USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 768 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 15 THR OG1 : rot 180:sc= 0.192 USER MOD Set 1.2: A 17 GLN : amide:sc= -5.78! C(o=-5.6!,f=-1.2!) USER MOD Single : A 1 GLY N :NH3+ -146:sc= 0.0156 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 142:sc= -0.721 (180deg=-2.32!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.366 K(o=-0.37,f=-0.91) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 18:sc= 0.281 USER MOD Single : A 28 LYS NZ :NH3+ 176:sc=-0.00122 (180deg=-0.0146) USER MOD Single : A 29 CYS SG : rot -43:sc= -0.252 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.8) USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= -0.316 (180deg=-0.949) USER MOD Single : A 40 THR OG1 : rot 31:sc= 0.0772 USER MOD Single : A 41 LYS NZ :NH3+ -126:sc= 0.561 (180deg=-0.116) USER MOD Single : A 42 ASN : amide:sc= -0.761 K(o=-0.76,f=0) USER MOD Single : A 47 GLN : amide:sc= -1.41! C(o=-1.4!,f=-1.7!) USER MOD Single : A 49 SER OG : rot -97:sc= 0.195 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0056 K(o=-0.0056,f=-1.1) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HE2:sc= -3.05 K(o=-3,f=-3.6) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 103:sc= 0.0959 USER MOD Single : A 83 TYR OH : rot 121:sc= -0.692 USER MOD Single : A 84 ASN : amide:sc= -1.42 K(o=-1.4,f=-0.21) USER MOD Single : A 86 THR OG1 : rot 30:sc= 0.619 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HE2:sc= -1.38 K(o=-1.4,f=-2.9!) USER MOD Single : A 95 SER OG : rot 170:sc= -0.955 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc=-0.00244 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.222 6.924 10.866 1.00 0.00 N ATOM 2 CA GLY A 1 -29.491 5.818 11.457 1.00 0.00 C ATOM 3 C GLY A 1 -28.310 5.386 10.611 1.00 0.00 C ATOM 4 O GLY A 1 -27.662 6.213 9.970 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.592 7.538 11.620 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.586 7.473 10.253 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.013 6.555 10.301 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.138 6.107 12.447 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.165 4.972 11.593 1.00 0.00 H new ATOM 8 N SER A 2 -28.027 4.087 10.611 1.00 0.00 N ATOM 9 CA SER A 2 -26.911 3.548 9.842 1.00 0.00 C ATOM 10 C SER A 2 -25.600 4.213 10.249 1.00 0.00 C ATOM 11 O SER A 2 -24.750 4.502 9.407 1.00 0.00 O ATOM 12 CB SER A 2 -27.153 3.746 8.345 1.00 0.00 C ATOM 13 OG SER A 2 -26.472 2.763 7.584 1.00 0.00 O ATOM 0 H SER A 2 -28.555 3.389 11.135 1.00 0.00 H new ATOM 0 HA SER A 2 -26.838 2.481 10.053 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.222 3.696 8.136 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.816 4.739 8.047 1.00 0.00 H new ATOM 0 HG SER A 2 -26.644 2.910 6.631 1.00 0.00 H new ATOM 19 N SER A 3 -25.442 4.452 11.547 1.00 0.00 N ATOM 20 CA SER A 3 -24.237 5.086 12.067 1.00 0.00 C ATOM 21 C SER A 3 -23.257 4.041 12.593 1.00 0.00 C ATOM 22 O SER A 3 -23.609 2.875 12.766 1.00 0.00 O ATOM 23 CB SER A 3 -24.593 6.073 13.180 1.00 0.00 C ATOM 24 OG SER A 3 -23.642 7.121 13.257 1.00 0.00 O ATOM 0 H SER A 3 -26.134 4.216 12.258 1.00 0.00 H new ATOM 0 HA SER A 3 -23.760 5.628 11.250 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.584 6.490 12.998 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.639 5.548 14.134 1.00 0.00 H new ATOM 0 HG SER A 3 -23.894 7.739 13.975 1.00 0.00 H new ATOM 30 N GLY A 4 -22.024 4.470 12.847 1.00 0.00 N ATOM 31 CA GLY A 4 -21.012 3.560 13.350 1.00 0.00 C ATOM 32 C GLY A 4 -19.801 4.287 13.900 1.00 0.00 C ATOM 33 O GLY A 4 -19.208 5.124 13.219 1.00 0.00 O ATOM 0 H GLY A 4 -21.709 5.431 12.713 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.445 2.937 14.133 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.698 2.892 12.548 1.00 0.00 H new ATOM 37 N SER A 5 -19.433 3.969 15.137 1.00 0.00 N ATOM 38 CA SER A 5 -18.288 4.603 15.781 1.00 0.00 C ATOM 39 C SER A 5 -17.053 3.710 15.695 1.00 0.00 C ATOM 40 O SER A 5 -15.968 4.165 15.334 1.00 0.00 O ATOM 41 CB SER A 5 -18.606 4.913 17.245 1.00 0.00 C ATOM 42 OG SER A 5 -17.662 5.818 17.791 1.00 0.00 O ATOM 0 H SER A 5 -19.911 3.276 15.713 1.00 0.00 H new ATOM 0 HA SER A 5 -18.078 5.535 15.257 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.607 5.337 17.321 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.606 3.989 17.824 1.00 0.00 H new ATOM 0 HG SER A 5 -17.888 6.001 18.727 1.00 0.00 H new ATOM 48 N SER A 6 -17.228 2.435 16.029 1.00 0.00 N ATOM 49 CA SER A 6 -16.129 1.478 15.994 1.00 0.00 C ATOM 50 C SER A 6 -16.407 0.369 14.984 1.00 0.00 C ATOM 51 O SER A 6 -17.556 -0.008 14.760 1.00 0.00 O ATOM 52 CB SER A 6 -15.905 0.875 17.382 1.00 0.00 C ATOM 53 OG SER A 6 -17.000 0.061 17.767 1.00 0.00 O ATOM 0 H SER A 6 -18.121 2.041 16.327 1.00 0.00 H new ATOM 0 HA SER A 6 -15.228 2.008 15.687 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.990 0.283 17.381 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.767 1.674 18.111 1.00 0.00 H new ATOM 0 HG SER A 6 -16.832 -0.314 18.657 1.00 0.00 H new ATOM 59 N GLY A 7 -15.344 -0.150 14.376 1.00 0.00 N ATOM 60 CA GLY A 7 -15.493 -1.210 13.397 1.00 0.00 C ATOM 61 C GLY A 7 -14.219 -2.009 13.209 1.00 0.00 C ATOM 62 O GLY A 7 -13.876 -2.850 14.041 1.00 0.00 O ATOM 0 H GLY A 7 -14.382 0.145 14.545 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.295 -1.879 13.710 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.792 -0.779 12.442 1.00 0.00 H new ATOM 66 N LEU A 8 -13.515 -1.748 12.113 1.00 0.00 N ATOM 67 CA LEU A 8 -12.271 -2.450 11.817 1.00 0.00 C ATOM 68 C LEU A 8 -11.144 -1.968 12.724 1.00 0.00 C ATOM 69 O LEU A 8 -10.975 -0.767 12.938 1.00 0.00 O ATOM 70 CB LEU A 8 -11.884 -2.246 10.351 1.00 0.00 C ATOM 71 CG LEU A 8 -10.568 -2.887 9.909 1.00 0.00 C ATOM 72 CD1 LEU A 8 -10.628 -4.398 10.073 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.253 -2.518 8.467 1.00 0.00 C ATOM 0 H LEU A 8 -13.784 -1.055 11.415 1.00 0.00 H new ATOM 0 HA LEU A 8 -12.430 -3.513 12.000 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.685 -2.641 9.726 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.827 -1.175 10.157 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.769 -2.505 10.544 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.683 -4.836 9.753 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.806 -4.644 11.120 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.438 -4.798 9.463 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.313 -2.983 8.169 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.054 -2.871 7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.166 -1.435 8.379 1.00 0.00 H new ATOM 85 N LYS A 9 -10.373 -2.911 13.254 1.00 0.00 N ATOM 86 CA LYS A 9 -9.259 -2.584 14.136 1.00 0.00 C ATOM 87 C LYS A 9 -7.926 -2.916 13.474 1.00 0.00 C ATOM 88 O LYS A 9 -7.516 -4.076 13.430 1.00 0.00 O ATOM 89 CB LYS A 9 -9.388 -3.344 15.458 1.00 0.00 C ATOM 90 CG LYS A 9 -10.663 -3.028 16.220 1.00 0.00 C ATOM 91 CD LYS A 9 -10.576 -1.679 16.915 1.00 0.00 C ATOM 92 CE LYS A 9 -9.895 -1.793 18.270 1.00 0.00 C ATOM 93 NZ LYS A 9 -8.411 -1.806 18.146 1.00 0.00 N ATOM 0 H LYS A 9 -10.499 -3.909 13.088 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.288 -1.513 14.336 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.351 -4.415 15.257 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.530 -3.108 16.088 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.509 -3.031 15.533 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.850 -3.808 16.958 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.024 -0.980 16.287 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.578 -1.269 17.043 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.199 -0.958 18.901 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.226 -2.705 18.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.992 -1.267 18.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.069 -2.787 18.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.134 -1.373 17.242 1.00 0.00 H new ATOM 107 N ILE A 10 -7.253 -1.890 12.962 1.00 0.00 N ATOM 108 CA ILE A 10 -5.965 -2.074 12.305 1.00 0.00 C ATOM 109 C ILE A 10 -4.942 -2.680 13.260 1.00 0.00 C ATOM 110 O ILE A 10 -4.478 -2.020 14.191 1.00 0.00 O ATOM 111 CB ILE A 10 -5.416 -0.742 11.761 1.00 0.00 C ATOM 112 CG1 ILE A 10 -6.484 -0.026 10.932 1.00 0.00 C ATOM 113 CG2 ILE A 10 -4.166 -0.986 10.927 1.00 0.00 C ATOM 114 CD1 ILE A 10 -7.356 0.905 11.746 1.00 0.00 C ATOM 0 H ILE A 10 -7.578 -0.924 12.990 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.130 -2.757 11.472 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.149 -0.104 12.604 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.997 0.544 10.141 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.115 -0.770 10.446 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.789 -0.035 10.549 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.403 -1.459 11.545 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.410 -1.639 10.089 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.090 1.378 11.094 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.871 0.337 12.521 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.736 1.671 12.210 1.00 0.00 H new ATOM 126 N LEU A 11 -4.594 -3.940 13.023 1.00 0.00 N ATOM 127 CA LEU A 11 -3.624 -4.636 13.861 1.00 0.00 C ATOM 128 C LEU A 11 -2.197 -4.273 13.459 1.00 0.00 C ATOM 129 O LEU A 11 -1.421 -3.770 14.272 1.00 0.00 O ATOM 130 CB LEU A 11 -3.825 -6.149 13.758 1.00 0.00 C ATOM 131 CG LEU A 11 -5.182 -6.679 14.223 1.00 0.00 C ATOM 132 CD1 LEU A 11 -5.366 -8.126 13.792 1.00 0.00 C ATOM 133 CD2 LEU A 11 -5.317 -6.548 15.733 1.00 0.00 C ATOM 0 H LEU A 11 -4.969 -4.500 12.258 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.782 -4.323 14.893 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.678 -6.445 12.719 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.046 -6.639 14.342 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.964 -6.080 13.756 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.337 -8.486 14.132 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.315 -8.191 12.705 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.578 -8.739 14.230 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.289 -6.930 16.046 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.528 -7.121 16.220 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.231 -5.499 16.016 1.00 0.00 H new ATOM 145 N THR A 12 -1.859 -4.529 12.199 1.00 0.00 N ATOM 146 CA THR A 12 -0.528 -4.229 11.689 1.00 0.00 C ATOM 147 C THR A 12 -0.591 -3.219 10.549 1.00 0.00 C ATOM 148 O THR A 12 -0.673 -3.578 9.374 1.00 0.00 O ATOM 149 CB THR A 12 0.185 -5.502 11.194 1.00 0.00 C ATOM 150 OG1 THR A 12 0.233 -6.476 12.242 1.00 0.00 O ATOM 151 CG2 THR A 12 1.596 -5.184 10.724 1.00 0.00 C ATOM 0 H THR A 12 -2.490 -4.944 11.513 1.00 0.00 H new ATOM 0 HA THR A 12 0.039 -3.803 12.517 1.00 0.00 H new ATOM 0 HB THR A 12 -0.379 -5.903 10.352 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.686 -7.282 11.919 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.079 -6.098 10.379 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.554 -4.465 9.906 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.168 -4.760 11.550 1.00 0.00 H new ATOM 159 N PRO A 13 -0.551 -1.925 10.900 1.00 0.00 N ATOM 160 CA PRO A 13 -0.601 -0.837 9.920 1.00 0.00 C ATOM 161 C PRO A 13 0.672 -0.750 9.084 1.00 0.00 C ATOM 162 O PRO A 13 1.693 -1.348 9.426 1.00 0.00 O ATOM 163 CB PRO A 13 -0.758 0.415 10.787 1.00 0.00 C ATOM 164 CG PRO A 13 -0.168 0.040 12.103 1.00 0.00 C ATOM 165 CD PRO A 13 -0.453 -1.426 12.282 1.00 0.00 C ATOM 0 HA PRO A 13 -1.406 -0.976 9.198 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.239 1.268 10.349 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.806 0.697 10.889 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.904 0.234 12.119 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.610 0.625 12.910 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.343 -1.926 12.834 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.377 -1.591 12.836 1.00 0.00 H new ATOM 173 N LEU A 14 0.604 -0.003 7.988 1.00 0.00 N ATOM 174 CA LEU A 14 1.752 0.162 7.103 1.00 0.00 C ATOM 175 C LEU A 14 2.811 1.053 7.745 1.00 0.00 C ATOM 176 O LEU A 14 2.504 2.128 8.262 1.00 0.00 O ATOM 177 CB LEU A 14 1.309 0.759 5.766 1.00 0.00 C ATOM 178 CG LEU A 14 0.141 0.058 5.072 1.00 0.00 C ATOM 179 CD1 LEU A 14 -0.663 1.051 4.247 1.00 0.00 C ATOM 180 CD2 LEU A 14 0.645 -1.081 4.198 1.00 0.00 C ATOM 0 H LEU A 14 -0.233 0.498 7.691 1.00 0.00 H new ATOM 0 HA LEU A 14 2.189 -0.821 6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.036 1.802 5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.163 0.756 5.089 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.513 -0.361 5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.490 0.534 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.056 1.832 4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.020 1.500 3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.200 -1.568 3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.321 -0.686 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.176 -1.806 4.815 1.00 0.00 H new ATOM 192 N THR A 15 4.060 0.601 7.707 1.00 0.00 N ATOM 193 CA THR A 15 5.165 1.357 8.284 1.00 0.00 C ATOM 194 C THR A 15 5.824 2.250 7.239 1.00 0.00 C ATOM 195 O THR A 15 5.377 2.317 6.094 1.00 0.00 O ATOM 196 CB THR A 15 6.229 0.423 8.889 1.00 0.00 C ATOM 197 OG1 THR A 15 6.608 -0.574 7.933 1.00 0.00 O ATOM 198 CG2 THR A 15 5.706 -0.249 10.150 1.00 0.00 C ATOM 0 H THR A 15 4.332 -0.286 7.282 1.00 0.00 H new ATOM 0 HA THR A 15 4.745 1.977 9.076 1.00 0.00 H new ATOM 0 HB THR A 15 7.100 1.024 9.151 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.286 -1.163 8.326 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.475 -0.904 10.559 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.447 0.511 10.887 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.820 -0.837 9.909 1.00 0.00 H new ATOM 206 N ASP A 16 6.889 2.935 7.641 1.00 0.00 N ATOM 207 CA ASP A 16 7.611 3.824 6.739 1.00 0.00 C ATOM 208 C ASP A 16 8.798 3.106 6.104 1.00 0.00 C ATOM 209 O ASP A 16 9.665 2.582 6.803 1.00 0.00 O ATOM 210 CB ASP A 16 8.093 5.067 7.489 1.00 0.00 C ATOM 211 CG ASP A 16 8.912 4.720 8.717 1.00 0.00 C ATOM 212 OD1 ASP A 16 10.129 4.484 8.571 1.00 0.00 O ATOM 213 OD2 ASP A 16 8.335 4.683 9.824 1.00 0.00 O ATOM 0 H ASP A 16 7.271 2.891 8.586 1.00 0.00 H new ATOM 0 HA ASP A 16 6.928 4.130 5.947 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.692 5.683 6.818 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.232 5.665 7.787 1.00 0.00 H new ATOM 218 N GLN A 17 8.830 3.087 4.775 1.00 0.00 N ATOM 219 CA GLN A 17 9.910 2.431 4.047 1.00 0.00 C ATOM 220 C GLN A 17 10.618 3.415 3.121 1.00 0.00 C ATOM 221 O GLN A 17 9.976 4.201 2.423 1.00 0.00 O ATOM 222 CB GLN A 17 9.366 1.253 3.237 1.00 0.00 C ATOM 223 CG GLN A 17 9.367 -0.062 4.000 1.00 0.00 C ATOM 224 CD GLN A 17 9.056 0.118 5.473 1.00 0.00 C ATOM 225 OE1 GLN A 17 9.883 -0.182 6.335 1.00 0.00 O ATOM 226 NE2 GLN A 17 7.859 0.609 5.769 1.00 0.00 N ATOM 0 H GLN A 17 8.121 3.518 4.181 1.00 0.00 H new ATOM 0 HA GLN A 17 10.632 2.060 4.775 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.348 1.479 2.921 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.963 1.139 2.332 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.633 -0.735 3.557 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.342 -0.539 3.894 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.205 0.844 5.022 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.593 0.752 6.743 1.00 0.00 H new ATOM 235 N THR A 18 11.947 3.368 3.121 1.00 0.00 N ATOM 236 CA THR A 18 12.742 4.256 2.283 1.00 0.00 C ATOM 237 C THR A 18 13.787 3.477 1.492 1.00 0.00 C ATOM 238 O THR A 18 14.636 2.796 2.068 1.00 0.00 O ATOM 239 CB THR A 18 13.451 5.335 3.123 1.00 0.00 C ATOM 240 OG1 THR A 18 12.482 6.160 3.779 1.00 0.00 O ATOM 241 CG2 THR A 18 14.350 6.197 2.249 1.00 0.00 C ATOM 0 H THR A 18 12.495 2.724 3.692 1.00 0.00 H new ATOM 0 HA THR A 18 12.052 4.739 1.591 1.00 0.00 H new ATOM 0 HB THR A 18 14.068 4.836 3.870 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.941 6.842 4.312 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.840 6.952 2.864 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.105 5.570 1.774 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.750 6.687 1.482 1.00 0.00 H new ATOM 249 N VAL A 19 13.719 3.580 0.169 1.00 0.00 N ATOM 250 CA VAL A 19 14.661 2.886 -0.702 1.00 0.00 C ATOM 251 C VAL A 19 15.095 3.775 -1.862 1.00 0.00 C ATOM 252 O VAL A 19 14.424 4.751 -2.194 1.00 0.00 O ATOM 253 CB VAL A 19 14.053 1.587 -1.264 1.00 0.00 C ATOM 254 CG1 VAL A 19 13.787 0.593 -0.143 1.00 0.00 C ATOM 255 CG2 VAL A 19 12.776 1.887 -2.035 1.00 0.00 C ATOM 0 H VAL A 19 13.021 4.137 -0.324 1.00 0.00 H new ATOM 0 HA VAL A 19 15.531 2.638 -0.094 1.00 0.00 H new ATOM 0 HB VAL A 19 14.770 1.139 -1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.358 -0.318 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.723 0.355 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.089 1.029 0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.360 0.958 -2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.052 2.358 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.000 2.560 -2.863 1.00 0.00 H new ATOM 265 N ASN A 20 16.222 3.429 -2.475 1.00 0.00 N ATOM 266 CA ASN A 20 16.747 4.196 -3.599 1.00 0.00 C ATOM 267 C ASN A 20 15.909 3.965 -4.854 1.00 0.00 C ATOM 268 O ASN A 20 14.933 3.213 -4.832 1.00 0.00 O ATOM 269 CB ASN A 20 18.204 3.815 -3.868 1.00 0.00 C ATOM 270 CG ASN A 20 19.141 4.312 -2.785 1.00 0.00 C ATOM 271 OD1 ASN A 20 19.846 5.305 -2.966 1.00 0.00 O ATOM 272 ND2 ASN A 20 19.152 3.623 -1.650 1.00 0.00 N ATOM 0 H ASN A 20 16.789 2.623 -2.213 1.00 0.00 H new ATOM 0 HA ASN A 20 16.697 5.254 -3.340 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.285 2.731 -3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.513 4.227 -4.829 1.00 0.00 H new ATOM 0 HD21 ASN A 20 19.762 3.911 -0.885 1.00 0.00 H new ATOM 0 HD22 ASN A 20 18.551 2.806 -1.544 1.00 0.00 H new ATOM 279 N LEU A 21 16.297 4.615 -5.945 1.00 0.00 N ATOM 280 CA LEU A 21 15.583 4.480 -7.210 1.00 0.00 C ATOM 281 C LEU A 21 15.900 3.144 -7.875 1.00 0.00 C ATOM 282 O LEU A 21 17.064 2.791 -8.057 1.00 0.00 O ATOM 283 CB LEU A 21 15.949 5.630 -8.150 1.00 0.00 C ATOM 284 CG LEU A 21 14.944 5.934 -9.262 1.00 0.00 C ATOM 285 CD1 LEU A 21 15.347 7.191 -10.017 1.00 0.00 C ATOM 286 CD2 LEU A 21 14.828 4.752 -10.213 1.00 0.00 C ATOM 0 H LEU A 21 17.102 5.241 -5.980 1.00 0.00 H new ATOM 0 HA LEU A 21 14.514 4.516 -7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.084 6.532 -7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.912 5.405 -8.609 1.00 0.00 H new ATOM 0 HG LEU A 21 13.968 6.106 -8.807 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.620 7.391 -10.804 1.00 0.00 H new ATOM 0 HD12 LEU A 21 15.378 8.035 -9.328 1.00 0.00 H new ATOM 0 HD13 LEU A 21 16.332 7.049 -10.461 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.109 4.986 -10.998 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.801 4.549 -10.661 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.491 3.874 -9.662 1.00 0.00 H new ATOM 298 N GLY A 22 14.855 2.406 -8.238 1.00 0.00 N ATOM 299 CA GLY A 22 15.044 1.119 -8.881 1.00 0.00 C ATOM 300 C GLY A 22 15.012 -0.032 -7.894 1.00 0.00 C ATOM 301 O GLY A 22 15.361 -1.162 -8.235 1.00 0.00 O ATOM 0 H GLY A 22 13.882 2.677 -8.098 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.266 0.973 -9.630 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.998 1.116 -9.407 1.00 0.00 H new ATOM 305 N LYS A 23 14.594 0.255 -6.666 1.00 0.00 N ATOM 306 CA LYS A 23 14.519 -0.763 -5.625 1.00 0.00 C ATOM 307 C LYS A 23 13.115 -1.355 -5.544 1.00 0.00 C ATOM 308 O LYS A 23 12.132 -0.690 -5.869 1.00 0.00 O ATOM 309 CB LYS A 23 14.912 -0.169 -4.271 1.00 0.00 C ATOM 310 CG LYS A 23 16.413 -0.116 -4.043 1.00 0.00 C ATOM 311 CD LYS A 23 16.936 -1.420 -3.465 1.00 0.00 C ATOM 312 CE LYS A 23 18.441 -1.546 -3.644 1.00 0.00 C ATOM 313 NZ LYS A 23 18.922 -2.922 -3.340 1.00 0.00 N ATOM 0 H LYS A 23 14.302 1.185 -6.367 1.00 0.00 H new ATOM 0 HA LYS A 23 15.217 -1.560 -5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.505 0.839 -4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.453 -0.759 -3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.918 0.093 -4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.650 0.704 -3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.689 -1.474 -2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.439 -2.260 -3.951 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.708 -1.286 -4.668 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.945 -0.833 -2.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.952 -2.967 -3.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.690 -3.161 -2.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.460 -3.600 -3.979 1.00 0.00 H new ATOM 327 N GLU A 24 13.030 -2.608 -5.107 1.00 0.00 N ATOM 328 CA GLU A 24 11.746 -3.287 -4.983 1.00 0.00 C ATOM 329 C GLU A 24 11.098 -2.983 -3.636 1.00 0.00 C ATOM 330 O GLU A 24 11.384 -3.640 -2.635 1.00 0.00 O ATOM 331 CB GLU A 24 11.926 -4.798 -5.145 1.00 0.00 C ATOM 332 CG GLU A 24 10.616 -5.568 -5.170 1.00 0.00 C ATOM 333 CD GLU A 24 10.747 -6.921 -5.841 1.00 0.00 C ATOM 334 OE1 GLU A 24 11.523 -7.760 -5.337 1.00 0.00 O ATOM 335 OE2 GLU A 24 10.074 -7.142 -6.869 1.00 0.00 O ATOM 0 H GLU A 24 13.834 -3.172 -4.833 1.00 0.00 H new ATOM 0 HA GLU A 24 11.091 -2.919 -5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.470 -4.994 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.542 -5.172 -4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.261 -5.706 -4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.863 -4.979 -5.693 1.00 0.00 H new ATOM 342 N ILE A 25 10.224 -1.982 -3.619 1.00 0.00 N ATOM 343 CA ILE A 25 9.534 -1.591 -2.396 1.00 0.00 C ATOM 344 C ILE A 25 8.567 -2.677 -1.939 1.00 0.00 C ATOM 345 O ILE A 25 7.847 -3.263 -2.749 1.00 0.00 O ATOM 346 CB ILE A 25 8.759 -0.274 -2.584 1.00 0.00 C ATOM 347 CG1 ILE A 25 9.715 0.857 -2.967 1.00 0.00 C ATOM 348 CG2 ILE A 25 7.997 0.078 -1.314 1.00 0.00 C ATOM 349 CD1 ILE A 25 9.067 1.940 -3.802 1.00 0.00 C ATOM 0 H ILE A 25 9.977 -1.427 -4.438 1.00 0.00 H new ATOM 0 HA ILE A 25 10.300 -1.447 -1.634 1.00 0.00 H new ATOM 0 HB ILE A 25 8.040 -0.406 -3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.119 1.303 -2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.557 0.439 -3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.454 1.011 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.291 -0.719 -1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.699 0.194 -0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.804 2.709 -4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.687 1.507 -4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.243 2.385 -3.244 1.00 0.00 H new ATOM 361 N CYS A 26 8.554 -2.940 -0.637 1.00 0.00 N ATOM 362 CA CYS A 26 7.673 -3.955 -0.070 1.00 0.00 C ATOM 363 C CYS A 26 6.872 -3.390 1.098 1.00 0.00 C ATOM 364 O CYS A 26 7.401 -2.647 1.925 1.00 0.00 O ATOM 365 CB CYS A 26 8.486 -5.166 0.391 1.00 0.00 C ATOM 366 SG CYS A 26 9.490 -4.863 1.863 1.00 0.00 S ATOM 0 H CYS A 26 9.144 -2.464 0.046 1.00 0.00 H new ATOM 0 HA CYS A 26 6.975 -4.269 -0.846 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.804 -5.992 0.593 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.139 -5.483 -0.422 1.00 0.00 H new ATOM 0 HG CYS A 26 9.049 -3.806 2.479 1.00 0.00 H new ATOM 372 N LEU A 27 5.594 -3.747 1.159 1.00 0.00 N ATOM 373 CA LEU A 27 4.718 -3.274 2.226 1.00 0.00 C ATOM 374 C LEU A 27 3.723 -4.356 2.633 1.00 0.00 C ATOM 375 O LEU A 27 3.037 -4.934 1.790 1.00 0.00 O ATOM 376 CB LEU A 27 3.968 -2.018 1.779 1.00 0.00 C ATOM 377 CG LEU A 27 4.837 -0.822 1.387 1.00 0.00 C ATOM 378 CD1 LEU A 27 4.027 0.186 0.586 1.00 0.00 C ATOM 379 CD2 LEU A 27 5.432 -0.167 2.625 1.00 0.00 C ATOM 0 H LEU A 27 5.141 -4.362 0.483 1.00 0.00 H new ATOM 0 HA LEU A 27 5.337 -3.032 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.338 -2.278 0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.303 -1.710 2.586 1.00 0.00 H new ATOM 0 HG LEU A 27 5.654 -1.180 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.661 1.030 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.649 -0.288 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.189 0.540 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.047 0.682 2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.629 0.178 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.047 -0.891 3.160 1.00 0.00 H new ATOM 391 N LYS A 28 3.647 -4.624 3.932 1.00 0.00 N ATOM 392 CA LYS A 28 2.734 -5.634 4.454 1.00 0.00 C ATOM 393 C LYS A 28 1.972 -5.105 5.664 1.00 0.00 C ATOM 394 O LYS A 28 2.540 -4.425 6.519 1.00 0.00 O ATOM 395 CB LYS A 28 3.504 -6.900 4.836 1.00 0.00 C ATOM 396 CG LYS A 28 2.615 -8.028 5.329 1.00 0.00 C ATOM 397 CD LYS A 28 3.399 -9.041 6.145 1.00 0.00 C ATOM 398 CE LYS A 28 2.556 -10.262 6.478 1.00 0.00 C ATOM 399 NZ LYS A 28 2.385 -11.157 5.300 1.00 0.00 N ATOM 0 H LYS A 28 4.208 -4.155 4.644 1.00 0.00 H new ATOM 0 HA LYS A 28 2.015 -5.876 3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.069 -7.246 3.971 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.228 -6.654 5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.808 -7.617 5.936 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.152 -8.526 4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.285 -9.350 5.590 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.747 -8.576 7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.026 -10.817 7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.577 -9.941 6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.862 -12.010 5.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.854 -10.657 4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.319 -11.430 4.933 1.00 0.00 H new ATOM 413 N CYS A 29 0.684 -5.423 5.732 1.00 0.00 N ATOM 414 CA CYS A 29 -0.156 -4.980 6.839 1.00 0.00 C ATOM 415 C CYS A 29 -1.128 -6.078 7.258 1.00 0.00 C ATOM 416 O CYS A 29 -1.355 -7.034 6.517 1.00 0.00 O ATOM 417 CB CYS A 29 -0.930 -3.720 6.447 1.00 0.00 C ATOM 418 SG CYS A 29 -1.943 -3.908 4.961 1.00 0.00 S ATOM 0 H CYS A 29 0.199 -5.986 5.034 1.00 0.00 H new ATOM 0 HA CYS A 29 0.492 -4.751 7.685 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.573 -3.428 7.277 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.222 -2.906 6.291 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.270 -4.554 4.056 1.00 0.00 H new ATOM 424 N GLU A 30 -1.697 -5.935 8.451 1.00 0.00 N ATOM 425 CA GLU A 30 -2.642 -6.917 8.969 1.00 0.00 C ATOM 426 C GLU A 30 -3.885 -6.232 9.531 1.00 0.00 C ATOM 427 O GLU A 30 -3.788 -5.225 10.232 1.00 0.00 O ATOM 428 CB GLU A 30 -1.982 -7.770 10.053 1.00 0.00 C ATOM 429 CG GLU A 30 -2.652 -9.118 10.259 1.00 0.00 C ATOM 430 CD GLU A 30 -3.796 -9.056 11.253 1.00 0.00 C ATOM 431 OE1 GLU A 30 -4.469 -8.006 11.318 1.00 0.00 O ATOM 432 OE2 GLU A 30 -4.017 -10.057 11.965 1.00 0.00 O ATOM 0 H GLU A 30 -1.520 -5.149 9.076 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.945 -7.562 8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.936 -7.930 9.791 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.994 -7.220 10.994 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.026 -9.483 9.303 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.912 -9.838 10.608 1.00 0.00 H new ATOM 439 N ILE A 31 -5.051 -6.786 9.217 1.00 0.00 N ATOM 440 CA ILE A 31 -6.312 -6.230 9.691 1.00 0.00 C ATOM 441 C ILE A 31 -7.086 -7.250 10.520 1.00 0.00 C ATOM 442 O ILE A 31 -6.742 -8.431 10.549 1.00 0.00 O ATOM 443 CB ILE A 31 -7.196 -5.762 8.520 1.00 0.00 C ATOM 444 CG1 ILE A 31 -7.224 -6.822 7.417 1.00 0.00 C ATOM 445 CG2 ILE A 31 -6.692 -4.435 7.973 1.00 0.00 C ATOM 446 CD1 ILE A 31 -8.026 -6.410 6.202 1.00 0.00 C ATOM 0 H ILE A 31 -5.149 -7.619 8.637 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.063 -5.371 10.315 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.212 -5.619 8.887 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.202 -7.042 7.110 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.641 -7.744 7.821 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.327 -4.118 7.146 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.719 -3.683 8.761 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.668 -4.553 7.619 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.002 -7.210 5.462 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.058 -6.218 6.495 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.597 -5.505 5.772 1.00 0.00 H new ATOM 458 N SER A 32 -8.133 -6.785 11.193 1.00 0.00 N ATOM 459 CA SER A 32 -8.955 -7.655 12.025 1.00 0.00 C ATOM 460 C SER A 32 -10.097 -8.262 11.215 1.00 0.00 C ATOM 461 O SER A 32 -10.659 -9.290 11.590 1.00 0.00 O ATOM 462 CB SER A 32 -9.517 -6.876 13.216 1.00 0.00 C ATOM 463 OG SER A 32 -10.166 -7.741 14.131 1.00 0.00 O ATOM 0 H SER A 32 -8.432 -5.810 11.178 1.00 0.00 H new ATOM 0 HA SER A 32 -8.325 -8.464 12.394 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.710 -6.346 13.722 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.220 -6.122 12.862 1.00 0.00 H new ATOM 0 HG SER A 32 -10.515 -7.219 14.883 1.00 0.00 H new ATOM 469 N GLU A 33 -10.434 -7.616 10.103 1.00 0.00 N ATOM 470 CA GLU A 33 -11.509 -8.091 9.241 1.00 0.00 C ATOM 471 C GLU A 33 -10.950 -8.687 7.952 1.00 0.00 C ATOM 472 O GLU A 33 -9.871 -8.309 7.498 1.00 0.00 O ATOM 473 CB GLU A 33 -12.471 -6.947 8.910 1.00 0.00 C ATOM 474 CG GLU A 33 -13.474 -6.658 10.014 1.00 0.00 C ATOM 475 CD GLU A 33 -14.146 -7.913 10.535 1.00 0.00 C ATOM 476 OE1 GLU A 33 -14.680 -8.687 9.713 1.00 0.00 O ATOM 477 OE2 GLU A 33 -14.138 -8.123 11.766 1.00 0.00 O ATOM 0 H GLU A 33 -9.978 -6.763 9.779 1.00 0.00 H new ATOM 0 HA GLU A 33 -12.052 -8.870 9.777 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.894 -6.044 8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.011 -7.190 7.995 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.968 -6.153 10.837 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.234 -5.972 9.639 1.00 0.00 H new ATOM 484 N ASN A 34 -11.692 -9.623 7.370 1.00 0.00 N ATOM 485 CA ASN A 34 -11.270 -10.274 6.134 1.00 0.00 C ATOM 486 C ASN A 34 -12.070 -9.752 4.944 1.00 0.00 C ATOM 487 O ASN A 34 -12.976 -10.423 4.450 1.00 0.00 O ATOM 488 CB ASN A 34 -11.437 -11.790 6.249 1.00 0.00 C ATOM 489 CG ASN A 34 -10.908 -12.524 5.033 1.00 0.00 C ATOM 490 OD1 ASN A 34 -10.273 -11.929 4.162 1.00 0.00 O ATOM 491 ND2 ASN A 34 -11.169 -13.825 4.966 1.00 0.00 N ATOM 0 H ASN A 34 -12.588 -9.948 7.733 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.217 -10.042 5.972 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.916 -12.144 7.139 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.492 -12.027 6.382 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.839 -14.371 4.170 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -11.699 -14.278 5.711 1.00 0.00 H new ATOM 498 N ILE A 35 -11.727 -8.551 4.489 1.00 0.00 N ATOM 499 CA ILE A 35 -12.411 -7.941 3.356 1.00 0.00 C ATOM 500 C ILE A 35 -11.417 -7.290 2.400 1.00 0.00 C ATOM 501 O ILE A 35 -10.350 -6.823 2.798 1.00 0.00 O ATOM 502 CB ILE A 35 -13.430 -6.883 3.818 1.00 0.00 C ATOM 503 CG1 ILE A 35 -12.810 -5.974 4.881 1.00 0.00 C ATOM 504 CG2 ILE A 35 -14.685 -7.555 4.355 1.00 0.00 C ATOM 505 CD1 ILE A 35 -12.057 -4.796 4.305 1.00 0.00 C ATOM 0 H ILE A 35 -10.980 -7.982 4.888 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.940 -8.741 2.838 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.708 -6.270 2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.599 -5.605 5.537 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.131 -6.562 5.499 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -15.396 -6.794 4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -15.136 -8.163 3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -14.424 -8.190 5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.645 -4.196 5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.246 -5.157 3.672 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.737 -4.185 3.711 1.00 0.00 H new ATOM 517 N PRO A 36 -11.776 -7.254 1.108 1.00 0.00 N ATOM 518 CA PRO A 36 -10.931 -6.660 0.068 1.00 0.00 C ATOM 519 C PRO A 36 -10.846 -5.143 0.187 1.00 0.00 C ATOM 520 O PRO A 36 -11.722 -4.506 0.770 1.00 0.00 O ATOM 521 CB PRO A 36 -11.637 -7.056 -1.232 1.00 0.00 C ATOM 522 CG PRO A 36 -13.060 -7.259 -0.843 1.00 0.00 C ATOM 523 CD PRO A 36 -13.034 -7.791 0.563 1.00 0.00 C ATOM 0 HA PRO A 36 -9.900 -7.008 0.132 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.541 -6.277 -1.988 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.208 -7.965 -1.654 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.616 -6.323 -0.896 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.552 -7.961 -1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.897 -7.453 1.137 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.047 -8.881 0.581 1.00 0.00 H new ATOM 531 N GLY A 37 -9.784 -4.568 -0.370 1.00 0.00 N ATOM 532 CA GLY A 37 -9.604 -3.129 -0.316 1.00 0.00 C ATOM 533 C GLY A 37 -8.815 -2.598 -1.496 1.00 0.00 C ATOM 534 O GLY A 37 -8.473 -3.347 -2.411 1.00 0.00 O ATOM 0 H GLY A 37 -9.045 -5.074 -0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.580 -2.645 -0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.091 -2.865 0.609 1.00 0.00 H new ATOM 538 N LYS A 38 -8.526 -1.301 -1.477 1.00 0.00 N ATOM 539 CA LYS A 38 -7.773 -0.669 -2.553 1.00 0.00 C ATOM 540 C LYS A 38 -6.790 0.358 -1.999 1.00 0.00 C ATOM 541 O LYS A 38 -7.060 1.005 -0.987 1.00 0.00 O ATOM 542 CB LYS A 38 -8.726 0.004 -3.543 1.00 0.00 C ATOM 543 CG LYS A 38 -9.346 -0.959 -4.541 1.00 0.00 C ATOM 544 CD LYS A 38 -8.340 -1.395 -5.594 1.00 0.00 C ATOM 545 CE LYS A 38 -9.015 -2.146 -6.731 1.00 0.00 C ATOM 546 NZ LYS A 38 -10.340 -1.560 -7.074 1.00 0.00 N ATOM 0 H LYS A 38 -8.802 -0.667 -0.727 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.208 -1.444 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.522 0.501 -2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.185 0.778 -4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.726 -1.835 -4.015 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.198 -0.483 -5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.824 -0.520 -5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.583 -2.031 -5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.371 -2.128 -7.611 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.142 -3.192 -6.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.652 -1.923 -7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.035 -1.823 -6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.260 -0.524 -7.118 1.00 0.00 H new ATOM 560 N TRP A 39 -5.653 0.502 -2.669 1.00 0.00 N ATOM 561 CA TRP A 39 -4.631 1.452 -2.243 1.00 0.00 C ATOM 562 C TRP A 39 -4.753 2.763 -3.011 1.00 0.00 C ATOM 563 O TRP A 39 -5.159 2.778 -4.174 1.00 0.00 O ATOM 564 CB TRP A 39 -3.236 0.856 -2.444 1.00 0.00 C ATOM 565 CG TRP A 39 -3.072 -0.495 -1.818 1.00 0.00 C ATOM 566 CD1 TRP A 39 -3.724 -1.644 -2.165 1.00 0.00 C ATOM 567 CD2 TRP A 39 -2.200 -0.838 -0.735 1.00 0.00 C ATOM 568 NE1 TRP A 39 -3.310 -2.680 -1.362 1.00 0.00 N ATOM 569 CE2 TRP A 39 -2.375 -2.212 -0.478 1.00 0.00 C ATOM 570 CE3 TRP A 39 -1.287 -0.118 0.041 1.00 0.00 C ATOM 571 CZ2 TRP A 39 -1.671 -2.877 0.522 1.00 0.00 C ATOM 572 CZ3 TRP A 39 -0.590 -0.780 1.033 1.00 0.00 C ATOM 573 CH2 TRP A 39 -0.784 -2.148 1.267 1.00 0.00 C ATOM 0 H TRP A 39 -5.415 -0.026 -3.509 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.781 1.658 -1.183 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.031 0.781 -3.512 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.494 1.536 -2.024 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.457 -1.726 -2.954 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.645 -3.642 -1.416 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.129 0.936 -0.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.820 -3.931 0.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.117 -0.233 1.639 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.223 -2.636 2.050 1.00 0.00 H new ATOM 584 N THR A 40 -4.398 3.864 -2.356 1.00 0.00 N ATOM 585 CA THR A 40 -4.468 5.180 -2.977 1.00 0.00 C ATOM 586 C THR A 40 -3.242 6.017 -2.633 1.00 0.00 C ATOM 587 O THR A 40 -2.843 6.105 -1.472 1.00 0.00 O ATOM 588 CB THR A 40 -5.734 5.941 -2.539 1.00 0.00 C ATOM 589 OG1 THR A 40 -5.789 6.019 -1.111 1.00 0.00 O ATOM 590 CG2 THR A 40 -6.987 5.255 -3.064 1.00 0.00 C ATOM 0 H THR A 40 -4.059 3.870 -1.394 1.00 0.00 H new ATOM 0 HA THR A 40 -4.504 5.019 -4.054 1.00 0.00 H new ATOM 0 HB THR A 40 -5.689 6.947 -2.956 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.878 6.038 -0.749 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.868 5.810 -2.742 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.956 5.224 -4.153 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.036 4.239 -2.673 1.00 0.00 H new ATOM 598 N LYS A 41 -2.647 6.632 -3.650 1.00 0.00 N ATOM 599 CA LYS A 41 -1.466 7.465 -3.455 1.00 0.00 C ATOM 600 C LYS A 41 -1.814 8.944 -3.594 1.00 0.00 C ATOM 601 O LYS A 41 -2.671 9.317 -4.394 1.00 0.00 O ATOM 602 CB LYS A 41 -0.380 7.089 -4.466 1.00 0.00 C ATOM 603 CG LYS A 41 0.880 7.929 -4.345 1.00 0.00 C ATOM 604 CD LYS A 41 1.652 7.967 -5.653 1.00 0.00 C ATOM 605 CE LYS A 41 2.649 9.116 -5.679 1.00 0.00 C ATOM 606 NZ LYS A 41 2.883 9.616 -7.062 1.00 0.00 N ATOM 0 H LYS A 41 -2.963 6.569 -4.618 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.092 7.291 -2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.120 6.039 -4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.781 7.194 -5.474 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.615 8.944 -4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.515 7.523 -3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.179 7.023 -5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.955 8.070 -6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.280 9.931 -5.056 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.594 8.787 -5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.903 9.606 -7.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.387 9.004 -7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.523 10.588 -7.145 1.00 0.00 H new ATOM 620 N ASN A 42 -1.143 9.781 -2.809 1.00 0.00 N ATOM 621 CA ASN A 42 -1.381 11.219 -2.846 1.00 0.00 C ATOM 622 C ASN A 42 -2.857 11.520 -3.090 1.00 0.00 C ATOM 623 O ASN A 42 -3.199 12.436 -3.836 1.00 0.00 O ATOM 624 CB ASN A 42 -0.529 11.871 -3.936 1.00 0.00 C ATOM 625 CG ASN A 42 0.828 12.313 -3.423 1.00 0.00 C ATOM 626 OD1 ASN A 42 1.385 13.309 -3.885 1.00 0.00 O ATOM 627 ND2 ASN A 42 1.367 11.572 -2.462 1.00 0.00 N ATOM 0 H ASN A 42 -0.431 9.488 -2.140 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.099 11.633 -1.878 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.392 11.166 -4.756 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.059 12.733 -4.341 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.278 11.820 -2.077 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.870 10.755 -2.109 1.00 0.00 H new ATOM 634 N GLY A 43 -3.727 10.742 -2.453 1.00 0.00 N ATOM 635 CA GLY A 43 -5.156 10.941 -2.614 1.00 0.00 C ATOM 636 C GLY A 43 -5.632 10.621 -4.017 1.00 0.00 C ATOM 637 O GLY A 43 -6.341 11.416 -4.637 1.00 0.00 O ATOM 0 H GLY A 43 -3.468 9.978 -1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.690 10.313 -1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.405 11.975 -2.376 1.00 0.00 H new ATOM 641 N LEU A 44 -5.241 9.456 -4.521 1.00 0.00 N ATOM 642 CA LEU A 44 -5.631 9.033 -5.862 1.00 0.00 C ATOM 643 C LEU A 44 -5.563 7.515 -5.995 1.00 0.00 C ATOM 644 O LEU A 44 -4.789 6.842 -5.315 1.00 0.00 O ATOM 645 CB LEU A 44 -4.728 9.689 -6.908 1.00 0.00 C ATOM 646 CG LEU A 44 -3.457 8.921 -7.274 1.00 0.00 C ATOM 647 CD1 LEU A 44 -3.756 7.868 -8.329 1.00 0.00 C ATOM 648 CD2 LEU A 44 -2.378 9.877 -7.762 1.00 0.00 C ATOM 0 H LEU A 44 -4.654 8.787 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.661 9.349 -6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.310 9.842 -7.817 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.440 10.675 -6.543 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.090 8.417 -6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.840 7.331 -8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.495 7.166 -7.943 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.148 8.351 -9.224 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.481 9.313 -8.018 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.735 10.410 -8.643 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.144 10.594 -6.975 1.00 0.00 H new ATOM 660 N PRO A 45 -6.392 6.963 -6.894 1.00 0.00 N ATOM 661 CA PRO A 45 -6.443 5.518 -7.140 1.00 0.00 C ATOM 662 C PRO A 45 -5.187 5.004 -7.835 1.00 0.00 C ATOM 663 O PRO A 45 -4.931 5.327 -8.995 1.00 0.00 O ATOM 664 CB PRO A 45 -7.662 5.357 -8.051 1.00 0.00 C ATOM 665 CG PRO A 45 -7.804 6.674 -8.732 1.00 0.00 C ATOM 666 CD PRO A 45 -7.341 7.705 -7.740 1.00 0.00 C ATOM 0 HA PRO A 45 -6.508 4.948 -6.213 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.514 4.553 -8.772 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.555 5.110 -7.477 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.204 6.710 -9.641 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.838 6.852 -9.026 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.863 8.551 -8.234 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.172 8.104 -7.158 1.00 0.00 H new ATOM 674 N VAL A 46 -4.407 4.201 -7.119 1.00 0.00 N ATOM 675 CA VAL A 46 -3.178 3.640 -7.668 1.00 0.00 C ATOM 676 C VAL A 46 -3.478 2.650 -8.788 1.00 0.00 C ATOM 677 O VAL A 46 -4.244 1.705 -8.605 1.00 0.00 O ATOM 678 CB VAL A 46 -2.349 2.931 -6.580 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.099 2.307 -7.182 1.00 0.00 C ATOM 680 CG2 VAL A 46 -1.987 3.904 -5.469 1.00 0.00 C ATOM 0 H VAL A 46 -4.604 3.924 -6.157 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.601 4.474 -8.068 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.953 2.132 -6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.526 1.811 -6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.385 1.577 -7.939 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.488 3.085 -7.640 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.402 3.387 -4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.401 4.726 -5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.898 4.298 -5.019 1.00 0.00 H new ATOM 690 N GLN A 47 -2.869 2.875 -9.948 1.00 0.00 N ATOM 691 CA GLN A 47 -3.071 2.002 -11.099 1.00 0.00 C ATOM 692 C GLN A 47 -2.328 0.683 -10.918 1.00 0.00 C ATOM 693 O GLN A 47 -1.098 0.646 -10.929 1.00 0.00 O ATOM 694 CB GLN A 47 -2.602 2.694 -12.379 1.00 0.00 C ATOM 695 CG GLN A 47 -1.319 3.491 -12.206 1.00 0.00 C ATOM 696 CD GLN A 47 -1.576 4.930 -11.804 1.00 0.00 C ATOM 697 OE1 GLN A 47 -1.111 5.388 -10.760 1.00 0.00 O ATOM 698 NE2 GLN A 47 -2.319 5.653 -12.634 1.00 0.00 N ATOM 0 H GLN A 47 -2.232 3.654 -10.116 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.137 1.789 -11.180 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.451 1.942 -13.154 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.389 3.361 -12.731 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.697 3.012 -11.450 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.756 3.473 -13.139 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.684 5.233 -13.489 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.524 6.628 -12.417 1.00 0.00 H new ATOM 707 N GLU A 48 -3.083 -0.399 -10.753 1.00 0.00 N ATOM 708 CA GLU A 48 -2.494 -1.720 -10.569 1.00 0.00 C ATOM 709 C GLU A 48 -2.268 -2.407 -11.913 1.00 0.00 C ATOM 710 O GLU A 48 -3.134 -2.383 -12.788 1.00 0.00 O ATOM 711 CB GLU A 48 -3.396 -2.586 -9.687 1.00 0.00 C ATOM 712 CG GLU A 48 -3.147 -2.405 -8.199 1.00 0.00 C ATOM 713 CD GLU A 48 -4.365 -2.739 -7.359 1.00 0.00 C ATOM 714 OE1 GLU A 48 -5.098 -3.682 -7.725 1.00 0.00 O ATOM 715 OE2 GLU A 48 -4.583 -2.058 -6.336 1.00 0.00 O ATOM 0 H GLU A 48 -4.103 -0.386 -10.743 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.529 -1.594 -10.078 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.438 -2.349 -9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.246 -3.634 -9.947 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.315 -3.039 -7.894 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.849 -1.374 -8.007 1.00 0.00 H new ATOM 722 N SER A 49 -1.098 -3.017 -12.070 1.00 0.00 N ATOM 723 CA SER A 49 -0.755 -3.707 -13.308 1.00 0.00 C ATOM 724 C SER A 49 0.350 -4.731 -13.071 1.00 0.00 C ATOM 725 O SER A 49 0.840 -4.885 -11.952 1.00 0.00 O ATOM 726 CB SER A 49 -0.313 -2.700 -14.372 1.00 0.00 C ATOM 727 OG SER A 49 -0.616 -3.168 -15.674 1.00 0.00 O ATOM 0 H SER A 49 -0.371 -3.048 -11.355 1.00 0.00 H new ATOM 0 HA SER A 49 -1.643 -4.232 -13.661 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.809 -1.744 -14.201 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.759 -2.523 -14.286 1.00 0.00 H new ATOM 0 HG SER A 49 0.180 -3.585 -16.065 1.00 0.00 H new ATOM 733 N ASP A 50 0.738 -5.430 -14.132 1.00 0.00 N ATOM 734 CA ASP A 50 1.786 -6.440 -14.042 1.00 0.00 C ATOM 735 C ASP A 50 2.860 -6.020 -13.043 1.00 0.00 C ATOM 736 O ASP A 50 3.343 -6.835 -12.256 1.00 0.00 O ATOM 737 CB ASP A 50 2.414 -6.679 -15.416 1.00 0.00 C ATOM 738 CG ASP A 50 2.946 -5.403 -16.038 1.00 0.00 C ATOM 739 OD1 ASP A 50 2.148 -4.464 -16.242 1.00 0.00 O ATOM 740 OD2 ASP A 50 4.161 -5.343 -16.321 1.00 0.00 O ATOM 0 H ASP A 50 0.342 -5.316 -15.065 1.00 0.00 H new ATOM 0 HA ASP A 50 1.333 -7.368 -13.693 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.226 -7.400 -15.321 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.671 -7.121 -16.080 1.00 0.00 H new ATOM 745 N ARG A 51 3.231 -4.745 -13.083 1.00 0.00 N ATOM 746 CA ARG A 51 4.250 -4.217 -12.183 1.00 0.00 C ATOM 747 C ARG A 51 3.761 -4.235 -10.738 1.00 0.00 C ATOM 748 O ARG A 51 4.296 -4.962 -9.899 1.00 0.00 O ATOM 749 CB ARG A 51 4.629 -2.791 -12.587 1.00 0.00 C ATOM 750 CG ARG A 51 4.978 -2.648 -14.060 1.00 0.00 C ATOM 751 CD ARG A 51 6.382 -3.153 -14.352 1.00 0.00 C ATOM 752 NE ARG A 51 7.400 -2.158 -14.027 1.00 0.00 N ATOM 753 CZ ARG A 51 7.670 -1.105 -14.791 1.00 0.00 C ATOM 754 NH1 ARG A 51 7.000 -0.912 -15.919 1.00 0.00 N ATOM 755 NH2 ARG A 51 8.611 -0.244 -14.428 1.00 0.00 N ATOM 0 H ARG A 51 2.842 -4.058 -13.729 1.00 0.00 H new ATOM 0 HA ARG A 51 5.131 -4.855 -12.258 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.800 -2.123 -12.352 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.479 -2.466 -11.988 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.258 -3.204 -14.661 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.898 -1.601 -14.354 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.567 -4.061 -13.779 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.459 -3.420 -15.406 1.00 0.00 H new ATOM 0 HE ARG A 51 7.933 -2.278 -13.166 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.276 -1.573 -16.201 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.209 -0.103 -16.504 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.129 -0.390 -13.561 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.817 0.564 -15.016 1.00 0.00 H new ATOM 769 N LEU A 52 2.744 -3.430 -10.453 1.00 0.00 N ATOM 770 CA LEU A 52 2.183 -3.352 -9.109 1.00 0.00 C ATOM 771 C LEU A 52 1.133 -4.438 -8.893 1.00 0.00 C ATOM 772 O LEU A 52 0.102 -4.462 -9.567 1.00 0.00 O ATOM 773 CB LEU A 52 1.563 -1.974 -8.873 1.00 0.00 C ATOM 774 CG LEU A 52 1.335 -1.581 -7.412 1.00 0.00 C ATOM 775 CD1 LEU A 52 1.333 -0.068 -7.260 1.00 0.00 C ATOM 776 CD2 LEU A 52 0.031 -2.173 -6.898 1.00 0.00 C ATOM 0 H LEU A 52 2.291 -2.822 -11.135 1.00 0.00 H new ATOM 0 HA LEU A 52 2.992 -3.507 -8.395 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.207 -1.225 -9.334 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.606 -1.935 -9.393 1.00 0.00 H new ATOM 0 HG LEU A 52 2.153 -1.984 -6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.169 0.192 -6.214 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.293 0.332 -7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.535 0.358 -7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.115 -1.883 -5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.799 -1.801 -7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.072 -3.260 -6.970 1.00 0.00 H new ATOM 788 N LYS A 53 1.400 -5.333 -7.949 1.00 0.00 N ATOM 789 CA LYS A 53 0.478 -6.420 -7.641 1.00 0.00 C ATOM 790 C LYS A 53 0.107 -6.415 -6.161 1.00 0.00 C ATOM 791 O LYS A 53 0.978 -6.366 -5.292 1.00 0.00 O ATOM 792 CB LYS A 53 1.101 -7.766 -8.017 1.00 0.00 C ATOM 793 CG LYS A 53 0.291 -8.963 -7.547 1.00 0.00 C ATOM 794 CD LYS A 53 -0.760 -9.360 -8.570 1.00 0.00 C ATOM 795 CE LYS A 53 -1.091 -10.842 -8.482 1.00 0.00 C ATOM 796 NZ LYS A 53 -0.074 -11.680 -9.176 1.00 0.00 N ATOM 0 H LYS A 53 2.248 -5.327 -7.383 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.430 -6.271 -8.226 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.212 -7.816 -9.100 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.102 -7.825 -7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.958 -9.805 -7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.193 -8.727 -6.599 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.665 -8.774 -8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.401 -9.125 -9.572 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.153 -11.139 -7.435 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.072 -11.022 -8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.336 -12.683 -9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.033 -11.415 -10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.858 -11.528 -8.739 1.00 0.00 H new ATOM 810 N VAL A 54 -1.192 -6.467 -5.882 1.00 0.00 N ATOM 811 CA VAL A 54 -1.678 -6.472 -4.507 1.00 0.00 C ATOM 812 C VAL A 54 -2.085 -7.875 -4.073 1.00 0.00 C ATOM 813 O VAL A 54 -3.154 -8.364 -4.439 1.00 0.00 O ATOM 814 CB VAL A 54 -2.880 -5.524 -4.334 1.00 0.00 C ATOM 815 CG1 VAL A 54 -3.439 -5.622 -2.923 1.00 0.00 C ATOM 816 CG2 VAL A 54 -2.480 -4.092 -4.659 1.00 0.00 C ATOM 0 H VAL A 54 -1.926 -6.506 -6.589 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.857 -6.125 -3.880 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.662 -5.826 -5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.287 -4.945 -2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.765 -6.644 -2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.666 -5.347 -2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.341 -3.436 -4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.681 -3.776 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.131 -4.037 -5.690 1.00 0.00 H new ATOM 826 N VAL A 55 -1.226 -8.519 -3.289 1.00 0.00 N ATOM 827 CA VAL A 55 -1.496 -9.866 -2.803 1.00 0.00 C ATOM 828 C VAL A 55 -2.209 -9.832 -1.456 1.00 0.00 C ATOM 829 O VAL A 55 -1.928 -8.977 -0.616 1.00 0.00 O ATOM 830 CB VAL A 55 -0.198 -10.684 -2.664 1.00 0.00 C ATOM 831 CG1 VAL A 55 -0.487 -12.044 -2.048 1.00 0.00 C ATOM 832 CG2 VAL A 55 0.483 -10.835 -4.015 1.00 0.00 C ATOM 0 H VAL A 55 -0.337 -8.129 -2.977 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.141 -10.345 -3.540 1.00 0.00 H new ATOM 0 HB VAL A 55 0.479 -10.148 -1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.442 -12.607 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.927 -11.910 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.183 -12.591 -2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.398 -11.415 -3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.187 -11.348 -4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.727 -9.849 -4.412 1.00 0.00 H new ATOM 842 N GLN A 56 -3.132 -10.767 -1.256 1.00 0.00 N ATOM 843 CA GLN A 56 -3.885 -10.843 -0.010 1.00 0.00 C ATOM 844 C GLN A 56 -3.608 -12.156 0.714 1.00 0.00 C ATOM 845 O GLN A 56 -3.663 -13.231 0.116 1.00 0.00 O ATOM 846 CB GLN A 56 -5.383 -10.705 -0.286 1.00 0.00 C ATOM 847 CG GLN A 56 -6.228 -10.615 0.974 1.00 0.00 C ATOM 848 CD GLN A 56 -7.600 -10.025 0.716 1.00 0.00 C ATOM 849 OE1 GLN A 56 -7.976 -9.775 -0.429 1.00 0.00 O ATOM 850 NE2 GLN A 56 -8.358 -9.799 1.783 1.00 0.00 N ATOM 0 H GLN A 56 -3.376 -11.482 -1.941 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.564 -10.022 0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.552 -9.814 -0.891 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.715 -11.559 -0.876 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.340 -11.610 1.404 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.708 -10.006 1.713 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.007 -10.021 2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.291 -9.403 1.671 1.00 0.00 H new ATOM 859 N LYS A 57 -3.311 -12.063 2.006 1.00 0.00 N ATOM 860 CA LYS A 57 -3.026 -13.243 2.813 1.00 0.00 C ATOM 861 C LYS A 57 -3.832 -13.223 4.108 1.00 0.00 C ATOM 862 O LYS A 57 -3.412 -12.635 5.103 1.00 0.00 O ATOM 863 CB LYS A 57 -1.531 -13.320 3.131 1.00 0.00 C ATOM 864 CG LYS A 57 -0.708 -13.970 2.033 1.00 0.00 C ATOM 865 CD LYS A 57 -0.950 -15.469 1.968 1.00 0.00 C ATOM 866 CE LYS A 57 -0.293 -16.087 0.743 1.00 0.00 C ATOM 867 NZ LYS A 57 -1.091 -15.852 -0.492 1.00 0.00 N ATOM 0 H LYS A 57 -3.261 -11.181 2.517 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.315 -14.124 2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.154 -12.313 3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.393 -13.880 4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.959 -13.518 1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.351 -13.779 2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.559 -15.941 2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.022 -15.665 1.945 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.705 -15.668 0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.171 -17.159 0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.610 -16.288 -1.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.035 -16.274 -0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.186 -14.829 -0.655 1.00 0.00 H new ATOM 881 N GLY A 58 -4.992 -13.873 4.088 1.00 0.00 N ATOM 882 CA GLY A 58 -5.837 -13.918 5.267 1.00 0.00 C ATOM 883 C GLY A 58 -5.763 -12.643 6.083 1.00 0.00 C ATOM 884 O GLY A 58 -4.962 -12.539 7.012 1.00 0.00 O ATOM 0 H GLY A 58 -5.361 -14.369 3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.869 -14.092 4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.541 -14.762 5.890 1.00 0.00 H new ATOM 888 N ARG A 59 -6.598 -11.670 5.736 1.00 0.00 N ATOM 889 CA ARG A 59 -6.621 -10.395 6.441 1.00 0.00 C ATOM 890 C ARG A 59 -5.254 -9.720 6.390 1.00 0.00 C ATOM 891 O ARG A 59 -4.708 -9.321 7.419 1.00 0.00 O ATOM 892 CB ARG A 59 -7.046 -10.600 7.896 1.00 0.00 C ATOM 893 CG ARG A 59 -8.213 -11.560 8.060 1.00 0.00 C ATOM 894 CD ARG A 59 -8.764 -11.530 9.478 1.00 0.00 C ATOM 895 NE ARG A 59 -9.723 -12.606 9.715 1.00 0.00 N ATOM 896 CZ ARG A 59 -9.388 -13.891 9.765 1.00 0.00 C ATOM 897 NH1 ARG A 59 -8.125 -14.258 9.596 1.00 0.00 N ATOM 898 NH2 ARG A 59 -10.318 -14.812 9.985 1.00 0.00 N ATOM 0 H ARG A 59 -7.268 -11.740 4.970 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.345 -9.748 5.946 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.195 -10.975 8.465 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.317 -9.636 8.326 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.003 -11.298 7.356 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.890 -12.572 7.815 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.942 -11.614 10.188 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.245 -10.569 9.660 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.703 -12.358 9.849 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.407 -13.553 9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.871 -15.245 9.635 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.291 -14.534 10.116 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.060 -15.798 10.023 1.00 0.00 H new ATOM 912 N ILE A 60 -4.706 -9.596 5.186 1.00 0.00 N ATOM 913 CA ILE A 60 -3.403 -8.969 5.001 1.00 0.00 C ATOM 914 C ILE A 60 -3.268 -8.386 3.598 1.00 0.00 C ATOM 915 O ILE A 60 -3.299 -9.114 2.605 1.00 0.00 O ATOM 916 CB ILE A 60 -2.257 -9.971 5.241 1.00 0.00 C ATOM 917 CG1 ILE A 60 -2.359 -10.568 6.646 1.00 0.00 C ATOM 918 CG2 ILE A 60 -0.910 -9.292 5.044 1.00 0.00 C ATOM 919 CD1 ILE A 60 -1.287 -11.592 6.946 1.00 0.00 C ATOM 0 H ILE A 60 -5.144 -9.921 4.324 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.332 -8.166 5.734 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.343 -10.780 4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.297 -9.764 7.379 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.338 -11.033 6.764 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.111 -10.012 5.217 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.840 -8.910 4.025 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.813 -8.466 5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.421 -11.973 7.959 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.362 -12.415 6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.305 -11.127 6.860 1.00 0.00 H new ATOM 931 N HIS A 61 -3.116 -7.068 3.524 1.00 0.00 N ATOM 932 CA HIS A 61 -2.973 -6.386 2.242 1.00 0.00 C ATOM 933 C HIS A 61 -1.519 -5.998 1.992 1.00 0.00 C ATOM 934 O HIS A 61 -1.030 -5.000 2.524 1.00 0.00 O ATOM 935 CB HIS A 61 -3.859 -5.140 2.202 1.00 0.00 C ATOM 936 CG HIS A 61 -5.316 -5.436 2.387 1.00 0.00 C ATOM 937 ND1 HIS A 61 -6.160 -5.743 1.340 1.00 0.00 N ATOM 938 CD2 HIS A 61 -6.077 -5.471 3.505 1.00 0.00 C ATOM 939 CE1 HIS A 61 -7.378 -5.953 1.807 1.00 0.00 C ATOM 940 NE2 HIS A 61 -7.354 -5.794 3.118 1.00 0.00 N ATOM 0 H HIS A 61 -3.089 -6.451 4.336 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.288 -7.073 1.456 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.535 -4.449 2.980 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.718 -4.634 1.247 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -5.887 -5.799 0.359 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.742 -5.280 4.514 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -8.245 -6.211 1.217 1.00 0.00 H new ATOM 949 N LYS A 62 -0.830 -6.793 1.180 1.00 0.00 N ATOM 950 CA LYS A 62 0.568 -6.534 0.859 1.00 0.00 C ATOM 951 C LYS A 62 0.701 -5.913 -0.528 1.00 0.00 C ATOM 952 O LYS A 62 -0.076 -6.218 -1.433 1.00 0.00 O ATOM 953 CB LYS A 62 1.378 -7.831 0.929 1.00 0.00 C ATOM 954 CG LYS A 62 2.770 -7.712 0.334 1.00 0.00 C ATOM 955 CD LYS A 62 3.351 -9.075 -0.003 1.00 0.00 C ATOM 956 CE LYS A 62 3.298 -10.014 1.193 1.00 0.00 C ATOM 957 NZ LYS A 62 4.348 -11.067 1.118 1.00 0.00 N ATOM 0 H LYS A 62 -1.218 -7.623 0.732 1.00 0.00 H new ATOM 0 HA LYS A 62 0.959 -5.829 1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.463 -8.141 1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.834 -8.618 0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.730 -7.100 -0.567 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.425 -7.200 1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.798 -9.512 -0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.384 -8.960 -0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.424 -9.440 2.111 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.316 -10.484 1.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.279 -11.686 1.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.213 -11.631 0.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.287 -10.620 1.096 1.00 0.00 H new ATOM 971 N LEU A 63 1.692 -5.043 -0.689 1.00 0.00 N ATOM 972 CA LEU A 63 1.928 -4.380 -1.966 1.00 0.00 C ATOM 973 C LEU A 63 3.418 -4.141 -2.189 1.00 0.00 C ATOM 974 O LEU A 63 4.122 -3.670 -1.295 1.00 0.00 O ATOM 975 CB LEU A 63 1.173 -3.051 -2.021 1.00 0.00 C ATOM 976 CG LEU A 63 1.192 -2.323 -3.366 1.00 0.00 C ATOM 977 CD1 LEU A 63 0.058 -1.312 -3.442 1.00 0.00 C ATOM 978 CD2 LEU A 63 2.534 -1.639 -3.583 1.00 0.00 C ATOM 0 H LEU A 63 2.345 -4.780 0.049 1.00 0.00 H new ATOM 0 HA LEU A 63 1.561 -5.032 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.135 -3.234 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.592 -2.387 -1.265 1.00 0.00 H new ATOM 0 HG LEU A 63 1.049 -3.059 -4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.088 -0.804 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.896 -1.827 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.169 -0.580 -2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.530 -1.126 -4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.706 -0.915 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.328 -2.385 -3.573 1.00 0.00 H new ATOM 990 N VAL A 64 3.892 -4.467 -3.387 1.00 0.00 N ATOM 991 CA VAL A 64 5.298 -4.284 -3.728 1.00 0.00 C ATOM 992 C VAL A 64 5.463 -3.904 -5.195 1.00 0.00 C ATOM 993 O VAL A 64 4.829 -4.490 -6.074 1.00 0.00 O ATOM 994 CB VAL A 64 6.114 -5.560 -3.445 1.00 0.00 C ATOM 995 CG1 VAL A 64 5.282 -6.801 -3.730 1.00 0.00 C ATOM 996 CG2 VAL A 64 7.394 -5.566 -4.267 1.00 0.00 C ATOM 0 H VAL A 64 3.323 -4.859 -4.138 1.00 0.00 H new ATOM 0 HA VAL A 64 5.673 -3.474 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 64 6.386 -5.570 -2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.875 -7.692 -3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.397 -6.800 -3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.977 -6.802 -4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.958 -6.474 -4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.145 -5.533 -5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.997 -4.696 -4.008 1.00 0.00 H new ATOM 1006 N ILE A 65 6.318 -2.921 -5.454 1.00 0.00 N ATOM 1007 CA ILE A 65 6.567 -2.464 -6.815 1.00 0.00 C ATOM 1008 C ILE A 65 7.863 -3.051 -7.364 1.00 0.00 C ATOM 1009 O ILE A 65 8.852 -3.179 -6.643 1.00 0.00 O ATOM 1010 CB ILE A 65 6.641 -0.927 -6.888 1.00 0.00 C ATOM 1011 CG1 ILE A 65 5.318 -0.309 -6.432 1.00 0.00 C ATOM 1012 CG2 ILE A 65 6.982 -0.480 -8.302 1.00 0.00 C ATOM 1013 CD1 ILE A 65 5.314 1.204 -6.468 1.00 0.00 C ATOM 0 H ILE A 65 6.850 -2.425 -4.739 1.00 0.00 H new ATOM 0 HA ILE A 65 5.730 -2.809 -7.422 1.00 0.00 H new ATOM 0 HB ILE A 65 7.430 -0.583 -6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.514 -0.682 -7.067 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.102 -0.641 -5.416 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.031 0.608 -8.338 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.947 -0.896 -8.592 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.213 -0.832 -8.990 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.345 1.573 -6.132 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.096 1.586 -5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.498 1.544 -7.487 1.00 0.00 H new ATOM 1025 N ALA A 66 7.851 -3.404 -8.645 1.00 0.00 N ATOM 1026 CA ALA A 66 9.026 -3.974 -9.291 1.00 0.00 C ATOM 1027 C ALA A 66 10.189 -2.986 -9.286 1.00 0.00 C ATOM 1028 O ALA A 66 11.269 -3.289 -8.781 1.00 0.00 O ATOM 1029 CB ALA A 66 8.694 -4.392 -10.716 1.00 0.00 C ATOM 0 H ALA A 66 7.040 -3.305 -9.256 1.00 0.00 H new ATOM 0 HA ALA A 66 9.329 -4.855 -8.726 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.581 -4.816 -11.187 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.899 -5.138 -10.701 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.363 -3.522 -11.283 1.00 0.00 H new ATOM 1035 N ASN A 67 9.959 -1.805 -9.850 1.00 0.00 N ATOM 1036 CA ASN A 67 10.988 -0.774 -9.911 1.00 0.00 C ATOM 1037 C ASN A 67 10.489 0.530 -9.295 1.00 0.00 C ATOM 1038 O ASN A 67 9.576 1.166 -9.821 1.00 0.00 O ATOM 1039 CB ASN A 67 11.416 -0.536 -11.360 1.00 0.00 C ATOM 1040 CG ASN A 67 12.420 -1.565 -11.843 1.00 0.00 C ATOM 1041 OD1 ASN A 67 13.573 -1.238 -12.124 1.00 0.00 O ATOM 1042 ND2 ASN A 67 11.984 -2.815 -11.942 1.00 0.00 N ATOM 0 H ASN A 67 9.069 -1.538 -10.271 1.00 0.00 H new ATOM 0 HA ASN A 67 11.848 -1.120 -9.338 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.537 -0.560 -12.004 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.849 0.460 -11.449 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.614 -3.551 -12.262 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.019 -3.040 -11.698 1.00 0.00 H new ATOM 1049 N ALA A 68 11.095 0.921 -8.179 1.00 0.00 N ATOM 1050 CA ALA A 68 10.714 2.150 -7.493 1.00 0.00 C ATOM 1051 C ALA A 68 11.112 3.377 -8.305 1.00 0.00 C ATOM 1052 O ALA A 68 12.249 3.489 -8.764 1.00 0.00 O ATOM 1053 CB ALA A 68 11.347 2.201 -6.111 1.00 0.00 C ATOM 0 H ALA A 68 11.852 0.405 -7.730 1.00 0.00 H new ATOM 0 HA ALA A 68 9.629 2.155 -7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.054 3.124 -5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.009 1.347 -5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.432 2.169 -6.207 1.00 0.00 H new ATOM 1059 N LEU A 69 10.168 4.296 -8.481 1.00 0.00 N ATOM 1060 CA LEU A 69 10.420 5.516 -9.240 1.00 0.00 C ATOM 1061 C LEU A 69 10.498 6.726 -8.314 1.00 0.00 C ATOM 1062 O LEU A 69 10.262 6.617 -7.110 1.00 0.00 O ATOM 1063 CB LEU A 69 9.321 5.728 -10.283 1.00 0.00 C ATOM 1064 CG LEU A 69 9.087 4.571 -11.255 1.00 0.00 C ATOM 1065 CD1 LEU A 69 8.052 3.607 -10.697 1.00 0.00 C ATOM 1066 CD2 LEU A 69 8.651 5.097 -12.615 1.00 0.00 C ATOM 0 H LEU A 69 9.222 4.219 -8.108 1.00 0.00 H new ATOM 0 HA LEU A 69 11.378 5.407 -9.748 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.386 5.932 -9.761 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.564 6.619 -10.862 1.00 0.00 H new ATOM 0 HG LEU A 69 10.026 4.031 -11.381 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.898 2.790 -11.402 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.404 3.205 -9.747 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.111 4.134 -10.541 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.489 4.260 -13.294 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.725 5.661 -12.507 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.427 5.747 -13.019 1.00 0.00 H new ATOM 1078 N THR A 70 10.829 7.881 -8.884 1.00 0.00 N ATOM 1079 CA THR A 70 10.937 9.111 -8.111 1.00 0.00 C ATOM 1080 C THR A 70 9.560 9.684 -7.794 1.00 0.00 C ATOM 1081 O THR A 70 9.439 10.657 -7.051 1.00 0.00 O ATOM 1082 CB THR A 70 11.763 10.174 -8.859 1.00 0.00 C ATOM 1083 OG1 THR A 70 12.820 9.546 -9.593 1.00 0.00 O ATOM 1084 CG2 THR A 70 12.347 11.189 -7.888 1.00 0.00 C ATOM 0 H THR A 70 11.027 7.989 -9.879 1.00 0.00 H new ATOM 0 HA THR A 70 11.444 8.856 -7.181 1.00 0.00 H new ATOM 0 HB THR A 70 11.101 10.696 -9.550 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.339 10.229 -10.067 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.926 11.929 -8.440 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.539 11.687 -7.352 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.995 10.679 -7.175 1.00 0.00 H new ATOM 1092 N GLU A 71 8.525 9.074 -8.363 1.00 0.00 N ATOM 1093 CA GLU A 71 7.156 9.526 -8.141 1.00 0.00 C ATOM 1094 C GLU A 71 6.442 8.623 -7.138 1.00 0.00 C ATOM 1095 O GLU A 71 5.592 9.078 -6.373 1.00 0.00 O ATOM 1096 CB GLU A 71 6.383 9.552 -9.461 1.00 0.00 C ATOM 1097 CG GLU A 71 6.304 8.198 -10.146 1.00 0.00 C ATOM 1098 CD GLU A 71 5.665 8.276 -11.520 1.00 0.00 C ATOM 1099 OE1 GLU A 71 6.358 8.686 -12.474 1.00 0.00 O ATOM 1100 OE2 GLU A 71 4.472 7.928 -11.639 1.00 0.00 O ATOM 0 H GLU A 71 8.608 8.266 -8.980 1.00 0.00 H new ATOM 0 HA GLU A 71 7.195 10.536 -7.732 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.372 9.915 -9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.857 10.264 -10.136 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.308 7.783 -10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.732 7.512 -9.522 1.00 0.00 H new ATOM 1107 N ASP A 72 6.794 7.342 -7.149 1.00 0.00 N ATOM 1108 CA ASP A 72 6.188 6.375 -6.242 1.00 0.00 C ATOM 1109 C ASP A 72 6.133 6.925 -4.820 1.00 0.00 C ATOM 1110 O ASP A 72 5.102 6.845 -4.153 1.00 0.00 O ATOM 1111 CB ASP A 72 6.972 5.062 -6.264 1.00 0.00 C ATOM 1112 CG ASP A 72 6.874 4.307 -4.953 1.00 0.00 C ATOM 1113 OD1 ASP A 72 7.311 4.854 -3.919 1.00 0.00 O ATOM 1114 OD2 ASP A 72 6.358 3.170 -4.961 1.00 0.00 O ATOM 0 H ASP A 72 7.496 6.949 -7.776 1.00 0.00 H new ATOM 0 HA ASP A 72 5.169 6.186 -6.579 1.00 0.00 H new ATOM 0 HB2 ASP A 72 6.598 4.432 -7.071 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.019 5.271 -6.482 1.00 0.00 H new ATOM 1119 N GLU A 73 7.250 7.482 -4.362 1.00 0.00 N ATOM 1120 CA GLU A 73 7.328 8.043 -3.019 1.00 0.00 C ATOM 1121 C GLU A 73 6.157 8.985 -2.753 1.00 0.00 C ATOM 1122 O GLU A 73 5.416 9.344 -3.667 1.00 0.00 O ATOM 1123 CB GLU A 73 8.650 8.790 -2.830 1.00 0.00 C ATOM 1124 CG GLU A 73 8.569 10.268 -3.177 1.00 0.00 C ATOM 1125 CD GLU A 73 9.892 10.985 -2.987 1.00 0.00 C ATOM 1126 OE1 GLU A 73 10.393 11.010 -1.843 1.00 0.00 O ATOM 1127 OE2 GLU A 73 10.425 11.521 -3.980 1.00 0.00 O ATOM 0 H GLU A 73 8.113 7.557 -4.901 1.00 0.00 H new ATOM 0 HA GLU A 73 7.279 7.220 -2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.972 8.686 -1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.414 8.321 -3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.246 10.377 -4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.810 10.742 -2.555 1.00 0.00 H new ATOM 1134 N GLY A 74 5.996 9.379 -1.493 1.00 0.00 N ATOM 1135 CA GLY A 74 4.914 10.274 -1.129 1.00 0.00 C ATOM 1136 C GLY A 74 4.166 9.808 0.105 1.00 0.00 C ATOM 1137 O GLY A 74 4.769 9.571 1.152 1.00 0.00 O ATOM 0 H GLY A 74 6.596 9.094 -0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.316 11.271 -0.951 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.217 10.355 -1.963 1.00 0.00 H new ATOM 1141 N ASP A 75 2.850 9.676 -0.018 1.00 0.00 N ATOM 1142 CA ASP A 75 2.019 9.235 1.096 1.00 0.00 C ATOM 1143 C ASP A 75 1.038 8.155 0.649 1.00 0.00 C ATOM 1144 O ASP A 75 0.055 8.440 -0.035 1.00 0.00 O ATOM 1145 CB ASP A 75 1.255 10.420 1.691 1.00 0.00 C ATOM 1146 CG ASP A 75 2.180 11.492 2.232 1.00 0.00 C ATOM 1147 OD1 ASP A 75 2.900 11.214 3.213 1.00 0.00 O ATOM 1148 OD2 ASP A 75 2.184 12.610 1.674 1.00 0.00 O ATOM 0 H ASP A 75 2.336 9.868 -0.878 1.00 0.00 H new ATOM 0 HA ASP A 75 2.673 8.813 1.859 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.609 10.853 0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.607 10.065 2.492 1.00 0.00 H new ATOM 1153 N TYR A 76 1.314 6.916 1.038 1.00 0.00 N ATOM 1154 CA TYR A 76 0.459 5.792 0.675 1.00 0.00 C ATOM 1155 C TYR A 76 -0.649 5.595 1.705 1.00 0.00 C ATOM 1156 O TYR A 76 -0.401 5.612 2.911 1.00 0.00 O ATOM 1157 CB TYR A 76 1.288 4.513 0.549 1.00 0.00 C ATOM 1158 CG TYR A 76 2.057 4.415 -0.749 1.00 0.00 C ATOM 1159 CD1 TYR A 76 3.196 5.181 -0.964 1.00 0.00 C ATOM 1160 CD2 TYR A 76 1.645 3.557 -1.761 1.00 0.00 C ATOM 1161 CE1 TYR A 76 3.902 5.095 -2.148 1.00 0.00 C ATOM 1162 CE2 TYR A 76 2.345 3.464 -2.948 1.00 0.00 C ATOM 1163 CZ TYR A 76 3.473 4.235 -3.137 1.00 0.00 C ATOM 1164 OH TYR A 76 4.172 4.146 -4.319 1.00 0.00 O ATOM 0 H TYR A 76 2.124 6.664 1.605 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.001 6.015 -0.288 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.989 4.461 1.382 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.626 3.651 0.635 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.535 5.856 -0.192 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.762 2.952 -1.617 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.785 5.698 -2.298 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.011 2.791 -3.724 1.00 0.00 H new ATOM 0 HH TYR A 76 4.709 3.326 -4.321 1.00 0.00 H new ATOM 1174 N VAL A 77 -1.872 5.407 1.220 1.00 0.00 N ATOM 1175 CA VAL A 77 -3.019 5.204 2.097 1.00 0.00 C ATOM 1176 C VAL A 77 -3.865 4.024 1.632 1.00 0.00 C ATOM 1177 O VAL A 77 -4.131 3.869 0.440 1.00 0.00 O ATOM 1178 CB VAL A 77 -3.905 6.462 2.163 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -5.209 6.160 2.885 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -3.161 7.602 2.843 1.00 0.00 C ATOM 0 H VAL A 77 -2.094 5.391 0.225 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.624 4.994 3.091 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.144 6.770 1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.822 7.061 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.747 5.377 2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.994 5.826 3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.802 8.483 2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.890 7.306 3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.258 7.834 2.279 1.00 0.00 H new ATOM 1190 N PHE A 78 -4.286 3.194 2.581 1.00 0.00 N ATOM 1191 CA PHE A 78 -5.102 2.027 2.268 1.00 0.00 C ATOM 1192 C PHE A 78 -6.549 2.243 2.702 1.00 0.00 C ATOM 1193 O PHE A 78 -6.814 2.657 3.830 1.00 0.00 O ATOM 1194 CB PHE A 78 -4.533 0.782 2.952 1.00 0.00 C ATOM 1195 CG PHE A 78 -5.391 -0.439 2.784 1.00 0.00 C ATOM 1196 CD1 PHE A 78 -5.469 -1.085 1.561 1.00 0.00 C ATOM 1197 CD2 PHE A 78 -6.119 -0.943 3.850 1.00 0.00 C ATOM 1198 CE1 PHE A 78 -6.258 -2.208 1.404 1.00 0.00 C ATOM 1199 CE2 PHE A 78 -6.910 -2.066 3.699 1.00 0.00 C ATOM 1200 CZ PHE A 78 -6.978 -2.700 2.474 1.00 0.00 C ATOM 0 H PHE A 78 -4.076 3.308 3.573 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.083 1.880 1.188 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.541 0.577 2.549 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.409 0.986 4.016 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.906 -0.706 0.721 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.068 -0.452 4.811 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.311 -2.701 0.444 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.474 -2.447 4.537 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.593 -3.579 2.353 1.00 0.00 H new ATOM 1210 N ALA A 79 -7.481 1.960 1.798 1.00 0.00 N ATOM 1211 CA ALA A 79 -8.900 2.121 2.087 1.00 0.00 C ATOM 1212 C ALA A 79 -9.685 0.873 1.697 1.00 0.00 C ATOM 1213 O ALA A 79 -9.810 0.531 0.521 1.00 0.00 O ATOM 1214 CB ALA A 79 -9.451 3.341 1.363 1.00 0.00 C ATOM 0 H ALA A 79 -7.278 1.618 0.859 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.012 2.268 3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.512 3.449 1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.917 4.232 1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.319 3.217 0.288 1.00 0.00 H new ATOM 1220 N PRO A 80 -10.226 0.175 2.706 1.00 0.00 N ATOM 1221 CA PRO A 80 -11.008 -1.047 2.493 1.00 0.00 C ATOM 1222 C PRO A 80 -12.355 -0.766 1.836 1.00 0.00 C ATOM 1223 O PRO A 80 -12.938 0.302 2.024 1.00 0.00 O ATOM 1224 CB PRO A 80 -11.208 -1.592 3.910 1.00 0.00 C ATOM 1225 CG PRO A 80 -11.106 -0.396 4.793 1.00 0.00 C ATOM 1226 CD PRO A 80 -10.117 0.524 4.133 1.00 0.00 C ATOM 0 HA PRO A 80 -10.503 -1.742 1.821 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.177 -2.079 4.014 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.450 -2.334 4.159 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.075 0.090 4.906 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.772 -0.676 5.792 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.362 1.571 4.310 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.107 0.365 4.510 1.00 0.00 H new ATOM 1234 N ASP A 81 -12.844 -1.730 1.064 1.00 0.00 N ATOM 1235 CA ASP A 81 -14.124 -1.587 0.380 1.00 0.00 C ATOM 1236 C ASP A 81 -15.280 -1.943 1.309 1.00 0.00 C ATOM 1237 O ASP A 81 -16.408 -2.146 0.862 1.00 0.00 O ATOM 1238 CB ASP A 81 -14.163 -2.474 -0.865 1.00 0.00 C ATOM 1239 CG ASP A 81 -15.080 -1.924 -1.940 1.00 0.00 C ATOM 1240 OD1 ASP A 81 -14.938 -0.733 -2.288 1.00 0.00 O ATOM 1241 OD2 ASP A 81 -15.940 -2.684 -2.432 1.00 0.00 O ATOM 0 H ASP A 81 -12.373 -2.619 0.896 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.232 -0.545 0.078 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.155 -2.574 -1.268 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.495 -3.474 -0.585 1.00 0.00 H new ATOM 1246 N ALA A 82 -14.991 -2.016 2.604 1.00 0.00 N ATOM 1247 CA ALA A 82 -16.006 -2.347 3.596 1.00 0.00 C ATOM 1248 C ALA A 82 -16.082 -1.277 4.681 1.00 0.00 C ATOM 1249 O ALA A 82 -17.103 -1.134 5.354 1.00 0.00 O ATOM 1250 CB ALA A 82 -15.719 -3.707 4.213 1.00 0.00 C ATOM 0 H ALA A 82 -14.062 -1.850 2.991 1.00 0.00 H new ATOM 0 HA ALA A 82 -16.972 -2.386 3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -16.486 -3.940 4.952 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.723 -4.468 3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.742 -3.688 4.697 1.00 0.00 H new ATOM 1256 N TYR A 83 -14.996 -0.531 4.846 1.00 0.00 N ATOM 1257 CA TYR A 83 -14.939 0.523 5.852 1.00 0.00 C ATOM 1258 C TYR A 83 -14.248 1.767 5.299 1.00 0.00 C ATOM 1259 O TYR A 83 -13.828 1.795 4.143 1.00 0.00 O ATOM 1260 CB TYR A 83 -14.202 0.029 7.098 1.00 0.00 C ATOM 1261 CG TYR A 83 -14.729 -1.284 7.631 1.00 0.00 C ATOM 1262 CD1 TYR A 83 -14.234 -2.495 7.164 1.00 0.00 C ATOM 1263 CD2 TYR A 83 -15.723 -1.313 8.602 1.00 0.00 C ATOM 1264 CE1 TYR A 83 -14.713 -3.697 7.648 1.00 0.00 C ATOM 1265 CE2 TYR A 83 -16.206 -2.511 9.093 1.00 0.00 C ATOM 1266 CZ TYR A 83 -15.699 -3.700 8.613 1.00 0.00 C ATOM 1267 OH TYR A 83 -16.179 -4.894 9.098 1.00 0.00 O ATOM 0 H TYR A 83 -14.143 -0.636 4.296 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.961 0.787 6.123 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.143 -0.082 6.864 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.278 0.786 7.879 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.461 -2.497 6.409 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -16.125 -0.384 8.979 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -14.318 -4.629 7.273 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -16.977 -2.516 9.849 1.00 0.00 H new ATOM 0 HH TYR A 83 -16.035 -4.935 10.067 1.00 0.00 H new ATOM 1277 N ASN A 84 -14.134 2.793 6.135 1.00 0.00 N ATOM 1278 CA ASN A 84 -13.495 4.040 5.732 1.00 0.00 C ATOM 1279 C ASN A 84 -12.145 4.208 6.424 1.00 0.00 C ATOM 1280 O ASN A 84 -11.634 5.321 6.549 1.00 0.00 O ATOM 1281 CB ASN A 84 -14.399 5.230 6.058 1.00 0.00 C ATOM 1282 CG ASN A 84 -15.069 5.093 7.412 1.00 0.00 C ATOM 1283 OD1 ASN A 84 -16.296 5.115 7.514 1.00 0.00 O ATOM 1284 ND2 ASN A 84 -14.265 4.951 8.458 1.00 0.00 N ATOM 0 H ASN A 84 -14.476 2.786 7.096 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.330 4.003 4.655 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -13.810 6.147 6.038 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -15.162 5.325 5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -14.658 4.854 9.394 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.254 4.938 8.326 1.00 0.00 H new ATOM 1291 N VAL A 85 -11.573 3.095 6.872 1.00 0.00 N ATOM 1292 CA VAL A 85 -10.283 3.118 7.549 1.00 0.00 C ATOM 1293 C VAL A 85 -9.187 3.640 6.627 1.00 0.00 C ATOM 1294 O VAL A 85 -9.194 3.376 5.424 1.00 0.00 O ATOM 1295 CB VAL A 85 -9.889 1.717 8.055 1.00 0.00 C ATOM 1296 CG1 VAL A 85 -8.639 1.793 8.918 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -11.040 1.086 8.823 1.00 0.00 C ATOM 0 H VAL A 85 -11.983 2.166 6.778 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.386 3.789 8.402 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.668 1.087 7.194 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.376 0.794 9.266 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.816 2.201 8.331 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -8.828 2.438 9.776 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.745 0.097 9.173 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.294 1.713 9.678 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.907 0.995 8.169 1.00 0.00 H new ATOM 1307 N THR A 86 -8.244 4.383 7.198 1.00 0.00 N ATOM 1308 CA THR A 86 -7.141 4.943 6.428 1.00 0.00 C ATOM 1309 C THR A 86 -5.806 4.706 7.126 1.00 0.00 C ATOM 1310 O THR A 86 -5.592 5.163 8.250 1.00 0.00 O ATOM 1311 CB THR A 86 -7.326 6.455 6.198 1.00 0.00 C ATOM 1312 OG1 THR A 86 -7.328 7.144 7.453 1.00 0.00 O ATOM 1313 CG2 THR A 86 -8.625 6.734 5.458 1.00 0.00 C ATOM 0 H THR A 86 -8.222 4.611 8.192 1.00 0.00 H new ATOM 0 HA THR A 86 -7.139 4.434 5.464 1.00 0.00 H new ATOM 0 HB THR A 86 -6.496 6.813 5.589 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.770 6.657 8.095 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.734 7.808 5.307 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.608 6.231 4.491 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.465 6.363 6.045 1.00 0.00 H new ATOM 1321 N LEU A 87 -4.911 3.990 6.454 1.00 0.00 N ATOM 1322 CA LEU A 87 -3.596 3.694 7.011 1.00 0.00 C ATOM 1323 C LEU A 87 -2.510 4.496 6.300 1.00 0.00 C ATOM 1324 O LEU A 87 -2.105 4.182 5.180 1.00 0.00 O ATOM 1325 CB LEU A 87 -3.298 2.198 6.896 1.00 0.00 C ATOM 1326 CG LEU A 87 -4.243 1.265 7.654 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -5.654 1.366 7.095 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -3.743 -0.171 7.588 1.00 0.00 C ATOM 0 H LEU A 87 -5.072 3.604 5.524 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.602 3.978 8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.318 1.924 5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.283 2.022 7.252 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.265 1.573 8.699 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.313 0.695 7.647 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.013 2.390 7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.649 1.085 6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.428 -0.820 8.133 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.691 -0.491 6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.751 -0.232 8.037 1.00 0.00 H new ATOM 1340 N PRO A 88 -2.026 5.555 6.964 1.00 0.00 N ATOM 1341 CA PRO A 88 -0.979 6.423 6.416 1.00 0.00 C ATOM 1342 C PRO A 88 0.375 5.724 6.347 1.00 0.00 C ATOM 1343 O PRO A 88 0.779 5.040 7.286 1.00 0.00 O ATOM 1344 CB PRO A 88 -0.929 7.588 7.407 1.00 0.00 C ATOM 1345 CG PRO A 88 -1.439 7.020 8.687 1.00 0.00 C ATOM 1346 CD PRO A 88 -2.463 5.988 8.302 1.00 0.00 C ATOM 0 HA PRO A 88 -1.195 6.726 5.392 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.086 7.968 7.520 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.546 8.421 7.070 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.631 6.571 9.265 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -1.883 7.797 9.310 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.481 5.157 9.007 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.468 6.409 8.280 1.00 0.00 H new ATOM 1354 N ALA A 89 1.070 5.902 5.228 1.00 0.00 N ATOM 1355 CA ALA A 89 2.380 5.291 5.038 1.00 0.00 C ATOM 1356 C ALA A 89 3.349 6.264 4.375 1.00 0.00 C ATOM 1357 O ALA A 89 3.127 6.707 3.248 1.00 0.00 O ATOM 1358 CB ALA A 89 2.254 4.021 4.209 1.00 0.00 C ATOM 0 H ALA A 89 0.748 6.464 4.440 1.00 0.00 H new ATOM 0 HA ALA A 89 2.780 5.034 6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.239 3.575 4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.603 3.314 4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.829 4.263 3.235 1.00 0.00 H new ATOM 1364 N LYS A 90 4.424 6.595 5.082 1.00 0.00 N ATOM 1365 CA LYS A 90 5.428 7.515 4.563 1.00 0.00 C ATOM 1366 C LYS A 90 6.505 6.765 3.785 1.00 0.00 C ATOM 1367 O LYS A 90 6.965 5.705 4.209 1.00 0.00 O ATOM 1368 CB LYS A 90 6.068 8.304 5.708 1.00 0.00 C ATOM 1369 CG LYS A 90 5.115 9.272 6.386 1.00 0.00 C ATOM 1370 CD LYS A 90 5.747 9.911 7.611 1.00 0.00 C ATOM 1371 CE LYS A 90 4.963 11.131 8.072 1.00 0.00 C ATOM 1372 NZ LYS A 90 3.803 10.754 8.926 1.00 0.00 N ATOM 0 H LYS A 90 4.622 6.239 6.017 1.00 0.00 H new ATOM 0 HA LYS A 90 4.931 8.209 3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.451 7.604 6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.923 8.859 5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.821 10.049 5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.206 8.745 6.677 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.795 9.181 8.419 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.773 10.201 7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.622 11.797 8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.609 11.685 7.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.295 11.612 9.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.161 10.138 8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.142 10.247 9.769 1.00 0.00 H new ATOM 1386 N VAL A 91 6.902 7.322 2.646 1.00 0.00 N ATOM 1387 CA VAL A 91 7.926 6.706 1.810 1.00 0.00 C ATOM 1388 C VAL A 91 8.779 7.763 1.117 1.00 0.00 C ATOM 1389 O VAL A 91 8.317 8.874 0.855 1.00 0.00 O ATOM 1390 CB VAL A 91 7.303 5.785 0.745 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.237 4.352 1.249 1.00 0.00 C ATOM 1392 CG2 VAL A 91 5.920 6.285 0.352 1.00 0.00 C ATOM 0 H VAL A 91 6.530 8.199 2.281 1.00 0.00 H new ATOM 0 HA VAL A 91 8.556 6.110 2.470 1.00 0.00 H new ATOM 0 HB VAL A 91 7.937 5.803 -0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.794 3.717 0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.243 3.999 1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.627 4.311 2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.494 5.622 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.275 6.298 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.000 7.293 -0.055 1.00 0.00 H new ATOM 1402 N HIS A 92 10.025 7.409 0.821 1.00 0.00 N ATOM 1403 CA HIS A 92 10.943 8.327 0.157 1.00 0.00 C ATOM 1404 C HIS A 92 11.820 7.586 -0.848 1.00 0.00 C ATOM 1405 O HIS A 92 12.187 6.431 -0.634 1.00 0.00 O ATOM 1406 CB HIS A 92 11.819 9.041 1.187 1.00 0.00 C ATOM 1407 CG HIS A 92 12.489 10.270 0.654 1.00 0.00 C ATOM 1408 ND1 HIS A 92 11.797 11.403 0.280 1.00 0.00 N ATOM 1409 CD2 HIS A 92 13.797 10.541 0.435 1.00 0.00 C ATOM 1410 CE1 HIS A 92 12.651 12.316 -0.147 1.00 0.00 C ATOM 1411 NE2 HIS A 92 13.871 11.818 -0.063 1.00 0.00 N ATOM 0 H HIS A 92 10.422 6.493 1.030 1.00 0.00 H new ATOM 0 HA HIS A 92 10.351 9.068 -0.380 1.00 0.00 H new ATOM 0 HB2 HIS A 92 11.206 9.315 2.046 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.580 8.349 1.546 1.00 0.00 H new ATOM 0 HD1 HIS A 92 10.785 11.518 0.326 1.00 0.00 H new ATOM 0 HD2 HIS A 92 14.628 9.876 0.618 1.00 0.00 H new ATOM 0 HE1 HIS A 92 12.395 13.302 -0.504 1.00 0.00 H new ATOM 1420 N VAL A 93 12.153 8.259 -1.945 1.00 0.00 N ATOM 1421 CA VAL A 93 12.987 7.665 -2.983 1.00 0.00 C ATOM 1422 C VAL A 93 14.273 8.461 -3.177 1.00 0.00 C ATOM 1423 O VAL A 93 14.245 9.686 -3.292 1.00 0.00 O ATOM 1424 CB VAL A 93 12.239 7.583 -4.327 1.00 0.00 C ATOM 1425 CG1 VAL A 93 11.789 8.966 -4.772 1.00 0.00 C ATOM 1426 CG2 VAL A 93 13.115 6.932 -5.386 1.00 0.00 C ATOM 0 H VAL A 93 11.858 9.216 -2.138 1.00 0.00 H new ATOM 0 HA VAL A 93 13.234 6.656 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 93 11.352 6.964 -4.192 1.00 0.00 H new ATOM 0 HG11 VAL A 93 11.262 8.889 -5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.122 9.391 -4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.659 9.611 -4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 93 12.570 6.883 -6.329 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.021 7.522 -5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.382 5.924 -5.068 1.00 0.00 H new ATOM 1436 N ILE A 94 15.399 7.756 -3.214 1.00 0.00 N ATOM 1437 CA ILE A 94 16.695 8.397 -3.396 1.00 0.00 C ATOM 1438 C ILE A 94 17.264 8.103 -4.780 1.00 0.00 C ATOM 1439 O ILE A 94 17.209 6.969 -5.257 1.00 0.00 O ATOM 1440 CB ILE A 94 17.706 7.936 -2.329 1.00 0.00 C ATOM 1441 CG1 ILE A 94 16.986 7.613 -1.019 1.00 0.00 C ATOM 1442 CG2 ILE A 94 18.766 9.004 -2.108 1.00 0.00 C ATOM 1443 CD1 ILE A 94 17.896 7.042 0.046 1.00 0.00 C ATOM 0 H ILE A 94 15.440 6.741 -3.120 1.00 0.00 H new ATOM 0 HA ILE A 94 16.534 9.470 -3.292 1.00 0.00 H new ATOM 0 HB ILE A 94 18.199 7.031 -2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 94 16.519 8.521 -0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 94 16.185 6.902 -1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 94 19.473 8.664 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 94 19.296 9.190 -3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 94 18.290 9.925 -1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 94 17.318 6.837 0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 94 18.344 6.117 -0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 94 18.683 7.760 0.276 1.00 0.00 H new ATOM 1455 N SER A 95 17.812 9.131 -5.420 1.00 0.00 N ATOM 1456 CA SER A 95 18.389 8.984 -6.750 1.00 0.00 C ATOM 1457 C SER A 95 19.839 9.460 -6.769 1.00 0.00 C ATOM 1458 O SER A 95 20.312 10.082 -5.819 1.00 0.00 O ATOM 1459 CB SER A 95 17.569 9.770 -7.775 1.00 0.00 C ATOM 1460 OG SER A 95 16.207 9.382 -7.743 1.00 0.00 O ATOM 0 H SER A 95 17.868 10.075 -5.038 1.00 0.00 H new ATOM 0 HA SER A 95 18.368 7.926 -7.013 1.00 0.00 H new ATOM 0 HB2 SER A 95 17.651 10.837 -7.570 1.00 0.00 H new ATOM 0 HB3 SER A 95 17.974 9.605 -8.773 1.00 0.00 H new ATOM 0 HG SER A 95 15.677 10.003 -8.285 1.00 0.00 H new ATOM 1466 N GLY A 96 20.539 9.163 -7.859 1.00 0.00 N ATOM 1467 CA GLY A 96 21.927 9.567 -7.983 1.00 0.00 C ATOM 1468 C GLY A 96 22.592 8.989 -9.216 1.00 0.00 C ATOM 1469 O GLY A 96 21.974 8.272 -10.002 1.00 0.00 O ATOM 0 H GLY A 96 20.169 8.649 -8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 96 21.983 10.655 -8.020 1.00 0.00 H new ATOM 0 HA3 GLY A 96 22.475 9.249 -7.096 1.00 0.00 H new ATOM 1473 N PRO A 97 23.883 9.304 -9.400 1.00 0.00 N ATOM 1474 CA PRO A 97 24.660 8.823 -10.546 1.00 0.00 C ATOM 1475 C PRO A 97 24.935 7.325 -10.471 1.00 0.00 C ATOM 1476 O PRO A 97 25.398 6.720 -11.439 1.00 0.00 O ATOM 1477 CB PRO A 97 25.968 9.612 -10.445 1.00 0.00 C ATOM 1478 CG PRO A 97 26.089 9.961 -9.002 1.00 0.00 C ATOM 1479 CD PRO A 97 24.683 10.155 -8.503 1.00 0.00 C ATOM 0 HA PRO A 97 24.130 8.969 -11.487 1.00 0.00 H new ATOM 0 HB2 PRO A 97 26.817 9.016 -10.781 1.00 0.00 H new ATOM 0 HB3 PRO A 97 25.940 10.506 -11.068 1.00 0.00 H new ATOM 0 HG2 PRO A 97 26.593 9.168 -8.450 1.00 0.00 H new ATOM 0 HG3 PRO A 97 26.679 10.868 -8.868 1.00 0.00 H new ATOM 0 HD2 PRO A 97 24.580 9.850 -7.462 1.00 0.00 H new ATOM 0 HD3 PRO A 97 24.377 11.199 -8.561 1.00 0.00 H new ATOM 1487 N SER A 98 24.647 6.732 -9.317 1.00 0.00 N ATOM 1488 CA SER A 98 24.866 5.304 -9.116 1.00 0.00 C ATOM 1489 C SER A 98 24.351 4.502 -10.307 1.00 0.00 C ATOM 1490 O SER A 98 23.186 4.616 -10.689 1.00 0.00 O ATOM 1491 CB SER A 98 24.175 4.836 -7.834 1.00 0.00 C ATOM 1492 OG SER A 98 24.694 5.510 -6.700 1.00 0.00 O ATOM 0 H SER A 98 24.262 7.218 -8.507 1.00 0.00 H new ATOM 0 HA SER A 98 25.939 5.136 -9.024 1.00 0.00 H new ATOM 0 HB2 SER A 98 23.103 5.016 -7.909 1.00 0.00 H new ATOM 0 HB3 SER A 98 24.310 3.761 -7.716 1.00 0.00 H new ATOM 0 HG SER A 98 24.235 5.195 -5.894 1.00 0.00 H new ATOM 1498 N SER A 99 25.227 3.690 -10.889 1.00 0.00 N ATOM 1499 CA SER A 99 24.863 2.871 -12.039 1.00 0.00 C ATOM 1500 C SER A 99 23.537 2.157 -11.800 1.00 0.00 C ATOM 1501 O SER A 99 23.106 1.989 -10.659 1.00 0.00 O ATOM 1502 CB SER A 99 25.962 1.846 -12.331 1.00 0.00 C ATOM 1503 OG SER A 99 25.688 1.130 -13.522 1.00 0.00 O ATOM 0 H SER A 99 26.194 3.582 -10.583 1.00 0.00 H new ATOM 0 HA SER A 99 24.751 3.529 -12.901 1.00 0.00 H new ATOM 0 HB2 SER A 99 26.922 2.354 -12.421 1.00 0.00 H new ATOM 0 HB3 SER A 99 26.046 1.150 -11.496 1.00 0.00 H new ATOM 0 HG SER A 99 26.405 0.483 -13.687 1.00 0.00 H new ATOM 1509 N GLY A 100 22.892 1.737 -12.885 1.00 0.00 N ATOM 1510 CA GLY A 100 21.621 1.046 -12.772 1.00 0.00 C ATOM 1511 C GLY A 100 21.788 -0.429 -12.467 1.00 0.00 C ATOM 1512 O GLY A 100 22.870 -0.988 -12.645 1.00 0.00 O ATOM 0 H GLY A 100 23.228 1.863 -13.840 1.00 0.00 H new ATOM 0 HA2 GLY A 100 21.027 1.511 -11.986 1.00 0.00 H new ATOM 0 HA3 GLY A 100 21.065 1.161 -13.702 1.00 0.00 H new TER 1516 GLY A 100