.539 1.00 0.00 C ATOM 1260 C SER A 78 13.039 -6.768 -4.241 1.00 0.00 C ATOM 1261 O SER A 78 14.016 -6.690 -4.994 1.00 0.00 O ATOM 1262 CB SER A 78 13.295 -5.224 -2.251 1.00 0.00 C ATOM 1263 OG SER A 78 12.828 -4.045 -1.617 1.00 0.00 O ATOM 0 H SER A 78 10.883 -5.841 -2.231 1.00 0.00 H new ATOM 0 HA SER A 78 12.614 -4.676 -4.235 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.205 -6.069 -1.569 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.353 -5.119 -2.490 1.00 0.00 H new ATOM 0 HG SER A 78 12.995 -3.273 -2.197 1.00 0.00 H new ATOM 1269 N THR A 79 12.388 -7.914 -3.987 1.00 0.00 N ATOM 1270 CA THR A 79 12.776 -9.214 -4.557 1.00 0.00 C ATOM 1271 C THR A 79 11.661 -10.239 -4.296 1.00 0.00 C ATOM 1272 O THR A 79 11.094 -10.275 -3.197 1.00 0.00 O ATOM 1273 CB THR A 79 14.155 -9.725 -3.999 1.00 0.00 C ATOM 1274 OG1 THR A 79 14.536 -10.953 -4.646 1.00 0.00 O ATOM 1275 CG2 THR A 79 14.147 -9.921 -2.471 1.00 0.00 C ATOM 0 H THR A 79 11.572 -7.965 -3.377 1.00 0.00 H new ATOM 0 HA THR A 79 12.908 -9.086 -5.631 1.00 0.00 H new ATOM 0 HB THR A 79 14.886 -8.948 -4.221 1.00 0.00 H new ATOM 0 HG1 THR A 79 15.397 -11.257 -4.289 1.00 0.00 H new ATOM 0 HG21 THR A 79 15.125 -10.274 -2.144 1.00 0.00 H new ATOM 0 HG22 THR A 79 13.923 -8.972 -1.984 1.00 0.00 H new ATOM 0 HG23 THR A 79 13.388 -10.655 -2.202 1.00 0.00 H new ATOM 1283 N GLY A 80 11.319 -11.026 -5.327 1.00 0.00 N ATOM 1284 CA GLY A 80 10.233 -12.010 -5.253 1.00 0.00 C ATOM 1285 C GLY A 80 9.500 -12.159 -6.578 1.00 0.00 C ATOM 1286 O GLY A 80 9.990 -11.671 -7.608 1.00 0.00 O ATOM 0 H GLY A 80 11.787 -10.997 -6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.640 -12.976 -4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.525 -11.710 -4.480 1.00 0.00 H new ATOM 1290 N PRO A 81 8.285 -12.791 -6.592 1.00 0.00 N ATOM 1291 CA PRO A 81 7.514 -13.040 -7.838 1.00 0.00 C ATOM 1292 C PRO A 81 6.823 -11.766 -8.373 1.00 0.00 C ATOM 1293 O PRO A 81 6.230 -11.783 -9.454 1.00 0.00 O ATOM 1294 CB PRO A 81 6.478 -14.100 -7.392 1.00 0.00 C ATOM 1295 CG PRO A 81 6.214 -13.761 -5.953 1.00 0.00 C ATOM 1296 CD PRO A 81 7.551 -13.295 -5.393 1.00 0.00 C ATOM 0 HA PRO A 81 8.147 -13.365 -8.664 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.568 -14.045 -7.989 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.869 -15.112 -7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.458 -12.980 -5.866 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.841 -14.628 -5.408 1.00 0.00 H new ATOM 0 HD2 PRO A 81 7.420 -12.512 -4.646 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.088 -14.111 -4.909 1.00 0.00 H new ATOM 1304 N LEU A 82 6.896 -10.672 -7.587 1.00 0.00 N ATOM 1305 CA LEU A 82 6.275 -9.376 -7.911 1.00 0.00 C ATOM 1306 C LEU A 82 7.307 -8.239 -7.745 1.00 0.00 C ATOM 1307 O LEU A 82 6.931 -7.090 -7.501 1.00 0.00 O ATOM 1308 CB LEU A 82 5.041 -9.157 -6.983 1.00 0.00 C ATOM 1309 CG LEU A 82 3.914 -10.237 -7.076 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.844 -10.026 -5.995 1.00 0.00 C ATOM 1311 CD2 LEU A 82 3.286 -10.275 -8.489 1.00 0.00 C ATOM 0 H LEU A 82 7.395 -10.667 -6.698 1.00 0.00 H new ATOM 0 HA LEU A 82 5.939 -9.372 -8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.390 -9.113 -5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.605 -8.185 -7.214 1.00 0.00 H new ATOM 0 HG LEU A 82 4.376 -11.208 -6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.076 -10.794 -6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.305 -10.092 -5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.391 -9.042 -6.119 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.506 -11.036 -8.520 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.853 -9.302 -8.721 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.056 -10.514 -9.223 1.00 0.00 H new ATOM 1323 N ALA A 83 8.613 -8.577 -7.910 1.00 0.00 N ATOM 1324 CA ALA A 83 9.740 -7.631 -7.708 1.00 0.00 C ATOM 1325 C ALA A 83 9.664 -6.440 -8.689 1.00 0.00 C ATOM 1326 O ALA A 83 9.916 -6.600 -9.891 1.00 0.00 O ATOM 1327 CB ALA A 83 11.083 -8.366 -7.836 1.00 0.00 C ATOM 0 H ALA A 83 8.913 -9.512 -8.186 1.00 0.00 H new ATOM 0 HA ALA A 83 9.662 -7.224 -6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.900 -7.660 -7.686 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.140 -9.153 -7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.163 -8.807 -8.829 1.00 0.00 H new ATOM 1333 N GLY A 84 9.271 -5.268 -8.158 1.00 0.00 N ATOM 1334 CA GLY A 84 9.046 -4.056 -8.956 1.00 0.00 C ATOM 1335 C GLY A 84 7.633 -3.527 -8.772 1.00 0.00 C ATOM 1336 O GLY A 84 7.420 -2.316 -8.662 1.00 0.00 O ATOM 0 H GLY A 84 9.101 -5.138 -7.161 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.764 -3.289 -8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.220 -4.274 -10.010 1.00 0.00 H new ATOM 1340 N ARG A 85 6.667 -4.459 -8.716 1.00 0.00 N ATOM 1341 CA ARG A 85 5.240 -4.142 -8.531 1.00 0.00 C ATOM 1342 C ARG A 85 4.961 -3.768 -7.068 1.00 0.00 C ATOM 1343 O ARG A 85 5.511 -4.378 -6.132 1.00 0.00 O ATOM 1344 CB ARG A 85 4.348 -5.337 -8.960 1.00 0.00 C ATOM 1345 CG ARG A 85 4.498 -5.719 -10.448 1.00 0.00 C ATOM 1346 CD ARG A 85 3.635 -6.928 -10.840 1.00 0.00 C ATOM 1347 NE ARG A 85 3.814 -7.295 -12.262 1.00 0.00 N ATOM 1348 CZ ARG A 85 3.334 -8.404 -12.843 1.00 0.00 C ATOM 1349 NH1 ARG A 85 2.606 -9.278 -12.160 1.00 0.00 N ATOM 1350 NH2 ARG A 85 3.577 -8.630 -14.125 1.00 0.00 N ATOM 0 H ARG A 85 6.854 -5.458 -8.798 1.00 0.00 H new ATOM 0 HA ARG A 85 4.996 -3.289 -9.164 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.595 -6.202 -8.345 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.305 -5.091 -8.760 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.223 -4.865 -11.067 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.544 -5.941 -10.658 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.894 -7.779 -10.210 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.585 -6.701 -10.653 1.00 0.00 H new ATOM 0 HE ARG A 85 4.346 -6.652 -12.848 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.402 -9.112 -11.174 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.250 -10.116 -12.621 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.127 -7.962 -14.665 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.214 -9.472 -14.572 1.00 0.00 H new ATOM 1364 N VAL A 86 4.114 -2.744 -6.890 1.00 0.00 N ATOM 1365 CA VAL A 86 3.731 -2.226 -5.576 1.00 0.00 C ATOM 1366 C VAL A 86 2.283 -2.654 -5.259 1.00 0.00 C ATOM 1367 O VAL A 86 1.326 -2.207 -5.916 1.00 0.00 O ATOM 1368 CB VAL A 86 3.852 -0.660 -5.499 1.00 0.00 C ATOM 1369 CG1 VAL A 86 3.792 -0.174 -4.033 1.00 0.00 C ATOM 1370 CG2 VAL A 86 5.114 -0.143 -6.219 1.00 0.00 C ATOM 0 H VAL A 86 3.673 -2.249 -7.665 1.00 0.00 H new ATOM 0 HA VAL A 86 4.418 -2.643 -4.839 1.00 0.00 H new ATOM 0 HB VAL A 86 2.996 -0.238 -6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.878 0.912 -4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.843 -0.474 -3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.613 -0.617 -3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.158 0.943 -6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.000 -0.576 -5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.077 -0.430 -7.270 1.00 0.00 H new ATOM 1380 N LEU A 87 2.154 -3.553 -4.282 1.00 0.00 N ATOM 1381 CA LEU A 87 0.861 -4.022 -3.766 1.00 0.00 C ATOM 1382 C LEU A 87 0.213 -2.941 -2.882 1.00 0.00 C ATOM 1383 O LEU A 87 0.902 -2.137 -2.254 1.00 0.00 O ATOM 1384 CB LEU A 87 1.015 -5.345 -2.956 1.00 0.00 C ATOM 1385 CG LEU A 87 1.705 -6.558 -3.671 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.229 -6.727 -5.119 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.233 -6.477 -3.598 1.00 0.00 C ATOM 0 H LEU A 87 2.954 -3.984 -3.819 1.00 0.00 H new ATOM 0 HA LEU A 87 0.217 -4.221 -4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.581 -5.121 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.022 -5.663 -2.639 1.00 0.00 H new ATOM 0 HG LEU A 87 1.398 -7.449 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.735 -7.580 -5.571 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.152 -6.896 -5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.460 -5.825 -5.686 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.668 -7.338 -4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.572 -5.561 -4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.548 -6.475 -2.554 1.00 0.00 H new ATOM 1399 N ASN A 88 -1.119 -2.946 -2.850 1.00 0.00 N ATOM 1400 CA ASN A 88 -1.937 -1.999 -2.070 1.00 0.00 C ATOM 1401 C ASN A 88 -2.672 -2.779 -0.975 1.00 0.00 C ATOM 1402 O ASN A 88 -3.245 -3.831 -1.264 1.00 0.00 O ATOM 1403 CB ASN A 88 -2.944 -1.294 -3.020 1.00 0.00 C ATOM 1404 CG ASN A 88 -2.248 -0.384 -4.034 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -1.601 -0.857 -4.963 1.00 0.00 O ATOM 1406 ND2 ASN A 88 -2.358 0.927 -3.869 1.00 0.00 N ATOM 0 H ASN A 88 -1.678 -3.620 -3.374 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.311 -1.237 -1.605 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.527 -2.047 -3.551 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.646 -0.706 -2.429 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.900 1.563 -4.521 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.901 1.299 -3.090 1.00 0.00 H new ATOM 1413 N ILE A 89 -2.698 -2.251 0.260 1.00 0.00 N ATOM 1414 CA ILE A 89 -3.238 -2.988 1.427 1.00 0.00 C ATOM 1415 C ILE A 89 -4.767 -2.849 1.464 1.00 0.00 C ATOM 1416 O ILE A 89 -5.293 -1.729 1.502 1.00 0.00 O ATOM 1417 CB ILE A 89 -2.639 -2.478 2.791 1.00 0.00 C ATOM 1418 CG1 ILE A 89 -1.084 -2.629 2.811 1.00 0.00 C ATOM 1419 CG2 ILE A 89 -3.287 -3.209 4.003 1.00 0.00 C ATOM 1420 CD1 ILE A 89 -0.423 -2.154 4.097 1.00 0.00 C ATOM 0 H ILE A 89 -2.353 -1.317 0.481 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.951 -4.033 1.309 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.876 -1.418 2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.831 -3.677 2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.666 -2.070 1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.852 -2.834 4.929 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.361 -3.025 4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.102 -4.280 3.923 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.655 -2.295 4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.642 -1.097 4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.809 -2.729 4.938 1.00 0.00 H new ATOM 1432 N ILE A 90 -5.462 -3.996 1.413 1.00 0.00 N ATOM 1433 CA ILE A 90 -6.933 -4.059 1.556 1.00 0.00 C ATOM 1434 C ILE A 90 -7.296 -3.925 3.052 1.00 0.00 C ATOM 1435 O ILE A 90 -6.846 -4.725 3.880 1.00 0.00 O ATOM 1436 CB ILE A 90 -7.591 -5.382 0.928 1.00 0.00 C ATOM 1437 CG1 ILE A 90 -6.545 -6.530 0.730 1.00 0.00 C ATOM 1438 CG2 ILE A 90 -8.338 -5.072 -0.395 1.00 0.00 C ATOM 1439 CD1 ILE A 90 -7.112 -7.854 0.236 1.00 0.00 C ATOM 0 H ILE A 90 -5.025 -4.907 1.272 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.350 -3.231 0.983 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.324 -5.739 1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.789 -6.191 0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.037 -6.703 1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.771 -5.990 -0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.132 -4.350 -0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.637 -4.658 -1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.305 -8.579 0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.845 -8.226 0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.593 -7.706 -0.731 1.00 0.00 H new ATOM 1451 N GLY A 91 -8.097 -2.891 3.366 1.00 0.00 N ATOM 1452 CA GLY A 91 -8.498 -2.562 4.733 1.00 0.00 C ATOM 1453 C GLY A 91 -7.346 -2.000 5.568 1.00 0.00 C ATOM 1454 O GLY A 91 -7.129 -0.784 5.601 1.00 0.00 O ATOM 0 H GLY A 91 -8.484 -2.258 2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.309 -1.834 4.704 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.890 -3.456 5.217 1.00 0.00 H new ATOM 1458 N GLN A 92 -6.588 -2.911 6.200 1.00 0.00 N ATOM 1459 CA GLN A 92 -5.482 -2.593 7.126 1.00 0.00 C ATOM 1460 C GLN A 92 -4.648 -3.873 7.371 1.00 0.00 C ATOM 1461 O GLN A 92 -5.205 -4.973 7.302 1.00 0.00 O ATOM 1462 CB GLN A 92 -6.032 -2.030 8.474 1.00 0.00 C ATOM 1463 CG GLN A 92 -7.097 -2.919 9.151 1.00 0.00 C ATOM 1464 CD GLN A 92 -7.556 -2.412 10.523 1.00 0.00 C ATOM 1465 OE1 GLN A 92 -6.779 -1.820 11.276 1.00 0.00 O ATOM 1466 NE2 GLN A 92 -8.823 -2.643 10.859 1.00 0.00 N ATOM 0 H GLN A 92 -6.729 -3.914 6.080 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.849 -1.825 6.681 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.199 -1.894 9.163 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.461 -1.044 8.294 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.964 -2.993 8.494 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.696 -3.926 9.263 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.440 -3.136 10.213 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -9.177 -2.327 11.762 1.00 0.00 H new ATOM 1475 N PRO A 93 -3.305 -3.760 7.646 1.00 0.00 N ATOM 1476 CA PRO A 93 -2.442 -4.940 7.913 1.00 0.00 C ATOM 1477 C PRO A 93 -2.760 -5.599 9.276 1.00 0.00 C ATOM 1478 O PRO A 93 -3.302 -4.949 10.180 1.00 0.00 O ATOM 1479 CB PRO A 93 -1.012 -4.351 7.878 1.00 0.00 C ATOM 1480 CG PRO A 93 -1.180 -2.921 8.284 1.00 0.00 C ATOM 1481 CD PRO A 93 -2.518 -2.490 7.714 1.00 0.00 C ATOM 0 HA PRO A 93 -2.590 -5.740 7.188 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.349 -4.881 8.561 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.575 -4.431 6.883 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.164 -2.817 9.369 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.370 -2.305 7.893 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.005 -1.752 8.351 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.405 -2.036 6.729 1.00 0.00 H new ATOM 1489 N LEU A 94 -2.400 -6.885 9.416 1.00 0.00 N ATOM 1490 CA LEU A 94 -2.805 -7.721 10.566 1.00 0.00 C ATOM 1491 C LEU A 94 -1.562 -8.396 11.199 1.00 0.00 C ATOM 1492 O LEU A 94 -0.969 -9.272 10.582 1.00 0.00 O ATOM 1493 CB LEU A 94 -3.860 -8.778 10.075 1.00 0.00 C ATOM 1494 CG LEU A 94 -4.566 -9.716 11.132 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -3.746 -10.987 11.446 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -4.947 -8.945 12.418 1.00 0.00 C ATOM 0 H LEU A 94 -1.820 -7.378 8.737 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.264 -7.106 11.339 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.643 -8.237 9.543 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.365 -9.420 9.346 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.492 -10.057 10.669 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.280 -11.593 12.178 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.604 -11.563 10.532 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.774 -10.703 11.850 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.430 -9.625 13.120 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.048 -8.531 12.874 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.632 -8.135 12.167 1.00 0.00 H new ATOM 1508 N PRO A 95 -1.135 -7.975 12.435 1.00 0.00 N ATOM 1509 CA PRO A 95 -0.147 -8.733 13.246 1.00 0.00 C ATOM 1510 C PRO A 95 -0.683 -10.141 13.572 1.00 0.00 C ATOM 1511 O PRO A 95 -1.849 -10.273 13.978 1.00 0.00 O ATOM 1512 CB PRO A 95 0.018 -7.875 14.538 1.00 0.00 C ATOM 1513 CG PRO A 95 -0.459 -6.505 14.143 1.00 0.00 C ATOM 1514 CD PRO A 95 -1.560 -6.730 13.126 1.00 0.00 C ATOM 0 HA PRO A 95 0.801 -8.886 12.730 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.572 -8.279 15.361 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.056 -7.853 14.870 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.831 -5.956 15.008 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.353 -5.916 13.717 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.532 -6.847 13.605 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.645 -5.893 12.432 1.00 0.00 H new ATOM 1522 N ASP A 96 0.157 -11.180 13.397 1.00 0.00 N ATOM 1523 CA ASP A 96 -0.267 -12.594 13.572 1.00 0.00 C ATOM 1524 C ASP A 96 -0.659 -12.883 15.045 1.00 0.00 C ATOM 1525 O ASP A 96 -0.434 -12.046 15.921 1.00 0.00 O ATOM 1526 CB ASP A 96 0.858 -13.562 13.124 1.00 0.00 C ATOM 1527 CG ASP A 96 2.009 -13.646 14.138 1.00 0.00 C ATOM 1528 OD1 ASP A 96 2.664 -12.623 14.385 1.00 0.00 O ATOM 1529 OD2 ASP A 96 2.235 -14.726 14.716 1.00 0.00 O ATOM 0 H ASP A 96 1.137 -11.072 13.134 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.143 -12.756 12.945 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.438 -14.557 12.975 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.251 -13.235 12.161 1.00 0.00 H new ATOM 1534 N ALA A 97 -1.177 -14.095 15.295 1.00 0.00 N ATOM 1535 CA ALA A 97 -1.662 -14.531 16.625 1.00 0.00 C ATOM 1536 C ALA A 97 -0.583 -14.412 17.730 1.00 0.00 C ATOM 1537 O ALA A 97 -0.897 -14.079 18.877 1.00 0.00 O ATOM 1538 CB ALA A 97 -2.171 -15.979 16.528 1.00 0.00 C ATOM 0 H ALA A 97 -1.275 -14.812 14.576 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.473 -13.863 16.915 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.529 -16.305 17.505 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.987 -16.030 15.807 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.358 -16.629 16.204 1.00 0.00 H new ATOM 1544 N ALA A 98 0.685 -14.674 17.367 1.00 0.00 N ATOM 1545 CA ALA A 98 1.823 -14.639 18.317 1.00 0.00 C ATOM 1546 C ALA A 98 2.452 -13.226 18.422 1.00 0.00 C ATOM 1547 O ALA A 98 3.250 -12.981 19.334 1.00 0.00 O ATOM 1548 CB ALA A 98 2.898 -15.663 17.897 1.00 0.00 C ATOM 0 H ALA A 98 0.954 -14.915 16.413 1.00 0.00 H new ATOM 0 HA ALA A 98 1.433 -14.900 19.301 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.729 -15.628 18.602 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.466 -16.664 17.894 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.260 -15.421 16.898 1.00 0.00 H new ATOM 1554 N ARG A 99 2.090 -12.324 17.471 1.00 0.00 N ATOM 1555 CA ARG A 99 2.664 -10.949 17.348 1.00 0.00 C ATOM 1556 C ARG A 99 4.194 -11.012 17.094 1.00 0.00 C ATOM 1557 O ARG A 99 4.943 -10.091 17.441 1.00 0.00 O ATOM 1558 CB ARG A 99 2.315 -10.028 18.572 1.00 0.00 C ATOM 1559 CG ARG A 99 0.866 -9.451 18.605 1.00 0.00 C ATOM 1560 CD ARG A 99 -0.226 -10.523 18.747 1.00 0.00 C ATOM 1561 NE ARG A 99 -1.579 -9.947 18.928 1.00 0.00 N ATOM 1562 CZ ARG A 99 -2.542 -9.880 17.991 1.00 0.00 C ATOM 1563 NH1 ARG A 99 -2.300 -10.211 16.733 1.00 0.00 N ATOM 1564 NH2 ARG A 99 -3.742 -9.438 18.324 1.00 0.00 N ATOM 0 H ARG A 99 1.387 -12.529 16.761 1.00 0.00 H new ATOM 0 HA ARG A 99 2.193 -10.485 16.482 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.479 -10.597 19.487 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.017 -9.194 18.585 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.783 -8.749 19.435 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.690 -8.885 17.690 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.222 -11.158 17.861 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.008 -11.162 19.598 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.801 -9.566 19.848 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.369 -10.524 16.458 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.044 -10.153 16.038 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.932 -9.151 19.284 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.479 -9.383 17.621 1.00 0.00 H new ATOM 1578 N THR A 100 4.627 -12.106 16.444 1.00 0.00 N ATOM 1579 CA THR A 100 6.032 -12.339 16.070 1.00 0.00 C ATOM 1580 C THR A 100 6.296 -11.841 14.629 1.00 0.00 C ATOM 1581 O THR A 100 7.426 -11.921 14.132 1.00 0.00 O ATOM 1582 CB THR A 100 6.380 -13.865 16.201 1.00 0.00 C ATOM 1583 OG1 THR A 100 7.790 -14.085 16.036 1.00 0.00 O ATOM 1584 CG2 THR A 100 5.615 -14.732 15.184 1.00 0.00 C ATOM 0 H THR A 100 4.004 -12.862 16.160 1.00 0.00 H new ATOM 0 HA THR A 100 6.674 -11.777 16.749 1.00 0.00 H new ATOM 0 HB THR A 100 6.073 -14.163 17.203 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.133 -13.495 15.333 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.891 -15.778 15.317 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.543 -14.617 15.342 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.869 -14.415 14.172 1.00 0.00 H new ATOM 1592 N ARG A 101 5.242 -11.317 13.975 1.00 0.00 N ATOM 1593 CA ARG A 101 5.308 -10.804 12.603 1.00 0.00 C ATOM 1594 C ARG A 101 4.080 -9.923 12.308 1.00 0.00 C ATOM 1595 O ARG A 101 3.117 -9.869 13.091 1.00 0.00 O ATOM 1596 CB ARG A 101 5.390 -11.960 11.557 1.00 0.00 C ATOM 1597 CG ARG A 101 4.091 -12.769 11.412 1.00 0.00 C ATOM 1598 CD ARG A 101 4.146 -13.817 10.304 1.00 0.00 C ATOM 1599 NE ARG A 101 5.265 -14.754 10.507 1.00 0.00 N ATOM 1600 CZ ARG A 101 5.158 -16.079 10.706 1.00 0.00 C ATOM 1601 NH1 ARG A 101 3.978 -16.686 10.715 1.00 0.00 N ATOM 1602 NH2 ARG A 101 6.246 -16.792 10.920 1.00 0.00 N ATOM 0 H ARG A 101 4.315 -11.239 14.392 1.00 0.00 H new ATOM 0 HA ARG A 101 6.217 -10.208 12.518 1.00 0.00 H new ATOM 0 HB2 ARG A 101 5.654 -11.539 10.587 1.00 0.00 H new ATOM 0 HB3 ARG A 101 6.197 -12.636 11.841 1.00 0.00 H new ATOM 0 HG2 ARG A 101 3.873 -13.264 12.358 1.00 0.00 H new ATOM 0 HG3 ARG A 101 3.266 -12.084 11.213 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.207 -14.370 10.277 1.00 0.00 H new ATOM 0 HD3 ARG A 101 4.253 -13.323 9.338 1.00 0.00 H new ATOM 0 HE ARG A 101 6.206 -14.361 10.495 1.00 0.00 H new ATOM 0 HH11 ARG A 101 3.125 -16.146 10.569 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.924 -17.693 10.868 1.00 0.00 H new ATOM 0 HH21 ARG A 101 7.159 -16.338 10.934 1.00 0.00 H new ATOM 0 HH22 ARG A 101 6.175 -17.798 11.072 1.00 0.00 H new ATOM 1616 N LEU A 102 4.152 -9.232 11.174 1.00 0.00 N ATOM 1617 CA LEU A 102 3.038 -8.502 10.568 1.00 0.00 C ATOM 1618 C LEU A 102 2.631 -9.253 9.281 1.00 0.00 C ATOM 1619 O LEU A 102 3.392 -9.286 8.310 1.00 0.00 O ATOM 1620 CB LEU A 102 3.470 -7.015 10.266 1.00 0.00 C ATOM 1621 CG LEU A 102 2.757 -5.885 11.069 1.00 0.00 C ATOM 1622 CD1 LEU A 102 1.254 -5.819 10.737 1.00 0.00 C ATOM 1623 CD2 LEU A 102 3.009 -6.024 12.585 1.00 0.00 C ATOM 0 H LEU A 102 5.014 -9.161 10.633 1.00 0.00 H new ATOM 0 HA LEU A 102 2.184 -8.455 11.244 1.00 0.00 H new ATOM 0 HB2 LEU A 102 4.542 -6.932 10.447 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.310 -6.827 9.204 1.00 0.00 H new ATOM 0 HG LEU A 102 3.193 -4.935 10.759 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.789 -5.020 11.315 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.125 -5.620 9.673 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.784 -6.770 10.988 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.497 -5.220 13.114 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.629 -6.985 12.930 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.079 -5.965 12.783 1.00 0.00 H new ATOM 1635 N GLU A 103 1.460 -9.905 9.296 1.00 0.00 N ATOM 1636 CA GLU A 103 0.898 -10.552 8.103 1.00 0.00 C ATOM 1637 C GLU A 103 0.088 -9.506 7.318 1.00 0.00 C ATOM 1638 O GLU A 103 -0.960 -9.031 7.778 1.00 0.00 O ATOM 1639 CB GLU A 103 -0.005 -11.755 8.470 1.00 0.00 C ATOM 1640 CG GLU A 103 -0.570 -12.498 7.241 1.00 0.00 C ATOM 1641 CD GLU A 103 -1.636 -13.541 7.600 1.00 0.00 C ATOM 1642 OE1 GLU A 103 -2.828 -13.184 7.687 1.00 0.00 O ATOM 1643 OE2 GLU A 103 -1.293 -14.725 7.798 1.00 0.00 O ATOM 0 H GLU A 103 0.879 -9.998 10.129 1.00 0.00 H new ATOM 0 HA GLU A 103 1.717 -10.939 7.496 1.00 0.00 H new ATOM 0 HB2 GLU A 103 0.567 -12.456 9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -0.834 -11.403 9.085 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.000 -11.771 6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.248 -12.991 6.715 1.00 0.00 H new ATOM 1650 N ILE A 104 0.598 -9.128 6.147 1.00 0.00 N ATOM 1651 CA ILE A 104 0.029 -8.046 5.334 1.00 0.00 C ATOM 1652 C ILE A 104 -0.855 -8.646 4.238 1.00 0.00 C ATOM 1653 O ILE A 104 -0.365 -9.395 3.385 1.00 0.00 O ATOM 1654 CB ILE A 104 1.158 -7.156 4.667 1.00 0.00 C ATOM 1655 CG1 ILE A 104 2.309 -6.842 5.675 1.00 0.00 C ATOM 1656 CG2 ILE A 104 0.555 -5.857 4.083 1.00 0.00 C ATOM 1657 CD1 ILE A 104 1.873 -6.140 6.933 1.00 0.00 C ATOM 0 H ILE A 104 1.421 -9.563 5.731 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.560 -7.406 5.991 1.00 0.00 H new ATOM 0 HB ILE A 104 1.593 -7.727 3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.798 -7.777 5.948 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.055 -6.227 5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.346 -5.260 3.630 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -0.188 -6.109 3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.081 -5.285 4.881 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.739 -5.964 7.571 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.412 -5.186 6.676 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.151 -6.760 7.464 1.00 0.00 H new ATOM 1669 N LEU A 105 -2.161 -8.349 4.287 1.00 0.00 N ATOM 1670 CA LEU A 105 -3.078 -8.659 3.186 1.00 0.00 C ATOM 1671 C LEU A 105 -3.090 -7.462 2.219 1.00 0.00 C ATOM 1672 O LEU A 105 -3.180 -6.296 2.636 1.00 0.00 O ATOM 1673 CB LEU A 105 -4.517 -9.021 3.668 1.00 0.00 C ATOM 1674 CG LEU A 105 -5.317 -7.924 4.457 1.00 0.00 C ATOM 1675 CD1 LEU A 105 -6.835 -8.158 4.349 1.00 0.00 C ATOM 1676 CD2 LEU A 105 -4.878 -7.834 5.939 1.00 0.00 C ATOM 0 H LEU A 105 -2.606 -7.892 5.083 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.718 -9.553 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.104 -9.301 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.447 -9.906 4.301 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.084 -6.966 3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.363 -7.383 4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.135 -8.122 3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.083 -9.135 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.459 -7.062 6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.047 -8.794 6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.819 -7.583 5.990 1.00 0.00 H new ATOM 1688 N CYS A 106 -3.006 -7.779 0.937 1.00 0.00 N ATOM 1689 CA CYS A 106 -2.859 -6.805 -0.149 1.00 0.00 C ATOM 1690 C CYS A 106 -3.480 -7.369 -1.428 1.00 0.00 C ATOM 1691 O CYS A 106 -4.072 -8.439 -1.410 1.00 0.00 O ATOM 1692 CB CYS A 106 -1.367 -6.438 -0.388 1.00 0.00 C ATOM 1693 SG CYS A 106 -0.570 -5.566 0.971 1.00 0.00 S ATOM 0 H CYS A 106 -3.038 -8.744 0.607 1.00 0.00 H new ATOM 0 HA CYS A 106 -3.379 -5.891 0.137 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -0.811 -7.354 -0.588 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -1.299 -5.822 -1.285 1.00 0.00 H new ATOM 0 HG CYS A 106 -1.335 -5.607 2.021 1.00 0.00 H new ATOM 1699 N ARG A 107 -3.407 -6.592 -2.504 1.00 0.00 N ATOM 1700 CA ARG A 107 -3.687 -7.062 -3.873 1.00 0.00 C ATOM 1701 C ARG A 107 -2.829 -6.258 -4.848 1.00 0.00 C ATOM 1702 O ARG A 107 -2.435 -5.124 -4.531 1.00 0.00 O ATOM 1703 CB ARG A 107 -5.203 -6.964 -4.238 1.00 0.00 C ATOM 1704 CG ARG A 107 -5.788 -5.541 -4.438 1.00 0.00 C ATOM 1705 CD ARG A 107 -5.820 -4.688 -3.159 1.00 0.00 C ATOM 1706 NE ARG A 107 -6.475 -3.384 -3.383 1.00 0.00 N ATOM 1707 CZ ARG A 107 -6.510 -2.366 -2.513 1.00 0.00 C ATOM 1708 NH1 ARG A 107 -5.919 -2.450 -1.334 1.00 0.00 N ATOM 1709 NH2 ARG A 107 -7.124 -1.249 -2.844 1.00 0.00 N ATOM 0 H ARG A 107 -3.150 -5.606 -2.459 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.432 -8.120 -3.939 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.368 -7.530 -5.155 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.774 -7.458 -3.451 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.199 -5.021 -5.194 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.802 -5.629 -4.829 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.349 -5.230 -2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.802 -4.527 -2.805 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.942 -3.246 -4.279 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -5.424 -3.302 -1.071 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -5.958 -1.663 -0.687 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.569 -1.163 -3.758 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.155 -0.470 -2.187 1.00 0.00 H new ATOM 1723 N GLU A 108 -2.490 -6.858 -6.004 1.00 0.00 N ATOM 1724 CA GLU A 108 -1.679 -6.191 -7.025 1.00 0.00 C ATOM 1725 C GLU A 108 -2.374 -4.926 -7.554 1.00 0.00 C ATOM 1726 O GLU A 108 -3.374 -5.002 -8.281 1.00 0.00 O ATOM 1727 CB GLU A 108 -1.335 -7.166 -8.172 1.00 0.00 C ATOM 1728 CG GLU A 108 -0.311 -6.610 -9.172 1.00 0.00 C ATOM 1729 CD GLU A 108 0.004 -7.591 -10.307 1.00 0.00 C ATOM 1730 OE1 GLU A 108 0.785 -8.535 -10.081 1.00 0.00 O ATOM 1731 OE2 GLU A 108 -0.534 -7.428 -11.427 1.00 0.00 O ATOM 0 H GLU A 108 -2.769 -7.808 -6.250 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.745 -5.876 -6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.947 -8.091 -7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.250 -7.420 -8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.692 -5.681 -9.596 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.610 -6.365 -8.643 1.00 0.00 H new ATOM 1738 N GLY A 109 -1.831 -3.763 -7.143 1.00 0.00 N ATOM 1739 CA GLY A 109 -2.322 -2.457 -7.576 1.00 0.00 C ATOM 1740 C GLY A 109 -1.574 -1.925 -8.791 1.00 0.00 C ATOM 1741 O GLY A 109 -1.346 -0.717 -8.914 1.00 0.00 O ATOM 0 H GLY A 109 -1.040 -3.712 -6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.384 -2.532 -7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.227 -1.746 -6.755 1.00 0.00 H new ATOM 1745 N ALA A 110 -1.189 -2.852 -9.690 1.00 0.00 N ATOM 1746 CA ALA A 110 -0.586 -2.542 -11.004 1.00 0.00 C ATOM 1747 C ALA A 110 -1.689 -2.606 -12.079 1.00 0.00 C ATOM 1748 O ALA A 110 -1.444 -2.989 -13.226 1.00 0.00 O ATOM 1749 CB ALA A 110 0.553 -3.544 -11.302 1.00 0.00 C ATOM 0 H ALA A 110 -1.289 -3.853 -9.522 1.00 0.00 H new ATOM 0 HA ALA A 110 -0.156 -1.541 -11.002 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.996 -3.314 -12.271 1.00 0.00 H new ATOM 0 HB2 ALA A 110 1.316 -3.469 -10.527 1.00 0.00 H new ATOM 0 HB3 ALA A 110 0.151 -4.557 -11.318 1.00 0.00 H new ATOM 1755 N GLU A 111 -2.894 -2.168 -11.685 1.00 0.00 N ATOM 1756 CA GLU A 111 -4.142 -2.399 -12.435 1.00 0.00 C ATOM 1757 C GLU A 111 -4.229 -1.495 -13.677 1.00 0.00 C ATOM 1758 O GLU A 111 -4.766 -1.906 -14.709 1.00 0.00 O ATOM 1759 CB GLU A 111 -5.353 -2.176 -11.486 1.00 0.00 C ATOM 1760 CG GLU A 111 -5.306 -3.063 -10.222 1.00 0.00 C ATOM 1761 CD GLU A 111 -6.427 -2.780 -9.208 1.00 0.00 C ATOM 1762 OE1 GLU A 111 -6.419 -1.687 -8.598 1.00 0.00 O ATOM 1763 OE2 GLU A 111 -7.315 -3.643 -9.003 1.00 0.00 O ATOM 0 H GLU A 111 -3.033 -1.636 -10.826 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.155 -3.427 -12.796 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -5.383 -1.128 -11.186 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -6.275 -2.379 -12.030 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.361 -4.109 -10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.343 -2.923 -9.730 1.00 0.00 H new ATOM 1770 N LYS A 112 -3.689 -0.271 -13.560 1.00 0.00 N ATOM 1771 CA LYS A 112 -3.598 0.684 -14.681 1.00 0.00 C ATOM 1772 C LYS A 112 -2.498 0.218 -15.659 1.00 0.00 C ATOM 1773 O LYS A 112 -1.354 0.000 -15.208 1.00 0.00 O ATOM 1774 CB LYS A 112 -3.303 2.126 -14.166 1.00 0.00 C ATOM 1775 CG LYS A 112 -4.336 2.663 -13.156 1.00 0.00 C ATOM 1776 CD LYS A 112 -5.763 2.761 -13.752 1.00 0.00 C ATOM 1777 CE LYS A 112 -6.809 3.171 -12.705 1.00 0.00 C ATOM 1778 NZ LYS A 112 -6.927 2.162 -11.621 1.00 0.00 N ATOM 1779 OXT LYS A 112 -2.773 0.069 -16.864 1.00 0.00 O ATOM 0 H LYS A 112 -3.303 0.086 -12.686 1.00 0.00 H new ATOM 0 HA LYS A 112 -4.555 0.712 -15.201 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -2.317 2.138 -13.701 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -3.261 2.803 -15.020 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.356 2.011 -12.282 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.022 3.648 -12.812 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -5.765 3.486 -14.566 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.041 1.799 -14.182 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.536 4.135 -12.276 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.777 3.300 -13.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.772 2.364 -11.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.010 1.213 -12.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.082 2.202 -11.016 1.00 0.00 H new TER 1793 LYS A 112