USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 751 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 43 LYS NZ :NH3+ -118:sc= 0.708 (180deg=-2.54) USER MOD Set 1.2: A 45 TYR OH : rot 15:sc= -0.538 USER MOD Set 2.1: A 10 GLN : amide:sc= -5.55! C(o=-8.4!,f=-13!) USER MOD Set 2.2: A 84 HIS : no HD1:sc= -2.83! C(o=-8.4!,f=-9.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= -0.49 (180deg=-1.51!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 130:sc= -4.77! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -151:sc= -0.78 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 0:sc= -1.88! USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.35 K(o=-0.35,f=-2.9!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.561 K(o=-0.56,f=-3.6!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.14 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -171:sc= -0.836! (180deg=-0.891) USER MOD Single : A 80 THR OG1 : rot 14:sc= 0.669 USER MOD Single : A 83 GLN : amide:sc= -0.653 X(o=-0.65,f=-0.65) USER MOD Single : A 89 ASN : amide:sc= -0.254 K(o=-0.25,f=-2.3!) USER MOD Single : A 90 MET CE :methyl -169:sc= -0.561 (180deg=-0.832) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.569 -18.426 -0.824 1.00 0.00 N ATOM 2 CA MET A 1 10.751 -17.660 -1.801 1.00 0.00 C ATOM 3 C MET A 1 11.327 -16.267 -2.027 1.00 0.00 C ATOM 4 O MET A 1 12.004 -15.716 -1.159 1.00 0.00 O ATOM 5 CB MET A 1 9.321 -17.561 -1.266 1.00 0.00 C ATOM 6 CG MET A 1 9.247 -17.193 0.207 1.00 0.00 C ATOM 7 SD MET A 1 9.349 -15.414 0.484 1.00 0.00 S ATOM 8 CE MET A 1 9.666 -15.365 2.245 1.00 0.00 C ATOM 0 H1 MET A 1 10.978 -19.152 -0.370 1.00 0.00 H new ATOM 0 H2 MET A 1 12.362 -18.883 -1.318 1.00 0.00 H new ATOM 0 H3 MET A 1 11.940 -17.779 -0.099 1.00 0.00 H new ATOM 0 HA MET A 1 10.758 -18.178 -2.760 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.776 -16.816 -1.846 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.818 -18.516 -1.419 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.313 -17.569 0.625 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.058 -17.687 0.742 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.755 -14.328 2.570 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.843 -15.843 2.776 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.594 -15.894 2.463 1.00 0.00 H new ATOM 18 N LEU A 2 11.057 -15.703 -3.199 1.00 0.00 N ATOM 19 CA LEU A 2 11.554 -14.375 -3.537 1.00 0.00 C ATOM 20 C LEU A 2 10.474 -13.316 -3.336 1.00 0.00 C ATOM 21 O LEU A 2 9.499 -13.260 -4.085 1.00 0.00 O ATOM 22 CB LEU A 2 12.048 -14.344 -4.986 1.00 0.00 C ATOM 23 CG LEU A 2 11.765 -15.610 -5.798 1.00 0.00 C ATOM 24 CD1 LEU A 2 10.330 -15.612 -6.299 1.00 0.00 C ATOM 25 CD2 LEU A 2 12.738 -15.721 -6.962 1.00 0.00 C ATOM 0 H LEU A 2 10.498 -16.144 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 2 12.386 -14.150 -2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.587 -13.496 -5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 2 13.123 -14.167 -4.983 1.00 0.00 H new ATOM 0 HG LEU A 2 11.902 -16.475 -5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 2 10.147 -16.520 -6.874 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.648 -15.577 -5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 2 10.165 -14.741 -6.933 1.00 0.00 H new ATOM 0 HD21 LEU A 2 12.524 -16.626 -7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.630 -14.852 -7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 2 13.758 -15.765 -6.581 1.00 0.00 H new ATOM 37 N THR A 3 10.660 -12.473 -2.324 1.00 0.00 N ATOM 38 CA THR A 3 9.705 -11.410 -2.034 1.00 0.00 C ATOM 39 C THR A 3 9.247 -10.733 -3.318 1.00 0.00 C ATOM 40 O THR A 3 9.996 -10.662 -4.293 1.00 0.00 O ATOM 41 CB THR A 3 10.315 -10.343 -1.104 1.00 0.00 C ATOM 42 OG1 THR A 3 11.682 -10.643 -0.793 1.00 0.00 O ATOM 43 CG2 THR A 3 9.537 -10.240 0.197 1.00 0.00 C ATOM 0 H THR A 3 11.461 -12.506 -1.693 1.00 0.00 H new ATOM 0 HA THR A 3 8.854 -11.873 -1.535 1.00 0.00 H new ATOM 0 HB THR A 3 10.263 -9.394 -1.638 1.00 0.00 H new ATOM 0 HG1 THR A 3 12.043 -9.949 -0.203 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.990 -9.480 0.833 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.504 -9.965 -0.017 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.557 -11.201 0.710 1.00 0.00 H new ATOM 51 N PRO A 4 8.009 -10.219 -3.339 1.00 0.00 N ATOM 52 CA PRO A 4 7.461 -9.539 -4.513 1.00 0.00 C ATOM 53 C PRO A 4 8.168 -8.218 -4.789 1.00 0.00 C ATOM 54 O PRO A 4 8.986 -7.763 -3.989 1.00 0.00 O ATOM 55 CB PRO A 4 5.996 -9.301 -4.141 1.00 0.00 C ATOM 56 CG PRO A 4 5.978 -9.295 -2.652 1.00 0.00 C ATOM 57 CD PRO A 4 7.052 -10.256 -2.219 1.00 0.00 C ATOM 0 HA PRO A 4 7.586 -10.126 -5.423 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.634 -8.356 -4.545 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.354 -10.085 -4.541 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.170 -8.295 -2.264 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.004 -9.602 -2.273 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.516 -9.946 -1.283 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.655 -11.259 -2.061 1.00 0.00 H new ATOM 65 N ALA A 5 7.851 -7.607 -5.924 1.00 0.00 N ATOM 66 CA ALA A 5 8.461 -6.339 -6.301 1.00 0.00 C ATOM 67 C ALA A 5 7.445 -5.204 -6.250 1.00 0.00 C ATOM 68 O ALA A 5 7.182 -4.548 -7.258 1.00 0.00 O ATOM 69 CB ALA A 5 9.084 -6.425 -7.686 1.00 0.00 C ATOM 0 H ALA A 5 7.176 -7.969 -6.598 1.00 0.00 H new ATOM 0 HA ALA A 5 9.250 -6.126 -5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.532 -5.465 -7.943 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.852 -7.198 -7.692 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.314 -6.673 -8.417 1.00 0.00 H new ATOM 75 N PHE A 6 6.879 -4.974 -5.070 1.00 0.00 N ATOM 76 CA PHE A 6 5.897 -3.918 -4.892 1.00 0.00 C ATOM 77 C PHE A 6 6.509 -2.553 -5.196 1.00 0.00 C ATOM 78 O PHE A 6 7.730 -2.392 -5.176 1.00 0.00 O ATOM 79 CB PHE A 6 5.348 -3.948 -3.465 1.00 0.00 C ATOM 80 CG PHE A 6 6.380 -3.675 -2.408 1.00 0.00 C ATOM 81 CD1 PHE A 6 7.191 -4.696 -1.934 1.00 0.00 C ATOM 82 CD2 PHE A 6 6.538 -2.402 -1.885 1.00 0.00 C ATOM 83 CE1 PHE A 6 8.140 -4.448 -0.960 1.00 0.00 C ATOM 84 CE2 PHE A 6 7.485 -2.149 -0.910 1.00 0.00 C ATOM 85 CZ PHE A 6 8.287 -3.175 -0.447 1.00 0.00 C ATOM 0 H PHE A 6 7.085 -5.506 -4.225 1.00 0.00 H new ATOM 0 HA PHE A 6 5.077 -4.087 -5.590 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.550 -3.211 -3.378 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.901 -4.925 -3.279 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.080 -5.695 -2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.914 -1.597 -2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 6 8.767 -5.251 -0.600 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.598 -1.152 -0.511 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.027 -2.981 0.315 1.00 0.00 H new ATOM 95 N ASP A 7 5.656 -1.575 -5.477 1.00 0.00 N ATOM 96 CA ASP A 7 6.113 -0.225 -5.787 1.00 0.00 C ATOM 97 C ASP A 7 5.146 0.813 -5.231 1.00 0.00 C ATOM 98 O ASP A 7 3.933 0.604 -5.222 1.00 0.00 O ATOM 99 CB ASP A 7 6.259 -0.046 -7.298 1.00 0.00 C ATOM 100 CG ASP A 7 7.401 0.882 -7.664 1.00 0.00 C ATOM 101 OD1 ASP A 7 7.324 2.081 -7.323 1.00 0.00 O ATOM 102 OD2 ASP A 7 8.372 0.411 -8.293 1.00 0.00 O ATOM 0 H ASP A 7 4.643 -1.692 -5.497 1.00 0.00 H new ATOM 0 HA ASP A 7 7.086 -0.080 -5.318 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.422 -1.019 -7.762 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.329 0.349 -7.706 1.00 0.00 H new ATOM 107 N LEU A 8 5.690 1.932 -4.764 1.00 0.00 N ATOM 108 CA LEU A 8 4.870 2.997 -4.202 1.00 0.00 C ATOM 109 C LEU A 8 4.981 4.279 -5.020 1.00 0.00 C ATOM 110 O LEU A 8 6.076 4.707 -5.385 1.00 0.00 O ATOM 111 CB LEU A 8 5.276 3.271 -2.752 1.00 0.00 C ATOM 112 CG LEU A 8 5.791 2.055 -1.983 1.00 0.00 C ATOM 113 CD1 LEU A 8 6.408 2.483 -0.660 1.00 0.00 C ATOM 114 CD2 LEU A 8 4.667 1.056 -1.753 1.00 0.00 C ATOM 0 H LEU A 8 6.692 2.124 -4.764 1.00 0.00 H new ATOM 0 HA LEU A 8 3.832 2.664 -4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.049 4.039 -2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.416 3.680 -2.221 1.00 0.00 H new ATOM 0 HG LEU A 8 6.564 1.570 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.769 1.604 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.241 3.161 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.657 2.991 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.051 0.196 -1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.872 1.529 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.271 0.726 -2.714 1.00 0.00 H new ATOM 126 N SER A 9 3.836 4.892 -5.283 1.00 0.00 N ATOM 127 CA SER A 9 3.778 6.138 -6.035 1.00 0.00 C ATOM 128 C SER A 9 2.751 7.062 -5.402 1.00 0.00 C ATOM 129 O SER A 9 1.646 6.632 -5.072 1.00 0.00 O ATOM 130 CB SER A 9 3.419 5.870 -7.497 1.00 0.00 C ATOM 131 OG SER A 9 3.410 7.071 -8.249 1.00 0.00 O ATOM 0 H SER A 9 2.926 4.543 -4.983 1.00 0.00 H new ATOM 0 HA SER A 9 4.758 6.614 -6.009 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.137 5.172 -7.929 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.440 5.395 -7.553 1.00 0.00 H new ATOM 0 HG SER A 9 3.179 6.872 -9.180 1.00 0.00 H new ATOM 137 N GLN A 10 3.116 8.323 -5.205 1.00 0.00 N ATOM 138 CA GLN A 10 2.204 9.264 -4.578 1.00 0.00 C ATOM 139 C GLN A 10 2.075 10.563 -5.365 1.00 0.00 C ATOM 140 O GLN A 10 3.053 11.100 -5.883 1.00 0.00 O ATOM 141 CB GLN A 10 2.660 9.559 -3.143 1.00 0.00 C ATOM 142 CG GLN A 10 3.579 10.768 -3.011 1.00 0.00 C ATOM 143 CD GLN A 10 5.000 10.476 -3.452 1.00 0.00 C ATOM 144 OE1 GLN A 10 5.243 9.569 -4.247 1.00 0.00 O ATOM 145 NE2 GLN A 10 5.950 11.248 -2.934 1.00 0.00 N ATOM 0 H GLN A 10 4.023 8.711 -5.466 1.00 0.00 H new ATOM 0 HA GLN A 10 1.218 8.799 -4.563 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.780 9.717 -2.520 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.175 8.682 -2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.180 11.589 -3.607 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.587 11.101 -1.973 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.704 11.989 -2.278 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.925 11.099 -3.193 1.00 0.00 H new ATOM 154 N ASP A 11 0.847 11.062 -5.414 1.00 0.00 N ATOM 155 CA ASP A 11 0.533 12.308 -6.093 1.00 0.00 C ATOM 156 C ASP A 11 0.224 13.380 -5.053 1.00 0.00 C ATOM 157 O ASP A 11 -0.081 13.063 -3.904 1.00 0.00 O ATOM 158 CB ASP A 11 -0.661 12.120 -7.031 1.00 0.00 C ATOM 159 CG ASP A 11 -0.239 11.767 -8.445 1.00 0.00 C ATOM 160 OD1 ASP A 11 0.898 11.279 -8.621 1.00 0.00 O ATOM 161 OD2 ASP A 11 -1.045 11.977 -9.375 1.00 0.00 O ATOM 0 H ASP A 11 0.040 10.612 -4.982 1.00 0.00 H new ATOM 0 HA ASP A 11 1.390 12.618 -6.692 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.305 11.332 -6.640 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.252 13.036 -7.050 1.00 0.00 H new ATOM 166 N PRO A 12 0.307 14.659 -5.433 1.00 0.00 N ATOM 167 CA PRO A 12 0.041 15.776 -4.518 1.00 0.00 C ATOM 168 C PRO A 12 -1.400 15.810 -4.007 1.00 0.00 C ATOM 169 O PRO A 12 -1.752 16.675 -3.205 1.00 0.00 O ATOM 170 CB PRO A 12 0.330 17.022 -5.364 1.00 0.00 C ATOM 171 CG PRO A 12 1.118 16.536 -6.534 1.00 0.00 C ATOM 172 CD PRO A 12 0.671 15.124 -6.777 1.00 0.00 C ATOM 0 HA PRO A 12 0.653 15.697 -3.619 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.595 17.501 -5.686 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.891 17.762 -4.793 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.939 17.158 -7.411 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.188 16.577 -6.328 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.175 15.081 -7.462 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.465 14.518 -7.213 1.00 0.00 H new ATOM 180 N ASP A 13 -2.229 14.867 -4.450 1.00 0.00 N ATOM 181 CA ASP A 13 -3.617 14.809 -4.003 1.00 0.00 C ATOM 182 C ASP A 13 -4.036 13.378 -3.664 1.00 0.00 C ATOM 183 O ASP A 13 -5.200 13.131 -3.348 1.00 0.00 O ATOM 184 CB ASP A 13 -4.548 15.374 -5.075 1.00 0.00 C ATOM 185 CG ASP A 13 -4.181 16.791 -5.470 1.00 0.00 C ATOM 186 OD1 ASP A 13 -4.278 17.692 -4.611 1.00 0.00 O ATOM 187 OD2 ASP A 13 -3.795 17.000 -6.640 1.00 0.00 O ATOM 0 H ASP A 13 -1.966 14.138 -5.113 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.695 15.414 -3.100 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.514 14.734 -5.956 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.574 15.356 -4.708 1.00 0.00 H new ATOM 192 N PHE A 14 -3.087 12.443 -3.723 1.00 0.00 N ATOM 193 CA PHE A 14 -3.379 11.039 -3.422 1.00 0.00 C ATOM 194 C PHE A 14 -2.112 10.210 -3.243 1.00 0.00 C ATOM 195 O PHE A 14 -1.017 10.632 -3.603 1.00 0.00 O ATOM 196 CB PHE A 14 -4.202 10.405 -4.548 1.00 0.00 C ATOM 197 CG PHE A 14 -5.364 11.231 -5.011 1.00 0.00 C ATOM 198 CD1 PHE A 14 -5.201 12.188 -5.997 1.00 0.00 C ATOM 199 CD2 PHE A 14 -6.618 11.048 -4.457 1.00 0.00 C ATOM 200 CE1 PHE A 14 -6.271 12.951 -6.424 1.00 0.00 C ATOM 201 CE2 PHE A 14 -7.693 11.806 -4.879 1.00 0.00 C ATOM 202 CZ PHE A 14 -7.519 12.760 -5.864 1.00 0.00 C ATOM 0 H PHE A 14 -2.116 12.629 -3.974 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.939 11.038 -2.487 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.546 10.215 -5.398 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.573 9.437 -4.209 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.227 12.340 -6.438 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.758 10.305 -3.686 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.132 13.695 -7.194 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.668 11.653 -4.440 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.357 13.355 -6.195 1.00 0.00 H new ATOM 212 N LEU A 15 -2.297 9.007 -2.709 1.00 0.00 N ATOM 213 CA LEU A 15 -1.206 8.064 -2.500 1.00 0.00 C ATOM 214 C LEU A 15 -1.643 6.684 -2.968 1.00 0.00 C ATOM 215 O LEU A 15 -2.533 6.077 -2.371 1.00 0.00 O ATOM 216 CB LEU A 15 -0.801 8.003 -1.026 1.00 0.00 C ATOM 217 CG LEU A 15 0.139 6.851 -0.663 1.00 0.00 C ATOM 218 CD1 LEU A 15 -0.639 5.557 -0.481 1.00 0.00 C ATOM 219 CD2 LEU A 15 1.210 6.684 -1.731 1.00 0.00 C ATOM 0 H LEU A 15 -3.208 8.659 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.342 8.400 -3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.320 8.944 -0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.703 7.922 -0.420 1.00 0.00 H new ATOM 0 HG LEU A 15 0.626 7.091 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.049 4.752 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.369 5.681 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.156 5.310 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.871 5.861 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.738 6.468 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.790 7.603 -1.811 1.00 0.00 H new ATOM 231 N THR A 16 -1.039 6.192 -4.042 1.00 0.00 N ATOM 232 CA THR A 16 -1.399 4.888 -4.574 1.00 0.00 C ATOM 233 C THR A 16 -0.300 3.867 -4.323 1.00 0.00 C ATOM 234 O THR A 16 0.882 4.147 -4.522 1.00 0.00 O ATOM 235 CB THR A 16 -1.681 4.961 -6.085 1.00 0.00 C ATOM 236 OG1 THR A 16 -2.840 5.757 -6.363 1.00 0.00 O ATOM 237 CG2 THR A 16 -1.901 3.572 -6.661 1.00 0.00 C ATOM 0 H THR A 16 -0.303 6.674 -4.558 1.00 0.00 H new ATOM 0 HA THR A 16 -2.305 4.574 -4.055 1.00 0.00 H new ATOM 0 HB THR A 16 -0.808 5.421 -6.548 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.625 6.417 -7.055 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.099 3.649 -7.730 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.010 2.966 -6.499 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.753 3.104 -6.167 1.00 0.00 H new ATOM 245 N ILE A 17 -0.700 2.680 -3.889 1.00 0.00 N ATOM 246 CA ILE A 17 0.241 1.609 -3.611 1.00 0.00 C ATOM 247 C ILE A 17 0.111 0.501 -4.650 1.00 0.00 C ATOM 248 O ILE A 17 -0.954 0.315 -5.239 1.00 0.00 O ATOM 249 CB ILE A 17 0.016 1.032 -2.201 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.026 2.171 -1.166 1.00 0.00 C ATOM 251 CG2 ILE A 17 1.070 -0.022 -1.884 1.00 0.00 C ATOM 252 CD1 ILE A 17 0.658 1.800 0.160 1.00 0.00 C ATOM 0 H ILE A 17 -1.676 2.436 -3.722 1.00 0.00 H new ATOM 0 HA ILE A 17 1.247 2.026 -3.660 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.958 0.544 -2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.561 3.023 -1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.000 2.495 -0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.897 -0.420 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.007 -0.830 -2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.061 0.430 -1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.624 2.658 0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.110 0.969 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.695 1.506 -0.001 1.00 0.00 H new ATOM 264 N ALA A 18 1.198 -0.229 -4.883 1.00 0.00 N ATOM 265 CA ALA A 18 1.189 -1.306 -5.865 1.00 0.00 C ATOM 266 C ALA A 18 1.949 -2.530 -5.365 1.00 0.00 C ATOM 267 O ALA A 18 3.146 -2.461 -5.086 1.00 0.00 O ATOM 268 CB ALA A 18 1.770 -0.831 -7.189 1.00 0.00 C ATOM 0 H ALA A 18 2.091 -0.095 -4.408 1.00 0.00 H new ATOM 0 HA ALA A 18 0.150 -1.597 -6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.754 -1.650 -7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.175 -0.001 -7.571 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.798 -0.501 -7.038 1.00 0.00 H new ATOM 274 N ILE A 19 1.242 -3.651 -5.258 1.00 0.00 N ATOM 275 CA ILE A 19 1.838 -4.901 -4.796 1.00 0.00 C ATOM 276 C ILE A 19 1.612 -6.014 -5.816 1.00 0.00 C ATOM 277 O ILE A 19 0.487 -6.236 -6.261 1.00 0.00 O ATOM 278 CB ILE A 19 1.247 -5.331 -3.441 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.709 -4.115 -2.684 1.00 0.00 C ATOM 280 CG2 ILE A 19 2.293 -6.060 -2.611 1.00 0.00 C ATOM 281 CD1 ILE A 19 -0.083 -4.473 -1.444 1.00 0.00 C ATOM 0 H ILE A 19 0.250 -3.719 -5.486 1.00 0.00 H new ATOM 0 HA ILE A 19 2.908 -4.728 -4.677 1.00 0.00 H new ATOM 0 HB ILE A 19 0.419 -6.015 -3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.545 -3.476 -2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.076 -3.532 -3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.858 -6.357 -1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.630 -6.947 -3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.142 -5.399 -2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.432 -3.561 -0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.940 -5.086 -1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.552 -5.030 -0.755 1.00 0.00 H new ATOM 293 N ARG A 20 2.684 -6.710 -6.190 1.00 0.00 N ATOM 294 CA ARG A 20 2.577 -7.791 -7.164 1.00 0.00 C ATOM 295 C ARG A 20 2.728 -9.159 -6.504 1.00 0.00 C ATOM 296 O ARG A 20 3.759 -9.465 -5.904 1.00 0.00 O ATOM 297 CB ARG A 20 3.636 -7.624 -8.255 1.00 0.00 C ATOM 298 CG ARG A 20 3.683 -8.781 -9.239 1.00 0.00 C ATOM 299 CD ARG A 20 5.065 -9.411 -9.296 1.00 0.00 C ATOM 300 NE ARG A 20 5.330 -10.032 -10.591 1.00 0.00 N ATOM 301 CZ ARG A 20 5.840 -9.378 -11.630 1.00 0.00 C ATOM 302 NH1 ARG A 20 6.140 -8.091 -11.524 1.00 0.00 N ATOM 303 NH2 ARG A 20 6.053 -10.013 -12.775 1.00 0.00 N ATOM 0 H ARG A 20 3.627 -6.546 -5.837 1.00 0.00 H new ATOM 0 HA ARG A 20 1.583 -7.738 -7.609 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.441 -6.701 -8.801 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.614 -7.516 -7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.950 -9.535 -8.950 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.402 -8.427 -10.231 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.819 -8.649 -9.098 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.155 -10.160 -8.509 1.00 0.00 H new ATOM 0 HE ARG A 20 5.112 -11.022 -10.705 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.980 -7.601 -10.644 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.531 -7.591 -12.322 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.825 -11.004 -12.859 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.444 -9.510 -13.572 1.00 0.00 H new ATOM 317 N VAL A 21 1.683 -9.973 -6.617 1.00 0.00 N ATOM 318 CA VAL A 21 1.682 -11.307 -6.030 1.00 0.00 C ATOM 319 C VAL A 21 0.910 -12.299 -6.895 1.00 0.00 C ATOM 320 O VAL A 21 -0.234 -12.049 -7.272 1.00 0.00 O ATOM 321 CB VAL A 21 1.072 -11.290 -4.616 1.00 0.00 C ATOM 322 CG1 VAL A 21 1.908 -10.426 -3.685 1.00 0.00 C ATOM 323 CG2 VAL A 21 -0.365 -10.795 -4.664 1.00 0.00 C ATOM 0 H VAL A 21 0.824 -9.731 -7.111 1.00 0.00 H new ATOM 0 HA VAL A 21 2.723 -11.626 -5.971 1.00 0.00 H new ATOM 0 HB VAL A 21 1.071 -12.308 -4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.462 -10.426 -2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.920 -10.826 -3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.942 -9.406 -4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.782 -10.789 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.388 -9.785 -5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.957 -11.456 -5.297 1.00 0.00 H new ATOM 333 N SER A 22 1.544 -13.428 -7.202 1.00 0.00 N ATOM 334 CA SER A 22 0.916 -14.462 -8.018 1.00 0.00 C ATOM 335 C SER A 22 0.491 -15.645 -7.154 1.00 0.00 C ATOM 336 O SER A 22 -0.546 -16.262 -7.391 1.00 0.00 O ATOM 337 CB SER A 22 1.878 -14.933 -9.111 1.00 0.00 C ATOM 338 OG SER A 22 1.519 -14.400 -10.373 1.00 0.00 O ATOM 0 H SER A 22 2.492 -13.649 -6.898 1.00 0.00 H new ATOM 0 HA SER A 22 0.029 -14.036 -8.486 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.894 -14.629 -8.861 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.874 -16.022 -9.159 1.00 0.00 H new ATOM 0 HG SER A 22 2.151 -14.715 -11.053 1.00 0.00 H new ATOM 344 N TYR A 23 1.305 -15.949 -6.148 1.00 0.00 N ATOM 345 CA TYR A 23 1.025 -17.051 -5.235 1.00 0.00 C ATOM 346 C TYR A 23 -0.227 -16.774 -4.410 1.00 0.00 C ATOM 347 O TYR A 23 -0.724 -17.658 -3.713 1.00 0.00 O ATOM 348 CB TYR A 23 2.219 -17.287 -4.308 1.00 0.00 C ATOM 349 CG TYR A 23 3.397 -17.930 -5.002 1.00 0.00 C ATOM 350 CD1 TYR A 23 4.236 -17.184 -5.819 1.00 0.00 C ATOM 351 CD2 TYR A 23 3.667 -19.284 -4.844 1.00 0.00 C ATOM 352 CE1 TYR A 23 5.312 -17.769 -6.460 1.00 0.00 C ATOM 353 CE2 TYR A 23 4.740 -19.876 -5.480 1.00 0.00 C ATOM 354 CZ TYR A 23 5.560 -19.114 -6.286 1.00 0.00 C ATOM 355 OH TYR A 23 6.629 -19.700 -6.923 1.00 0.00 O ATOM 0 H TYR A 23 2.168 -15.445 -5.944 1.00 0.00 H new ATOM 0 HA TYR A 23 0.852 -17.947 -5.831 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.533 -16.334 -3.882 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.906 -17.920 -3.478 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.045 -16.130 -5.956 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.027 -19.883 -4.213 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.955 -17.176 -7.094 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.936 -20.930 -5.347 1.00 0.00 H new ATOM 0 HH TYR A 23 6.664 -20.652 -6.694 1.00 0.00 H new ATOM 365 N ALA A 24 -0.718 -15.535 -4.491 1.00 0.00 N ATOM 366 CA ALA A 24 -1.909 -15.114 -3.754 1.00 0.00 C ATOM 367 C ALA A 24 -2.798 -16.296 -3.399 1.00 0.00 C ATOM 368 O ALA A 24 -3.306 -16.996 -4.274 1.00 0.00 O ATOM 369 CB ALA A 24 -2.700 -14.079 -4.541 1.00 0.00 C ATOM 0 H ALA A 24 -0.304 -14.801 -5.065 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.567 -14.660 -2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.580 -13.783 -3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.075 -13.205 -4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.012 -14.507 -5.494 1.00 0.00 H new ATOM 375 N ARG A 25 -2.976 -16.507 -2.103 1.00 0.00 N ATOM 376 CA ARG A 25 -3.798 -17.601 -1.611 1.00 0.00 C ATOM 377 C ARG A 25 -5.189 -17.107 -1.243 1.00 0.00 C ATOM 378 O ARG A 25 -6.170 -17.424 -1.917 1.00 0.00 O ATOM 379 CB ARG A 25 -3.139 -18.255 -0.399 1.00 0.00 C ATOM 380 CG ARG A 25 -3.524 -19.711 -0.221 1.00 0.00 C ATOM 381 CD ARG A 25 -4.174 -19.955 1.131 1.00 0.00 C ATOM 382 NE ARG A 25 -3.286 -20.671 2.041 1.00 0.00 N ATOM 383 CZ ARG A 25 -3.575 -20.908 3.317 1.00 0.00 C ATOM 384 NH1 ARG A 25 -4.723 -20.485 3.829 1.00 0.00 N ATOM 385 NH2 ARG A 25 -2.715 -21.570 4.080 1.00 0.00 N ATOM 0 H ARG A 25 -2.560 -15.932 -1.371 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.892 -18.341 -2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.056 -18.182 -0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.414 -17.701 0.499 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.211 -20.006 -1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.637 -20.337 -0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.456 -19.001 1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.092 -20.527 0.995 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.394 -21.008 1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.386 -19.977 3.244 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.943 -20.668 4.808 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.832 -21.897 3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.937 -21.752 5.059 1.00 0.00 H new ATOM 399 N VAL A 26 -5.268 -16.323 -0.175 1.00 0.00 N ATOM 400 CA VAL A 26 -6.541 -15.781 0.272 1.00 0.00 C ATOM 401 C VAL A 26 -7.347 -15.278 -0.920 1.00 0.00 C ATOM 402 O VAL A 26 -6.865 -14.460 -1.703 1.00 0.00 O ATOM 403 CB VAL A 26 -6.338 -14.632 1.277 1.00 0.00 C ATOM 404 CG1 VAL A 26 -5.961 -15.178 2.646 1.00 0.00 C ATOM 405 CG2 VAL A 26 -5.282 -13.661 0.772 1.00 0.00 C ATOM 0 H VAL A 26 -4.467 -16.050 0.395 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.086 -16.583 0.770 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.279 -14.090 1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.822 -14.351 3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.756 -15.829 3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.034 -15.747 2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.152 -12.856 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.336 -14.187 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.599 -13.243 -0.183 1.00 0.00 H new ATOM 415 N SER A 27 -8.573 -15.770 -1.056 1.00 0.00 N ATOM 416 CA SER A 27 -9.435 -15.366 -2.161 1.00 0.00 C ATOM 417 C SER A 27 -9.684 -13.863 -2.129 1.00 0.00 C ATOM 418 O SER A 27 -10.054 -13.261 -3.137 1.00 0.00 O ATOM 419 CB SER A 27 -10.765 -16.121 -2.104 1.00 0.00 C ATOM 420 OG SER A 27 -11.088 -16.680 -3.365 1.00 0.00 O ATOM 0 H SER A 27 -8.992 -16.447 -0.418 1.00 0.00 H new ATOM 0 HA SER A 27 -8.930 -15.613 -3.095 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.706 -16.912 -1.356 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.558 -15.443 -1.789 1.00 0.00 H new ATOM 0 HG SER A 27 -11.941 -17.158 -3.302 1.00 0.00 H new ATOM 426 N GLU A 28 -9.471 -13.263 -0.963 1.00 0.00 N ATOM 427 CA GLU A 28 -9.664 -11.829 -0.791 1.00 0.00 C ATOM 428 C GLU A 28 -8.524 -11.228 0.025 1.00 0.00 C ATOM 429 O GLU A 28 -7.960 -11.888 0.898 1.00 0.00 O ATOM 430 CB GLU A 28 -11.003 -11.551 -0.104 1.00 0.00 C ATOM 431 CG GLU A 28 -11.078 -12.076 1.321 1.00 0.00 C ATOM 432 CD GLU A 28 -10.676 -11.035 2.347 1.00 0.00 C ATOM 433 OE1 GLU A 28 -10.300 -9.915 1.940 1.00 0.00 O ATOM 434 OE2 GLU A 28 -10.738 -11.338 3.557 1.00 0.00 O ATOM 0 H GLU A 28 -9.164 -13.750 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.670 -11.364 -1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.181 -10.476 -0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.803 -12.002 -0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.094 -12.411 1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.429 -12.946 1.418 1.00 0.00 H new ATOM 441 N PHE A 29 -8.188 -9.976 -0.264 1.00 0.00 N ATOM 442 CA PHE A 29 -7.113 -9.294 0.449 1.00 0.00 C ATOM 443 C PHE A 29 -7.676 -8.300 1.458 1.00 0.00 C ATOM 444 O PHE A 29 -8.863 -7.974 1.429 1.00 0.00 O ATOM 445 CB PHE A 29 -6.192 -8.574 -0.537 1.00 0.00 C ATOM 446 CG PHE A 29 -6.089 -9.248 -1.874 1.00 0.00 C ATOM 447 CD1 PHE A 29 -5.999 -10.628 -1.966 1.00 0.00 C ATOM 448 CD2 PHE A 29 -6.080 -8.501 -3.041 1.00 0.00 C ATOM 449 CE1 PHE A 29 -5.903 -11.249 -3.197 1.00 0.00 C ATOM 450 CE2 PHE A 29 -5.984 -9.116 -4.274 1.00 0.00 C ATOM 451 CZ PHE A 29 -5.895 -10.492 -4.353 1.00 0.00 C ATOM 0 H PHE A 29 -8.642 -9.414 -0.984 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.536 -10.045 0.989 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.554 -7.556 -0.681 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.196 -8.499 -0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.004 -11.225 -1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.149 -7.425 -2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.834 -12.325 -3.255 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.979 -8.521 -5.176 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.819 -10.975 -5.316 1.00 0.00 H new ATOM 461 N ASP A 30 -6.815 -7.820 2.350 1.00 0.00 N ATOM 462 CA ASP A 30 -7.225 -6.862 3.369 1.00 0.00 C ATOM 463 C ASP A 30 -6.369 -5.601 3.310 1.00 0.00 C ATOM 464 O ASP A 30 -5.140 -5.669 3.332 1.00 0.00 O ATOM 465 CB ASP A 30 -7.131 -7.493 4.760 1.00 0.00 C ATOM 466 CG ASP A 30 -8.403 -7.309 5.563 1.00 0.00 C ATOM 467 OD1 ASP A 30 -8.932 -6.178 5.588 1.00 0.00 O ATOM 468 OD2 ASP A 30 -8.872 -8.298 6.168 1.00 0.00 O ATOM 0 H ASP A 30 -5.829 -8.079 2.387 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.261 -6.584 3.173 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.918 -8.557 4.660 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.295 -7.050 5.301 1.00 0.00 H new ATOM 473 N VAL A 31 -7.029 -4.450 3.234 1.00 0.00 N ATOM 474 CA VAL A 31 -6.336 -3.169 3.173 1.00 0.00 C ATOM 475 C VAL A 31 -6.791 -2.252 4.304 1.00 0.00 C ATOM 476 O VAL A 31 -7.975 -1.937 4.420 1.00 0.00 O ATOM 477 CB VAL A 31 -6.585 -2.458 1.830 1.00 0.00 C ATOM 478 CG1 VAL A 31 -5.977 -1.064 1.842 1.00 0.00 C ATOM 479 CG2 VAL A 31 -6.030 -3.282 0.678 1.00 0.00 C ATOM 0 H VAL A 31 -8.046 -4.379 3.213 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.271 -3.379 3.274 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.661 -2.357 1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.163 -0.578 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.429 -0.477 2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.902 -1.137 2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.215 -2.763 -0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.957 -3.418 0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.520 -4.256 0.658 1.00 0.00 H new ATOM 489 N TYR A 32 -5.847 -1.830 5.136 1.00 0.00 N ATOM 490 CA TYR A 32 -6.159 -0.952 6.258 1.00 0.00 C ATOM 491 C TYR A 32 -5.265 0.283 6.256 1.00 0.00 C ATOM 492 O TYR A 32 -4.039 0.174 6.280 1.00 0.00 O ATOM 493 CB TYR A 32 -6.001 -1.706 7.578 1.00 0.00 C ATOM 494 CG TYR A 32 -7.267 -2.394 8.038 1.00 0.00 C ATOM 495 CD1 TYR A 32 -7.572 -3.683 7.618 1.00 0.00 C ATOM 496 CD2 TYR A 32 -8.156 -1.755 8.892 1.00 0.00 C ATOM 497 CE1 TYR A 32 -8.728 -4.315 8.036 1.00 0.00 C ATOM 498 CE2 TYR A 32 -9.314 -2.379 9.314 1.00 0.00 C ATOM 499 CZ TYR A 32 -9.595 -3.659 8.884 1.00 0.00 C ATOM 500 OH TYR A 32 -10.747 -4.285 9.303 1.00 0.00 O ATOM 0 H TYR A 32 -4.861 -2.080 5.056 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.193 -0.625 6.151 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.212 -2.450 7.469 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.676 -1.007 8.349 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.895 -4.199 6.954 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.939 -0.753 9.232 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -8.951 -5.317 7.700 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.996 -1.867 9.977 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.247 -3.687 9.897 1.00 0.00 H new ATOM 510 N PHE A 33 -5.887 1.457 6.230 1.00 0.00 N ATOM 511 CA PHE A 33 -5.148 2.716 6.228 1.00 0.00 C ATOM 512 C PHE A 33 -5.749 3.700 7.227 1.00 0.00 C ATOM 513 O PHE A 33 -6.944 3.987 7.187 1.00 0.00 O ATOM 514 CB PHE A 33 -5.146 3.328 4.828 1.00 0.00 C ATOM 515 CG PHE A 33 -6.522 3.583 4.284 1.00 0.00 C ATOM 516 CD1 PHE A 33 -7.292 2.542 3.792 1.00 0.00 C ATOM 517 CD2 PHE A 33 -7.046 4.866 4.267 1.00 0.00 C ATOM 518 CE1 PHE A 33 -8.559 2.774 3.294 1.00 0.00 C ATOM 519 CE2 PHE A 33 -8.313 5.105 3.770 1.00 0.00 C ATOM 520 CZ PHE A 33 -9.070 4.058 3.282 1.00 0.00 C ATOM 0 H PHE A 33 -6.901 1.564 6.210 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.120 2.507 6.525 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.593 4.267 4.851 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.613 2.662 4.150 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.897 1.537 3.798 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.457 5.688 4.646 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.150 1.953 2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.711 6.109 3.763 1.00 0.00 H new ATOM 0 HZ PHE A 33 -10.060 4.242 2.892 1.00 0.00 H new ATOM 530 N GLU A 34 -4.911 4.213 8.124 1.00 0.00 N ATOM 531 CA GLU A 34 -5.362 5.166 9.135 1.00 0.00 C ATOM 532 C GLU A 34 -4.342 6.285 9.333 1.00 0.00 C ATOM 533 O GLU A 34 -3.200 6.029 9.717 1.00 0.00 O ATOM 534 CB GLU A 34 -5.608 4.451 10.463 1.00 0.00 C ATOM 535 CG GLU A 34 -4.957 3.080 10.547 1.00 0.00 C ATOM 536 CD GLU A 34 -4.454 2.757 11.940 1.00 0.00 C ATOM 537 OE1 GLU A 34 -5.283 2.685 12.871 1.00 0.00 O ATOM 538 OE2 GLU A 34 -3.228 2.576 12.102 1.00 0.00 O ATOM 0 H GLU A 34 -3.918 3.986 8.172 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.294 5.609 8.785 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.232 5.073 11.276 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.682 4.344 10.615 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.676 2.321 10.240 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.125 3.034 9.845 1.00 0.00 H new ATOM 545 N GLY A 35 -4.755 7.526 9.083 1.00 0.00 N ATOM 546 CA GLY A 35 -3.856 8.653 9.252 1.00 0.00 C ATOM 547 C GLY A 35 -2.664 8.597 8.320 1.00 0.00 C ATOM 548 O GLY A 35 -2.541 9.415 7.409 1.00 0.00 O ATOM 0 H GLY A 35 -5.694 7.769 8.767 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.404 9.579 9.078 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.504 8.680 10.283 1.00 0.00 H new ATOM 552 N SER A 36 -1.788 7.628 8.547 1.00 0.00 N ATOM 553 CA SER A 36 -0.599 7.461 7.721 1.00 0.00 C ATOM 554 C SER A 36 -0.023 6.063 7.897 1.00 0.00 C ATOM 555 O SER A 36 1.170 5.841 7.703 1.00 0.00 O ATOM 556 CB SER A 36 0.456 8.506 8.085 1.00 0.00 C ATOM 557 OG SER A 36 -0.147 9.701 8.549 1.00 0.00 O ATOM 0 H SER A 36 -1.878 6.944 9.298 1.00 0.00 H new ATOM 0 HA SER A 36 -0.885 7.597 6.678 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.117 8.107 8.854 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.074 8.722 7.214 1.00 0.00 H new ATOM 0 HG SER A 36 0.430 10.463 8.335 1.00 0.00 H new ATOM 563 N ASP A 37 -0.884 5.124 8.263 1.00 0.00 N ATOM 564 CA ASP A 37 -0.468 3.743 8.466 1.00 0.00 C ATOM 565 C ASP A 37 -1.151 2.825 7.461 1.00 0.00 C ATOM 566 O ASP A 37 -2.336 2.516 7.593 1.00 0.00 O ATOM 567 CB ASP A 37 -0.796 3.296 9.892 1.00 0.00 C ATOM 568 CG ASP A 37 -0.139 4.174 10.939 1.00 0.00 C ATOM 569 OD1 ASP A 37 0.190 5.336 10.618 1.00 0.00 O ATOM 570 OD2 ASP A 37 0.050 3.699 12.079 1.00 0.00 O ATOM 0 H ASP A 37 -1.877 5.293 8.426 1.00 0.00 H new ATOM 0 HA ASP A 37 0.610 3.683 8.315 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.876 3.311 10.035 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.471 2.265 10.030 1.00 0.00 H new ATOM 575 N PHE A 38 -0.395 2.392 6.456 1.00 0.00 N ATOM 576 CA PHE A 38 -0.926 1.507 5.426 1.00 0.00 C ATOM 577 C PHE A 38 -0.543 0.061 5.710 1.00 0.00 C ATOM 578 O PHE A 38 0.631 -0.305 5.639 1.00 0.00 O ATOM 579 CB PHE A 38 -0.406 1.918 4.046 1.00 0.00 C ATOM 580 CG PHE A 38 -0.904 1.034 2.936 1.00 0.00 C ATOM 581 CD1 PHE A 38 -0.265 -0.160 2.642 1.00 0.00 C ATOM 582 CD2 PHE A 38 -2.016 1.397 2.191 1.00 0.00 C ATOM 583 CE1 PHE A 38 -0.724 -0.976 1.624 1.00 0.00 C ATOM 584 CE2 PHE A 38 -2.479 0.585 1.174 1.00 0.00 C ATOM 585 CZ PHE A 38 -1.834 -0.603 0.890 1.00 0.00 C ATOM 0 H PHE A 38 0.587 2.640 6.334 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.013 1.591 5.436 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.705 2.947 3.844 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.684 1.899 4.055 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.601 -0.457 3.214 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.525 2.324 2.408 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.216 -1.903 1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.346 0.879 0.601 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.196 -1.239 0.096 1.00 0.00 H new ATOM 595 N LYS A 39 -1.536 -0.756 6.038 1.00 0.00 N ATOM 596 CA LYS A 39 -1.294 -2.160 6.337 1.00 0.00 C ATOM 597 C LYS A 39 -2.022 -3.071 5.355 1.00 0.00 C ATOM 598 O LYS A 39 -3.251 -3.082 5.287 1.00 0.00 O ATOM 599 CB LYS A 39 -1.726 -2.476 7.770 1.00 0.00 C ATOM 600 CG LYS A 39 -1.040 -1.610 8.814 1.00 0.00 C ATOM 601 CD LYS A 39 -1.390 -2.052 10.226 1.00 0.00 C ATOM 602 CE LYS A 39 -0.211 -1.889 11.171 1.00 0.00 C ATOM 603 NZ LYS A 39 -0.457 -2.547 12.484 1.00 0.00 N ATOM 0 H LYS A 39 -2.513 -0.471 6.103 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.225 -2.345 6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.805 -2.346 7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.514 -3.524 7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.040 -1.658 8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.334 -0.570 8.675 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.234 -1.468 10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.706 -3.095 10.214 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.682 -2.314 10.714 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.015 -0.828 11.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.370 -2.413 13.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.295 -2.124 12.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.619 -3.564 12.338 1.00 0.00 H new ATOM 617 N PHE A 40 -1.245 -3.846 4.607 1.00 0.00 N ATOM 618 CA PHE A 40 -1.795 -4.782 3.634 1.00 0.00 C ATOM 619 C PHE A 40 -1.744 -6.198 4.195 1.00 0.00 C ATOM 620 O PHE A 40 -0.796 -6.561 4.890 1.00 0.00 O ATOM 621 CB PHE A 40 -1.020 -4.700 2.318 1.00 0.00 C ATOM 622 CG PHE A 40 -1.455 -5.704 1.286 1.00 0.00 C ATOM 623 CD1 PHE A 40 -2.793 -5.845 0.956 1.00 0.00 C ATOM 624 CD2 PHE A 40 -0.523 -6.504 0.642 1.00 0.00 C ATOM 625 CE1 PHE A 40 -3.194 -6.764 0.004 1.00 0.00 C ATOM 626 CE2 PHE A 40 -0.918 -7.424 -0.312 1.00 0.00 C ATOM 627 CZ PHE A 40 -2.256 -7.554 -0.631 1.00 0.00 C ATOM 0 H PHE A 40 -0.226 -3.844 4.657 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.834 -4.518 3.436 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.132 -3.698 1.904 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.041 -4.843 2.524 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.532 -5.230 1.448 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.524 -6.407 0.889 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.241 -6.864 -0.243 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.182 -8.040 -0.807 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.568 -8.272 -1.375 1.00 0.00 H new ATOM 637 N TYR A 41 -2.763 -6.996 3.896 1.00 0.00 N ATOM 638 CA TYR A 41 -2.815 -8.369 4.384 1.00 0.00 C ATOM 639 C TYR A 41 -3.288 -9.329 3.298 1.00 0.00 C ATOM 640 O TYR A 41 -4.447 -9.291 2.886 1.00 0.00 O ATOM 641 CB TYR A 41 -3.743 -8.471 5.597 1.00 0.00 C ATOM 642 CG TYR A 41 -3.355 -7.566 6.744 1.00 0.00 C ATOM 643 CD1 TYR A 41 -2.044 -7.511 7.202 1.00 0.00 C ATOM 644 CD2 TYR A 41 -4.304 -6.768 7.371 1.00 0.00 C ATOM 645 CE1 TYR A 41 -1.691 -6.687 8.253 1.00 0.00 C ATOM 646 CE2 TYR A 41 -3.957 -5.941 8.423 1.00 0.00 C ATOM 647 CZ TYR A 41 -2.651 -5.904 8.859 1.00 0.00 C ATOM 648 OH TYR A 41 -2.303 -5.081 9.907 1.00 0.00 O ATOM 0 H TYR A 41 -3.559 -6.718 3.322 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.803 -8.651 4.676 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.759 -8.231 5.285 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.753 -9.503 5.949 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.290 -8.122 6.729 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.329 -6.794 7.031 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.668 -6.656 8.598 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.706 -5.327 8.901 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.345 -5.174 10.092 1.00 0.00 H new ATOM 658 N ALA A 42 -2.389 -10.197 2.851 1.00 0.00 N ATOM 659 CA ALA A 42 -2.717 -11.178 1.828 1.00 0.00 C ATOM 660 C ALA A 42 -1.975 -12.478 2.094 1.00 0.00 C ATOM 661 O ALA A 42 -0.772 -12.574 1.854 1.00 0.00 O ATOM 662 CB ALA A 42 -2.386 -10.654 0.439 1.00 0.00 C ATOM 0 H ALA A 42 -1.425 -10.240 3.183 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.790 -11.367 1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.642 -11.408 -0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.958 -9.746 0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.321 -10.431 0.378 1.00 0.00 H new ATOM 668 N LYS A 43 -2.686 -13.481 2.595 1.00 0.00 N ATOM 669 CA LYS A 43 -2.060 -14.757 2.886 1.00 0.00 C ATOM 670 C LYS A 43 -0.727 -14.505 3.607 1.00 0.00 C ATOM 671 O LYS A 43 -0.516 -13.407 4.122 1.00 0.00 O ATOM 672 CB LYS A 43 -1.893 -15.535 1.575 1.00 0.00 C ATOM 673 CG LYS A 43 -0.725 -15.066 0.726 1.00 0.00 C ATOM 674 CD LYS A 43 -0.187 -16.176 -0.159 1.00 0.00 C ATOM 675 CE LYS A 43 1.327 -16.268 -0.062 1.00 0.00 C ATOM 676 NZ LYS A 43 1.906 -17.096 -1.154 1.00 0.00 N ATOM 0 H LYS A 43 -3.683 -13.434 2.805 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.677 -15.364 3.549 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.761 -16.592 1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.811 -15.448 0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.041 -14.228 0.105 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.071 -14.700 1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.632 -17.127 0.134 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.478 -15.994 -1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.754 -15.266 -0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.603 -16.695 0.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.388 -17.922 -0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.146 -17.417 -1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.589 -16.529 -1.695 1.00 0.00 H new ATOM 690 N PRO A 44 0.192 -15.487 3.685 1.00 0.00 N ATOM 691 CA PRO A 44 1.473 -15.300 4.377 1.00 0.00 C ATOM 692 C PRO A 44 2.119 -13.939 4.114 1.00 0.00 C ATOM 693 O PRO A 44 2.939 -13.470 4.902 1.00 0.00 O ATOM 694 CB PRO A 44 2.330 -16.424 3.809 1.00 0.00 C ATOM 695 CG PRO A 44 1.358 -17.521 3.542 1.00 0.00 C ATOM 696 CD PRO A 44 0.070 -16.851 3.132 1.00 0.00 C ATOM 0 HA PRO A 44 1.353 -15.326 5.460 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.842 -16.114 2.898 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.099 -16.736 4.516 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.722 -18.180 2.754 1.00 0.00 H new ATOM 0 HG3 PRO A 44 1.211 -18.136 4.430 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.045 -16.835 2.048 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.798 -17.371 3.537 1.00 0.00 H new ATOM 704 N TYR A 45 1.748 -13.310 3.005 1.00 0.00 N ATOM 705 CA TYR A 45 2.291 -12.008 2.640 1.00 0.00 C ATOM 706 C TYR A 45 1.723 -10.906 3.527 1.00 0.00 C ATOM 707 O TYR A 45 0.509 -10.714 3.599 1.00 0.00 O ATOM 708 CB TYR A 45 1.982 -11.703 1.176 1.00 0.00 C ATOM 709 CG TYR A 45 2.535 -12.732 0.214 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.566 -13.583 0.596 1.00 0.00 C ATOM 711 CD2 TYR A 45 2.024 -12.857 -1.071 1.00 0.00 C ATOM 712 CE1 TYR A 45 4.072 -14.527 -0.277 1.00 0.00 C ATOM 713 CE2 TYR A 45 2.525 -13.798 -1.950 1.00 0.00 C ATOM 714 CZ TYR A 45 3.549 -14.631 -1.549 1.00 0.00 C ATOM 715 OH TYR A 45 4.048 -15.572 -2.421 1.00 0.00 O ATOM 0 H TYR A 45 1.070 -13.683 2.340 1.00 0.00 H new ATOM 0 HA TYR A 45 3.371 -12.041 2.784 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.902 -11.640 1.047 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.391 -10.725 0.923 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.978 -13.505 1.591 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.221 -12.208 -1.389 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.873 -15.180 0.035 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.117 -13.881 -2.946 1.00 0.00 H new ATOM 0 HH TYR A 45 4.583 -16.226 -1.925 1.00 0.00 H new ATOM 725 N PHE A 46 2.611 -10.178 4.196 1.00 0.00 N ATOM 726 CA PHE A 46 2.206 -9.088 5.074 1.00 0.00 C ATOM 727 C PHE A 46 2.999 -7.826 4.752 1.00 0.00 C ATOM 728 O PHE A 46 4.230 -7.847 4.736 1.00 0.00 O ATOM 729 CB PHE A 46 2.411 -9.483 6.538 1.00 0.00 C ATOM 730 CG PHE A 46 2.504 -8.313 7.473 1.00 0.00 C ATOM 731 CD1 PHE A 46 1.783 -7.155 7.230 1.00 0.00 C ATOM 732 CD2 PHE A 46 3.312 -8.371 8.596 1.00 0.00 C ATOM 733 CE1 PHE A 46 1.866 -6.077 8.090 1.00 0.00 C ATOM 734 CE2 PHE A 46 3.399 -7.297 9.461 1.00 0.00 C ATOM 735 CZ PHE A 46 2.675 -6.148 9.207 1.00 0.00 C ATOM 0 H PHE A 46 3.619 -10.325 4.146 1.00 0.00 H new ATOM 0 HA PHE A 46 1.147 -8.885 4.912 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.585 -10.122 6.851 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.322 -10.076 6.621 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.149 -7.094 6.358 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.881 -9.266 8.798 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.299 -5.180 7.889 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.032 -7.356 10.334 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.742 -5.307 9.881 1.00 0.00 H new ATOM 745 N LEU A 47 2.294 -6.732 4.483 1.00 0.00 N ATOM 746 CA LEU A 47 2.951 -5.472 4.152 1.00 0.00 C ATOM 747 C LEU A 47 2.534 -4.349 5.093 1.00 0.00 C ATOM 748 O LEU A 47 1.370 -3.959 5.136 1.00 0.00 O ATOM 749 CB LEU A 47 2.636 -5.066 2.711 1.00 0.00 C ATOM 750 CG LEU A 47 3.848 -4.974 1.782 1.00 0.00 C ATOM 751 CD1 LEU A 47 3.474 -4.264 0.490 1.00 0.00 C ATOM 752 CD2 LEU A 47 4.997 -4.255 2.474 1.00 0.00 C ATOM 0 H LEU A 47 1.275 -6.692 4.487 1.00 0.00 H new ATOM 0 HA LEU A 47 4.023 -5.632 4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.932 -5.785 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.134 -4.099 2.724 1.00 0.00 H new ATOM 0 HG LEU A 47 4.174 -5.985 1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.347 -4.207 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.682 -4.819 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.124 -3.257 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.851 -4.199 1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.684 -3.247 2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.281 -4.803 3.372 1.00 0.00 H new ATOM 764 N ARG A 48 3.504 -3.817 5.822 1.00 0.00 N ATOM 765 CA ARG A 48 3.258 -2.716 6.740 1.00 0.00 C ATOM 766 C ARG A 48 4.069 -1.504 6.296 1.00 0.00 C ATOM 767 O ARG A 48 5.299 -1.528 6.326 1.00 0.00 O ATOM 768 CB ARG A 48 3.634 -3.114 8.168 1.00 0.00 C ATOM 769 CG ARG A 48 3.475 -1.989 9.176 1.00 0.00 C ATOM 770 CD ARG A 48 4.816 -1.579 9.757 1.00 0.00 C ATOM 771 NE ARG A 48 5.312 -2.551 10.729 1.00 0.00 N ATOM 772 CZ ARG A 48 6.555 -2.552 11.199 1.00 0.00 C ATOM 773 NH1 ARG A 48 7.418 -1.628 10.799 1.00 0.00 N ATOM 774 NH2 ARG A 48 6.934 -3.475 12.071 1.00 0.00 N ATOM 0 H ARG A 48 4.474 -4.132 5.795 1.00 0.00 H new ATOM 0 HA ARG A 48 2.197 -2.467 6.727 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.015 -3.957 8.476 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.668 -3.457 8.180 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.006 -1.130 8.696 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.810 -2.308 9.979 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.542 -1.469 8.951 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.721 -0.604 10.235 1.00 0.00 H new ATOM 0 HE ARG A 48 4.669 -3.268 11.065 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.128 -0.915 10.130 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.372 -1.630 11.161 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.271 -4.185 12.382 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.888 -3.475 12.431 1.00 0.00 H new ATOM 788 N LEU A 49 3.380 -0.451 5.863 1.00 0.00 N ATOM 789 CA LEU A 49 4.057 0.752 5.390 1.00 0.00 C ATOM 790 C LEU A 49 3.601 1.996 6.144 1.00 0.00 C ATOM 791 O LEU A 49 2.406 2.238 6.306 1.00 0.00 O ATOM 792 CB LEU A 49 3.802 0.945 3.892 1.00 0.00 C ATOM 793 CG LEU A 49 4.337 -0.169 2.990 1.00 0.00 C ATOM 794 CD1 LEU A 49 4.277 0.253 1.530 1.00 0.00 C ATOM 795 CD2 LEU A 49 5.760 -0.535 3.380 1.00 0.00 C ATOM 0 H LEU A 49 2.362 -0.407 5.830 1.00 0.00 H new ATOM 0 HA LEU A 49 5.123 0.617 5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.728 1.036 3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.251 1.888 3.582 1.00 0.00 H new ATOM 0 HG LEU A 49 3.708 -1.049 3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.661 -0.551 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.244 0.466 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.883 1.148 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.123 -1.329 2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.402 0.340 3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.777 -0.879 4.414 1.00 0.00 H new ATOM 807 N THR A 50 4.570 2.791 6.586 1.00 0.00 N ATOM 808 CA THR A 50 4.284 4.025 7.305 1.00 0.00 C ATOM 809 C THR A 50 4.377 5.221 6.361 1.00 0.00 C ATOM 810 O THR A 50 5.468 5.619 5.954 1.00 0.00 O ATOM 811 CB THR A 50 5.258 4.231 8.481 1.00 0.00 C ATOM 812 OG1 THR A 50 5.428 3.024 9.235 1.00 0.00 O ATOM 813 CG2 THR A 50 4.755 5.316 9.419 1.00 0.00 C ATOM 0 H THR A 50 5.564 2.601 6.458 1.00 0.00 H new ATOM 0 HA THR A 50 3.272 3.945 7.702 1.00 0.00 H new ATOM 0 HB THR A 50 6.214 4.528 8.051 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.052 3.185 9.973 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.460 5.442 10.241 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.662 6.255 8.873 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.781 5.030 9.817 1.00 0.00 H new ATOM 821 N LEU A 51 3.224 5.781 6.007 1.00 0.00 N ATOM 822 CA LEU A 51 3.173 6.922 5.101 1.00 0.00 C ATOM 823 C LEU A 51 3.807 8.162 5.728 1.00 0.00 C ATOM 824 O LEU A 51 3.440 8.576 6.828 1.00 0.00 O ATOM 825 CB LEU A 51 1.724 7.220 4.706 1.00 0.00 C ATOM 826 CG LEU A 51 0.861 5.985 4.440 1.00 0.00 C ATOM 827 CD1 LEU A 51 -0.493 6.388 3.875 1.00 0.00 C ATOM 828 CD2 LEU A 51 1.574 5.032 3.491 1.00 0.00 C ATOM 0 H LEU A 51 2.312 5.462 6.335 1.00 0.00 H new ATOM 0 HA LEU A 51 3.745 6.664 4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.260 7.805 5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.727 7.842 3.811 1.00 0.00 H new ATOM 0 HG LEU A 51 0.697 5.471 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.091 5.495 3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.008 7.031 4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.351 6.927 2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.946 4.159 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.769 5.538 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.518 4.716 3.934 1.00 0.00 H new ATOM 840 N PRO A 52 4.773 8.771 5.023 1.00 0.00 N ATOM 841 CA PRO A 52 5.470 9.972 5.494 1.00 0.00 C ATOM 842 C PRO A 52 4.510 11.118 5.794 1.00 0.00 C ATOM 843 O PRO A 52 4.802 11.988 6.615 1.00 0.00 O ATOM 844 CB PRO A 52 6.387 10.345 4.324 1.00 0.00 C ATOM 845 CG PRO A 52 6.538 9.091 3.531 1.00 0.00 C ATOM 846 CD PRO A 52 5.255 8.331 3.706 1.00 0.00 C ATOM 0 HA PRO A 52 6.002 9.787 6.427 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.952 11.142 3.721 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.353 10.705 4.680 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.718 9.314 2.479 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.388 8.507 3.883 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.539 8.565 2.918 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.419 7.254 3.678 1.00 0.00 H new ATOM 854 N GLY A 53 3.364 11.113 5.122 1.00 0.00 N ATOM 855 CA GLY A 53 2.378 12.156 5.329 1.00 0.00 C ATOM 856 C GLY A 53 1.113 11.632 5.974 1.00 0.00 C ATOM 857 O GLY A 53 1.171 10.797 6.876 1.00 0.00 O ATOM 0 H GLY A 53 3.101 10.404 4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.806 12.938 5.956 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.132 12.615 4.372 1.00 0.00 H new ATOM 861 N ARG A 54 -0.035 12.125 5.519 1.00 0.00 N ATOM 862 CA ARG A 54 -1.315 11.698 6.071 1.00 0.00 C ATOM 863 C ARG A 54 -2.347 11.475 4.972 1.00 0.00 C ATOM 864 O ARG A 54 -2.584 12.352 4.140 1.00 0.00 O ATOM 865 CB ARG A 54 -1.838 12.736 7.063 1.00 0.00 C ATOM 866 CG ARG A 54 -0.863 13.057 8.185 1.00 0.00 C ATOM 867 CD ARG A 54 -1.553 13.779 9.330 1.00 0.00 C ATOM 868 NE ARG A 54 -0.929 15.066 9.618 1.00 0.00 N ATOM 869 CZ ARG A 54 -1.327 15.875 10.596 1.00 0.00 C ATOM 870 NH1 ARG A 54 -2.342 15.524 11.375 1.00 0.00 N ATOM 871 NH2 ARG A 54 -0.708 17.029 10.798 1.00 0.00 N ATOM 0 H ARG A 54 -0.105 12.817 4.773 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.153 10.752 6.587 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.073 13.654 6.524 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.770 12.374 7.497 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.413 12.135 8.553 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.053 13.675 7.799 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.603 13.932 9.082 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.524 13.154 10.223 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.144 15.362 9.037 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.817 14.634 11.224 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.647 16.144 12.125 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.075 17.299 10.203 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.015 17.648 11.549 1.00 0.00 H new ATOM 885 N ILE A 55 -2.973 10.303 4.987 1.00 0.00 N ATOM 886 CA ILE A 55 -3.997 9.971 4.006 1.00 0.00 C ATOM 887 C ILE A 55 -5.360 9.886 4.686 1.00 0.00 C ATOM 888 O ILE A 55 -5.531 9.151 5.658 1.00 0.00 O ATOM 889 CB ILE A 55 -3.684 8.630 3.312 1.00 0.00 C ATOM 890 CG1 ILE A 55 -2.396 8.747 2.494 1.00 0.00 C ATOM 891 CG2 ILE A 55 -4.840 8.192 2.423 1.00 0.00 C ATOM 892 CD1 ILE A 55 -2.413 9.890 1.502 1.00 0.00 C ATOM 0 H ILE A 55 -2.788 9.567 5.669 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.011 10.757 3.251 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.545 7.871 4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.554 8.879 3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.230 7.813 1.957 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.593 7.244 1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.738 8.071 3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.017 8.948 1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.469 9.913 0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.234 9.750 0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.548 10.832 2.034 1.00 0.00 H new ATOM 904 N VAL A 56 -6.317 10.669 4.197 1.00 0.00 N ATOM 905 CA VAL A 56 -7.650 10.702 4.793 1.00 0.00 C ATOM 906 C VAL A 56 -8.355 9.354 4.712 1.00 0.00 C ATOM 907 O VAL A 56 -8.021 8.509 3.882 1.00 0.00 O ATOM 908 CB VAL A 56 -8.537 11.772 4.130 1.00 0.00 C ATOM 909 CG1 VAL A 56 -8.468 11.662 2.616 1.00 0.00 C ATOM 910 CG2 VAL A 56 -9.973 11.652 4.618 1.00 0.00 C ATOM 0 H VAL A 56 -6.196 11.286 3.394 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.501 10.952 5.843 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.162 12.755 4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.102 12.427 2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.439 11.804 2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.814 10.676 2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.585 12.416 4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.362 10.665 4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.003 11.789 5.699 1.00 0.00 H new ATOM 920 N GLU A 57 -9.339 9.171 5.588 1.00 0.00 N ATOM 921 CA GLU A 57 -10.114 7.938 5.634 1.00 0.00 C ATOM 922 C GLU A 57 -11.601 8.232 5.463 1.00 0.00 C ATOM 923 O GLU A 57 -12.155 9.092 6.148 1.00 0.00 O ATOM 924 CB GLU A 57 -9.877 7.213 6.960 1.00 0.00 C ATOM 925 CG GLU A 57 -8.626 7.673 7.690 1.00 0.00 C ATOM 926 CD GLU A 57 -8.398 6.922 8.989 1.00 0.00 C ATOM 927 OE1 GLU A 57 -8.671 5.705 9.026 1.00 0.00 O ATOM 928 OE2 GLU A 57 -7.946 7.554 9.967 1.00 0.00 O ATOM 0 H GLU A 57 -9.619 9.867 6.279 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.788 7.298 4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.741 7.364 7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.804 6.142 6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.761 7.539 7.041 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.704 8.740 7.900 1.00 0.00 H new ATOM 935 N ASN A 58 -12.242 7.517 4.546 1.00 0.00 N ATOM 936 CA ASN A 58 -13.666 7.707 4.292 1.00 0.00 C ATOM 937 C ASN A 58 -14.238 6.550 3.480 1.00 0.00 C ATOM 938 O ASN A 58 -15.371 6.123 3.703 1.00 0.00 O ATOM 939 CB ASN A 58 -13.904 9.029 3.559 1.00 0.00 C ATOM 940 CG ASN A 58 -15.123 9.765 4.083 1.00 0.00 C ATOM 941 OD1 ASN A 58 -15.655 9.430 5.141 1.00 0.00 O ATOM 942 ND2 ASN A 58 -15.572 10.772 3.343 1.00 0.00 N ATOM 0 H ASN A 58 -11.801 6.802 3.967 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.178 7.736 5.254 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.025 9.664 3.665 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.030 8.834 2.494 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.389 11.302 3.645 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.100 11.015 2.472 1.00 0.00 H new ATOM 949 N GLY A 59 -13.448 6.045 2.538 1.00 0.00 N ATOM 950 CA GLY A 59 -13.896 4.940 1.712 1.00 0.00 C ATOM 951 C GLY A 59 -14.107 5.339 0.265 1.00 0.00 C ATOM 952 O GLY A 59 -14.641 4.561 -0.526 1.00 0.00 O ATOM 0 H GLY A 59 -12.507 6.381 2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.162 4.136 1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.828 4.545 2.115 1.00 0.00 H new ATOM 956 N SER A 60 -13.684 6.549 -0.087 1.00 0.00 N ATOM 957 CA SER A 60 -13.828 7.041 -1.452 1.00 0.00 C ATOM 958 C SER A 60 -12.536 6.832 -2.236 1.00 0.00 C ATOM 959 O SER A 60 -12.179 7.638 -3.094 1.00 0.00 O ATOM 960 CB SER A 60 -14.205 8.523 -1.449 1.00 0.00 C ATOM 961 OG SER A 60 -15.207 8.797 -2.414 1.00 0.00 O ATOM 0 H SER A 60 -13.239 7.206 0.554 1.00 0.00 H new ATOM 0 HA SER A 60 -14.625 6.477 -1.936 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.561 8.809 -0.459 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.321 9.127 -1.656 1.00 0.00 H new ATOM 0 HG SER A 60 -15.431 9.751 -2.391 1.00 0.00 H new ATOM 967 N GLU A 61 -11.841 5.742 -1.927 1.00 0.00 N ATOM 968 CA GLU A 61 -10.584 5.418 -2.594 1.00 0.00 C ATOM 969 C GLU A 61 -10.835 4.650 -3.888 1.00 0.00 C ATOM 970 O GLU A 61 -11.977 4.491 -4.316 1.00 0.00 O ATOM 971 CB GLU A 61 -9.687 4.593 -1.666 1.00 0.00 C ATOM 972 CG GLU A 61 -10.459 3.680 -0.727 1.00 0.00 C ATOM 973 CD GLU A 61 -9.584 2.610 -0.104 1.00 0.00 C ATOM 974 OE1 GLU A 61 -8.359 2.628 -0.347 1.00 0.00 O ATOM 975 OE2 GLU A 61 -10.125 1.753 0.627 1.00 0.00 O ATOM 0 H GLU A 61 -12.127 5.067 -1.218 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.082 6.354 -2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.010 3.990 -2.271 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.070 5.270 -1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.913 4.278 0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.273 3.205 -1.275 1.00 0.00 H new ATOM 982 N GLN A 62 -9.757 4.176 -4.505 1.00 0.00 N ATOM 983 CA GLN A 62 -9.860 3.423 -5.750 1.00 0.00 C ATOM 984 C GLN A 62 -9.022 2.149 -5.684 1.00 0.00 C ATOM 985 O GLN A 62 -7.813 2.200 -5.459 1.00 0.00 O ATOM 986 CB GLN A 62 -9.413 4.287 -6.932 1.00 0.00 C ATOM 987 CG GLN A 62 -10.466 5.288 -7.383 1.00 0.00 C ATOM 988 CD GLN A 62 -10.447 5.525 -8.881 1.00 0.00 C ATOM 989 OE1 GLN A 62 -9.784 4.806 -9.627 1.00 0.00 O ATOM 990 NE2 GLN A 62 -11.178 6.541 -9.328 1.00 0.00 N ATOM 0 H GLN A 62 -8.804 4.300 -4.164 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.903 3.142 -5.893 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.506 4.825 -6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.157 3.638 -7.770 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.452 4.929 -7.089 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.305 6.235 -6.868 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.713 7.112 -8.673 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.204 6.750 -10.326 1.00 0.00 H new ATOM 999 N GLY A 63 -9.676 1.007 -5.880 1.00 0.00 N ATOM 1000 CA GLY A 63 -8.977 -0.264 -5.837 1.00 0.00 C ATOM 1001 C GLY A 63 -9.147 -1.069 -7.110 1.00 0.00 C ATOM 1002 O GLY A 63 -10.255 -1.188 -7.635 1.00 0.00 O ATOM 0 H GLY A 63 -10.676 0.940 -6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.916 -0.085 -5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.343 -0.847 -4.992 1.00 0.00 H new ATOM 1006 N SER A 64 -8.046 -1.625 -7.607 1.00 0.00 N ATOM 1007 CA SER A 64 -8.071 -2.426 -8.825 1.00 0.00 C ATOM 1008 C SER A 64 -6.940 -3.449 -8.821 1.00 0.00 C ATOM 1009 O SER A 64 -5.770 -3.096 -8.974 1.00 0.00 O ATOM 1010 CB SER A 64 -7.952 -1.524 -10.055 1.00 0.00 C ATOM 1011 OG SER A 64 -8.700 -2.042 -11.142 1.00 0.00 O ATOM 0 H SER A 64 -7.123 -1.535 -7.183 1.00 0.00 H new ATOM 0 HA SER A 64 -9.022 -2.958 -8.864 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.306 -0.522 -9.811 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.905 -1.431 -10.342 1.00 0.00 H new ATOM 0 HG SER A 64 -8.609 -1.447 -11.915 1.00 0.00 H new ATOM 1017 N TYR A 65 -7.292 -4.718 -8.639 1.00 0.00 N ATOM 1018 CA TYR A 65 -6.301 -5.788 -8.611 1.00 0.00 C ATOM 1019 C TYR A 65 -6.357 -6.631 -9.881 1.00 0.00 C ATOM 1020 O TYR A 65 -7.436 -6.943 -10.386 1.00 0.00 O ATOM 1021 CB TYR A 65 -6.518 -6.684 -7.391 1.00 0.00 C ATOM 1022 CG TYR A 65 -5.791 -8.008 -7.483 1.00 0.00 C ATOM 1023 CD1 TYR A 65 -4.407 -8.069 -7.371 1.00 0.00 C ATOM 1024 CD2 TYR A 65 -6.486 -9.193 -7.689 1.00 0.00 C ATOM 1025 CE1 TYR A 65 -3.737 -9.273 -7.460 1.00 0.00 C ATOM 1026 CE2 TYR A 65 -5.823 -10.403 -7.779 1.00 0.00 C ATOM 1027 CZ TYR A 65 -4.449 -10.437 -7.664 1.00 0.00 C ATOM 1028 OH TYR A 65 -3.783 -11.638 -7.754 1.00 0.00 O ATOM 0 H TYR A 65 -8.254 -5.030 -8.509 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.317 -5.323 -8.549 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.185 -6.156 -6.497 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.585 -6.871 -7.272 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.846 -7.160 -7.212 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.562 -9.169 -7.780 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.661 -9.303 -7.370 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.378 -11.316 -7.938 1.00 0.00 H new ATOM 0 HH TYR A 65 -4.429 -12.361 -7.897 1.00 0.00 H new ATOM 1038 N ASP A 66 -5.185 -7.002 -10.385 1.00 0.00 N ATOM 1039 CA ASP A 66 -5.093 -7.818 -11.590 1.00 0.00 C ATOM 1040 C ASP A 66 -4.457 -9.168 -11.273 1.00 0.00 C ATOM 1041 O ASP A 66 -3.278 -9.243 -10.926 1.00 0.00 O ATOM 1042 CB ASP A 66 -4.283 -7.091 -12.666 1.00 0.00 C ATOM 1043 CG ASP A 66 -4.270 -7.839 -13.984 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -4.726 -9.001 -14.013 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -3.803 -7.262 -14.989 1.00 0.00 O ATOM 0 H ASP A 66 -4.285 -6.750 -9.977 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.101 -7.989 -11.968 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.700 -6.096 -12.820 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.259 -6.957 -12.317 1.00 0.00 H new ATOM 1050 N ALA A 67 -5.249 -10.229 -11.385 1.00 0.00 N ATOM 1051 CA ALA A 67 -4.768 -11.576 -11.101 1.00 0.00 C ATOM 1052 C ALA A 67 -3.812 -12.063 -12.183 1.00 0.00 C ATOM 1053 O ALA A 67 -2.694 -12.485 -11.891 1.00 0.00 O ATOM 1054 CB ALA A 67 -5.931 -12.545 -10.953 1.00 0.00 C ATOM 0 H ALA A 67 -6.227 -10.182 -11.671 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.223 -11.538 -10.158 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.548 -13.543 -10.742 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.572 -12.221 -10.133 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.507 -12.566 -11.878 1.00 0.00 H new ATOM 1060 N ASP A 68 -4.259 -12.007 -13.433 1.00 0.00 N ATOM 1061 CA ASP A 68 -3.438 -12.446 -14.553 1.00 0.00 C ATOM 1062 C ASP A 68 -2.085 -11.742 -14.542 1.00 0.00 C ATOM 1063 O ASP A 68 -1.045 -12.372 -14.733 1.00 0.00 O ATOM 1064 CB ASP A 68 -4.156 -12.182 -15.877 1.00 0.00 C ATOM 1065 CG ASP A 68 -3.403 -12.743 -17.067 1.00 0.00 C ATOM 1066 OD1 ASP A 68 -2.876 -13.871 -16.959 1.00 0.00 O ATOM 1067 OD2 ASP A 68 -3.340 -12.055 -18.108 1.00 0.00 O ATOM 0 H ASP A 68 -5.183 -11.663 -13.695 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.270 -13.518 -14.450 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.152 -12.623 -15.841 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.287 -11.108 -16.008 1.00 0.00 H new ATOM 1072 N LYS A 69 -2.107 -10.434 -14.310 1.00 0.00 N ATOM 1073 CA LYS A 69 -0.880 -9.649 -14.268 1.00 0.00 C ATOM 1074 C LYS A 69 -0.247 -9.712 -12.883 1.00 0.00 C ATOM 1075 O LYS A 69 0.967 -9.567 -12.736 1.00 0.00 O ATOM 1076 CB LYS A 69 -1.166 -8.194 -14.647 1.00 0.00 C ATOM 1077 CG LYS A 69 0.069 -7.309 -14.642 1.00 0.00 C ATOM 1078 CD LYS A 69 -0.179 -6.008 -15.387 1.00 0.00 C ATOM 1079 CE LYS A 69 -1.029 -5.052 -14.566 1.00 0.00 C ATOM 1080 NZ LYS A 69 -1.427 -3.849 -15.345 1.00 0.00 N ATOM 0 H LYS A 69 -2.959 -9.897 -14.149 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.180 -10.072 -14.989 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.617 -8.168 -15.639 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.899 -7.784 -13.952 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.359 -7.092 -13.614 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.902 -7.841 -15.102 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.774 -5.536 -15.626 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.677 -6.218 -16.334 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.923 -5.570 -14.217 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.474 -4.743 -13.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.005 -3.224 -14.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.575 -3.340 -15.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.979 -4.141 -16.177 1.00 0.00 H new ATOM 1094 N GLY A 70 -1.077 -9.935 -11.869 1.00 0.00 N ATOM 1095 CA GLY A 70 -0.580 -10.020 -10.508 1.00 0.00 C ATOM 1096 C GLY A 70 -0.100 -8.683 -9.977 1.00 0.00 C ATOM 1097 O GLY A 70 1.082 -8.517 -9.675 1.00 0.00 O ATOM 0 H GLY A 70 -2.085 -10.058 -11.966 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.369 -10.402 -9.860 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.240 -10.738 -10.469 1.00 0.00 H new ATOM 1101 N ILE A 71 -1.016 -7.725 -9.863 1.00 0.00 N ATOM 1102 CA ILE A 71 -0.672 -6.399 -9.366 1.00 0.00 C ATOM 1103 C ILE A 71 -1.878 -5.702 -8.738 1.00 0.00 C ATOM 1104 O ILE A 71 -2.883 -5.459 -9.406 1.00 0.00 O ATOM 1105 CB ILE A 71 -0.114 -5.505 -10.489 1.00 0.00 C ATOM 1106 CG1 ILE A 71 1.124 -6.145 -11.118 1.00 0.00 C ATOM 1107 CG2 ILE A 71 0.216 -4.124 -9.947 1.00 0.00 C ATOM 1108 CD1 ILE A 71 1.953 -5.176 -11.931 1.00 0.00 C ATOM 0 H ILE A 71 -1.999 -7.843 -10.108 1.00 0.00 H new ATOM 0 HA ILE A 71 0.094 -6.545 -8.604 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.876 -5.401 -11.262 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.745 -6.570 -10.329 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.812 -6.971 -11.758 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.610 -3.502 -10.751 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.687 -3.666 -9.543 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.963 -4.212 -9.158 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.815 -5.696 -12.348 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.347 -4.770 -12.741 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.295 -4.363 -11.290 1.00 0.00 H new ATOM 1120 N PHE A 72 -1.765 -5.375 -7.454 1.00 0.00 N ATOM 1121 CA PHE A 72 -2.839 -4.695 -6.738 1.00 0.00 C ATOM 1122 C PHE A 72 -2.513 -3.214 -6.567 1.00 0.00 C ATOM 1123 O PHE A 72 -1.620 -2.848 -5.804 1.00 0.00 O ATOM 1124 CB PHE A 72 -3.067 -5.342 -5.370 1.00 0.00 C ATOM 1125 CG PHE A 72 -3.969 -4.545 -4.470 1.00 0.00 C ATOM 1126 CD1 PHE A 72 -5.232 -4.163 -4.894 1.00 0.00 C ATOM 1127 CD2 PHE A 72 -3.552 -4.178 -3.201 1.00 0.00 C ATOM 1128 CE1 PHE A 72 -6.063 -3.429 -4.067 1.00 0.00 C ATOM 1129 CE2 PHE A 72 -4.378 -3.444 -2.370 1.00 0.00 C ATOM 1130 CZ PHE A 72 -5.635 -3.069 -2.805 1.00 0.00 C ATOM 0 H PHE A 72 -0.939 -5.570 -6.888 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.752 -4.788 -7.326 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.495 -6.334 -5.513 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.104 -5.479 -4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.571 -4.441 -5.881 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.570 -4.469 -2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -7.045 -3.138 -4.408 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.041 -3.164 -1.383 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.282 -2.495 -2.158 1.00 0.00 H new ATOM 1140 N THR A 73 -3.240 -2.366 -7.286 1.00 0.00 N ATOM 1141 CA THR A 73 -3.026 -0.925 -7.219 1.00 0.00 C ATOM 1142 C THR A 73 -4.237 -0.218 -6.615 1.00 0.00 C ATOM 1143 O THR A 73 -5.351 -0.340 -7.123 1.00 0.00 O ATOM 1144 CB THR A 73 -2.746 -0.338 -8.616 1.00 0.00 C ATOM 1145 OG1 THR A 73 -1.567 -0.910 -9.198 1.00 0.00 O ATOM 1146 CG2 THR A 73 -2.564 1.166 -8.540 1.00 0.00 C ATOM 0 H THR A 73 -3.984 -2.652 -7.923 1.00 0.00 H new ATOM 0 HA THR A 73 -2.158 -0.760 -6.581 1.00 0.00 H new ATOM 0 HB THR A 73 -3.607 -0.578 -9.240 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.417 -0.519 -10.084 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.367 1.560 -9.537 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.470 1.623 -8.142 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.723 1.398 -7.886 1.00 0.00 H new ATOM 1154 N ILE A 74 -4.019 0.506 -5.520 1.00 0.00 N ATOM 1155 CA ILE A 74 -5.107 1.212 -4.848 1.00 0.00 C ATOM 1156 C ILE A 74 -4.742 2.663 -4.533 1.00 0.00 C ATOM 1157 O ILE A 74 -3.772 2.931 -3.824 1.00 0.00 O ATOM 1158 CB ILE A 74 -5.500 0.502 -3.539 1.00 0.00 C ATOM 1159 CG1 ILE A 74 -6.676 1.218 -2.872 1.00 0.00 C ATOM 1160 CG2 ILE A 74 -4.309 0.433 -2.595 1.00 0.00 C ATOM 1161 CD1 ILE A 74 -7.871 0.322 -2.633 1.00 0.00 C ATOM 0 H ILE A 74 -3.105 0.619 -5.081 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.951 1.207 -5.538 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.810 -0.516 -3.777 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.346 1.632 -1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.981 2.058 -3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.603 -0.072 -1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.500 -0.121 -3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.970 1.443 -2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.667 0.896 -2.158 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.227 -0.072 -3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.582 -0.505 -1.984 1.00 0.00 H new ATOM 1173 N ARG A 75 -5.531 3.595 -5.066 1.00 0.00 N ATOM 1174 CA ARG A 75 -5.303 5.023 -4.844 1.00 0.00 C ATOM 1175 C ARG A 75 -6.003 5.498 -3.575 1.00 0.00 C ATOM 1176 O ARG A 75 -7.086 5.023 -3.236 1.00 0.00 O ATOM 1177 CB ARG A 75 -5.797 5.823 -6.051 1.00 0.00 C ATOM 1178 CG ARG A 75 -5.174 5.378 -7.366 1.00 0.00 C ATOM 1179 CD ARG A 75 -6.234 5.017 -8.397 1.00 0.00 C ATOM 1180 NE ARG A 75 -6.179 3.606 -8.773 1.00 0.00 N ATOM 1181 CZ ARG A 75 -6.734 3.118 -9.879 1.00 0.00 C ATOM 1182 NH1 ARG A 75 -7.363 3.927 -10.720 1.00 0.00 N ATOM 1183 NH2 ARG A 75 -6.654 1.822 -10.149 1.00 0.00 N ATOM 0 H ARG A 75 -6.336 3.386 -5.656 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.232 5.185 -4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.881 5.730 -6.121 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.578 6.879 -5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.542 6.175 -7.758 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.529 4.517 -7.190 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.221 5.246 -7.996 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.099 5.634 -9.286 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.689 2.960 -8.154 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.422 4.925 -10.519 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.788 3.551 -11.568 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.166 1.197 -9.508 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.081 1.451 -10.998 1.00 0.00 H new ATOM 1197 N LEU A 76 -5.367 6.430 -2.866 1.00 0.00 N ATOM 1198 CA LEU A 76 -5.921 6.957 -1.624 1.00 0.00 C ATOM 1199 C LEU A 76 -5.845 8.487 -1.578 1.00 0.00 C ATOM 1200 O LEU A 76 -4.950 9.091 -2.169 1.00 0.00 O ATOM 1201 CB LEU A 76 -5.171 6.355 -0.436 1.00 0.00 C ATOM 1202 CG LEU A 76 -4.920 4.848 -0.528 1.00 0.00 C ATOM 1203 CD1 LEU A 76 -3.837 4.427 0.449 1.00 0.00 C ATOM 1204 CD2 LEU A 76 -6.206 4.077 -0.266 1.00 0.00 C ATOM 0 H LEU A 76 -4.469 6.834 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.974 6.679 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.212 6.863 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.736 6.559 0.473 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.579 4.617 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.673 3.352 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.912 4.954 0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.148 4.672 1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.009 3.007 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.576 4.314 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.955 4.357 -1.006 1.00 0.00 H new ATOM 1216 N PRO A 77 -6.792 9.130 -0.867 1.00 0.00 N ATOM 1217 CA PRO A 77 -6.844 10.584 -0.734 1.00 0.00 C ATOM 1218 C PRO A 77 -5.987 11.097 0.425 1.00 0.00 C ATOM 1219 O PRO A 77 -5.685 10.361 1.364 1.00 0.00 O ATOM 1220 CB PRO A 77 -8.328 10.863 -0.476 1.00 0.00 C ATOM 1221 CG PRO A 77 -8.938 9.565 -0.027 1.00 0.00 C ATOM 1222 CD PRO A 77 -7.886 8.486 -0.135 1.00 0.00 C ATOM 0 HA PRO A 77 -6.450 11.089 -1.616 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.451 11.633 0.286 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.816 11.228 -1.379 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.294 9.647 1.000 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.801 9.317 -0.644 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.562 8.145 0.848 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.263 7.613 -0.667 1.00 0.00 H new ATOM 1230 N LYS A 78 -5.601 12.368 0.357 1.00 0.00 N ATOM 1231 CA LYS A 78 -4.777 12.970 1.400 1.00 0.00 C ATOM 1232 C LYS A 78 -5.608 13.831 2.347 1.00 0.00 C ATOM 1233 O LYS A 78 -6.681 14.314 1.986 1.00 0.00 O ATOM 1234 CB LYS A 78 -3.666 13.815 0.770 1.00 0.00 C ATOM 1235 CG LYS A 78 -2.490 12.996 0.267 1.00 0.00 C ATOM 1236 CD LYS A 78 -2.097 13.396 -1.146 1.00 0.00 C ATOM 1237 CE LYS A 78 -0.795 14.180 -1.158 1.00 0.00 C ATOM 1238 NZ LYS A 78 -0.987 15.589 -0.719 1.00 0.00 N ATOM 0 H LYS A 78 -5.845 12.999 -0.407 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.335 12.161 1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.082 14.386 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.308 14.536 1.505 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.639 13.131 0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.747 11.937 0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.992 12.503 -1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.890 13.998 -1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.072 13.692 -0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.374 14.168 -2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.113 16.127 -0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.766 16.018 -1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.217 15.608 0.295 1.00 0.00 H new ATOM 1252 N GLU A 79 -5.095 14.022 3.559 1.00 0.00 N ATOM 1253 CA GLU A 79 -5.773 14.829 4.565 1.00 0.00 C ATOM 1254 C GLU A 79 -5.335 16.288 4.477 1.00 0.00 C ATOM 1255 O GLU A 79 -5.877 17.153 5.167 1.00 0.00 O ATOM 1256 CB GLU A 79 -5.483 14.279 5.963 1.00 0.00 C ATOM 1257 CG GLU A 79 -6.035 15.141 7.086 1.00 0.00 C ATOM 1258 CD GLU A 79 -5.958 14.456 8.437 1.00 0.00 C ATOM 1259 OE1 GLU A 79 -5.803 13.217 8.467 1.00 0.00 O ATOM 1260 OE2 GLU A 79 -6.054 15.159 9.466 1.00 0.00 O ATOM 0 H GLU A 79 -4.207 13.626 3.868 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.845 14.780 4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.906 13.278 6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.405 14.181 6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.481 16.079 7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.073 15.393 6.869 1.00 0.00 H new ATOM 1267 N THR A 80 -4.351 16.555 3.623 1.00 0.00 N ATOM 1268 CA THR A 80 -3.836 17.906 3.439 1.00 0.00 C ATOM 1269 C THR A 80 -3.167 18.045 2.074 1.00 0.00 C ATOM 1270 O THR A 80 -1.969 17.804 1.928 1.00 0.00 O ATOM 1271 CB THR A 80 -2.827 18.278 4.545 1.00 0.00 C ATOM 1272 OG1 THR A 80 -3.493 18.555 5.782 1.00 0.00 O ATOM 1273 CG2 THR A 80 -2.012 19.503 4.158 1.00 0.00 C ATOM 0 H THR A 80 -3.893 15.849 3.046 1.00 0.00 H new ATOM 0 HA THR A 80 -4.684 18.588 3.498 1.00 0.00 H new ATOM 0 HB THR A 80 -2.166 17.420 4.667 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.419 18.238 5.733 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.310 19.740 4.957 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.461 19.298 3.240 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.680 20.349 3.999 1.00 0.00 H new ATOM 1281 N PRO A 81 -3.945 18.434 1.053 1.00 0.00 N ATOM 1282 CA PRO A 81 -3.444 18.602 -0.313 1.00 0.00 C ATOM 1283 C PRO A 81 -2.102 19.324 -0.369 1.00 0.00 C ATOM 1284 O PRO A 81 -1.769 20.112 0.517 1.00 0.00 O ATOM 1285 CB PRO A 81 -4.532 19.444 -0.974 1.00 0.00 C ATOM 1286 CG PRO A 81 -5.784 19.059 -0.265 1.00 0.00 C ATOM 1287 CD PRO A 81 -5.387 18.733 1.152 1.00 0.00 C ATOM 0 HA PRO A 81 -3.260 17.644 -0.800 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.328 20.510 -0.869 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.601 19.236 -2.042 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.509 19.872 -0.288 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.253 18.200 -0.744 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.577 19.570 1.823 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.947 17.881 1.539 1.00 0.00 H new ATOM 1295 N GLY A 82 -1.338 19.051 -1.422 1.00 0.00 N ATOM 1296 CA GLY A 82 -0.042 19.680 -1.587 1.00 0.00 C ATOM 1297 C GLY A 82 1.074 18.923 -0.892 1.00 0.00 C ATOM 1298 O GLY A 82 2.252 19.206 -1.109 1.00 0.00 O ATOM 0 H GLY A 82 -1.595 18.403 -2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.186 19.758 -2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.084 20.696 -1.195 1.00 0.00 H new ATOM 1302 N GLN A 83 0.704 17.956 -0.059 1.00 0.00 N ATOM 1303 CA GLN A 83 1.684 17.155 0.663 1.00 0.00 C ATOM 1304 C GLN A 83 2.233 16.044 -0.227 1.00 0.00 C ATOM 1305 O GLN A 83 1.481 15.386 -0.946 1.00 0.00 O ATOM 1306 CB GLN A 83 1.051 16.557 1.922 1.00 0.00 C ATOM 1307 CG GLN A 83 2.036 16.325 3.058 1.00 0.00 C ATOM 1308 CD GLN A 83 3.072 17.425 3.174 1.00 0.00 C ATOM 1309 OE1 GLN A 83 2.753 18.561 3.526 1.00 0.00 O ATOM 1310 NE2 GLN A 83 4.324 17.093 2.877 1.00 0.00 N ATOM 0 H GLN A 83 -0.267 17.709 0.132 1.00 0.00 H new ATOM 0 HA GLN A 83 2.511 17.803 0.955 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.261 17.222 2.270 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.579 15.609 1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.488 16.248 3.997 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.541 15.371 2.905 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.544 16.139 2.590 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.065 17.792 2.937 1.00 0.00 H new ATOM 1319 N HIS A 84 3.545 15.839 -0.174 1.00 0.00 N ATOM 1320 CA HIS A 84 4.191 14.806 -0.977 1.00 0.00 C ATOM 1321 C HIS A 84 5.014 13.873 -0.099 1.00 0.00 C ATOM 1322 O HIS A 84 5.979 14.295 0.538 1.00 0.00 O ATOM 1323 CB HIS A 84 5.088 15.437 -2.044 1.00 0.00 C ATOM 1324 CG HIS A 84 5.132 14.658 -3.322 1.00 0.00 C ATOM 1325 ND1 HIS A 84 6.208 13.877 -3.692 1.00 0.00 N ATOM 1326 CD2 HIS A 84 4.224 14.538 -4.319 1.00 0.00 C ATOM 1327 CE1 HIS A 84 5.960 13.312 -4.860 1.00 0.00 C ATOM 1328 NE2 HIS A 84 4.762 13.696 -5.261 1.00 0.00 N ATOM 0 H HIS A 84 4.182 16.374 0.416 1.00 0.00 H new ATOM 0 HA HIS A 84 3.409 14.226 -1.468 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.734 16.446 -2.255 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.100 15.530 -1.649 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.256 15.016 -4.365 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.624 12.649 -5.395 1.00 0.00 H new ATOM 0 HE2 HIS A 84 4.309 13.413 -6.130 1.00 0.00 H new ATOM 1337 N PHE A 85 4.627 12.603 -0.070 1.00 0.00 N ATOM 1338 CA PHE A 85 5.328 11.612 0.726 1.00 0.00 C ATOM 1339 C PHE A 85 6.686 11.294 0.110 1.00 0.00 C ATOM 1340 O PHE A 85 6.791 10.463 -0.790 1.00 0.00 O ATOM 1341 CB PHE A 85 4.489 10.340 0.833 1.00 0.00 C ATOM 1342 CG PHE A 85 3.095 10.571 1.354 1.00 0.00 C ATOM 1343 CD1 PHE A 85 2.688 11.834 1.757 1.00 0.00 C ATOM 1344 CD2 PHE A 85 2.190 9.523 1.434 1.00 0.00 C ATOM 1345 CE1 PHE A 85 1.405 12.046 2.229 1.00 0.00 C ATOM 1346 CE2 PHE A 85 0.907 9.731 1.906 1.00 0.00 C ATOM 1347 CZ PHE A 85 0.515 10.994 2.302 1.00 0.00 C ATOM 0 H PHE A 85 3.829 12.238 -0.591 1.00 0.00 H new ATOM 0 HA PHE A 85 5.488 12.018 1.725 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.426 9.874 -0.150 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.999 9.634 1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.380 12.661 1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.491 8.533 1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.100 13.034 2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.212 8.906 1.965 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.487 11.159 2.669 1.00 0.00 H new ATOM 1357 N GLU A 86 7.718 11.982 0.580 1.00 0.00 N ATOM 1358 CA GLU A 86 9.069 11.796 0.061 1.00 0.00 C ATOM 1359 C GLU A 86 9.711 10.502 0.562 1.00 0.00 C ATOM 1360 O GLU A 86 9.161 9.799 1.411 1.00 0.00 O ATOM 1361 CB GLU A 86 9.947 12.991 0.438 1.00 0.00 C ATOM 1362 CG GLU A 86 10.343 13.851 -0.752 1.00 0.00 C ATOM 1363 CD GLU A 86 11.843 14.029 -0.874 1.00 0.00 C ATOM 1364 OE1 GLU A 86 12.404 14.872 -0.141 1.00 0.00 O ATOM 1365 OE2 GLU A 86 12.459 13.327 -1.703 1.00 0.00 O ATOM 0 H GLU A 86 7.646 12.677 1.323 1.00 0.00 H new ATOM 0 HA GLU A 86 8.990 11.723 -1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.415 13.609 1.162 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.849 12.628 0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.960 13.397 -1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.872 14.830 -0.660 1.00 0.00 H new ATOM 1372 N GLY A 87 10.895 10.222 0.029 1.00 0.00 N ATOM 1373 CA GLY A 87 11.658 9.044 0.405 1.00 0.00 C ATOM 1374 C GLY A 87 10.816 7.812 0.697 1.00 0.00 C ATOM 1375 O GLY A 87 11.158 7.028 1.583 1.00 0.00 O ATOM 0 H GLY A 87 11.349 10.805 -0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.357 8.808 -0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.253 9.279 1.287 1.00 0.00 H new ATOM 1379 N LEU A 88 9.727 7.623 -0.042 1.00 0.00 N ATOM 1380 CA LEU A 88 8.876 6.457 0.171 1.00 0.00 C ATOM 1381 C LEU A 88 9.677 5.174 -0.024 1.00 0.00 C ATOM 1382 O LEU A 88 9.855 4.393 0.912 1.00 0.00 O ATOM 1383 CB LEU A 88 7.708 6.471 -0.807 1.00 0.00 C ATOM 1384 CG LEU A 88 6.575 7.437 -0.464 1.00 0.00 C ATOM 1385 CD1 LEU A 88 5.513 7.418 -1.552 1.00 0.00 C ATOM 1386 CD2 LEU A 88 5.966 7.084 0.885 1.00 0.00 C ATOM 0 H LEU A 88 9.416 8.252 -0.783 1.00 0.00 H new ATOM 0 HA LEU A 88 8.495 6.494 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.089 6.722 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.297 5.463 -0.869 1.00 0.00 H new ATOM 0 HG LEU A 88 6.986 8.445 -0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.713 8.112 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.959 7.717 -2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.105 6.412 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.161 7.782 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.569 6.070 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.732 7.148 1.658 1.00 0.00 H new ATOM 1398 N ASN A 89 10.167 4.965 -1.246 1.00 0.00 N ATOM 1399 CA ASN A 89 10.958 3.784 -1.567 1.00 0.00 C ATOM 1400 C ASN A 89 12.439 4.044 -1.306 1.00 0.00 C ATOM 1401 O ASN A 89 13.295 3.229 -1.648 1.00 0.00 O ATOM 1402 CB ASN A 89 10.747 3.391 -3.029 1.00 0.00 C ATOM 1403 CG ASN A 89 10.744 1.889 -3.233 1.00 0.00 C ATOM 1404 OD1 ASN A 89 10.827 1.121 -2.274 1.00 0.00 O ATOM 1405 ND2 ASN A 89 10.649 1.463 -4.487 1.00 0.00 N ATOM 0 H ASN A 89 10.028 5.602 -2.030 1.00 0.00 H new ATOM 0 HA ASN A 89 10.630 2.965 -0.927 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.801 3.804 -3.380 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.534 3.835 -3.638 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.643 0.463 -4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.582 2.136 -5.251 1.00 0.00 H new ATOM 1412 N MET A 90 12.725 5.178 -0.676 1.00 0.00 N ATOM 1413 CA MET A 90 14.091 5.550 -0.337 1.00 0.00 C ATOM 1414 C MET A 90 14.224 5.666 1.176 1.00 0.00 C ATOM 1415 O MET A 90 15.159 6.276 1.692 1.00 0.00 O ATOM 1416 CB MET A 90 14.470 6.873 -1.002 1.00 0.00 C ATOM 1417 CG MET A 90 14.458 6.814 -2.521 1.00 0.00 C ATOM 1418 SD MET A 90 13.167 7.843 -3.247 1.00 0.00 S ATOM 1419 CE MET A 90 12.082 6.591 -3.928 1.00 0.00 C ATOM 0 H MET A 90 12.022 5.859 -0.389 1.00 0.00 H new ATOM 0 HA MET A 90 14.769 4.779 -0.703 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.779 7.648 -0.671 1.00 0.00 H new ATOM 0 HB3 MET A 90 15.464 7.168 -0.666 1.00 0.00 H new ATOM 0 HG2 MET A 90 15.428 7.134 -2.901 1.00 0.00 H new ATOM 0 HG3 MET A 90 14.316 5.781 -2.839 1.00 0.00 H new ATOM 0 HE1 MET A 90 11.343 7.063 -4.575 1.00 0.00 H new ATOM 0 HE2 MET A 90 12.668 5.877 -4.507 1.00 0.00 H new ATOM 0 HE3 MET A 90 11.574 6.070 -3.117 1.00 0.00 H new ATOM 1429 N LEU A 91 13.262 5.071 1.873 1.00 0.00 N ATOM 1430 CA LEU A 91 13.225 5.088 3.324 1.00 0.00 C ATOM 1431 C LEU A 91 13.957 3.877 3.895 1.00 0.00 C ATOM 1432 O LEU A 91 14.452 3.036 3.147 1.00 0.00 O ATOM 1433 CB LEU A 91 11.772 5.111 3.796 1.00 0.00 C ATOM 1434 CG LEU A 91 11.361 6.384 4.530 1.00 0.00 C ATOM 1435 CD1 LEU A 91 9.942 6.263 5.060 1.00 0.00 C ATOM 1436 CD2 LEU A 91 12.332 6.688 5.660 1.00 0.00 C ATOM 0 H LEU A 91 12.487 4.564 1.444 1.00 0.00 H new ATOM 0 HA LEU A 91 13.731 5.984 3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.121 4.980 2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.604 4.258 4.454 1.00 0.00 H new ATOM 0 HG LEU A 91 11.391 7.212 3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.668 7.181 5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.256 6.098 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 91 9.882 5.423 5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 91 12.022 7.599 6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 91 12.338 5.859 6.368 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.334 6.824 5.252 1.00 0.00 H new ATOM 1448 N THR A 92 14.018 3.787 5.220 1.00 0.00 N ATOM 1449 CA THR A 92 14.684 2.671 5.879 1.00 0.00 C ATOM 1450 C THR A 92 13.818 2.126 7.006 1.00 0.00 C ATOM 1451 O THR A 92 12.772 2.692 7.323 1.00 0.00 O ATOM 1452 CB THR A 92 16.048 3.091 6.458 1.00 0.00 C ATOM 1453 OG1 THR A 92 15.908 4.143 7.421 1.00 0.00 O ATOM 1454 CG2 THR A 92 16.978 3.568 5.355 1.00 0.00 C ATOM 0 H THR A 92 13.614 4.474 5.857 1.00 0.00 H new ATOM 0 HA THR A 92 14.843 1.899 5.126 1.00 0.00 H new ATOM 0 HB THR A 92 16.469 2.212 6.945 1.00 0.00 H new ATOM 0 HG1 THR A 92 16.791 4.386 7.771 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.935 3.860 5.787 1.00 0.00 H new ATOM 0 HG22 THR A 92 17.134 2.763 4.637 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.533 4.424 4.849 1.00 0.00 H new ATOM 1462 N ALA A 93 14.253 1.029 7.614 1.00 0.00 N ATOM 1463 CA ALA A 93 13.503 0.425 8.707 1.00 0.00 C ATOM 1464 C ALA A 93 13.968 0.973 10.051 1.00 0.00 C ATOM 1465 O ALA A 93 15.168 1.076 10.309 1.00 0.00 O ATOM 1466 CB ALA A 93 13.630 -1.091 8.683 1.00 0.00 C ATOM 0 H ALA A 93 15.116 0.542 7.370 1.00 0.00 H new ATOM 0 HA ALA A 93 12.453 0.683 8.572 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.061 -1.517 9.509 1.00 0.00 H new ATOM 0 HB2 ALA A 93 13.241 -1.474 7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.679 -1.370 8.783 1.00 0.00 H new ATOM 1472 N LEU A 94 13.012 1.315 10.908 1.00 0.00 N ATOM 1473 CA LEU A 94 13.328 1.842 12.230 1.00 0.00 C ATOM 1474 C LEU A 94 12.675 1.006 13.321 1.00 0.00 C ATOM 1475 O LEU A 94 11.465 0.784 13.306 1.00 0.00 O ATOM 1476 CB LEU A 94 12.880 3.298 12.354 1.00 0.00 C ATOM 1477 CG LEU A 94 11.408 3.557 12.038 1.00 0.00 C ATOM 1478 CD1 LEU A 94 10.593 3.624 13.321 1.00 0.00 C ATOM 1479 CD2 LEU A 94 11.254 4.841 11.239 1.00 0.00 C ATOM 0 H LEU A 94 12.014 1.237 10.711 1.00 0.00 H new ATOM 0 HA LEU A 94 14.410 1.794 12.355 1.00 0.00 H new ATOM 0 HB2 LEU A 94 13.082 3.638 13.370 1.00 0.00 H new ATOM 0 HB3 LEU A 94 13.490 3.907 11.687 1.00 0.00 H new ATOM 0 HG LEU A 94 11.033 2.730 11.435 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.547 3.809 13.078 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.679 2.679 13.857 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.968 4.432 13.949 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.199 5.010 11.022 1.00 0.00 H new ATOM 0 HD22 LEU A 94 11.645 5.678 11.817 1.00 0.00 H new ATOM 0 HD23 LEU A 94 11.807 4.756 10.304 1.00 0.00 H new ATOM 1491 N LEU A 95 13.483 0.545 14.267 1.00 0.00 N ATOM 1492 CA LEU A 95 12.980 -0.265 15.365 1.00 0.00 C ATOM 1493 C LEU A 95 12.747 0.586 16.608 1.00 0.00 C ATOM 1494 O LEU A 95 13.691 1.097 17.211 1.00 0.00 O ATOM 1495 CB LEU A 95 13.961 -1.397 15.676 1.00 0.00 C ATOM 1496 CG LEU A 95 13.651 -2.730 14.989 1.00 0.00 C ATOM 1497 CD1 LEU A 95 12.890 -2.504 13.690 1.00 0.00 C ATOM 1498 CD2 LEU A 95 14.933 -3.505 14.727 1.00 0.00 C ATOM 0 H LEU A 95 14.488 0.719 14.295 1.00 0.00 H new ATOM 0 HA LEU A 95 12.025 -0.695 15.063 1.00 0.00 H new ATOM 0 HB2 LEU A 95 14.962 -1.080 15.385 1.00 0.00 H new ATOM 0 HB3 LEU A 95 13.978 -1.557 16.754 1.00 0.00 H new ATOM 0 HG LEU A 95 13.021 -3.319 15.656 1.00 0.00 H new ATOM 0 HD11 LEU A 95 12.681 -3.465 13.219 1.00 0.00 H new ATOM 0 HD12 LEU A 95 11.952 -1.992 13.902 1.00 0.00 H new ATOM 0 HD13 LEU A 95 13.492 -1.894 13.017 1.00 0.00 H new ATOM 0 HD21 LEU A 95 14.694 -4.450 14.238 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.587 -2.918 14.082 1.00 0.00 H new ATOM 0 HD23 LEU A 95 15.438 -3.703 15.672 1.00 0.00 H new ATOM 1510 N ALA A 96 11.482 0.734 16.985 1.00 0.00 N ATOM 1511 CA ALA A 96 11.118 1.524 18.153 1.00 0.00 C ATOM 1512 C ALA A 96 10.003 0.847 18.944 1.00 0.00 C ATOM 1513 O ALA A 96 9.790 -0.367 18.743 1.00 0.00 O ATOM 1514 CB ALA A 96 10.694 2.927 17.749 1.00 0.00 C ATOM 1515 OXT ALA A 96 9.354 1.537 19.756 1.00 0.00 O ATOM 0 H ALA A 96 10.690 0.316 16.497 1.00 0.00 H new ATOM 0 HA ALA A 96 11.999 1.598 18.790 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.427 3.497 18.639 1.00 0.00 H new ATOM 0 HB2 ALA A 96 11.518 3.422 17.235 1.00 0.00 H new ATOM 0 HB3 ALA A 96 9.833 2.869 17.083 1.00 0.00 H new TER 1521 ALA A 96