USER MOD reduce.3.24.130724 H: found=0, std=0, add=1494, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1496 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: B 61 ASN :FLIP amide:sc= -0.284 F(o=-1.5,f=0.48) USER MOD Set 1.2: B 64 SER OG : rot -82:sc= 0.767 USER MOD Set 2.1: A 61 ASN :FLIP amide:sc= -0.314 F(o=-1.6,f=0.57) USER MOD Set 2.2: A 64 SER OG : rot -62:sc= 0.883 USER MOD Single : A 3 CYS SG : rot -108:sc= -0.78! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -159:sc= -0.157 (180deg=-1.2) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.0339 K(o=-0.034,f=-0.53) USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0347) USER MOD Single : A 19 TYR OH : rot 123:sc= -1.64 USER MOD Single : A 20 SER OG : rot -120:sc= -1.27 USER MOD Single : A 22 LYS NZ :NH3+ -138:sc= -0.151! (180deg=-1.96!) USER MOD Single : A 26 LYS NZ :NH3+ 135:sc= 0.0204 (180deg=-0.038) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.2!) USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= -0.964! (180deg=-1.16!) USER MOD Single : A 32 SER OG : rot 180:sc=-0.000194 USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0405) USER MOD Single : A 39 THR OG1 : rot -27:sc= 0.133 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 57 LYS NZ :NH3+ 151:sc= -0.0942 (180deg=-0.913) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 68 ASN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 75 TYR OH : rot -110:sc= -0.189 USER MOD Single : A 76 CYS SG : rot 85:sc= 0.813 USER MOD Single : A 80 SER OG : rot 79:sc= 0.94 USER MOD Single : A 81 CYS SG : rot 71:sc= 0.933 USER MOD Single : A 84 MET CE :methyl -156:sc= -0.431 (180deg=-1.91!) USER MOD Single : A 85 MET CE :methyl 136:sc= -0.278 (180deg=-1.49!) USER MOD Single : A 86 CYS SG : rot 52:sc= -0.135 USER MOD Single : A 87 ASN : amide:sc= -1.38! C(o=-1.4!,f=-13!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 CYS SG : rot -105:sc= -0.72! USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 MET CE :methyl -162:sc= -0.22 (180deg=-1.36!) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 17 HIS : no HD1:sc= -0.0493 X(o=-0.049,f=-0.45) USER MOD Single : B 18 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.024) USER MOD Single : B 19 TYR OH : rot 119:sc= -1.8 USER MOD Single : B 20 SER OG : rot -120:sc= -1.3 USER MOD Single : B 22 LYS NZ :NH3+ -138:sc= -0.149! (180deg=-1.65!) USER MOD Single : B 26 LYS NZ :NH3+ -102:sc= 0.0228 (180deg=-0.0653) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.3!) USER MOD Single : B 31 LYS NZ :NH3+ 163:sc= -1.11! (180deg=-1.25!) USER MOD Single : B 32 SER OG : rot 180:sc=-0.00303 USER MOD Single : B 35 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.052) USER MOD Single : B 39 THR OG1 : rot -25:sc= 0.158 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 THR OG1 : rot 180:sc=0.000111 USER MOD Single : B 56 GLN : amide:sc=-0.00055 K(o=-0.00055,f=-1.4) USER MOD Single : B 57 LYS NZ :NH3+ 160:sc= -0.123 (180deg=-1.02) USER MOD Single : B 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 65 ASN : amide:sc= -0.0049 X(o=-0.0049,f=-0.33) USER MOD Single : B 68 ASN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : B 73 GLN : amide:sc=-0.00488 K(o=-0.0049,f=-1.5!) USER MOD Single : B 75 TYR OH : rot -110:sc= -0.126 USER MOD Single : B 76 CYS SG : rot 83:sc= 0.839 USER MOD Single : B 80 SER OG : rot 77:sc= 0.97 USER MOD Single : B 81 CYS SG : rot 70:sc= 0.848 USER MOD Single : B 84 MET CE :methyl -153:sc= -0.481 (180deg=-1.89!) USER MOD Single : B 85 MET CE :methyl 152:sc= -0.232 (180deg=-1.5!) USER MOD Single : B 86 CYS SG : rot 50:sc= 0.0892 USER MOD Single : B 87 ASN : amide:sc= -1.42! C(o=-1.4!,f=-12!) USER MOD Single : B 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 75.347 2.868 -19.541 1.00 0.00 N ATOM 21 CA ALA A 2 76.672 2.836 -18.849 1.00 0.00 C ATOM 22 C ALA A 2 76.471 2.472 -17.378 1.00 0.00 C ATOM 23 O ALA A 2 75.664 3.064 -16.688 1.00 0.00 O ATOM 24 CB ALA A 2 77.328 4.216 -18.943 1.00 0.00 C ATOM 0 HA ALA A 2 77.312 2.093 -19.325 1.00 0.00 H new ATOM 0 HB1 ALA A 2 78.294 4.195 -18.439 1.00 0.00 H new ATOM 0 HB2 ALA A 2 77.471 4.480 -19.991 1.00 0.00 H new ATOM 0 HB3 ALA A 2 76.686 4.957 -18.466 1.00 0.00 H new ATOM 30 N CYS A 3 77.203 1.499 -16.898 1.00 0.00 N ATOM 31 CA CYS A 3 77.076 1.075 -15.466 1.00 0.00 C ATOM 32 C CYS A 3 78.474 0.951 -14.848 1.00 0.00 C ATOM 33 O CYS A 3 78.967 -0.142 -14.654 1.00 0.00 O ATOM 34 CB CYS A 3 76.372 -0.282 -15.408 1.00 0.00 C ATOM 35 SG CYS A 3 74.726 -0.138 -16.146 1.00 0.00 S ATOM 0 H CYS A 3 77.890 0.974 -17.440 1.00 0.00 H new ATOM 0 HA CYS A 3 76.498 1.814 -14.911 1.00 0.00 H new ATOM 0 HB2 CYS A 3 76.957 -1.031 -15.942 1.00 0.00 H new ATOM 0 HB3 CYS A 3 76.291 -0.618 -14.374 1.00 0.00 H new ATOM 0 HG CYS A 3 73.824 -0.204 -15.212 1.00 0.00 H new ATOM 41 N PRO A 4 79.120 2.056 -14.546 1.00 0.00 N ATOM 42 CA PRO A 4 80.483 2.005 -13.951 1.00 0.00 C ATOM 43 C PRO A 4 80.467 1.493 -12.505 1.00 0.00 C ATOM 44 O PRO A 4 81.383 0.825 -12.067 1.00 0.00 O ATOM 45 CB PRO A 4 80.946 3.473 -14.043 1.00 0.00 C ATOM 46 CG PRO A 4 79.729 4.345 -14.426 1.00 0.00 C ATOM 47 CD PRO A 4 78.548 3.414 -14.774 1.00 0.00 C ATOM 0 HA PRO A 4 81.149 1.311 -14.465 1.00 0.00 H new ATOM 0 HB2 PRO A 4 81.362 3.800 -13.090 1.00 0.00 H new ATOM 0 HB3 PRO A 4 81.736 3.576 -14.787 1.00 0.00 H new ATOM 0 HG2 PRO A 4 79.461 5.004 -13.600 1.00 0.00 H new ATOM 0 HG3 PRO A 4 79.972 4.982 -15.276 1.00 0.00 H new ATOM 0 HD2 PRO A 4 77.684 3.601 -14.137 1.00 0.00 H new ATOM 0 HD3 PRO A 4 78.219 3.546 -15.805 1.00 0.00 H new ATOM 55 N LEU A 5 79.428 1.775 -11.770 1.00 0.00 N ATOM 56 CA LEU A 5 79.365 1.273 -10.370 1.00 0.00 C ATOM 57 C LEU A 5 79.427 -0.250 -10.419 1.00 0.00 C ATOM 58 O LEU A 5 79.986 -0.890 -9.556 1.00 0.00 O ATOM 59 CB LEU A 5 78.046 1.705 -9.712 1.00 0.00 C ATOM 60 CG LEU A 5 78.113 3.182 -9.285 1.00 0.00 C ATOM 61 CD1 LEU A 5 76.708 3.655 -8.899 1.00 0.00 C ATOM 62 CD2 LEU A 5 79.065 3.357 -8.079 1.00 0.00 C ATOM 0 H LEU A 5 78.626 2.327 -12.075 1.00 0.00 H new ATOM 0 HA LEU A 5 80.193 1.679 -9.789 1.00 0.00 H new ATOM 0 HB2 LEU A 5 77.221 1.559 -10.409 1.00 0.00 H new ATOM 0 HB3 LEU A 5 77.844 1.078 -8.843 1.00 0.00 H new ATOM 0 HG LEU A 5 78.493 3.775 -10.117 1.00 0.00 H new ATOM 0 HD11 LEU A 5 76.747 4.701 -8.595 1.00 0.00 H new ATOM 0 HD12 LEU A 5 76.041 3.550 -9.755 1.00 0.00 H new ATOM 0 HD13 LEU A 5 76.335 3.051 -8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 5 79.099 4.408 -7.792 1.00 0.00 H new ATOM 0 HD22 LEU A 5 78.702 2.763 -7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 5 80.066 3.023 -8.354 1.00 0.00 H new ATOM 74 N GLU A 6 78.849 -0.825 -11.435 1.00 0.00 N ATOM 75 CA GLU A 6 78.850 -2.305 -11.569 1.00 0.00 C ATOM 76 C GLU A 6 80.287 -2.820 -11.640 1.00 0.00 C ATOM 77 O GLU A 6 80.664 -3.730 -10.928 1.00 0.00 O ATOM 78 CB GLU A 6 78.118 -2.669 -12.865 1.00 0.00 C ATOM 79 CG GLU A 6 77.878 -4.181 -12.935 1.00 0.00 C ATOM 80 CD GLU A 6 79.184 -4.902 -13.284 1.00 0.00 C ATOM 81 OE1 GLU A 6 80.075 -4.256 -13.812 1.00 0.00 O ATOM 82 OE2 GLU A 6 79.268 -6.089 -13.020 1.00 0.00 O ATOM 0 H GLU A 6 78.371 -0.326 -12.186 1.00 0.00 H new ATOM 0 HA GLU A 6 78.355 -2.757 -10.709 1.00 0.00 H new ATOM 0 HB2 GLU A 6 77.166 -2.140 -12.913 1.00 0.00 H new ATOM 0 HB3 GLU A 6 78.705 -2.347 -13.725 1.00 0.00 H new ATOM 0 HG2 GLU A 6 77.498 -4.542 -11.979 1.00 0.00 H new ATOM 0 HG3 GLU A 6 77.119 -4.403 -13.685 1.00 0.00 H new ATOM 89 N LYS A 7 81.092 -2.249 -12.489 1.00 0.00 N ATOM 90 CA LYS A 7 82.499 -2.709 -12.595 1.00 0.00 C ATOM 91 C LYS A 7 83.249 -2.298 -11.335 1.00 0.00 C ATOM 92 O LYS A 7 83.949 -3.083 -10.733 1.00 0.00 O ATOM 93 CB LYS A 7 83.161 -2.071 -13.817 1.00 0.00 C ATOM 94 CG LYS A 7 84.605 -2.568 -13.934 1.00 0.00 C ATOM 95 CD LYS A 7 85.225 -2.066 -15.244 1.00 0.00 C ATOM 96 CE LYS A 7 85.275 -0.533 -15.248 1.00 0.00 C ATOM 97 NZ LYS A 7 86.310 -0.071 -16.218 1.00 0.00 N ATOM 0 H LYS A 7 80.835 -1.484 -13.113 1.00 0.00 H new ATOM 0 HA LYS A 7 82.524 -3.793 -12.703 1.00 0.00 H new ATOM 0 HB2 LYS A 7 82.604 -2.324 -14.719 1.00 0.00 H new ATOM 0 HB3 LYS A 7 83.145 -0.985 -13.727 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.190 -2.214 -13.085 1.00 0.00 H new ATOM 0 HG3 LYS A 7 84.627 -3.657 -13.905 1.00 0.00 H new ATOM 0 HD2 LYS A 7 86.230 -2.471 -15.359 1.00 0.00 H new ATOM 0 HD3 LYS A 7 84.640 -2.421 -16.092 1.00 0.00 H new ATOM 0 HE2 LYS A 7 84.300 -0.128 -15.519 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.507 -0.164 -14.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.344 0.968 -16.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 87.239 -0.447 -15.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.070 -0.412 -17.171 1.00 0.00 H new ATOM 111 N ALA A 8 83.089 -1.078 -10.915 1.00 0.00 N ATOM 112 CA ALA A 8 83.778 -0.640 -9.682 1.00 0.00 C ATOM 113 C ALA A 8 83.290 -1.532 -8.555 1.00 0.00 C ATOM 114 O ALA A 8 84.047 -1.983 -7.724 1.00 0.00 O ATOM 115 CB ALA A 8 83.451 0.818 -9.392 1.00 0.00 C ATOM 0 H ALA A 8 82.513 -0.371 -11.372 1.00 0.00 H new ATOM 0 HA ALA A 8 84.860 -0.720 -9.789 1.00 0.00 H new ATOM 0 HB1 ALA A 8 83.963 1.132 -8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 8 83.781 1.438 -10.226 1.00 0.00 H new ATOM 0 HB3 ALA A 8 82.375 0.930 -9.260 1.00 0.00 H new ATOM 121 N LEU A 9 82.026 -1.834 -8.549 1.00 0.00 N ATOM 122 CA LEU A 9 81.512 -2.750 -7.510 1.00 0.00 C ATOM 123 C LEU A 9 82.266 -4.061 -7.684 1.00 0.00 C ATOM 124 O LEU A 9 82.665 -4.696 -6.728 1.00 0.00 O ATOM 125 CB LEU A 9 80.007 -2.966 -7.691 1.00 0.00 C ATOM 126 CG LEU A 9 79.470 -3.918 -6.613 1.00 0.00 C ATOM 127 CD1 LEU A 9 79.600 -3.272 -5.222 1.00 0.00 C ATOM 128 CD2 LEU A 9 77.995 -4.214 -6.906 1.00 0.00 C ATOM 0 H LEU A 9 81.334 -1.488 -9.214 1.00 0.00 H new ATOM 0 HA LEU A 9 81.661 -2.342 -6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 9 79.486 -2.010 -7.633 1.00 0.00 H new ATOM 0 HB3 LEU A 9 79.809 -3.378 -8.681 1.00 0.00 H new ATOM 0 HG LEU A 9 80.047 -4.843 -6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 9 79.216 -3.956 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 9 80.649 -3.057 -5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 9 79.027 -2.345 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 9 77.602 -4.890 -6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 9 77.428 -3.283 -6.893 1.00 0.00 H new ATOM 0 HD23 LEU A 9 77.905 -4.680 -7.887 1.00 0.00 H new ATOM 140 N ASP A 10 82.487 -4.461 -8.914 1.00 0.00 N ATOM 141 CA ASP A 10 83.246 -5.718 -9.148 1.00 0.00 C ATOM 142 C ASP A 10 84.702 -5.487 -8.741 1.00 0.00 C ATOM 143 O ASP A 10 85.368 -6.383 -8.273 1.00 0.00 O ATOM 144 CB ASP A 10 83.184 -6.126 -10.624 1.00 0.00 C ATOM 145 CG ASP A 10 81.762 -6.562 -10.978 1.00 0.00 C ATOM 146 OD1 ASP A 10 81.019 -6.888 -10.068 1.00 0.00 O ATOM 147 OD2 ASP A 10 81.440 -6.561 -12.155 1.00 0.00 O ATOM 0 H ASP A 10 82.176 -3.973 -9.754 1.00 0.00 H new ATOM 0 HA ASP A 10 82.806 -6.520 -8.555 1.00 0.00 H new ATOM 0 HB2 ASP A 10 83.486 -5.291 -11.255 1.00 0.00 H new ATOM 0 HB3 ASP A 10 83.883 -6.940 -10.816 1.00 0.00 H new ATOM 152 N VAL A 11 85.209 -4.290 -8.918 1.00 0.00 N ATOM 153 CA VAL A 11 86.630 -4.033 -8.533 1.00 0.00 C ATOM 154 C VAL A 11 86.793 -4.305 -7.031 1.00 0.00 C ATOM 155 O VAL A 11 87.762 -4.901 -6.602 1.00 0.00 O ATOM 156 CB VAL A 11 86.997 -2.570 -8.834 1.00 0.00 C ATOM 157 CG1 VAL A 11 88.358 -2.236 -8.218 1.00 0.00 C ATOM 158 CG2 VAL A 11 87.056 -2.347 -10.351 1.00 0.00 C ATOM 0 H VAL A 11 84.708 -3.491 -9.307 1.00 0.00 H new ATOM 0 HA VAL A 11 87.289 -4.687 -9.104 1.00 0.00 H new ATOM 0 HB VAL A 11 86.236 -1.920 -8.402 1.00 0.00 H new ATOM 0 HG11 VAL A 11 88.611 -1.198 -8.435 1.00 0.00 H new ATOM 0 HG12 VAL A 11 88.314 -2.380 -7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 11 89.119 -2.891 -8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 11 87.316 -1.309 -10.556 1.00 0.00 H new ATOM 0 HG22 VAL A 11 87.810 -3.003 -10.786 1.00 0.00 H new ATOM 0 HG23 VAL A 11 86.084 -2.571 -10.790 1.00 0.00 H new ATOM 168 N MET A 12 85.848 -3.889 -6.226 1.00 0.00 N ATOM 169 CA MET A 12 85.957 -4.149 -4.760 1.00 0.00 C ATOM 170 C MET A 12 85.992 -5.660 -4.529 1.00 0.00 C ATOM 171 O MET A 12 86.772 -6.173 -3.753 1.00 0.00 O ATOM 172 CB MET A 12 84.735 -3.562 -4.046 1.00 0.00 C ATOM 173 CG MET A 12 84.942 -3.612 -2.526 1.00 0.00 C ATOM 174 SD MET A 12 83.336 -3.550 -1.691 1.00 0.00 S ATOM 175 CE MET A 12 82.659 -2.137 -2.592 1.00 0.00 C ATOM 0 H MET A 12 85.011 -3.384 -6.519 1.00 0.00 H new ATOM 0 HA MET A 12 86.864 -3.688 -4.369 1.00 0.00 H new ATOM 0 HB2 MET A 12 84.576 -2.532 -4.366 1.00 0.00 H new ATOM 0 HB3 MET A 12 83.840 -4.122 -4.318 1.00 0.00 H new ATOM 0 HG2 MET A 12 85.471 -4.524 -2.251 1.00 0.00 H new ATOM 0 HG3 MET A 12 85.562 -2.775 -2.206 1.00 0.00 H new ATOM 0 HE1 MET A 12 81.852 -1.689 -2.012 1.00 0.00 H new ATOM 0 HE2 MET A 12 83.444 -1.398 -2.753 1.00 0.00 H new ATOM 0 HE3 MET A 12 82.272 -2.471 -3.555 1.00 0.00 H new ATOM 185 N VAL A 13 85.126 -6.368 -5.191 1.00 0.00 N ATOM 186 CA VAL A 13 85.067 -7.850 -5.024 1.00 0.00 C ATOM 187 C VAL A 13 86.207 -8.533 -5.790 1.00 0.00 C ATOM 188 O VAL A 13 86.842 -9.443 -5.293 1.00 0.00 O ATOM 189 CB VAL A 13 83.725 -8.344 -5.560 1.00 0.00 C ATOM 190 CG1 VAL A 13 83.629 -9.864 -5.411 1.00 0.00 C ATOM 191 CG2 VAL A 13 82.601 -7.678 -4.767 1.00 0.00 C ATOM 0 H VAL A 13 84.448 -5.983 -5.848 1.00 0.00 H new ATOM 0 HA VAL A 13 85.172 -8.096 -3.967 1.00 0.00 H new ATOM 0 HB VAL A 13 83.637 -8.088 -6.616 1.00 0.00 H new ATOM 0 HG11 VAL A 13 82.669 -10.207 -5.796 1.00 0.00 H new ATOM 0 HG12 VAL A 13 84.435 -10.336 -5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 13 83.715 -10.133 -4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 13 81.637 -8.024 -5.141 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.695 -7.939 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.667 -6.596 -4.880 1.00 0.00 H new ATOM 201 N SER A 14 86.455 -8.118 -7.000 1.00 0.00 N ATOM 202 CA SER A 14 87.535 -8.762 -7.802 1.00 0.00 C ATOM 203 C SER A 14 88.878 -8.611 -7.089 1.00 0.00 C ATOM 204 O SER A 14 89.603 -9.570 -6.912 1.00 0.00 O ATOM 205 CB SER A 14 87.613 -8.099 -9.178 1.00 0.00 C ATOM 206 OG SER A 14 88.549 -8.802 -9.985 1.00 0.00 O ATOM 0 H SER A 14 85.958 -7.361 -7.469 1.00 0.00 H new ATOM 0 HA SER A 14 87.309 -9.822 -7.917 1.00 0.00 H new ATOM 0 HB2 SER A 14 86.632 -8.102 -9.652 1.00 0.00 H new ATOM 0 HB3 SER A 14 87.914 -7.056 -9.076 1.00 0.00 H new ATOM 0 HG SER A 14 88.601 -8.381 -10.868 1.00 0.00 H new ATOM 212 N THR A 15 89.216 -7.421 -6.671 1.00 0.00 N ATOM 213 CA THR A 15 90.513 -7.225 -5.963 1.00 0.00 C ATOM 214 C THR A 15 90.498 -8.038 -4.671 1.00 0.00 C ATOM 215 O THR A 15 91.473 -8.650 -4.292 1.00 0.00 O ATOM 216 CB THR A 15 90.705 -5.733 -5.661 1.00 0.00 C ATOM 217 OG1 THR A 15 92.081 -5.472 -5.431 1.00 0.00 O ATOM 218 CG2 THR A 15 89.893 -5.318 -4.432 1.00 0.00 C ATOM 0 H THR A 15 88.652 -6.579 -6.789 1.00 0.00 H new ATOM 0 HA THR A 15 91.341 -7.563 -6.586 1.00 0.00 H new ATOM 0 HB THR A 15 90.355 -5.156 -6.517 1.00 0.00 H new ATOM 0 HG1 THR A 15 92.206 -4.519 -5.240 1.00 0.00 H new ATOM 0 HG21 THR A 15 90.045 -4.256 -4.237 1.00 0.00 H new ATOM 0 HG22 THR A 15 88.835 -5.506 -4.615 1.00 0.00 H new ATOM 0 HG23 THR A 15 90.220 -5.896 -3.568 1.00 0.00 H new ATOM 226 N PHE A 16 89.380 -8.044 -4.011 1.00 0.00 N ATOM 227 CA PHE A 16 89.245 -8.807 -2.737 1.00 0.00 C ATOM 228 C PHE A 16 89.512 -10.282 -3.006 1.00 0.00 C ATOM 229 O PHE A 16 90.132 -10.971 -2.220 1.00 0.00 O ATOM 230 CB PHE A 16 87.818 -8.647 -2.204 1.00 0.00 C ATOM 231 CG PHE A 16 87.659 -9.431 -0.922 1.00 0.00 C ATOM 232 CD1 PHE A 16 87.444 -10.815 -0.970 1.00 0.00 C ATOM 233 CD2 PHE A 16 87.716 -8.776 0.313 1.00 0.00 C ATOM 234 CE1 PHE A 16 87.290 -11.543 0.216 1.00 0.00 C ATOM 235 CE2 PHE A 16 87.559 -9.507 1.498 1.00 0.00 C ATOM 236 CZ PHE A 16 87.347 -10.888 1.450 1.00 0.00 C ATOM 0 H PHE A 16 88.538 -7.546 -4.301 1.00 0.00 H new ATOM 0 HA PHE A 16 89.959 -8.429 -2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 16 87.603 -7.593 -2.026 1.00 0.00 H new ATOM 0 HB3 PHE A 16 87.101 -8.998 -2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 16 87.397 -11.321 -1.923 1.00 0.00 H new ATOM 0 HD2 PHE A 16 87.881 -7.709 0.353 1.00 0.00 H new ATOM 0 HE1 PHE A 16 87.127 -12.610 0.178 1.00 0.00 H new ATOM 0 HE2 PHE A 16 87.602 -9.002 2.452 1.00 0.00 H new ATOM 0 HZ PHE A 16 87.227 -11.449 2.365 1.00 0.00 H new ATOM 246 N HIS A 17 89.033 -10.770 -4.105 1.00 0.00 N ATOM 247 CA HIS A 17 89.235 -12.200 -4.444 1.00 0.00 C ATOM 248 C HIS A 17 90.732 -12.495 -4.537 1.00 0.00 C ATOM 249 O HIS A 17 91.193 -13.547 -4.143 1.00 0.00 O ATOM 250 CB HIS A 17 88.575 -12.501 -5.788 1.00 0.00 C ATOM 251 CG HIS A 17 88.704 -13.967 -6.088 1.00 0.00 C ATOM 252 ND1 HIS A 17 89.787 -14.488 -6.782 1.00 0.00 N ATOM 253 CD2 HIS A 17 87.896 -15.039 -5.792 1.00 0.00 C ATOM 254 CE1 HIS A 17 89.604 -15.819 -6.879 1.00 0.00 C ATOM 255 NE2 HIS A 17 88.468 -16.203 -6.292 1.00 0.00 N ATOM 0 H HIS A 17 88.503 -10.235 -4.793 1.00 0.00 H new ATOM 0 HA HIS A 17 88.788 -12.824 -3.670 1.00 0.00 H new ATOM 0 HB2 HIS A 17 87.524 -12.215 -5.762 1.00 0.00 H new ATOM 0 HB3 HIS A 17 89.046 -11.914 -6.577 1.00 0.00 H new ATOM 0 HD2 HIS A 17 86.961 -14.985 -5.254 1.00 0.00 H new ATOM 0 HE1 HIS A 17 90.291 -16.492 -7.371 1.00 0.00 H new ATOM 0 HE2 HIS A 17 88.098 -17.151 -6.225 1.00 0.00 H new ATOM 264 N LYS A 18 91.494 -11.580 -5.072 1.00 0.00 N ATOM 265 CA LYS A 18 92.954 -11.823 -5.201 1.00 0.00 C ATOM 266 C LYS A 18 93.557 -12.047 -3.813 1.00 0.00 C ATOM 267 O LYS A 18 94.375 -12.923 -3.624 1.00 0.00 O ATOM 268 CB LYS A 18 93.607 -10.605 -5.865 1.00 0.00 C ATOM 269 CG LYS A 18 95.106 -10.851 -6.053 1.00 0.00 C ATOM 270 CD LYS A 18 95.733 -9.624 -6.718 1.00 0.00 C ATOM 271 CE LYS A 18 97.232 -9.859 -6.920 1.00 0.00 C ATOM 272 NZ LYS A 18 97.939 -9.689 -5.623 1.00 0.00 N ATOM 0 H LYS A 18 91.168 -10.679 -5.423 1.00 0.00 H new ATOM 0 HA LYS A 18 93.131 -12.708 -5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 18 93.138 -10.412 -6.830 1.00 0.00 H new ATOM 0 HB3 LYS A 18 93.450 -9.718 -5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 18 95.580 -11.041 -5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 18 95.268 -11.736 -6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 18 95.252 -9.432 -7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 18 95.573 -8.741 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 18 97.404 -10.861 -7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 18 97.625 -9.157 -7.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 98.966 -9.731 -5.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 97.689 -8.768 -5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 97.657 -10.449 -4.972 1.00 0.00 H new ATOM 286 N TYR A 19 93.150 -11.286 -2.830 1.00 0.00 N ATOM 287 CA TYR A 19 93.707 -11.506 -1.460 1.00 0.00 C ATOM 288 C TYR A 19 93.171 -12.820 -0.904 1.00 0.00 C ATOM 289 O TYR A 19 93.878 -13.575 -0.269 1.00 0.00 O ATOM 290 CB TYR A 19 93.294 -10.367 -0.532 1.00 0.00 C ATOM 291 CG TYR A 19 94.032 -9.110 -0.908 1.00 0.00 C ATOM 292 CD1 TYR A 19 95.283 -8.844 -0.346 1.00 0.00 C ATOM 293 CD2 TYR A 19 93.470 -8.216 -1.823 1.00 0.00 C ATOM 294 CE1 TYR A 19 95.975 -7.681 -0.697 1.00 0.00 C ATOM 295 CE2 TYR A 19 94.159 -7.052 -2.179 1.00 0.00 C ATOM 296 CZ TYR A 19 95.413 -6.783 -1.616 1.00 0.00 C ATOM 297 OH TYR A 19 96.094 -5.636 -1.962 1.00 0.00 O ATOM 0 H TYR A 19 92.467 -10.533 -2.913 1.00 0.00 H new ATOM 0 HA TYR A 19 94.795 -11.540 -1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 19 92.219 -10.202 -0.600 1.00 0.00 H new ATOM 0 HB3 TYR A 19 93.512 -10.632 0.503 1.00 0.00 H new ATOM 0 HD1 TYR A 19 95.716 -9.537 0.360 1.00 0.00 H new ATOM 0 HD2 TYR A 19 92.503 -8.424 -2.256 1.00 0.00 H new ATOM 0 HE1 TYR A 19 96.941 -7.474 -0.261 1.00 0.00 H new ATOM 0 HE2 TYR A 19 93.725 -6.362 -2.887 1.00 0.00 H new ATOM 0 HH TYR A 19 96.230 -5.617 -2.932 1.00 0.00 H new ATOM 307 N SER A 20 91.922 -13.097 -1.145 1.00 0.00 N ATOM 308 CA SER A 20 91.334 -14.362 -0.639 1.00 0.00 C ATOM 309 C SER A 20 92.141 -15.526 -1.201 1.00 0.00 C ATOM 310 O SER A 20 92.100 -16.628 -0.698 1.00 0.00 O ATOM 311 CB SER A 20 89.883 -14.471 -1.100 1.00 0.00 C ATOM 312 OG SER A 20 89.399 -15.779 -0.827 1.00 0.00 O ATOM 0 H SER A 20 91.284 -12.500 -1.671 1.00 0.00 H new ATOM 0 HA SER A 20 91.361 -14.381 0.451 1.00 0.00 H new ATOM 0 HB2 SER A 20 89.270 -13.730 -0.587 1.00 0.00 H new ATOM 0 HB3 SER A 20 89.812 -14.260 -2.167 1.00 0.00 H new ATOM 0 HG SER A 20 89.123 -16.207 -1.664 1.00 0.00 H new ATOM 318 N GLY A 21 92.877 -15.284 -2.249 1.00 0.00 N ATOM 319 CA GLY A 21 93.692 -16.375 -2.850 1.00 0.00 C ATOM 320 C GLY A 21 94.824 -16.752 -1.892 1.00 0.00 C ATOM 321 O GLY A 21 95.205 -17.901 -1.786 1.00 0.00 O ATOM 0 H GLY A 21 92.949 -14.379 -2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 21 93.065 -17.244 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 21 94.103 -16.052 -3.807 1.00 0.00 H new ATOM 325 N LYS A 22 95.373 -15.786 -1.204 1.00 0.00 N ATOM 326 CA LYS A 22 96.493 -16.073 -0.264 1.00 0.00 C ATOM 327 C LYS A 22 96.009 -16.986 0.871 1.00 0.00 C ATOM 328 O LYS A 22 96.711 -17.883 1.291 1.00 0.00 O ATOM 329 CB LYS A 22 96.990 -14.751 0.329 1.00 0.00 C ATOM 330 CG LYS A 22 97.352 -13.795 -0.812 1.00 0.00 C ATOM 331 CD LYS A 22 98.096 -12.573 -0.266 1.00 0.00 C ATOM 332 CE LYS A 22 97.318 -11.957 0.902 1.00 0.00 C ATOM 333 NZ LYS A 22 97.791 -10.560 1.129 1.00 0.00 N ATOM 0 H LYS A 22 95.092 -14.807 -1.254 1.00 0.00 H new ATOM 0 HA LYS A 22 97.299 -16.573 -0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 22 96.219 -14.309 0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 22 97.859 -14.926 0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 22 97.974 -14.311 -1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 22 96.447 -13.477 -1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 22 99.093 -12.863 0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 22 98.225 -11.834 -1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 22 96.250 -11.960 0.684 1.00 0.00 H new ATOM 0 HE3 LYS A 22 97.461 -12.553 1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 97.882 -10.386 2.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 98.716 -10.428 0.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 97.106 -9.891 0.723 1.00 0.00 H new ATOM 347 N GLU A 23 94.814 -16.759 1.372 1.00 0.00 N ATOM 348 CA GLU A 23 94.272 -17.604 2.490 1.00 0.00 C ATOM 349 C GLU A 23 93.128 -18.479 1.996 1.00 0.00 C ATOM 350 O GLU A 23 92.454 -18.168 1.035 1.00 0.00 O ATOM 351 CB GLU A 23 93.764 -16.704 3.618 1.00 0.00 C ATOM 352 CG GLU A 23 94.960 -16.059 4.307 1.00 0.00 C ATOM 353 CD GLU A 23 94.478 -14.975 5.276 1.00 0.00 C ATOM 354 OE1 GLU A 23 93.278 -14.781 5.367 1.00 0.00 O ATOM 355 OE2 GLU A 23 95.320 -14.355 5.904 1.00 0.00 O ATOM 0 H GLU A 23 94.187 -16.020 1.053 1.00 0.00 H new ATOM 0 HA GLU A 23 95.074 -18.244 2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 23 93.099 -15.938 3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 23 93.185 -17.287 4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 23 95.531 -16.814 4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 23 95.629 -15.624 3.564 1.00 0.00 H new ATOM 362 N GLY A 24 92.905 -19.577 2.656 1.00 0.00 N ATOM 363 CA GLY A 24 91.806 -20.485 2.243 1.00 0.00 C ATOM 364 C GLY A 24 90.459 -19.919 2.704 1.00 0.00 C ATOM 365 O GLY A 24 89.414 -20.460 2.399 1.00 0.00 O ATOM 0 H GLY A 24 93.440 -19.886 3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 24 91.809 -20.603 1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 24 91.960 -21.475 2.672 1.00 0.00 H new ATOM 369 N ASP A 25 90.467 -18.831 3.437 1.00 0.00 N ATOM 370 CA ASP A 25 89.179 -18.235 3.915 1.00 0.00 C ATOM 371 C ASP A 25 88.765 -17.098 2.975 1.00 0.00 C ATOM 372 O ASP A 25 89.380 -16.051 2.945 1.00 0.00 O ATOM 373 CB ASP A 25 89.370 -17.671 5.324 1.00 0.00 C ATOM 374 CG ASP A 25 89.548 -18.819 6.320 1.00 0.00 C ATOM 375 OD1 ASP A 25 89.187 -19.935 5.982 1.00 0.00 O ATOM 376 OD2 ASP A 25 90.039 -18.563 7.408 1.00 0.00 O ATOM 0 H ASP A 25 91.308 -18.331 3.724 1.00 0.00 H new ATOM 0 HA ASP A 25 88.407 -19.005 3.927 1.00 0.00 H new ATOM 0 HB2 ASP A 25 90.241 -17.017 5.349 1.00 0.00 H new ATOM 0 HB3 ASP A 25 88.508 -17.065 5.603 1.00 0.00 H new ATOM 381 N LYS A 26 87.725 -17.302 2.207 1.00 0.00 N ATOM 382 CA LYS A 26 87.252 -16.244 1.257 1.00 0.00 C ATOM 383 C LYS A 26 86.055 -15.495 1.847 1.00 0.00 C ATOM 384 O LYS A 26 85.508 -14.602 1.228 1.00 0.00 O ATOM 385 CB LYS A 26 86.852 -16.898 -0.069 1.00 0.00 C ATOM 386 CG LYS A 26 85.726 -17.914 0.171 1.00 0.00 C ATOM 387 CD LYS A 26 85.471 -18.743 -1.104 1.00 0.00 C ATOM 388 CE LYS A 26 84.499 -18.003 -2.029 1.00 0.00 C ATOM 389 NZ LYS A 26 83.106 -18.185 -1.527 1.00 0.00 N ATOM 0 H LYS A 26 87.178 -18.163 2.196 1.00 0.00 H new ATOM 0 HA LYS A 26 88.058 -15.531 1.087 1.00 0.00 H new ATOM 0 HB2 LYS A 26 86.523 -16.136 -0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 26 87.714 -17.395 -0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 26 85.993 -18.575 0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 26 84.814 -17.394 0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 26 86.412 -18.924 -1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 26 85.061 -19.717 -0.838 1.00 0.00 H new ATOM 0 HE2 LYS A 26 84.749 -16.943 -2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 26 84.584 -18.386 -3.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 82.608 -17.272 -1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 82.605 -18.866 -2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 83.133 -18.543 -0.551 1.00 0.00 H new ATOM 403 N PHE A 27 85.630 -15.856 3.030 1.00 0.00 N ATOM 404 CA PHE A 27 84.453 -15.170 3.648 1.00 0.00 C ATOM 405 C PHE A 27 84.913 -14.056 4.588 1.00 0.00 C ATOM 406 O PHE A 27 84.105 -13.410 5.225 1.00 0.00 O ATOM 407 CB PHE A 27 83.645 -16.184 4.458 1.00 0.00 C ATOM 408 CG PHE A 27 83.150 -17.275 3.547 1.00 0.00 C ATOM 409 CD1 PHE A 27 81.911 -17.146 2.909 1.00 0.00 C ATOM 410 CD2 PHE A 27 83.930 -18.418 3.338 1.00 0.00 C ATOM 411 CE1 PHE A 27 81.452 -18.160 2.061 1.00 0.00 C ATOM 412 CE2 PHE A 27 83.472 -19.433 2.491 1.00 0.00 C ATOM 413 CZ PHE A 27 82.232 -19.304 1.852 1.00 0.00 C ATOM 0 H PHE A 27 86.046 -16.596 3.596 1.00 0.00 H new ATOM 0 HA PHE A 27 83.844 -14.742 2.851 1.00 0.00 H new ATOM 0 HB2 PHE A 27 84.263 -16.609 5.249 1.00 0.00 H new ATOM 0 HB3 PHE A 27 82.803 -15.690 4.942 1.00 0.00 H new ATOM 0 HD1 PHE A 27 81.309 -16.264 3.071 1.00 0.00 H new ATOM 0 HD2 PHE A 27 84.886 -18.517 3.831 1.00 0.00 H new ATOM 0 HE1 PHE A 27 80.496 -18.060 1.568 1.00 0.00 H new ATOM 0 HE2 PHE A 27 84.074 -20.315 2.330 1.00 0.00 H new ATOM 0 HZ PHE A 27 81.878 -20.087 1.198 1.00 0.00 H new ATOM 423 N LYS A 28 86.194 -13.830 4.709 1.00 0.00 N ATOM 424 CA LYS A 28 86.657 -12.762 5.644 1.00 0.00 C ATOM 425 C LYS A 28 88.075 -12.315 5.290 1.00 0.00 C ATOM 426 O LYS A 28 88.777 -12.963 4.539 1.00 0.00 O ATOM 427 CB LYS A 28 86.640 -13.324 7.069 1.00 0.00 C ATOM 428 CG LYS A 28 87.670 -14.468 7.189 1.00 0.00 C ATOM 429 CD LYS A 28 87.200 -15.514 8.207 1.00 0.00 C ATOM 430 CE LYS A 28 87.201 -14.912 9.612 1.00 0.00 C ATOM 431 NZ LYS A 28 87.041 -16.000 10.619 1.00 0.00 N ATOM 0 H LYS A 28 86.930 -14.329 4.210 1.00 0.00 H new ATOM 0 HA LYS A 28 85.995 -11.900 5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 28 86.873 -12.535 7.784 1.00 0.00 H new ATOM 0 HB3 LYS A 28 85.643 -13.692 7.313 1.00 0.00 H new ATOM 0 HG2 LYS A 28 87.814 -14.938 6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 28 88.636 -14.065 7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 28 86.198 -15.859 7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 28 87.855 -16.385 8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 28 88.132 -14.373 9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 28 86.391 -14.189 9.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 87.042 -15.591 11.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 86.141 -16.495 10.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 87.828 -16.674 10.530 1.00 0.00 H new ATOM 445 N LEU A 29 88.503 -11.207 5.847 1.00 0.00 N ATOM 446 CA LEU A 29 89.883 -10.686 5.580 1.00 0.00 C ATOM 447 C LEU A 29 90.538 -10.357 6.924 1.00 0.00 C ATOM 448 O LEU A 29 89.869 -10.148 7.914 1.00 0.00 O ATOM 449 CB LEU A 29 89.799 -9.414 4.685 1.00 0.00 C ATOM 450 CG LEU A 29 90.473 -9.623 3.309 1.00 0.00 C ATOM 451 CD1 LEU A 29 90.481 -8.280 2.561 1.00 0.00 C ATOM 452 CD2 LEU A 29 91.926 -10.125 3.483 1.00 0.00 C ATOM 0 H LEU A 29 87.948 -10.634 6.483 1.00 0.00 H new ATOM 0 HA LEU A 29 90.479 -11.432 5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 29 88.753 -9.143 4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 29 90.275 -8.579 5.198 1.00 0.00 H new ATOM 0 HG LEU A 29 89.917 -10.372 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 29 90.953 -8.409 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 29 89.457 -7.933 2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 29 91.039 -7.544 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 29 92.382 -10.266 2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 29 92.500 -9.390 4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 29 91.921 -11.073 4.021 1.00 0.00 H new ATOM 464 N ASN A 30 91.840 -10.310 6.963 1.00 0.00 N ATOM 465 CA ASN A 30 92.546 -9.989 8.230 1.00 0.00 C ATOM 466 C ASN A 30 92.804 -8.483 8.268 1.00 0.00 C ATOM 467 O ASN A 30 93.365 -7.915 7.351 1.00 0.00 O ATOM 468 CB ASN A 30 93.881 -10.738 8.271 1.00 0.00 C ATOM 469 CG ASN A 30 93.618 -12.240 8.407 1.00 0.00 C ATOM 470 OD1 ASN A 30 92.551 -12.647 8.822 1.00 0.00 O ATOM 471 ND2 ASN A 30 94.550 -13.088 8.064 1.00 0.00 N ATOM 0 H ASN A 30 92.449 -10.482 6.163 1.00 0.00 H new ATOM 0 HA ASN A 30 91.942 -10.288 9.086 1.00 0.00 H new ATOM 0 HB2 ASN A 30 94.451 -10.538 7.363 1.00 0.00 H new ATOM 0 HB3 ASN A 30 94.483 -10.386 9.109 1.00 0.00 H new ATOM 0 HD21 ASN A 30 94.382 -14.091 8.145 1.00 0.00 H new ATOM 0 HD22 ASN A 30 95.446 -12.748 7.715 1.00 0.00 H new ATOM 478 N LYS A 31 92.389 -7.835 9.315 1.00 0.00 N ATOM 479 CA LYS A 31 92.593 -6.364 9.422 1.00 0.00 C ATOM 480 C LYS A 31 94.050 -6.043 9.080 1.00 0.00 C ATOM 481 O LYS A 31 94.372 -4.963 8.655 1.00 0.00 O ATOM 482 CB LYS A 31 92.239 -5.918 10.861 1.00 0.00 C ATOM 483 CG LYS A 31 91.382 -4.639 10.851 1.00 0.00 C ATOM 484 CD LYS A 31 90.795 -4.419 12.248 1.00 0.00 C ATOM 485 CE LYS A 31 89.911 -3.172 12.240 1.00 0.00 C ATOM 486 NZ LYS A 31 88.830 -3.340 11.223 1.00 0.00 N ATOM 0 H LYS A 31 91.913 -8.263 10.109 1.00 0.00 H new ATOM 0 HA LYS A 31 91.950 -5.826 8.726 1.00 0.00 H new ATOM 0 HB2 LYS A 31 91.700 -6.717 11.370 1.00 0.00 H new ATOM 0 HB3 LYS A 31 93.154 -5.741 11.426 1.00 0.00 H new ATOM 0 HG2 LYS A 31 91.989 -3.782 10.559 1.00 0.00 H new ATOM 0 HG3 LYS A 31 90.582 -4.728 10.116 1.00 0.00 H new ATOM 0 HD2 LYS A 31 90.212 -5.289 12.550 1.00 0.00 H new ATOM 0 HD3 LYS A 31 91.597 -4.304 12.977 1.00 0.00 H new ATOM 0 HE2 LYS A 31 89.476 -3.014 13.227 1.00 0.00 H new ATOM 0 HE3 LYS A 31 90.509 -2.290 12.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 88.114 -2.597 11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 89.237 -3.268 10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 88.385 -4.273 11.340 1.00 0.00 H new ATOM 500 N SER A 32 94.933 -6.978 9.221 1.00 0.00 N ATOM 501 CA SER A 32 96.338 -6.693 8.846 1.00 0.00 C ATOM 502 C SER A 32 96.339 -6.348 7.373 1.00 0.00 C ATOM 503 O SER A 32 97.038 -5.460 6.926 1.00 0.00 O ATOM 504 CB SER A 32 97.224 -7.903 9.071 1.00 0.00 C ATOM 505 OG SER A 32 96.634 -9.043 8.461 1.00 0.00 O ATOM 0 H SER A 32 94.749 -7.917 9.575 1.00 0.00 H new ATOM 0 HA SER A 32 96.726 -5.878 9.458 1.00 0.00 H new ATOM 0 HB2 SER A 32 98.214 -7.725 8.652 1.00 0.00 H new ATOM 0 HB3 SER A 32 97.356 -8.076 10.139 1.00 0.00 H new ATOM 0 HG SER A 32 97.207 -9.825 8.605 1.00 0.00 H new ATOM 511 N GLU A 33 95.531 -7.035 6.614 1.00 0.00 N ATOM 512 CA GLU A 33 95.458 -6.726 5.175 1.00 0.00 C ATOM 513 C GLU A 33 94.971 -5.308 5.038 1.00 0.00 C ATOM 514 O GLU A 33 95.220 -4.654 4.057 1.00 0.00 O ATOM 515 CB GLU A 33 94.534 -7.712 4.464 1.00 0.00 C ATOM 516 CG GLU A 33 95.213 -9.090 4.421 1.00 0.00 C ATOM 517 CD GLU A 33 96.423 -9.038 3.484 1.00 0.00 C ATOM 518 OE1 GLU A 33 96.480 -8.130 2.672 1.00 0.00 O ATOM 519 OE2 GLU A 33 97.273 -9.905 3.602 1.00 0.00 O ATOM 0 H GLU A 33 94.925 -7.791 6.933 1.00 0.00 H new ATOM 0 HA GLU A 33 96.438 -6.822 4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 33 93.580 -7.778 4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 33 94.320 -7.366 3.453 1.00 0.00 H new ATOM 0 HG2 GLU A 33 95.528 -9.383 5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 33 94.506 -9.844 4.076 1.00 0.00 H new ATOM 526 N LEU A 34 94.306 -4.792 6.027 1.00 0.00 N ATOM 527 CA LEU A 34 93.870 -3.381 5.897 1.00 0.00 C ATOM 528 C LEU A 34 95.137 -2.551 5.731 1.00 0.00 C ATOM 529 O LEU A 34 95.191 -1.639 4.930 1.00 0.00 O ATOM 530 CB LEU A 34 93.074 -2.940 7.156 1.00 0.00 C ATOM 531 CG LEU A 34 92.492 -1.502 7.053 1.00 0.00 C ATOM 532 CD1 LEU A 34 93.558 -0.438 7.396 1.00 0.00 C ATOM 533 CD2 LEU A 34 91.921 -1.240 5.652 1.00 0.00 C ATOM 0 H LEU A 34 94.052 -5.267 6.893 1.00 0.00 H new ATOM 0 HA LEU A 34 93.206 -3.248 5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 34 92.257 -3.642 7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 34 93.727 -2.997 8.027 1.00 0.00 H new ATOM 0 HG LEU A 34 91.684 -1.426 7.781 1.00 0.00 H new ATOM 0 HD11 LEU A 34 93.119 0.556 7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 34 93.914 -0.595 8.414 1.00 0.00 H new ATOM 0 HD13 LEU A 34 94.394 -0.524 6.702 1.00 0.00 H new ATOM 0 HD21 LEU A 34 91.520 -0.227 5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 34 92.712 -1.351 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 34 91.125 -1.955 5.444 1.00 0.00 H new ATOM 545 N LYS A 35 96.182 -2.876 6.453 1.00 0.00 N ATOM 546 CA LYS A 35 97.436 -2.102 6.275 1.00 0.00 C ATOM 547 C LYS A 35 98.127 -2.540 4.987 1.00 0.00 C ATOM 548 O LYS A 35 98.476 -1.731 4.154 1.00 0.00 O ATOM 549 CB LYS A 35 98.366 -2.350 7.462 1.00 0.00 C ATOM 550 CG LYS A 35 99.661 -1.559 7.291 1.00 0.00 C ATOM 551 CD LYS A 35 100.565 -1.818 8.497 1.00 0.00 C ATOM 552 CE LYS A 35 101.864 -1.032 8.342 1.00 0.00 C ATOM 553 NZ LYS A 35 102.745 -1.726 7.360 1.00 0.00 N ATOM 0 H LYS A 35 96.217 -3.628 7.142 1.00 0.00 H new ATOM 0 HA LYS A 35 97.199 -1.040 6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 35 97.872 -2.057 8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 35 98.589 -3.414 7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 35 100.165 -1.856 6.372 1.00 0.00 H new ATOM 0 HG3 LYS A 35 99.443 -0.494 7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 35 100.057 -1.523 9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 35 100.781 -2.883 8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 35 101.651 -0.018 8.004 1.00 0.00 H new ATOM 0 HE3 LYS A 35 102.369 -0.947 9.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 103.686 -1.283 7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 102.833 -2.729 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 102.331 -1.651 6.409 1.00 0.00 H new ATOM 567 N GLU A 36 98.347 -3.812 4.826 1.00 0.00 N ATOM 568 CA GLU A 36 99.041 -4.286 3.601 1.00 0.00 C ATOM 569 C GLU A 36 98.184 -4.030 2.363 1.00 0.00 C ATOM 570 O GLU A 36 98.691 -3.659 1.325 1.00 0.00 O ATOM 571 CB GLU A 36 99.367 -5.778 3.716 1.00 0.00 C ATOM 572 CG GLU A 36 100.081 -6.237 2.445 1.00 0.00 C ATOM 573 CD GLU A 36 100.587 -7.669 2.632 1.00 0.00 C ATOM 574 OE1 GLU A 36 100.371 -8.220 3.699 1.00 0.00 O ATOM 575 OE2 GLU A 36 101.179 -8.193 1.702 1.00 0.00 O ATOM 0 H GLU A 36 98.078 -4.541 5.486 1.00 0.00 H new ATOM 0 HA GLU A 36 99.972 -3.729 3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 36 99.997 -5.958 4.587 1.00 0.00 H new ATOM 0 HB3 GLU A 36 98.452 -6.352 3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 36 99.400 -6.189 1.595 1.00 0.00 H new ATOM 0 HG3 GLU A 36 100.915 -5.571 2.223 1.00 0.00 H new ATOM 582 N LEU A 37 96.899 -4.230 2.435 1.00 0.00 N ATOM 583 CA LEU A 37 96.074 -3.995 1.227 1.00 0.00 C ATOM 584 C LEU A 37 96.167 -2.528 0.845 1.00 0.00 C ATOM 585 O LEU A 37 96.215 -2.181 -0.316 1.00 0.00 O ATOM 586 CB LEU A 37 94.611 -4.385 1.504 1.00 0.00 C ATOM 587 CG LEU A 37 93.773 -4.369 0.195 1.00 0.00 C ATOM 588 CD1 LEU A 37 92.663 -5.426 0.272 1.00 0.00 C ATOM 589 CD2 LEU A 37 93.119 -2.993 -0.023 1.00 0.00 C ATOM 0 H LEU A 37 96.394 -4.541 3.265 1.00 0.00 H new ATOM 0 HA LEU A 37 96.442 -4.608 0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 37 94.574 -5.378 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 37 94.177 -3.694 2.226 1.00 0.00 H new ATOM 0 HG LEU A 37 94.446 -4.585 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 37 92.080 -5.409 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 37 93.108 -6.412 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 37 92.011 -5.208 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 37 92.538 -3.008 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 37 92.461 -2.766 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 37 93.893 -2.229 -0.094 1.00 0.00 H new ATOM 601 N LEU A 38 96.175 -1.647 1.799 1.00 0.00 N ATOM 602 CA LEU A 38 96.240 -0.200 1.426 1.00 0.00 C ATOM 603 C LEU A 38 97.607 0.183 0.865 1.00 0.00 C ATOM 604 O LEU A 38 97.703 0.954 -0.065 1.00 0.00 O ATOM 605 CB LEU A 38 95.912 0.676 2.632 1.00 0.00 C ATOM 606 CG LEU A 38 94.420 0.575 2.974 1.00 0.00 C ATOM 607 CD1 LEU A 38 94.143 1.440 4.208 1.00 0.00 C ATOM 608 CD2 LEU A 38 93.562 1.063 1.784 1.00 0.00 C ATOM 0 H LEU A 38 96.141 -1.851 2.798 1.00 0.00 H new ATOM 0 HA LEU A 38 95.499 -0.034 0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 38 96.510 0.366 3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 38 96.174 1.712 2.419 1.00 0.00 H new ATOM 0 HG LEU A 38 94.160 -0.463 3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 38 93.085 1.379 4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 38 94.741 1.081 5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 38 94.405 2.476 3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 38 92.506 0.986 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 38 93.806 2.102 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 38 93.769 0.446 0.909 1.00 0.00 H new ATOM 620 N THR A 39 98.662 -0.316 1.414 1.00 0.00 N ATOM 621 CA THR A 39 99.995 0.064 0.882 1.00 0.00 C ATOM 622 C THR A 39 100.183 -0.568 -0.477 1.00 0.00 C ATOM 623 O THR A 39 100.954 -0.101 -1.294 1.00 0.00 O ATOM 624 CB THR A 39 101.084 -0.437 1.820 1.00 0.00 C ATOM 625 OG1 THR A 39 101.046 -1.855 1.876 1.00 0.00 O ATOM 626 CG2 THR A 39 100.839 0.139 3.201 1.00 0.00 C ATOM 0 H THR A 39 98.668 -0.965 2.201 1.00 0.00 H new ATOM 0 HA THR A 39 100.058 1.149 0.801 1.00 0.00 H new ATOM 0 HB THR A 39 102.063 -0.123 1.458 1.00 0.00 H new ATOM 0 HG1 THR A 39 100.137 -2.166 1.680 1.00 0.00 H new ATOM 0 HG21 THR A 39 101.612 -0.212 3.884 1.00 0.00 H new ATOM 0 HG22 THR A 39 100.866 1.228 3.151 1.00 0.00 H new ATOM 0 HG23 THR A 39 99.862 -0.184 3.562 1.00 0.00 H new ATOM 634 N ARG A 40 99.496 -1.642 -0.731 1.00 0.00 N ATOM 635 CA ARG A 40 99.660 -2.308 -2.041 1.00 0.00 C ATOM 636 C ARG A 40 98.772 -1.640 -3.085 1.00 0.00 C ATOM 637 O ARG A 40 99.089 -1.638 -4.258 1.00 0.00 O ATOM 638 CB ARG A 40 99.298 -3.791 -1.935 1.00 0.00 C ATOM 639 CG ARG A 40 100.373 -4.529 -1.132 1.00 0.00 C ATOM 640 CD ARG A 40 100.010 -6.011 -1.052 1.00 0.00 C ATOM 641 NE ARG A 40 100.081 -6.606 -2.413 1.00 0.00 N ATOM 642 CZ ARG A 40 100.151 -7.900 -2.557 1.00 0.00 C ATOM 643 NH1 ARG A 40 100.193 -8.673 -1.507 1.00 0.00 N ATOM 644 NH2 ARG A 40 100.183 -8.419 -3.753 1.00 0.00 N ATOM 0 H ARG A 40 98.834 -2.082 -0.092 1.00 0.00 H new ATOM 0 HA ARG A 40 100.703 -2.218 -2.344 1.00 0.00 H new ATOM 0 HB2 ARG A 40 98.328 -3.905 -1.452 1.00 0.00 H new ATOM 0 HB3 ARG A 40 99.211 -4.226 -2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 40 101.347 -4.406 -1.606 1.00 0.00 H new ATOM 0 HG3 ARG A 40 100.450 -4.106 -0.130 1.00 0.00 H new ATOM 0 HD2 ARG A 40 100.693 -6.529 -0.379 1.00 0.00 H new ATOM 0 HD3 ARG A 40 99.007 -6.130 -0.642 1.00 0.00 H new ATOM 0 HE ARG A 40 100.075 -6.001 -3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 40 100.171 -8.265 -0.572 1.00 0.00 H new ATOM 0 HH12 ARG A 40 100.248 -9.685 -1.621 1.00 0.00 H new ATOM 0 HH21 ARG A 40 100.153 -7.813 -4.573 1.00 0.00 H new ATOM 0 HH22 ARG A 40 100.238 -9.431 -3.869 1.00 0.00 H new ATOM 658 N GLU A 41 97.653 -1.080 -2.676 1.00 0.00 N ATOM 659 CA GLU A 41 96.735 -0.420 -3.669 1.00 0.00 C ATOM 660 C GLU A 41 96.707 1.078 -3.447 1.00 0.00 C ATOM 661 O GLU A 41 96.336 1.823 -4.330 1.00 0.00 O ATOM 662 CB GLU A 41 95.317 -1.001 -3.532 1.00 0.00 C ATOM 663 CG GLU A 41 95.216 -2.344 -4.274 1.00 0.00 C ATOM 664 CD GLU A 41 96.035 -3.415 -3.550 1.00 0.00 C ATOM 665 OE1 GLU A 41 96.270 -3.256 -2.368 1.00 0.00 O ATOM 666 OE2 GLU A 41 96.407 -4.381 -4.194 1.00 0.00 O ATOM 0 H GLU A 41 97.337 -1.051 -1.707 1.00 0.00 H new ATOM 0 HA GLU A 41 97.106 -0.614 -4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 41 95.074 -1.141 -2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 41 94.588 -0.299 -3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 41 94.173 -2.655 -4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 41 95.577 -2.230 -5.296 1.00 0.00 H new ATOM 673 N LEU A 42 97.094 1.536 -2.291 1.00 0.00 N ATOM 674 CA LEU A 42 97.081 3.006 -2.044 1.00 0.00 C ATOM 675 C LEU A 42 98.298 3.412 -1.199 1.00 0.00 C ATOM 676 O LEU A 42 98.155 3.787 -0.054 1.00 0.00 O ATOM 677 CB LEU A 42 95.799 3.387 -1.292 1.00 0.00 C ATOM 678 CG LEU A 42 94.546 3.097 -2.158 1.00 0.00 C ATOM 679 CD1 LEU A 42 94.005 1.684 -1.864 1.00 0.00 C ATOM 680 CD2 LEU A 42 93.451 4.131 -1.852 1.00 0.00 C ATOM 0 H LEU A 42 97.417 0.963 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 42 97.119 3.525 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 42 95.739 2.827 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 42 95.827 4.444 -1.028 1.00 0.00 H new ATOM 0 HG LEU A 42 94.829 3.160 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 42 93.126 1.496 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 42 94.773 0.945 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 42 93.733 1.610 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 42 92.573 3.923 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 42 93.181 4.074 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 42 93.821 5.131 -2.078 1.00 0.00 H new ATOM 692 N PRO A 43 99.485 3.355 -1.748 1.00 0.00 N ATOM 693 CA PRO A 43 100.697 3.748 -0.977 1.00 0.00 C ATOM 694 C PRO A 43 100.749 5.263 -0.707 1.00 0.00 C ATOM 695 O PRO A 43 100.512 5.716 0.395 1.00 0.00 O ATOM 696 CB PRO A 43 101.845 3.302 -1.906 1.00 0.00 C ATOM 697 CG PRO A 43 101.238 2.839 -3.250 1.00 0.00 C ATOM 698 CD PRO A 43 99.701 2.895 -3.144 1.00 0.00 C ATOM 0 HA PRO A 43 100.735 3.296 0.014 1.00 0.00 H new ATOM 0 HB2 PRO A 43 102.542 4.124 -2.069 1.00 0.00 H new ATOM 0 HB3 PRO A 43 102.410 2.491 -1.447 1.00 0.00 H new ATOM 0 HG2 PRO A 43 101.584 3.479 -4.061 1.00 0.00 H new ATOM 0 HG3 PRO A 43 101.564 1.825 -3.482 1.00 0.00 H new ATOM 0 HD2 PRO A 43 99.270 3.586 -3.869 1.00 0.00 H new ATOM 0 HD3 PRO A 43 99.247 1.920 -3.324 1.00 0.00 H new ATOM 706 N SER A 44 101.069 6.040 -1.707 1.00 0.00 N ATOM 707 CA SER A 44 101.150 7.518 -1.517 1.00 0.00 C ATOM 708 C SER A 44 99.754 8.111 -1.306 1.00 0.00 C ATOM 709 O SER A 44 99.566 8.982 -0.496 1.00 0.00 O ATOM 710 CB SER A 44 101.777 8.142 -2.762 1.00 0.00 C ATOM 711 OG SER A 44 102.012 9.525 -2.533 1.00 0.00 O ATOM 0 H SER A 44 101.279 5.714 -2.650 1.00 0.00 H new ATOM 0 HA SER A 44 101.757 7.731 -0.637 1.00 0.00 H new ATOM 0 HB2 SER A 44 102.713 7.638 -3.002 1.00 0.00 H new ATOM 0 HB3 SER A 44 101.116 8.012 -3.619 1.00 0.00 H new ATOM 0 HG SER A 44 102.416 9.925 -3.331 1.00 0.00 H new ATOM 717 N PHE A 45 98.787 7.645 -2.044 1.00 0.00 N ATOM 718 CA PHE A 45 97.389 8.179 -1.930 1.00 0.00 C ATOM 719 C PHE A 45 96.933 8.286 -0.471 1.00 0.00 C ATOM 720 O PHE A 45 95.891 8.839 -0.178 1.00 0.00 O ATOM 721 CB PHE A 45 96.462 7.219 -2.648 1.00 0.00 C ATOM 722 CG PHE A 45 96.736 7.275 -4.130 1.00 0.00 C ATOM 723 CD1 PHE A 45 96.052 8.194 -4.932 1.00 0.00 C ATOM 724 CD2 PHE A 45 97.684 6.417 -4.700 1.00 0.00 C ATOM 725 CE1 PHE A 45 96.313 8.253 -6.306 1.00 0.00 C ATOM 726 CE2 PHE A 45 97.947 6.477 -6.074 1.00 0.00 C ATOM 727 CZ PHE A 45 97.261 7.396 -6.877 1.00 0.00 C ATOM 0 H PHE A 45 98.902 6.904 -2.735 1.00 0.00 H new ATOM 0 HA PHE A 45 97.365 9.177 -2.367 1.00 0.00 H new ATOM 0 HB2 PHE A 45 96.612 6.205 -2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 45 95.423 7.481 -2.449 1.00 0.00 H new ATOM 0 HD1 PHE A 45 95.323 8.858 -4.492 1.00 0.00 H new ATOM 0 HD2 PHE A 45 98.213 5.708 -4.080 1.00 0.00 H new ATOM 0 HE1 PHE A 45 95.782 8.960 -6.926 1.00 0.00 H new ATOM 0 HE2 PHE A 45 98.678 5.815 -6.514 1.00 0.00 H new ATOM 0 HZ PHE A 45 97.463 7.444 -7.937 1.00 0.00 H new ATOM 737 N LEU A 46 97.700 7.766 0.438 1.00 0.00 N ATOM 738 CA LEU A 46 97.327 7.829 1.896 1.00 0.00 C ATOM 739 C LEU A 46 98.522 8.381 2.642 1.00 0.00 C ATOM 740 O LEU A 46 98.414 9.266 3.468 1.00 0.00 O ATOM 741 CB LEU A 46 97.001 6.425 2.419 1.00 0.00 C ATOM 742 CG LEU A 46 95.784 5.856 1.679 1.00 0.00 C ATOM 743 CD1 LEU A 46 95.668 4.363 1.980 1.00 0.00 C ATOM 744 CD2 LEU A 46 94.494 6.556 2.138 1.00 0.00 C ATOM 0 H LEU A 46 98.582 7.292 0.243 1.00 0.00 H new ATOM 0 HA LEU A 46 96.449 8.460 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 46 97.860 5.768 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 46 96.799 6.465 3.489 1.00 0.00 H new ATOM 0 HG LEU A 46 95.917 6.021 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 46 94.804 3.952 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 46 96.571 3.853 1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 46 95.545 4.217 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 46 93.642 6.138 1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 46 94.358 6.403 3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 46 94.566 7.624 1.930 1.00 0.00 H new ATOM 756 N GLY A 47 99.676 7.898 2.297 1.00 0.00 N ATOM 757 CA GLY A 47 100.918 8.418 2.909 1.00 0.00 C ATOM 758 C GLY A 47 101.303 9.610 2.061 1.00 0.00 C ATOM 759 O GLY A 47 102.457 9.966 1.926 1.00 0.00 O ATOM 0 H GLY A 47 99.812 7.157 1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 47 100.755 8.708 3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 47 101.704 7.663 2.909 1.00 0.00 H new ATOM 763 N LYS A 48 100.311 10.197 1.444 1.00 0.00 N ATOM 764 CA LYS A 48 100.562 11.340 0.543 1.00 0.00 C ATOM 765 C LYS A 48 101.226 12.476 1.321 1.00 0.00 C ATOM 766 O LYS A 48 102.132 13.124 0.837 1.00 0.00 O ATOM 767 CB LYS A 48 99.232 11.851 -0.014 1.00 0.00 C ATOM 768 CG LYS A 48 99.506 12.858 -1.123 1.00 0.00 C ATOM 769 CD LYS A 48 98.198 13.187 -1.831 1.00 0.00 C ATOM 770 CE LYS A 48 98.462 14.232 -2.916 1.00 0.00 C ATOM 771 NZ LYS A 48 97.283 14.313 -3.822 1.00 0.00 N ATOM 0 H LYS A 48 99.332 9.925 1.532 1.00 0.00 H new ATOM 0 HA LYS A 48 101.212 11.014 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 48 98.642 11.019 -0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 48 98.647 12.316 0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 48 99.947 13.764 -0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 48 100.225 12.450 -1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 48 97.773 12.286 -2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 48 97.468 13.565 -1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 48 98.653 15.204 -2.461 1.00 0.00 H new ATOM 0 HE3 LYS A 48 99.353 13.965 -3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 97.461 15.023 -4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 97.121 13.386 -4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 96.442 14.586 -3.274 1.00 0.00 H new ATOM 785 N ARG A 49 100.773 12.720 2.527 1.00 0.00 N ATOM 786 CA ARG A 49 101.362 13.816 3.366 1.00 0.00 C ATOM 787 C ARG A 49 101.873 13.231 4.680 1.00 0.00 C ATOM 788 O ARG A 49 101.382 12.228 5.158 1.00 0.00 O ATOM 789 CB ARG A 49 100.299 14.882 3.659 1.00 0.00 C ATOM 790 CG ARG A 49 99.129 14.266 4.425 1.00 0.00 C ATOM 791 CD ARG A 49 98.009 15.302 4.552 1.00 0.00 C ATOM 792 NE ARG A 49 96.961 14.795 5.480 1.00 0.00 N ATOM 793 CZ ARG A 49 96.060 15.611 5.960 1.00 0.00 C ATOM 794 NH1 ARG A 49 96.065 16.871 5.613 1.00 0.00 N ATOM 795 NH2 ARG A 49 95.152 15.166 6.787 1.00 0.00 N ATOM 0 H ARG A 49 100.014 12.203 2.971 1.00 0.00 H new ATOM 0 HA ARG A 49 102.188 14.276 2.824 1.00 0.00 H new ATOM 0 HB2 ARG A 49 100.737 15.693 4.241 1.00 0.00 H new ATOM 0 HB3 ARG A 49 99.943 15.317 2.725 1.00 0.00 H new ATOM 0 HG2 ARG A 49 98.764 13.380 3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 49 99.456 13.943 5.413 1.00 0.00 H new ATOM 0 HD2 ARG A 49 98.412 16.244 4.923 1.00 0.00 H new ATOM 0 HD3 ARG A 49 97.575 15.504 3.573 1.00 0.00 H new ATOM 0 HE ARG A 49 96.946 13.809 5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 49 96.773 17.219 4.966 1.00 0.00 H new ATOM 0 HH12 ARG A 49 95.361 17.506 5.989 1.00 0.00 H new ATOM 0 HH21 ARG A 49 95.147 14.183 7.058 1.00 0.00 H new ATOM 0 HH22 ARG A 49 94.448 15.802 7.162 1.00 0.00 H new ATOM 809 N THR A 50 102.861 13.851 5.266 1.00 0.00 N ATOM 810 CA THR A 50 103.410 13.336 6.551 1.00 0.00 C ATOM 811 C THR A 50 102.352 13.485 7.645 1.00 0.00 C ATOM 812 O THR A 50 102.454 12.907 8.708 1.00 0.00 O ATOM 813 CB THR A 50 104.660 14.138 6.920 1.00 0.00 C ATOM 814 OG1 THR A 50 105.480 14.271 5.767 1.00 0.00 O ATOM 815 CG2 THR A 50 105.442 13.414 8.019 1.00 0.00 C ATOM 0 H THR A 50 103.312 14.693 4.909 1.00 0.00 H new ATOM 0 HA THR A 50 103.675 12.284 6.449 1.00 0.00 H new ATOM 0 HB THR A 50 104.365 15.122 7.284 1.00 0.00 H new ATOM 0 HG1 THR A 50 106.283 14.785 5.994 1.00 0.00 H new ATOM 0 HG21 THR A 50 106.330 13.992 8.275 1.00 0.00 H new ATOM 0 HG22 THR A 50 104.813 13.305 8.902 1.00 0.00 H new ATOM 0 HG23 THR A 50 105.741 12.428 7.663 1.00 0.00 H new ATOM 823 N ASP A 51 101.325 14.249 7.384 1.00 0.00 N ATOM 824 CA ASP A 51 100.245 14.427 8.397 1.00 0.00 C ATOM 825 C ASP A 51 99.251 13.271 8.279 1.00 0.00 C ATOM 826 O ASP A 51 98.053 13.470 8.247 1.00 0.00 O ATOM 827 CB ASP A 51 99.514 15.748 8.146 1.00 0.00 C ATOM 828 CG ASP A 51 100.407 16.919 8.560 1.00 0.00 C ATOM 829 OD1 ASP A 51 101.371 16.684 9.270 1.00 0.00 O ATOM 830 OD2 ASP A 51 100.111 18.031 8.157 1.00 0.00 O ATOM 0 H ASP A 51 101.187 14.758 6.511 1.00 0.00 H new ATOM 0 HA ASP A 51 100.683 14.440 9.395 1.00 0.00 H new ATOM 0 HB2 ASP A 51 99.251 15.834 7.092 1.00 0.00 H new ATOM 0 HB3 ASP A 51 98.582 15.772 8.711 1.00 0.00 H new ATOM 835 N GLU A 52 99.743 12.063 8.208 1.00 0.00 N ATOM 836 CA GLU A 52 98.829 10.889 8.090 1.00 0.00 C ATOM 837 C GLU A 52 97.908 10.845 9.312 1.00 0.00 C ATOM 838 O GLU A 52 96.735 10.567 9.198 1.00 0.00 O ATOM 839 CB GLU A 52 99.666 9.608 8.053 1.00 0.00 C ATOM 840 CG GLU A 52 100.432 9.519 6.733 1.00 0.00 C ATOM 841 CD GLU A 52 101.335 8.283 6.764 1.00 0.00 C ATOM 842 OE1 GLU A 52 101.346 7.612 7.782 1.00 0.00 O ATOM 843 OE2 GLU A 52 101.999 8.029 5.773 1.00 0.00 O ATOM 0 H GLU A 52 100.738 11.838 8.227 1.00 0.00 H new ATOM 0 HA GLU A 52 98.234 10.973 7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 52 100.365 9.597 8.889 1.00 0.00 H new ATOM 0 HB3 GLU A 52 99.019 8.738 8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 52 99.736 9.456 5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 52 101.029 10.418 6.583 1.00 0.00 H new ATOM 850 N ALA A 53 98.461 11.142 10.464 1.00 0.00 N ATOM 851 CA ALA A 53 97.702 11.163 11.766 1.00 0.00 C ATOM 852 C ALA A 53 96.324 10.484 11.684 1.00 0.00 C ATOM 853 O ALA A 53 96.134 9.394 12.184 1.00 0.00 O ATOM 854 CB ALA A 53 97.523 12.620 12.201 1.00 0.00 C ATOM 0 H ALA A 53 99.448 11.381 10.563 1.00 0.00 H new ATOM 0 HA ALA A 53 98.285 10.595 12.491 1.00 0.00 H new ATOM 0 HB1 ALA A 53 96.975 12.654 13.143 1.00 0.00 H new ATOM 0 HB2 ALA A 53 98.501 13.083 12.333 1.00 0.00 H new ATOM 0 HB3 ALA A 53 96.965 13.162 11.437 1.00 0.00 H new ATOM 860 N ALA A 54 95.353 11.120 11.088 1.00 0.00 N ATOM 861 CA ALA A 54 94.001 10.493 11.027 1.00 0.00 C ATOM 862 C ALA A 54 94.097 9.144 10.329 1.00 0.00 C ATOM 863 O ALA A 54 93.462 8.186 10.714 1.00 0.00 O ATOM 864 CB ALA A 54 93.033 11.378 10.260 1.00 0.00 C ATOM 0 H ALA A 54 95.434 12.035 10.645 1.00 0.00 H new ATOM 0 HA ALA A 54 93.634 10.364 12.045 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.053 10.902 10.227 1.00 0.00 H new ATOM 0 HB2 ALA A 54 92.951 12.344 10.758 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.400 11.523 9.244 1.00 0.00 H new ATOM 870 N PHE A 55 94.885 9.044 9.312 1.00 0.00 N ATOM 871 CA PHE A 55 95.009 7.736 8.635 1.00 0.00 C ATOM 872 C PHE A 55 95.648 6.762 9.617 1.00 0.00 C ATOM 873 O PHE A 55 95.326 5.590 9.654 1.00 0.00 O ATOM 874 CB PHE A 55 95.880 7.878 7.400 1.00 0.00 C ATOM 875 CG PHE A 55 95.132 8.672 6.357 1.00 0.00 C ATOM 876 CD1 PHE A 55 94.273 8.019 5.462 1.00 0.00 C ATOM 877 CD2 PHE A 55 95.285 10.062 6.291 1.00 0.00 C ATOM 878 CE1 PHE A 55 93.572 8.759 4.500 1.00 0.00 C ATOM 879 CE2 PHE A 55 94.582 10.799 5.331 1.00 0.00 C ATOM 880 CZ PHE A 55 93.726 10.147 4.437 1.00 0.00 C ATOM 0 H PHE A 55 95.445 9.801 8.921 1.00 0.00 H new ATOM 0 HA PHE A 55 94.030 7.371 8.324 1.00 0.00 H new ATOM 0 HB2 PHE A 55 96.815 8.378 7.654 1.00 0.00 H new ATOM 0 HB3 PHE A 55 96.141 6.895 7.009 1.00 0.00 H new ATOM 0 HD1 PHE A 55 94.152 6.947 5.514 1.00 0.00 H new ATOM 0 HD2 PHE A 55 95.946 10.566 6.981 1.00 0.00 H new ATOM 0 HE1 PHE A 55 92.913 8.257 3.807 1.00 0.00 H new ATOM 0 HE2 PHE A 55 94.700 11.871 5.280 1.00 0.00 H new ATOM 0 HZ PHE A 55 93.183 10.717 3.697 1.00 0.00 H new ATOM 890 N GLN A 56 96.537 7.255 10.436 1.00 0.00 N ATOM 891 CA GLN A 56 97.183 6.373 11.446 1.00 0.00 C ATOM 892 C GLN A 56 96.142 6.008 12.489 1.00 0.00 C ATOM 893 O GLN A 56 96.218 4.984 13.135 1.00 0.00 O ATOM 894 CB GLN A 56 98.352 7.097 12.120 1.00 0.00 C ATOM 895 CG GLN A 56 99.497 7.265 11.120 1.00 0.00 C ATOM 896 CD GLN A 56 100.646 8.030 11.783 1.00 0.00 C ATOM 897 OE1 GLN A 56 100.434 8.772 12.722 1.00 0.00 O ATOM 898 NE2 GLN A 56 101.861 7.878 11.333 1.00 0.00 N ATOM 0 H GLN A 56 96.842 8.228 10.449 1.00 0.00 H new ATOM 0 HA GLN A 56 97.570 5.478 10.959 1.00 0.00 H new ATOM 0 HB2 GLN A 56 98.028 8.072 12.484 1.00 0.00 H new ATOM 0 HB3 GLN A 56 98.693 6.530 12.987 1.00 0.00 H new ATOM 0 HG2 GLN A 56 99.844 6.289 10.781 1.00 0.00 H new ATOM 0 HG3 GLN A 56 99.148 7.803 10.239 1.00 0.00 H new ATOM 0 HE21 GLN A 56 102.039 7.255 10.545 1.00 0.00 H new ATOM 0 HE22 GLN A 56 102.633 8.382 11.769 1.00 0.00 H new ATOM 907 N LYS A 57 95.152 6.835 12.631 1.00 0.00 N ATOM 908 CA LYS A 57 94.069 6.540 13.606 1.00 0.00 C ATOM 909 C LYS A 57 93.256 5.393 13.031 1.00 0.00 C ATOM 910 O LYS A 57 92.880 4.467 13.722 1.00 0.00 O ATOM 911 CB LYS A 57 93.215 7.800 13.847 1.00 0.00 C ATOM 912 CG LYS A 57 91.810 7.427 14.341 1.00 0.00 C ATOM 913 CD LYS A 57 91.195 8.598 15.115 1.00 0.00 C ATOM 914 CE LYS A 57 91.021 9.797 14.183 1.00 0.00 C ATOM 915 NZ LYS A 57 90.305 9.367 12.951 1.00 0.00 N ATOM 0 H LYS A 57 95.043 7.707 12.113 1.00 0.00 H new ATOM 0 HA LYS A 57 94.469 6.251 14.578 1.00 0.00 H new ATOM 0 HB2 LYS A 57 93.704 8.440 14.581 1.00 0.00 H new ATOM 0 HB3 LYS A 57 93.139 8.374 12.924 1.00 0.00 H new ATOM 0 HG2 LYS A 57 91.175 7.168 13.494 1.00 0.00 H new ATOM 0 HG3 LYS A 57 91.863 6.546 14.981 1.00 0.00 H new ATOM 0 HD2 LYS A 57 90.231 8.305 15.531 1.00 0.00 H new ATOM 0 HD3 LYS A 57 91.835 8.868 15.955 1.00 0.00 H new ATOM 0 HE2 LYS A 57 90.460 10.584 14.687 1.00 0.00 H new ATOM 0 HE3 LYS A 57 91.994 10.214 13.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 89.764 10.168 12.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 90.995 9.044 12.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 89.655 8.589 13.181 1.00 0.00 H new ATOM 929 N LEU A 58 93.032 5.424 11.752 1.00 0.00 N ATOM 930 CA LEU A 58 92.304 4.308 11.111 1.00 0.00 C ATOM 931 C LEU A 58 93.160 3.074 11.322 1.00 0.00 C ATOM 932 O LEU A 58 92.697 2.032 11.742 1.00 0.00 O ATOM 933 CB LEU A 58 92.122 4.594 9.615 1.00 0.00 C ATOM 934 CG LEU A 58 91.392 3.428 8.934 1.00 0.00 C ATOM 935 CD1 LEU A 58 89.994 3.243 9.551 1.00 0.00 C ATOM 936 CD2 LEU A 58 91.264 3.727 7.434 1.00 0.00 C ATOM 0 H LEU A 58 93.322 6.174 11.125 1.00 0.00 H new ATOM 0 HA LEU A 58 91.310 4.173 11.538 1.00 0.00 H new ATOM 0 HB2 LEU A 58 91.555 5.515 9.480 1.00 0.00 H new ATOM 0 HB3 LEU A 58 93.094 4.747 9.146 1.00 0.00 H new ATOM 0 HG LEU A 58 91.960 2.509 9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 58 89.486 2.413 9.060 1.00 0.00 H new ATOM 0 HD12 LEU A 58 90.091 3.030 10.615 1.00 0.00 H new ATOM 0 HD13 LEU A 58 89.413 4.155 9.416 1.00 0.00 H new ATOM 0 HD21 LEU A 58 90.746 2.904 6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 58 90.697 4.648 7.294 1.00 0.00 H new ATOM 0 HD23 LEU A 58 92.257 3.842 7.000 1.00 0.00 H new ATOM 948 N MET A 59 94.432 3.215 11.077 1.00 0.00 N ATOM 949 CA MET A 59 95.364 2.088 11.309 1.00 0.00 C ATOM 950 C MET A 59 95.376 1.791 12.798 1.00 0.00 C ATOM 951 O MET A 59 95.418 0.657 13.223 1.00 0.00 O ATOM 952 CB MET A 59 96.772 2.470 10.852 1.00 0.00 C ATOM 953 CG MET A 59 97.705 1.259 10.964 1.00 0.00 C ATOM 954 SD MET A 59 98.269 1.102 12.676 1.00 0.00 S ATOM 955 CE MET A 59 99.373 -0.306 12.421 1.00 0.00 C ATOM 0 H MET A 59 94.864 4.069 10.724 1.00 0.00 H new ATOM 0 HA MET A 59 95.042 1.212 10.745 1.00 0.00 H new ATOM 0 HB2 MET A 59 96.745 2.825 9.822 1.00 0.00 H new ATOM 0 HB3 MET A 59 97.152 3.290 11.462 1.00 0.00 H new ATOM 0 HG2 MET A 59 97.184 0.353 10.655 1.00 0.00 H new ATOM 0 HG3 MET A 59 98.558 1.379 10.297 1.00 0.00 H new ATOM 0 HE1 MET A 59 99.839 -0.579 13.368 1.00 0.00 H new ATOM 0 HE2 MET A 59 98.801 -1.153 12.041 1.00 0.00 H new ATOM 0 HE3 MET A 59 100.145 -0.037 11.700 1.00 0.00 H new ATOM 965 N SER A 60 95.334 2.809 13.604 1.00 0.00 N ATOM 966 CA SER A 60 95.328 2.568 15.075 1.00 0.00 C ATOM 967 C SER A 60 94.155 1.656 15.395 1.00 0.00 C ATOM 968 O SER A 60 94.167 0.926 16.363 1.00 0.00 O ATOM 969 CB SER A 60 95.180 3.885 15.831 1.00 0.00 C ATOM 970 OG SER A 60 95.428 3.664 17.214 1.00 0.00 O ATOM 0 H SER A 60 95.304 3.787 13.317 1.00 0.00 H new ATOM 0 HA SER A 60 96.267 2.107 15.380 1.00 0.00 H new ATOM 0 HB2 SER A 60 95.879 4.624 15.438 1.00 0.00 H new ATOM 0 HB3 SER A 60 94.177 4.288 15.690 1.00 0.00 H new ATOM 0 HG SER A 60 95.335 4.509 17.702 1.00 0.00 H new ATOM 976 N ASN A 61 93.153 1.655 14.564 1.00 0.00 N ATOM 977 CA ASN A 61 92.018 0.739 14.816 1.00 0.00 C ATOM 978 C ASN A 61 92.539 -0.650 14.506 1.00 0.00 C ATOM 979 O ASN A 61 92.134 -1.635 15.081 1.00 0.00 O ATOM 980 CB ASN A 61 90.835 1.082 13.907 1.00 0.00 C ATOM 981 CG ASN A 61 89.576 0.397 14.439 1.00 0.00 C ATOM 982 OD1 ASN A 61 89.451 -0.897 14.322 1.00 0.00 O flip ATOM 983 ND2 ASN A 61 88.699 1.045 14.974 1.00 0.00 N flip ATOM 0 H ASN A 61 93.074 2.241 13.733 1.00 0.00 H new ATOM 0 HA ASN A 61 91.660 0.817 15.843 1.00 0.00 H new ATOM 0 HB2 ASN A 61 90.689 2.162 13.872 1.00 0.00 H new ATOM 0 HB3 ASN A 61 91.038 0.755 12.887 1.00 0.00 H new ATOM 0 HD21 ASN A 61 88.796 2.056 15.066 1.00 0.00 H new ATOM 0 HD22 ASN A 61 87.866 0.578 15.331 1.00 0.00 H new ATOM 990 N LEU A 62 93.487 -0.724 13.618 1.00 0.00 N ATOM 991 CA LEU A 62 94.085 -2.033 13.301 1.00 0.00 C ATOM 992 C LEU A 62 94.675 -2.540 14.615 1.00 0.00 C ATOM 993 O LEU A 62 94.697 -3.720 14.902 1.00 0.00 O ATOM 994 CB LEU A 62 95.177 -1.847 12.230 1.00 0.00 C ATOM 995 CG LEU A 62 95.203 -3.049 11.300 1.00 0.00 C ATOM 996 CD1 LEU A 62 96.235 -2.806 10.199 1.00 0.00 C ATOM 997 CD2 LEU A 62 95.566 -4.308 12.095 1.00 0.00 C ATOM 0 H LEU A 62 93.869 0.068 13.102 1.00 0.00 H new ATOM 0 HA LEU A 62 93.361 -2.744 12.902 1.00 0.00 H new ATOM 0 HB2 LEU A 62 94.986 -0.939 11.658 1.00 0.00 H new ATOM 0 HB3 LEU A 62 96.149 -1.725 12.707 1.00 0.00 H new ATOM 0 HG LEU A 62 94.220 -3.190 10.850 1.00 0.00 H new ATOM 0 HD11 LEU A 62 96.260 -3.664 9.528 1.00 0.00 H new ATOM 0 HD12 LEU A 62 95.963 -1.913 9.636 1.00 0.00 H new ATOM 0 HD13 LEU A 62 97.219 -2.667 10.647 1.00 0.00 H new ATOM 0 HD21 LEU A 62 95.584 -5.168 11.426 1.00 0.00 H new ATOM 0 HD22 LEU A 62 96.549 -4.181 12.549 1.00 0.00 H new ATOM 0 HD23 LEU A 62 94.824 -4.472 12.876 1.00 0.00 H new ATOM 1009 N ASP A 63 95.105 -1.617 15.436 1.00 0.00 N ATOM 1010 CA ASP A 63 95.649 -1.978 16.766 1.00 0.00 C ATOM 1011 C ASP A 63 94.469 -2.068 17.741 1.00 0.00 C ATOM 1012 O ASP A 63 94.642 -2.179 18.939 1.00 0.00 O ATOM 1013 CB ASP A 63 96.639 -0.906 17.241 1.00 0.00 C ATOM 1014 CG ASP A 63 97.905 -0.970 16.386 1.00 0.00 C ATOM 1015 OD1 ASP A 63 98.127 -2.001 15.773 1.00 0.00 O ATOM 1016 OD2 ASP A 63 98.634 0.009 16.364 1.00 0.00 O ATOM 0 H ASP A 63 95.100 -0.617 15.233 1.00 0.00 H new ATOM 0 HA ASP A 63 96.178 -2.929 16.715 1.00 0.00 H new ATOM 0 HB2 ASP A 63 96.186 0.082 17.166 1.00 0.00 H new ATOM 0 HB3 ASP A 63 96.887 -1.064 18.291 1.00 0.00 H new ATOM 1021 N SER A 64 93.260 -2.008 17.223 1.00 0.00 N ATOM 1022 CA SER A 64 92.061 -2.076 18.111 1.00 0.00 C ATOM 1023 C SER A 64 92.049 -3.419 18.845 1.00 0.00 C ATOM 1024 O SER A 64 92.668 -4.373 18.418 1.00 0.00 O ATOM 1025 CB SER A 64 90.771 -1.978 17.292 1.00 0.00 C ATOM 1026 OG SER A 64 90.736 -3.032 16.341 1.00 0.00 O ATOM 0 H SER A 64 93.058 -1.915 16.228 1.00 0.00 H new ATOM 0 HA SER A 64 92.112 -1.245 18.814 1.00 0.00 H new ATOM 0 HB2 SER A 64 89.904 -2.038 17.950 1.00 0.00 H new ATOM 0 HB3 SER A 64 90.721 -1.014 16.785 1.00 0.00 H new ATOM 0 HG SER A 64 91.490 -2.939 15.722 1.00 0.00 H new ATOM 1032 N ASN A 65 91.335 -3.511 19.932 1.00 0.00 N ATOM 1033 CA ASN A 65 91.271 -4.803 20.671 1.00 0.00 C ATOM 1034 C ASN A 65 90.336 -5.760 19.923 1.00 0.00 C ATOM 1035 O ASN A 65 90.222 -6.922 20.258 1.00 0.00 O ATOM 1036 CB ASN A 65 90.728 -4.568 22.084 1.00 0.00 C ATOM 1037 CG ASN A 65 91.734 -3.754 22.899 1.00 0.00 C ATOM 1038 OD1 ASN A 65 92.905 -4.077 22.938 1.00 0.00 O ATOM 1039 ND2 ASN A 65 91.323 -2.707 23.561 1.00 0.00 N ATOM 0 H ASN A 65 90.794 -2.749 20.340 1.00 0.00 H new ATOM 0 HA ASN A 65 92.270 -5.233 20.738 1.00 0.00 H new ATOM 0 HB2 ASN A 65 89.776 -4.040 22.034 1.00 0.00 H new ATOM 0 HB3 ASN A 65 90.538 -5.523 22.574 1.00 0.00 H new ATOM 0 HD21 ASN A 65 91.985 -2.160 24.111 1.00 0.00 H new ATOM 0 HD22 ASN A 65 90.340 -2.436 23.528 1.00 0.00 H new ATOM 1046 N ARG A 66 89.655 -5.268 18.922 1.00 0.00 N ATOM 1047 CA ARG A 66 88.707 -6.126 18.148 1.00 0.00 C ATOM 1048 C ARG A 66 89.373 -7.453 17.763 1.00 0.00 C ATOM 1049 O ARG A 66 90.528 -7.694 18.053 1.00 0.00 O ATOM 1050 CB ARG A 66 88.268 -5.384 16.884 1.00 0.00 C ATOM 1051 CG ARG A 66 87.360 -4.214 17.274 1.00 0.00 C ATOM 1052 CD ARG A 66 86.839 -3.526 16.008 1.00 0.00 C ATOM 1053 NE ARG A 66 86.170 -2.230 16.367 1.00 0.00 N ATOM 1054 CZ ARG A 66 85.180 -2.177 17.220 1.00 0.00 C ATOM 1055 NH1 ARG A 66 84.610 -3.271 17.649 1.00 0.00 N ATOM 1056 NH2 ARG A 66 84.715 -1.018 17.600 1.00 0.00 N ATOM 0 H ARG A 66 89.715 -4.301 18.604 1.00 0.00 H new ATOM 0 HA ARG A 66 87.838 -6.342 18.770 1.00 0.00 H new ATOM 0 HB2 ARG A 66 89.140 -5.018 16.342 1.00 0.00 H new ATOM 0 HB3 ARG A 66 87.739 -6.063 16.215 1.00 0.00 H new ATOM 0 HG2 ARG A 66 86.525 -4.573 17.875 1.00 0.00 H new ATOM 0 HG3 ARG A 66 87.911 -3.501 17.887 1.00 0.00 H new ATOM 0 HD2 ARG A 66 87.663 -3.341 15.319 1.00 0.00 H new ATOM 0 HD3 ARG A 66 86.134 -4.179 15.493 1.00 0.00 H new ATOM 0 HE ARG A 66 86.497 -1.367 15.933 1.00 0.00 H new ATOM 0 HH11 ARG A 66 84.936 -4.179 17.319 1.00 0.00 H new ATOM 0 HH12 ARG A 66 83.839 -3.217 18.314 1.00 0.00 H new ATOM 0 HH21 ARG A 66 85.124 -0.159 17.232 1.00 0.00 H new ATOM 0 HH22 ARG A 66 83.943 -0.971 18.265 1.00 0.00 H new ATOM 1070 N ASP A 67 88.636 -8.320 17.116 1.00 0.00 N ATOM 1071 CA ASP A 67 89.193 -9.646 16.715 1.00 0.00 C ATOM 1072 C ASP A 67 90.187 -9.476 15.563 1.00 0.00 C ATOM 1073 O ASP A 67 90.715 -10.441 15.048 1.00 0.00 O ATOM 1074 CB ASP A 67 88.049 -10.566 16.278 1.00 0.00 C ATOM 1075 CG ASP A 67 87.214 -10.950 17.501 1.00 0.00 C ATOM 1076 OD1 ASP A 67 87.714 -10.811 18.604 1.00 0.00 O ATOM 1077 OD2 ASP A 67 86.084 -11.373 17.312 1.00 0.00 O ATOM 0 H ASP A 67 87.665 -8.164 16.847 1.00 0.00 H new ATOM 0 HA ASP A 67 89.713 -10.087 17.565 1.00 0.00 H new ATOM 0 HB2 ASP A 67 87.424 -10.063 15.540 1.00 0.00 H new ATOM 0 HB3 ASP A 67 88.449 -11.461 15.801 1.00 0.00 H new ATOM 1082 N ASN A 68 90.443 -8.260 15.161 1.00 0.00 N ATOM 1083 CA ASN A 68 91.412 -8.005 14.050 1.00 0.00 C ATOM 1084 C ASN A 68 90.970 -8.726 12.770 1.00 0.00 C ATOM 1085 O ASN A 68 91.790 -9.237 12.031 1.00 0.00 O ATOM 1086 CB ASN A 68 92.812 -8.498 14.447 1.00 0.00 C ATOM 1087 CG ASN A 68 93.287 -7.764 15.705 1.00 0.00 C ATOM 1088 OD1 ASN A 68 93.781 -8.379 16.629 1.00 0.00 O ATOM 1089 ND2 ASN A 68 93.163 -6.466 15.779 1.00 0.00 N ATOM 0 H ASN A 68 90.018 -7.422 15.558 1.00 0.00 H new ATOM 0 HA ASN A 68 91.439 -6.931 13.864 1.00 0.00 H new ATOM 0 HB2 ASN A 68 92.790 -9.573 14.629 1.00 0.00 H new ATOM 0 HB3 ASN A 68 93.512 -8.327 13.630 1.00 0.00 H new ATOM 0 HD21 ASN A 68 93.481 -5.970 16.612 1.00 0.00 H new ATOM 0 HD22 ASN A 68 92.748 -5.948 15.004 1.00 0.00 H new ATOM 1096 N GLU A 69 89.686 -8.761 12.492 1.00 0.00 N ATOM 1097 CA GLU A 69 89.186 -9.439 11.247 1.00 0.00 C ATOM 1098 C GLU A 69 88.349 -8.450 10.430 1.00 0.00 C ATOM 1099 O GLU A 69 87.836 -7.479 10.949 1.00 0.00 O ATOM 1100 CB GLU A 69 88.327 -10.650 11.628 1.00 0.00 C ATOM 1101 CG GLU A 69 88.182 -11.579 10.422 1.00 0.00 C ATOM 1102 CD GLU A 69 89.529 -12.242 10.120 1.00 0.00 C ATOM 1103 OE1 GLU A 69 90.261 -12.510 11.058 1.00 0.00 O ATOM 1104 OE2 GLU A 69 89.805 -12.468 8.954 1.00 0.00 O ATOM 0 H GLU A 69 88.959 -8.348 13.076 1.00 0.00 H new ATOM 0 HA GLU A 69 90.035 -9.775 10.651 1.00 0.00 H new ATOM 0 HB2 GLU A 69 88.785 -11.186 12.459 1.00 0.00 H new ATOM 0 HB3 GLU A 69 87.344 -10.320 11.965 1.00 0.00 H new ATOM 0 HG2 GLU A 69 87.428 -12.340 10.625 1.00 0.00 H new ATOM 0 HG3 GLU A 69 87.840 -11.015 9.554 1.00 0.00 H new ATOM 1111 N VAL A 70 88.226 -8.687 9.149 1.00 0.00 N ATOM 1112 CA VAL A 70 87.440 -7.769 8.266 1.00 0.00 C ATOM 1113 C VAL A 70 86.332 -8.539 7.559 1.00 0.00 C ATOM 1114 O VAL A 70 86.577 -9.329 6.670 1.00 0.00 O ATOM 1115 CB VAL A 70 88.384 -7.200 7.203 1.00 0.00 C ATOM 1116 CG1 VAL A 70 87.824 -5.907 6.628 1.00 0.00 C ATOM 1117 CG2 VAL A 70 89.743 -6.925 7.822 1.00 0.00 C ATOM 0 H VAL A 70 88.641 -9.487 8.671 1.00 0.00 H new ATOM 0 HA VAL A 70 87.000 -6.975 8.870 1.00 0.00 H new ATOM 0 HB VAL A 70 88.483 -7.931 6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 70 88.508 -5.517 5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 70 86.854 -6.102 6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 70 87.708 -5.174 7.426 1.00 0.00 H new ATOM 0 HG21 VAL A 70 90.413 -6.520 7.064 1.00 0.00 H new ATOM 0 HG22 VAL A 70 89.635 -6.204 8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 70 90.158 -7.853 8.215 1.00 0.00 H new ATOM 1127 N ASP A 71 85.114 -8.264 7.899 1.00 0.00 N ATOM 1128 CA ASP A 71 83.996 -8.926 7.187 1.00 0.00 C ATOM 1129 C ASP A 71 83.832 -8.160 5.886 1.00 0.00 C ATOM 1130 O ASP A 71 84.400 -7.097 5.727 1.00 0.00 O ATOM 1131 CB ASP A 71 82.704 -8.827 8.009 1.00 0.00 C ATOM 1132 CG ASP A 71 82.805 -9.722 9.246 1.00 0.00 C ATOM 1133 OD1 ASP A 71 83.642 -10.610 9.242 1.00 0.00 O ATOM 1134 OD2 ASP A 71 82.045 -9.505 10.175 1.00 0.00 O ATOM 0 H ASP A 71 84.842 -7.613 8.635 1.00 0.00 H new ATOM 0 HA ASP A 71 84.199 -9.984 7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 71 82.532 -7.794 8.310 1.00 0.00 H new ATOM 0 HB3 ASP A 71 81.851 -9.128 7.400 1.00 0.00 H new ATOM 1139 N PHE A 72 83.078 -8.645 4.949 1.00 0.00 N ATOM 1140 CA PHE A 72 82.934 -7.873 3.699 1.00 0.00 C ATOM 1141 C PHE A 72 82.437 -6.480 4.078 1.00 0.00 C ATOM 1142 O PHE A 72 82.840 -5.482 3.516 1.00 0.00 O ATOM 1143 CB PHE A 72 81.916 -8.545 2.784 1.00 0.00 C ATOM 1144 CG PHE A 72 81.960 -7.857 1.450 1.00 0.00 C ATOM 1145 CD1 PHE A 72 81.217 -6.693 1.237 1.00 0.00 C ATOM 1146 CD2 PHE A 72 82.761 -8.375 0.432 1.00 0.00 C ATOM 1147 CE1 PHE A 72 81.275 -6.046 0.001 1.00 0.00 C ATOM 1148 CE2 PHE A 72 82.820 -7.731 -0.805 1.00 0.00 C ATOM 1149 CZ PHE A 72 82.077 -6.566 -1.022 1.00 0.00 C ATOM 0 H PHE A 72 82.565 -9.525 4.993 1.00 0.00 H new ATOM 0 HA PHE A 72 83.887 -7.818 3.172 1.00 0.00 H new ATOM 0 HB2 PHE A 72 82.146 -9.605 2.673 1.00 0.00 H new ATOM 0 HB3 PHE A 72 80.916 -8.479 3.213 1.00 0.00 H new ATOM 0 HD1 PHE A 72 80.599 -6.294 2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 72 83.335 -9.274 0.601 1.00 0.00 H new ATOM 0 HE1 PHE A 72 80.702 -5.146 -0.166 1.00 0.00 H new ATOM 0 HE2 PHE A 72 83.439 -8.132 -1.594 1.00 0.00 H new ATOM 0 HZ PHE A 72 82.122 -6.067 -1.979 1.00 0.00 H new ATOM 1159 N GLN A 73 81.560 -6.422 5.039 1.00 0.00 N ATOM 1160 CA GLN A 73 81.009 -5.122 5.494 1.00 0.00 C ATOM 1161 C GLN A 73 82.088 -4.290 6.208 1.00 0.00 C ATOM 1162 O GLN A 73 82.150 -3.092 6.037 1.00 0.00 O ATOM 1163 CB GLN A 73 79.849 -5.392 6.454 1.00 0.00 C ATOM 1164 CG GLN A 73 79.190 -4.072 6.860 1.00 0.00 C ATOM 1165 CD GLN A 73 78.010 -4.355 7.792 1.00 0.00 C ATOM 1166 OE1 GLN A 73 77.491 -5.454 7.819 1.00 0.00 O ATOM 1167 NE2 GLN A 73 77.565 -3.404 8.567 1.00 0.00 N ATOM 0 H GLN A 73 81.197 -7.236 5.535 1.00 0.00 H new ATOM 0 HA GLN A 73 80.662 -4.558 4.628 1.00 0.00 H new ATOM 0 HB2 GLN A 73 79.116 -6.043 5.978 1.00 0.00 H new ATOM 0 HB3 GLN A 73 80.212 -5.914 7.339 1.00 0.00 H new ATOM 0 HG2 GLN A 73 79.915 -3.430 7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 73 78.847 -3.537 5.974 1.00 0.00 H new ATOM 0 HE21 GLN A 73 78.000 -2.482 8.544 1.00 0.00 H new ATOM 0 HE22 GLN A 73 76.782 -3.583 9.195 1.00 0.00 H new ATOM 1176 N GLU A 74 82.936 -4.891 7.017 1.00 0.00 N ATOM 1177 CA GLU A 74 83.963 -4.082 7.719 1.00 0.00 C ATOM 1178 C GLU A 74 84.934 -3.495 6.707 1.00 0.00 C ATOM 1179 O GLU A 74 85.352 -2.364 6.827 1.00 0.00 O ATOM 1180 CB GLU A 74 84.712 -4.961 8.721 1.00 0.00 C ATOM 1181 CG GLU A 74 83.779 -5.345 9.876 1.00 0.00 C ATOM 1182 CD GLU A 74 83.428 -4.104 10.698 1.00 0.00 C ATOM 1183 OE1 GLU A 74 84.342 -3.472 11.201 1.00 0.00 O ATOM 1184 OE2 GLU A 74 82.250 -3.808 10.811 1.00 0.00 O ATOM 0 H GLU A 74 82.954 -5.892 7.213 1.00 0.00 H new ATOM 0 HA GLU A 74 83.478 -3.267 8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 74 85.081 -5.859 8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 74 85.582 -4.429 9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 74 82.870 -5.801 9.484 1.00 0.00 H new ATOM 0 HG3 GLU A 74 84.260 -6.088 10.512 1.00 0.00 H new ATOM 1191 N TYR A 75 85.300 -4.239 5.705 1.00 0.00 N ATOM 1192 CA TYR A 75 86.245 -3.676 4.710 1.00 0.00 C ATOM 1193 C TYR A 75 85.608 -2.436 4.085 1.00 0.00 C ATOM 1194 O TYR A 75 86.252 -1.435 3.848 1.00 0.00 O ATOM 1195 CB TYR A 75 86.525 -4.696 3.606 1.00 0.00 C ATOM 1196 CG TYR A 75 87.488 -4.088 2.614 1.00 0.00 C ATOM 1197 CD1 TYR A 75 88.865 -4.085 2.882 1.00 0.00 C ATOM 1198 CD2 TYR A 75 87.004 -3.531 1.425 1.00 0.00 C ATOM 1199 CE1 TYR A 75 89.752 -3.522 1.959 1.00 0.00 C ATOM 1200 CE2 TYR A 75 87.892 -2.968 0.504 1.00 0.00 C ATOM 1201 CZ TYR A 75 89.266 -2.963 0.770 1.00 0.00 C ATOM 1202 OH TYR A 75 90.140 -2.408 -0.141 1.00 0.00 O ATOM 0 H TYR A 75 84.992 -5.196 5.534 1.00 0.00 H new ATOM 0 HA TYR A 75 87.182 -3.423 5.205 1.00 0.00 H new ATOM 0 HB2 TYR A 75 86.947 -5.607 4.032 1.00 0.00 H new ATOM 0 HB3 TYR A 75 85.597 -4.977 3.108 1.00 0.00 H new ATOM 0 HD1 TYR A 75 89.239 -4.516 3.799 1.00 0.00 H new ATOM 0 HD2 TYR A 75 85.944 -3.536 1.219 1.00 0.00 H new ATOM 0 HE1 TYR A 75 90.813 -3.518 2.163 1.00 0.00 H new ATOM 0 HE2 TYR A 75 87.518 -2.537 -0.413 1.00 0.00 H new ATOM 0 HH TYR A 75 90.026 -1.435 -0.153 1.00 0.00 H new ATOM 1212 N CYS A 76 84.336 -2.501 3.822 1.00 0.00 N ATOM 1213 CA CYS A 76 83.637 -1.342 3.223 1.00 0.00 C ATOM 1214 C CYS A 76 83.537 -0.230 4.262 1.00 0.00 C ATOM 1215 O CYS A 76 83.722 0.930 3.955 1.00 0.00 O ATOM 1216 CB CYS A 76 82.234 -1.766 2.792 1.00 0.00 C ATOM 1217 SG CYS A 76 82.328 -3.326 1.875 1.00 0.00 S ATOM 0 H CYS A 76 83.748 -3.316 3.999 1.00 0.00 H new ATOM 0 HA CYS A 76 84.190 -0.984 2.355 1.00 0.00 H new ATOM 0 HB2 CYS A 76 81.594 -1.884 3.666 1.00 0.00 H new ATOM 0 HB3 CYS A 76 81.784 -0.993 2.169 1.00 0.00 H new ATOM 0 HG CYS A 76 82.317 -4.322 2.711 1.00 0.00 H new ATOM 1223 N VAL A 77 83.267 -0.564 5.498 1.00 0.00 N ATOM 1224 CA VAL A 77 83.189 0.505 6.523 1.00 0.00 C ATOM 1225 C VAL A 77 84.547 1.195 6.568 1.00 0.00 C ATOM 1226 O VAL A 77 84.643 2.405 6.625 1.00 0.00 O ATOM 1227 CB VAL A 77 82.858 -0.111 7.885 1.00 0.00 C ATOM 1228 CG1 VAL A 77 83.023 0.941 8.984 1.00 0.00 C ATOM 1229 CG2 VAL A 77 81.408 -0.602 7.876 1.00 0.00 C ATOM 0 H VAL A 77 83.101 -1.513 5.832 1.00 0.00 H new ATOM 0 HA VAL A 77 82.408 1.225 6.278 1.00 0.00 H new ATOM 0 HB VAL A 77 83.533 -0.945 8.077 1.00 0.00 H new ATOM 0 HG11 VAL A 77 82.786 0.497 9.951 1.00 0.00 H new ATOM 0 HG12 VAL A 77 84.052 1.301 8.992 1.00 0.00 H new ATOM 0 HG13 VAL A 77 82.349 1.776 8.793 1.00 0.00 H new ATOM 0 HG21 VAL A 77 81.167 -1.042 8.844 1.00 0.00 H new ATOM 0 HG22 VAL A 77 80.741 0.238 7.683 1.00 0.00 H new ATOM 0 HG23 VAL A 77 81.283 -1.352 7.095 1.00 0.00 H new ATOM 1239 N PHE A 78 85.604 0.431 6.516 1.00 0.00 N ATOM 1240 CA PHE A 78 86.955 1.045 6.525 1.00 0.00 C ATOM 1241 C PHE A 78 87.190 1.759 5.191 1.00 0.00 C ATOM 1242 O PHE A 78 87.740 2.842 5.151 1.00 0.00 O ATOM 1243 CB PHE A 78 88.014 -0.043 6.756 1.00 0.00 C ATOM 1244 CG PHE A 78 88.160 -0.285 8.247 1.00 0.00 C ATOM 1245 CD1 PHE A 78 87.065 -0.748 8.988 1.00 0.00 C ATOM 1246 CD2 PHE A 78 89.379 -0.030 8.889 1.00 0.00 C ATOM 1247 CE1 PHE A 78 87.189 -0.958 10.366 1.00 0.00 C ATOM 1248 CE2 PHE A 78 89.501 -0.237 10.267 1.00 0.00 C ATOM 1249 CZ PHE A 78 88.407 -0.703 11.005 1.00 0.00 C ATOM 0 H PHE A 78 85.587 -0.588 6.468 1.00 0.00 H new ATOM 0 HA PHE A 78 87.030 1.773 7.332 1.00 0.00 H new ATOM 0 HB2 PHE A 78 87.722 -0.965 6.252 1.00 0.00 H new ATOM 0 HB3 PHE A 78 88.969 0.265 6.330 1.00 0.00 H new ATOM 0 HD1 PHE A 78 86.124 -0.943 8.495 1.00 0.00 H new ATOM 0 HD2 PHE A 78 90.225 0.327 8.320 1.00 0.00 H new ATOM 0 HE1 PHE A 78 86.345 -1.317 10.936 1.00 0.00 H new ATOM 0 HE2 PHE A 78 90.440 -0.037 10.762 1.00 0.00 H new ATOM 0 HZ PHE A 78 88.503 -0.866 12.068 1.00 0.00 H new ATOM 1259 N LEU A 79 86.766 1.181 4.094 1.00 0.00 N ATOM 1260 CA LEU A 79 86.971 1.875 2.790 1.00 0.00 C ATOM 1261 C LEU A 79 86.100 3.129 2.788 1.00 0.00 C ATOM 1262 O LEU A 79 86.477 4.168 2.281 1.00 0.00 O ATOM 1263 CB LEU A 79 86.576 0.948 1.637 1.00 0.00 C ATOM 1264 CG LEU A 79 86.914 1.597 0.284 1.00 0.00 C ATOM 1265 CD1 LEU A 79 88.442 1.799 0.154 1.00 0.00 C ATOM 1266 CD2 LEU A 79 86.410 0.687 -0.853 1.00 0.00 C ATOM 0 H LEU A 79 86.296 0.277 4.046 1.00 0.00 H new ATOM 0 HA LEU A 79 88.019 2.146 2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 79 87.100 -0.003 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 79 85.509 0.731 1.686 1.00 0.00 H new ATOM 0 HG LEU A 79 86.427 2.570 0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 79 88.668 2.259 -0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 79 88.793 2.447 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 79 88.944 0.834 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 79 86.647 1.142 -1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 79 86.896 -0.286 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 79 85.331 0.561 -0.767 1.00 0.00 H new ATOM 1278 N SER A 80 84.943 3.034 3.379 1.00 0.00 N ATOM 1279 CA SER A 80 84.027 4.203 3.457 1.00 0.00 C ATOM 1280 C SER A 80 84.655 5.234 4.381 1.00 0.00 C ATOM 1281 O SER A 80 84.633 6.422 4.124 1.00 0.00 O ATOM 1282 CB SER A 80 82.674 3.758 4.016 1.00 0.00 C ATOM 1283 OG SER A 80 82.039 2.896 3.081 1.00 0.00 O ATOM 0 H SER A 80 84.589 2.184 3.817 1.00 0.00 H new ATOM 0 HA SER A 80 83.871 4.632 2.467 1.00 0.00 H new ATOM 0 HB2 SER A 80 82.812 3.243 4.967 1.00 0.00 H new ATOM 0 HB3 SER A 80 82.045 4.627 4.212 1.00 0.00 H new ATOM 0 HG SER A 80 82.433 2.001 3.142 1.00 0.00 H new ATOM 1289 N CYS A 81 85.248 4.776 5.449 1.00 0.00 N ATOM 1290 CA CYS A 81 85.913 5.710 6.382 1.00 0.00 C ATOM 1291 C CYS A 81 86.993 6.433 5.600 1.00 0.00 C ATOM 1292 O CYS A 81 87.234 7.608 5.789 1.00 0.00 O ATOM 1293 CB CYS A 81 86.557 4.934 7.532 1.00 0.00 C ATOM 1294 SG CYS A 81 85.268 4.306 8.636 1.00 0.00 S ATOM 0 H CYS A 81 85.297 3.791 5.711 1.00 0.00 H new ATOM 0 HA CYS A 81 85.190 6.411 6.800 1.00 0.00 H new ATOM 0 HB2 CYS A 81 87.149 4.107 7.140 1.00 0.00 H new ATOM 0 HB3 CYS A 81 87.239 5.581 8.084 1.00 0.00 H new ATOM 0 HG CYS A 81 84.622 3.345 8.046 1.00 0.00 H new ATOM 1300 N ILE A 82 87.646 5.738 4.704 1.00 0.00 N ATOM 1301 CA ILE A 82 88.704 6.417 3.907 1.00 0.00 C ATOM 1302 C ILE A 82 88.033 7.418 2.967 1.00 0.00 C ATOM 1303 O ILE A 82 88.501 8.523 2.777 1.00 0.00 O ATOM 1304 CB ILE A 82 89.509 5.391 3.105 1.00 0.00 C ATOM 1305 CG1 ILE A 82 90.332 4.531 4.071 1.00 0.00 C ATOM 1306 CG2 ILE A 82 90.455 6.123 2.144 1.00 0.00 C ATOM 1307 CD1 ILE A 82 90.962 3.351 3.322 1.00 0.00 C ATOM 0 H ILE A 82 87.496 4.751 4.494 1.00 0.00 H new ATOM 0 HA ILE A 82 89.393 6.937 4.573 1.00 0.00 H new ATOM 0 HB ILE A 82 88.830 4.757 2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 82 91.112 5.136 4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 82 89.695 4.163 4.875 1.00 0.00 H new ATOM 0 HG21 ILE A 82 91.029 5.394 1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 82 89.873 6.742 1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 82 91.136 6.754 2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 82 91.544 2.747 4.018 1.00 0.00 H new ATOM 0 HD12 ILE A 82 90.176 2.739 2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 82 91.615 3.727 2.534 1.00 0.00 H new ATOM 1319 N ALA A 83 86.921 7.049 2.394 1.00 0.00 N ATOM 1320 CA ALA A 83 86.211 7.993 1.488 1.00 0.00 C ATOM 1321 C ALA A 83 85.806 9.235 2.276 1.00 0.00 C ATOM 1322 O ALA A 83 86.054 10.345 1.872 1.00 0.00 O ATOM 1323 CB ALA A 83 84.950 7.338 0.954 1.00 0.00 C ATOM 0 H ALA A 83 86.475 6.139 2.513 1.00 0.00 H new ATOM 0 HA ALA A 83 86.871 8.261 0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 83 84.432 8.031 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 83 85.214 6.437 0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 83 84.296 7.075 1.786 1.00 0.00 H new ATOM 1329 N MET A 84 85.183 9.052 3.406 1.00 0.00 N ATOM 1330 CA MET A 84 84.770 10.231 4.216 1.00 0.00 C ATOM 1331 C MET A 84 86.019 10.942 4.712 1.00 0.00 C ATOM 1332 O MET A 84 86.039 12.147 4.870 1.00 0.00 O ATOM 1333 CB MET A 84 83.915 9.783 5.394 1.00 0.00 C ATOM 1334 CG MET A 84 82.559 9.295 4.877 1.00 0.00 C ATOM 1335 SD MET A 84 81.527 8.769 6.267 1.00 0.00 S ATOM 1336 CE MET A 84 82.565 7.395 6.816 1.00 0.00 C ATOM 0 H MET A 84 84.943 8.143 3.802 1.00 0.00 H new ATOM 0 HA MET A 84 84.178 10.912 3.604 1.00 0.00 H new ATOM 0 HB2 MET A 84 84.418 8.985 5.940 1.00 0.00 H new ATOM 0 HB3 MET A 84 83.776 10.609 6.092 1.00 0.00 H new ATOM 0 HG2 MET A 84 82.062 10.092 4.324 1.00 0.00 H new ATOM 0 HG3 MET A 84 82.701 8.466 4.183 1.00 0.00 H new ATOM 0 HE1 MET A 84 81.956 6.676 7.364 1.00 0.00 H new ATOM 0 HE2 MET A 84 83.011 6.907 5.949 1.00 0.00 H new ATOM 0 HE3 MET A 84 83.354 7.772 7.466 1.00 0.00 H new ATOM 1346 N MET A 85 87.071 10.210 4.933 1.00 0.00 N ATOM 1347 CA MET A 85 88.326 10.851 5.383 1.00 0.00 C ATOM 1348 C MET A 85 88.723 11.842 4.295 1.00 0.00 C ATOM 1349 O MET A 85 89.236 12.910 4.565 1.00 0.00 O ATOM 1350 CB MET A 85 89.423 9.798 5.557 1.00 0.00 C ATOM 1351 CG MET A 85 90.662 10.443 6.181 1.00 0.00 C ATOM 1352 SD MET A 85 90.317 10.871 7.907 1.00 0.00 S ATOM 1353 CE MET A 85 90.147 9.186 8.554 1.00 0.00 C ATOM 0 H MET A 85 87.113 9.197 4.821 1.00 0.00 H new ATOM 0 HA MET A 85 88.189 11.351 6.342 1.00 0.00 H new ATOM 0 HB2 MET A 85 89.065 8.987 6.191 1.00 0.00 H new ATOM 0 HB3 MET A 85 89.676 9.360 4.592 1.00 0.00 H new ATOM 0 HG2 MET A 85 91.508 9.758 6.127 1.00 0.00 H new ATOM 0 HG3 MET A 85 90.940 11.337 5.622 1.00 0.00 H new ATOM 0 HE1 MET A 85 90.679 9.105 9.502 1.00 0.00 H new ATOM 0 HE2 MET A 85 89.092 8.961 8.710 1.00 0.00 H new ATOM 0 HE3 MET A 85 90.567 8.478 7.840 1.00 0.00 H new ATOM 1363 N CYS A 86 88.467 11.500 3.056 1.00 0.00 N ATOM 1364 CA CYS A 86 88.809 12.439 1.949 1.00 0.00 C ATOM 1365 C CYS A 86 88.157 11.968 0.649 1.00 0.00 C ATOM 1366 O CYS A 86 88.812 11.484 -0.250 1.00 0.00 O ATOM 1367 CB CYS A 86 90.330 12.517 1.769 1.00 0.00 C ATOM 1368 SG CYS A 86 90.979 10.873 1.386 1.00 0.00 S ATOM 0 H CYS A 86 88.040 10.620 2.767 1.00 0.00 H new ATOM 0 HA CYS A 86 88.433 13.431 2.201 1.00 0.00 H new ATOM 0 HB2 CYS A 86 90.576 13.213 0.967 1.00 0.00 H new ATOM 0 HB3 CYS A 86 90.795 12.900 2.677 1.00 0.00 H new ATOM 0 HG CYS A 86 90.321 10.369 0.385 1.00 0.00 H new ATOM 1374 N ASN A 87 86.866 12.103 0.554 1.00 0.00 N ATOM 1375 CA ASN A 87 86.150 11.664 -0.675 1.00 0.00 C ATOM 1376 C ASN A 87 86.478 12.603 -1.842 1.00 0.00 C ATOM 1377 O ASN A 87 86.648 12.171 -2.965 1.00 0.00 O ATOM 1378 CB ASN A 87 84.642 11.660 -0.409 1.00 0.00 C ATOM 1379 CG ASN A 87 84.216 12.997 0.197 1.00 0.00 C ATOM 1380 OD1 ASN A 87 85.043 13.826 0.521 1.00 0.00 O ATOM 1381 ND2 ASN A 87 82.945 13.243 0.365 1.00 0.00 N ATOM 0 H ASN A 87 86.271 12.502 1.280 1.00 0.00 H new ATOM 0 HA ASN A 87 86.473 10.657 -0.940 1.00 0.00 H new ATOM 0 HB2 ASN A 87 84.101 11.483 -1.338 1.00 0.00 H new ATOM 0 HB3 ASN A 87 84.386 10.846 0.269 1.00 0.00 H new ATOM 0 HD21 ASN A 87 82.646 14.131 0.768 1.00 0.00 H new ATOM 0 HD22 ASN A 87 82.251 12.547 0.093 1.00 0.00 H new ATOM 1388 N GLU A 88 86.558 13.884 -1.594 1.00 0.00 N ATOM 1389 CA GLU A 88 86.863 14.840 -2.700 1.00 0.00 C ATOM 1390 C GLU A 88 87.568 16.081 -2.134 1.00 0.00 C ATOM 1391 O GLU A 88 88.630 15.990 -1.550 1.00 0.00 O ATOM 1392 CB GLU A 88 85.556 15.247 -3.395 1.00 0.00 C ATOM 1393 CG GLU A 88 84.497 15.599 -2.345 1.00 0.00 C ATOM 1394 CD GLU A 88 83.200 16.009 -3.044 1.00 0.00 C ATOM 1395 OE1 GLU A 88 83.262 16.347 -4.213 1.00 0.00 O ATOM 1396 OE2 GLU A 88 82.166 15.980 -2.395 1.00 0.00 O ATOM 0 H GLU A 88 86.426 14.309 -0.676 1.00 0.00 H new ATOM 0 HA GLU A 88 87.522 14.362 -3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 88 85.732 16.102 -4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 88 85.200 14.432 -4.025 1.00 0.00 H new ATOM 0 HG2 GLU A 88 84.317 14.743 -1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 88 84.854 16.411 -1.712 1.00 0.00 H new ATOM 1403 N PHE A 89 86.992 17.239 -2.313 1.00 0.00 N ATOM 1404 CA PHE A 89 87.633 18.483 -1.796 1.00 0.00 C ATOM 1405 C PHE A 89 87.789 18.406 -0.275 1.00 0.00 C ATOM 1406 O PHE A 89 86.916 17.939 0.429 1.00 0.00 O ATOM 1407 CB PHE A 89 86.763 19.691 -2.155 1.00 0.00 C ATOM 1408 CG PHE A 89 86.822 19.933 -3.644 1.00 0.00 C ATOM 1409 CD1 PHE A 89 87.810 20.769 -4.176 1.00 0.00 C ATOM 1410 CD2 PHE A 89 85.889 19.323 -4.492 1.00 0.00 C ATOM 1411 CE1 PHE A 89 87.867 20.995 -5.556 1.00 0.00 C ATOM 1412 CE2 PHE A 89 85.943 19.551 -5.872 1.00 0.00 C ATOM 1413 CZ PHE A 89 86.933 20.387 -6.405 1.00 0.00 C ATOM 0 H PHE A 89 86.104 17.378 -2.795 1.00 0.00 H new ATOM 0 HA PHE A 89 88.618 18.588 -2.250 1.00 0.00 H new ATOM 0 HB2 PHE A 89 85.733 19.515 -1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 89 87.110 20.574 -1.619 1.00 0.00 H new ATOM 0 HD1 PHE A 89 88.529 21.240 -3.522 1.00 0.00 H new ATOM 0 HD2 PHE A 89 85.128 18.677 -4.081 1.00 0.00 H new ATOM 0 HE1 PHE A 89 88.631 21.638 -5.967 1.00 0.00 H new ATOM 0 HE2 PHE A 89 85.222 19.083 -6.526 1.00 0.00 H new ATOM 0 HZ PHE A 89 86.976 20.563 -7.470 1.00 0.00 H new ATOM 1423 N PHE A 90 88.900 18.874 0.234 1.00 0.00 N ATOM 1424 CA PHE A 90 89.131 18.846 1.709 1.00 0.00 C ATOM 1425 C PHE A 90 88.631 20.151 2.334 1.00 0.00 C ATOM 1426 O PHE A 90 88.727 20.355 3.531 1.00 0.00 O ATOM 1427 CB PHE A 90 90.627 18.704 1.987 1.00 0.00 C ATOM 1428 CG PHE A 90 91.371 19.830 1.309 1.00 0.00 C ATOM 1429 CD1 PHE A 90 91.562 21.043 1.979 1.00 0.00 C ATOM 1430 CD2 PHE A 90 91.860 19.663 0.008 1.00 0.00 C ATOM 1431 CE1 PHE A 90 92.242 22.090 1.351 1.00 0.00 C ATOM 1432 CE2 PHE A 90 92.541 20.711 -0.621 1.00 0.00 C ATOM 1433 CZ PHE A 90 92.732 21.924 0.050 1.00 0.00 C ATOM 0 H PHE A 90 89.661 19.277 -0.313 1.00 0.00 H new ATOM 0 HA PHE A 90 88.592 18.002 2.140 1.00 0.00 H new ATOM 0 HB2 PHE A 90 90.812 18.725 3.061 1.00 0.00 H new ATOM 0 HB3 PHE A 90 90.987 17.743 1.620 1.00 0.00 H new ATOM 0 HD1 PHE A 90 91.184 21.170 2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 90 91.712 18.727 -0.509 1.00 0.00 H new ATOM 0 HE1 PHE A 90 92.389 23.026 1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 90 92.919 20.584 -1.625 1.00 0.00 H new ATOM 0 HZ PHE A 90 93.258 22.733 -0.436 1.00 0.00 H new ATOM 1443 N GLU A 91 88.108 21.043 1.538 1.00 0.00 N ATOM 1444 CA GLU A 91 87.614 22.337 2.092 1.00 0.00 C ATOM 1445 C GLU A 91 86.513 22.071 3.122 1.00 0.00 C ATOM 1446 O GLU A 91 86.384 22.779 4.101 1.00 0.00 O ATOM 1447 CB GLU A 91 87.060 23.202 0.955 1.00 0.00 C ATOM 1448 CG GLU A 91 85.773 22.571 0.390 1.00 0.00 C ATOM 1449 CD GLU A 91 84.565 23.011 1.223 1.00 0.00 C ATOM 1450 OE1 GLU A 91 84.342 24.206 1.323 1.00 0.00 O ATOM 1451 OE2 GLU A 91 83.882 22.143 1.743 1.00 0.00 O ATOM 0 H GLU A 91 88.001 20.933 0.530 1.00 0.00 H new ATOM 0 HA GLU A 91 88.438 22.861 2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 91 86.851 24.207 1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 91 87.805 23.298 0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 91 85.637 22.870 -0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 91 85.856 21.484 0.400 1.00 0.00 H new ATOM 1458 N GLY A 92 85.722 21.054 2.914 1.00 0.00 N ATOM 1459 CA GLY A 92 84.635 20.745 3.888 1.00 0.00 C ATOM 1460 C GLY A 92 85.241 20.075 5.125 1.00 0.00 C ATOM 1461 O GLY A 92 86.422 19.799 5.177 1.00 0.00 O ATOM 0 H GLY A 92 85.781 20.424 2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 92 84.115 21.660 4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 92 83.896 20.088 3.430 1.00 0.00 H new ATOM 1465 N PHE A 93 84.442 19.807 6.125 1.00 0.00 N ATOM 1466 CA PHE A 93 84.974 19.155 7.359 1.00 0.00 C ATOM 1467 C PHE A 93 84.722 17.634 7.270 1.00 0.00 C ATOM 1468 O PHE A 93 83.580 17.217 7.248 1.00 0.00 O ATOM 1469 CB PHE A 93 84.221 19.698 8.576 1.00 0.00 C ATOM 1470 CG PHE A 93 84.451 21.184 8.693 1.00 0.00 C ATOM 1471 CD1 PHE A 93 83.613 22.076 8.015 1.00 0.00 C ATOM 1472 CD2 PHE A 93 85.499 21.669 9.484 1.00 0.00 C ATOM 1473 CE1 PHE A 93 83.825 23.455 8.125 1.00 0.00 C ATOM 1474 CE2 PHE A 93 85.711 23.049 9.594 1.00 0.00 C ATOM 1475 CZ PHE A 93 84.873 23.942 8.915 1.00 0.00 C ATOM 0 H PHE A 93 83.443 20.012 6.141 1.00 0.00 H new ATOM 0 HA PHE A 93 86.041 19.359 7.453 1.00 0.00 H new ATOM 0 HB2 PHE A 93 83.155 19.492 8.478 1.00 0.00 H new ATOM 0 HB3 PHE A 93 84.562 19.195 9.481 1.00 0.00 H new ATOM 0 HD1 PHE A 93 82.803 21.701 7.407 1.00 0.00 H new ATOM 0 HD2 PHE A 93 86.144 20.980 10.009 1.00 0.00 H new ATOM 0 HE1 PHE A 93 83.180 24.144 7.600 1.00 0.00 H new ATOM 0 HE2 PHE A 93 86.521 23.424 10.202 1.00 0.00 H new ATOM 0 HZ PHE A 93 85.035 25.006 9.001 1.00 0.00 H new ATOM 1485 N PRO A 94 85.744 16.792 7.220 1.00 0.00 N ATOM 1486 CA PRO A 94 85.493 15.326 7.138 1.00 0.00 C ATOM 1487 C PRO A 94 84.628 14.832 8.307 1.00 0.00 C ATOM 1488 O PRO A 94 85.091 14.710 9.423 1.00 0.00 O ATOM 1489 CB PRO A 94 86.914 14.725 7.187 1.00 0.00 C ATOM 1490 CG PRO A 94 87.935 15.877 7.099 1.00 0.00 C ATOM 1491 CD PRO A 94 87.179 17.212 7.237 1.00 0.00 C ATOM 0 HA PRO A 94 84.939 15.038 6.245 1.00 0.00 H new ATOM 0 HB2 PRO A 94 87.056 14.163 8.110 1.00 0.00 H new ATOM 0 HB3 PRO A 94 87.059 14.027 6.363 1.00 0.00 H new ATOM 0 HG2 PRO A 94 88.682 15.782 7.887 1.00 0.00 H new ATOM 0 HG3 PRO A 94 88.467 15.840 6.149 1.00 0.00 H new ATOM 0 HD2 PRO A 94 87.437 17.728 8.162 1.00 0.00 H new ATOM 0 HD3 PRO A 94 87.410 17.893 6.417 1.00 0.00 H new ATOM 1499 N ASP A 95 83.374 14.552 8.057 1.00 0.00 N ATOM 1500 CA ASP A 95 82.478 14.069 9.151 1.00 0.00 C ATOM 1501 C ASP A 95 82.483 12.538 9.173 1.00 0.00 C ATOM 1502 O ASP A 95 82.110 11.890 8.217 1.00 0.00 O ATOM 1503 CB ASP A 95 81.054 14.566 8.894 1.00 0.00 C ATOM 1504 CG ASP A 95 80.995 16.079 9.107 1.00 0.00 C ATOM 1505 OD1 ASP A 95 81.871 16.598 9.779 1.00 0.00 O ATOM 1506 OD2 ASP A 95 80.076 16.694 8.590 1.00 0.00 O ATOM 0 H ASP A 95 82.932 14.637 7.142 1.00 0.00 H new ATOM 0 HA ASP A 95 82.833 14.449 10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 95 80.749 14.319 7.877 1.00 0.00 H new ATOM 0 HB3 ASP A 95 80.356 14.066 9.566 1.00 0.00 H new ATOM 1511 N LYS A 96 82.909 11.957 10.261 1.00 0.00 N ATOM 1512 CA LYS A 96 82.948 10.467 10.361 1.00 0.00 C ATOM 1513 C LYS A 96 81.617 9.955 10.922 1.00 0.00 C ATOM 1514 O LYS A 96 80.763 9.492 10.193 1.00 0.00 O ATOM 1515 CB LYS A 96 84.099 10.066 11.288 1.00 0.00 C ATOM 1516 CG LYS A 96 84.239 8.542 11.329 1.00 0.00 C ATOM 1517 CD LYS A 96 85.395 8.174 12.263 1.00 0.00 C ATOM 1518 CE LYS A 96 85.585 6.655 12.284 1.00 0.00 C ATOM 1519 NZ LYS A 96 86.715 6.312 13.192 1.00 0.00 N ATOM 0 H LYS A 96 83.234 12.452 11.091 1.00 0.00 H new ATOM 0 HA LYS A 96 83.104 10.029 9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 96 85.029 10.515 10.940 1.00 0.00 H new ATOM 0 HB3 LYS A 96 83.917 10.449 12.292 1.00 0.00 H new ATOM 0 HG2 LYS A 96 83.312 8.088 11.680 1.00 0.00 H new ATOM 0 HG3 LYS A 96 84.425 8.154 10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 96 86.312 8.659 11.929 1.00 0.00 H new ATOM 0 HD3 LYS A 96 85.190 8.538 13.270 1.00 0.00 H new ATOM 0 HE2 LYS A 96 84.671 6.167 12.622 1.00 0.00 H new ATOM 0 HE3 LYS A 96 85.788 6.289 11.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 86.846 5.280 13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 87.586 6.767 12.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 86.503 6.649 14.153 1.00 0.00 H new ATOM 1653 N ALA B 2 99.841 -0.646 -9.444 1.00 0.00 N ATOM 1654 CA ALA B 2 98.413 -0.615 -9.886 1.00 0.00 C ATOM 1655 C ALA B 2 97.512 -0.301 -8.691 1.00 0.00 C ATOM 1656 O ALA B 2 97.603 -0.925 -7.651 1.00 0.00 O ATOM 1657 CB ALA B 2 98.035 -1.982 -10.463 1.00 0.00 C ATOM 0 HA ALA B 2 98.284 0.155 -10.647 1.00 0.00 H new ATOM 0 HB1 ALA B 2 96.994 -1.965 -10.787 1.00 0.00 H new ATOM 0 HB2 ALA B 2 98.677 -2.207 -11.315 1.00 0.00 H new ATOM 0 HB3 ALA B 2 98.165 -2.748 -9.698 1.00 0.00 H new ATOM 1663 N CYS B 3 96.640 0.664 -8.839 1.00 0.00 N ATOM 1664 CA CYS B 3 95.715 1.040 -7.725 1.00 0.00 C ATOM 1665 C CYS B 3 94.287 1.164 -8.274 1.00 0.00 C ATOM 1666 O CYS B 3 93.786 2.257 -8.453 1.00 0.00 O ATOM 1667 CB CYS B 3 96.150 2.387 -7.151 1.00 0.00 C ATOM 1668 SG CYS B 3 97.843 2.253 -6.522 1.00 0.00 S ATOM 0 H CYS B 3 96.528 1.213 -9.691 1.00 0.00 H new ATOM 0 HA CYS B 3 95.744 0.278 -6.946 1.00 0.00 H new ATOM 0 HB2 CYS B 3 96.096 3.157 -7.920 1.00 0.00 H new ATOM 0 HB3 CYS B 3 95.475 2.689 -6.350 1.00 0.00 H new ATOM 0 HG CYS B 3 97.821 2.212 -5.223 1.00 0.00 H new ATOM 1674 N PRO B 4 93.631 0.060 -8.551 1.00 0.00 N ATOM 1675 CA PRO B 4 92.247 0.112 -9.095 1.00 0.00 C ATOM 1676 C PRO B 4 91.229 0.577 -8.044 1.00 0.00 C ATOM 1677 O PRO B 4 90.261 1.240 -8.361 1.00 0.00 O ATOM 1678 CB PRO B 4 92.006 -1.344 -9.538 1.00 0.00 C ATOM 1679 CG PRO B 4 93.140 -2.221 -8.962 1.00 0.00 C ATOM 1680 CD PRO B 4 94.210 -1.298 -8.345 1.00 0.00 C ATOM 0 HA PRO B 4 92.129 0.831 -9.905 1.00 0.00 H new ATOM 0 HB2 PRO B 4 91.037 -1.694 -9.181 1.00 0.00 H new ATOM 0 HB3 PRO B 4 91.989 -1.412 -10.626 1.00 0.00 H new ATOM 0 HG2 PRO B 4 92.746 -2.901 -8.207 1.00 0.00 H new ATOM 0 HG3 PRO B 4 93.579 -2.836 -9.748 1.00 0.00 H new ATOM 0 HD2 PRO B 4 94.370 -1.514 -7.289 1.00 0.00 H new ATOM 0 HD3 PRO B 4 95.174 -1.407 -8.842 1.00 0.00 H new ATOM 1688 N LEU B 5 91.447 0.262 -6.799 1.00 0.00 N ATOM 1689 CA LEU B 5 90.496 0.723 -5.752 1.00 0.00 C ATOM 1690 C LEU B 5 90.469 2.248 -5.783 1.00 0.00 C ATOM 1691 O LEU B 5 89.456 2.870 -5.550 1.00 0.00 O ATOM 1692 CB LEU B 5 90.963 0.248 -4.369 1.00 0.00 C ATOM 1693 CG LEU B 5 90.630 -1.241 -4.166 1.00 0.00 C ATOM 1694 CD1 LEU B 5 91.366 -1.754 -2.922 1.00 0.00 C ATOM 1695 CD2 LEU B 5 89.109 -1.434 -3.973 1.00 0.00 C ATOM 0 H LEU B 5 92.236 -0.290 -6.463 1.00 0.00 H new ATOM 0 HA LEU B 5 89.503 0.315 -5.942 1.00 0.00 H new ATOM 0 HB2 LEU B 5 92.037 0.403 -4.269 1.00 0.00 H new ATOM 0 HB3 LEU B 5 90.482 0.843 -3.593 1.00 0.00 H new ATOM 0 HG LEU B 5 90.946 -1.798 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU B 5 91.135 -2.809 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU B 5 92.441 -1.634 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU B 5 91.046 -1.184 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU B 5 88.892 -2.493 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU B 5 88.780 -0.875 -3.097 1.00 0.00 H new ATOM 0 HD23 LEU B 5 88.581 -1.071 -4.855 1.00 0.00 H new ATOM 1707 N GLU B 6 91.589 2.848 -6.074 1.00 0.00 N ATOM 1708 CA GLU B 6 91.662 4.329 -6.123 1.00 0.00 C ATOM 1709 C GLU B 6 90.690 4.861 -7.176 1.00 0.00 C ATOM 1710 O GLU B 6 89.905 5.748 -6.912 1.00 0.00 O ATOM 1711 CB GLU B 6 93.089 4.723 -6.509 1.00 0.00 C ATOM 1712 CG GLU B 6 93.290 6.233 -6.342 1.00 0.00 C ATOM 1713 CD GLU B 6 92.609 6.984 -7.493 1.00 0.00 C ATOM 1714 OE1 GLU B 6 92.357 6.367 -8.516 1.00 0.00 O ATOM 1715 OE2 GLU B 6 92.349 8.165 -7.329 1.00 0.00 O ATOM 0 H GLU B 6 92.465 2.368 -6.282 1.00 0.00 H new ATOM 0 HA GLU B 6 91.397 4.749 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU B 6 93.803 4.184 -5.887 1.00 0.00 H new ATOM 0 HB3 GLU B 6 93.286 4.436 -7.542 1.00 0.00 H new ATOM 0 HG2 GLU B 6 92.876 6.560 -5.388 1.00 0.00 H new ATOM 0 HG3 GLU B 6 94.355 6.467 -6.324 1.00 0.00 H new ATOM 1722 N LYS B 7 90.731 4.325 -8.365 1.00 0.00 N ATOM 1723 CA LYS B 7 89.802 4.803 -9.420 1.00 0.00 C ATOM 1724 C LYS B 7 88.386 4.362 -9.067 1.00 0.00 C ATOM 1725 O LYS B 7 87.453 5.134 -9.111 1.00 0.00 O ATOM 1726 CB LYS B 7 90.204 4.220 -10.778 1.00 0.00 C ATOM 1727 CG LYS B 7 89.238 4.725 -11.852 1.00 0.00 C ATOM 1728 CD LYS B 7 89.727 4.290 -13.237 1.00 0.00 C ATOM 1729 CE LYS B 7 89.758 2.758 -13.327 1.00 0.00 C ATOM 1730 NZ LYS B 7 89.676 2.351 -14.756 1.00 0.00 N ATOM 0 H LYS B 7 91.367 3.579 -8.648 1.00 0.00 H new ATOM 0 HA LYS B 7 89.847 5.890 -9.481 1.00 0.00 H new ATOM 0 HB2 LYS B 7 91.225 4.513 -11.024 1.00 0.00 H new ATOM 0 HB3 LYS B 7 90.185 3.131 -10.739 1.00 0.00 H new ATOM 0 HG2 LYS B 7 88.238 4.331 -11.669 1.00 0.00 H new ATOM 0 HG3 LYS B 7 89.165 5.812 -11.807 1.00 0.00 H new ATOM 0 HD2 LYS B 7 89.070 4.694 -14.007 1.00 0.00 H new ATOM 0 HD3 LYS B 7 90.722 4.693 -13.423 1.00 0.00 H new ATOM 0 HE2 LYS B 7 90.674 2.374 -12.879 1.00 0.00 H new ATOM 0 HE3 LYS B 7 88.926 2.332 -12.767 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 89.697 1.313 -14.823 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 88.790 2.707 -15.168 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 90.484 2.748 -15.277 1.00 0.00 H new ATOM 1744 N ALA B 8 88.217 3.126 -8.689 1.00 0.00 N ATOM 1745 CA ALA B 8 86.862 2.663 -8.316 1.00 0.00 C ATOM 1746 C ALA B 8 86.403 3.520 -7.148 1.00 0.00 C ATOM 1747 O ALA B 8 85.273 3.956 -7.082 1.00 0.00 O ATOM 1748 CB ALA B 8 86.899 1.182 -7.935 1.00 0.00 C ATOM 0 H ALA B 8 88.955 2.425 -8.624 1.00 0.00 H new ATOM 0 HA ALA B 8 86.167 2.762 -9.150 1.00 0.00 H new ATOM 0 HB1 ALA B 8 85.897 0.851 -7.662 1.00 0.00 H new ATOM 0 HB2 ALA B 8 87.256 0.597 -8.783 1.00 0.00 H new ATOM 0 HB3 ALA B 8 87.571 1.041 -7.088 1.00 0.00 H new ATOM 1754 N LEU B 9 87.289 3.807 -6.242 1.00 0.00 N ATOM 1755 CA LEU B 9 86.909 4.684 -5.118 1.00 0.00 C ATOM 1756 C LEU B 9 86.479 6.010 -5.735 1.00 0.00 C ATOM 1757 O LEU B 9 85.510 6.617 -5.327 1.00 0.00 O ATOM 1758 CB LEU B 9 88.102 4.886 -4.178 1.00 0.00 C ATOM 1759 CG LEU B 9 87.705 5.795 -3.011 1.00 0.00 C ATOM 1760 CD1 LEU B 9 86.611 5.117 -2.163 1.00 0.00 C ATOM 1761 CD2 LEU B 9 88.945 6.067 -2.148 1.00 0.00 C ATOM 0 H LEU B 9 88.253 3.473 -6.234 1.00 0.00 H new ATOM 0 HA LEU B 9 86.103 4.249 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU B 9 88.443 3.923 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU B 9 88.935 5.327 -4.725 1.00 0.00 H new ATOM 0 HG LEU B 9 87.312 6.736 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU B 9 86.335 5.770 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU B 9 85.735 4.927 -2.783 1.00 0.00 H new ATOM 0 HD13 LEU B 9 86.988 4.173 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU B 9 88.673 6.714 -1.314 1.00 0.00 H new ATOM 0 HD22 LEU B 9 89.335 5.124 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU B 9 89.709 6.556 -2.752 1.00 0.00 H new ATOM 1773 N ASP B 10 87.186 6.450 -6.748 1.00 0.00 N ATOM 1774 CA ASP B 10 86.796 7.721 -7.414 1.00 0.00 C ATOM 1775 C ASP B 10 85.481 7.496 -8.162 1.00 0.00 C ATOM 1776 O ASP B 10 84.667 8.386 -8.274 1.00 0.00 O ATOM 1777 CB ASP B 10 87.878 8.167 -8.406 1.00 0.00 C ATOM 1778 CG ASP B 10 89.132 8.597 -7.642 1.00 0.00 C ATOM 1779 OD1 ASP B 10 89.015 8.880 -6.462 1.00 0.00 O ATOM 1780 OD2 ASP B 10 90.190 8.630 -8.251 1.00 0.00 O ATOM 0 H ASP B 10 88.007 5.986 -7.136 1.00 0.00 H new ATOM 0 HA ASP B 10 86.678 8.500 -6.661 1.00 0.00 H new ATOM 0 HB2 ASP B 10 88.118 7.352 -9.088 1.00 0.00 H new ATOM 0 HB3 ASP B 10 87.509 8.993 -9.014 1.00 0.00 H new ATOM 1785 N VAL B 11 85.265 6.314 -8.682 1.00 0.00 N ATOM 1786 CA VAL B 11 83.992 6.062 -9.421 1.00 0.00 C ATOM 1787 C VAL B 11 82.813 6.288 -8.466 1.00 0.00 C ATOM 1788 O VAL B 11 81.816 6.880 -8.827 1.00 0.00 O ATOM 1789 CB VAL B 11 83.969 4.616 -9.944 1.00 0.00 C ATOM 1790 CG1 VAL B 11 82.578 4.276 -10.481 1.00 0.00 C ATOM 1791 CG2 VAL B 11 85.006 4.447 -11.066 1.00 0.00 C ATOM 0 H VAL B 11 85.906 5.522 -8.628 1.00 0.00 H new ATOM 0 HA VAL B 11 83.917 6.743 -10.269 1.00 0.00 H new ATOM 0 HB VAL B 11 84.213 3.942 -9.123 1.00 0.00 H new ATOM 0 HG11 VAL B 11 82.571 3.250 -10.849 1.00 0.00 H new ATOM 0 HG12 VAL B 11 81.844 4.380 -9.682 1.00 0.00 H new ATOM 0 HG13 VAL B 11 82.326 4.956 -11.295 1.00 0.00 H new ATOM 0 HG21 VAL B 11 84.983 3.420 -11.431 1.00 0.00 H new ATOM 0 HG22 VAL B 11 84.771 5.128 -11.884 1.00 0.00 H new ATOM 0 HG23 VAL B 11 86.000 4.673 -10.680 1.00 0.00 H new ATOM 1801 N MET B 12 82.922 5.837 -7.242 1.00 0.00 N ATOM 1802 CA MET B 12 81.806 6.051 -6.273 1.00 0.00 C ATOM 1803 C MET B 12 81.597 7.555 -6.093 1.00 0.00 C ATOM 1804 O MET B 12 80.489 8.053 -6.078 1.00 0.00 O ATOM 1805 CB MET B 12 82.173 5.437 -4.917 1.00 0.00 C ATOM 1806 CG MET B 12 80.950 5.452 -3.989 1.00 0.00 C ATOM 1807 SD MET B 12 81.491 5.317 -2.266 1.00 0.00 S ATOM 1808 CE MET B 12 82.623 3.929 -2.491 1.00 0.00 C ATOM 0 H MET B 12 83.729 5.334 -6.874 1.00 0.00 H new ATOM 0 HA MET B 12 80.898 5.581 -6.651 1.00 0.00 H new ATOM 0 HB2 MET B 12 82.524 4.414 -5.054 1.00 0.00 H new ATOM 0 HB3 MET B 12 82.991 5.997 -4.464 1.00 0.00 H new ATOM 0 HG2 MET B 12 80.384 6.373 -4.132 1.00 0.00 H new ATOM 0 HG3 MET B 12 80.283 4.626 -4.237 1.00 0.00 H new ATOM 0 HE1 MET B 12 82.830 3.468 -1.525 1.00 0.00 H new ATOM 0 HE2 MET B 12 82.169 3.193 -3.154 1.00 0.00 H new ATOM 0 HE3 MET B 12 83.554 4.287 -2.930 1.00 0.00 H new ATOM 1818 N VAL B 13 82.668 8.273 -5.928 1.00 0.00 N ATOM 1819 CA VAL B 13 82.574 9.748 -5.725 1.00 0.00 C ATOM 1820 C VAL B 13 82.300 10.468 -7.050 1.00 0.00 C ATOM 1821 O VAL B 13 81.485 11.365 -7.122 1.00 0.00 O ATOM 1822 CB VAL B 13 83.895 10.241 -5.138 1.00 0.00 C ATOM 1823 CG1 VAL B 13 83.835 11.755 -4.922 1.00 0.00 C ATOM 1824 CG2 VAL B 13 84.135 9.541 -3.799 1.00 0.00 C ATOM 0 H VAL B 13 83.617 7.900 -5.925 1.00 0.00 H new ATOM 0 HA VAL B 13 81.749 9.964 -5.046 1.00 0.00 H new ATOM 0 HB VAL B 13 84.709 10.013 -5.826 1.00 0.00 H new ATOM 0 HG11 VAL B 13 84.780 12.101 -4.503 1.00 0.00 H new ATOM 0 HG12 VAL B 13 83.658 12.252 -5.876 1.00 0.00 H new ATOM 0 HG13 VAL B 13 83.024 11.992 -4.233 1.00 0.00 H new ATOM 0 HG21 VAL B 13 85.076 9.886 -3.371 1.00 0.00 H new ATOM 0 HG22 VAL B 13 83.319 9.774 -3.115 1.00 0.00 H new ATOM 0 HG23 VAL B 13 84.181 8.463 -3.955 1.00 0.00 H new ATOM 1834 N SER B 14 82.985 10.095 -8.095 1.00 0.00 N ATOM 1835 CA SER B 14 82.778 10.777 -9.405 1.00 0.00 C ATOM 1836 C SER B 14 81.324 10.620 -9.853 1.00 0.00 C ATOM 1837 O SER B 14 80.673 11.580 -10.209 1.00 0.00 O ATOM 1838 CB SER B 14 83.698 10.147 -10.452 1.00 0.00 C ATOM 1839 OG SER B 14 83.611 10.892 -11.661 1.00 0.00 O ATOM 0 H SER B 14 83.679 9.348 -8.099 1.00 0.00 H new ATOM 0 HA SER B 14 83.007 11.837 -9.297 1.00 0.00 H new ATOM 0 HB2 SER B 14 84.726 10.137 -10.091 1.00 0.00 H new ATOM 0 HB3 SER B 14 83.412 9.110 -10.628 1.00 0.00 H new ATOM 0 HG SER B 14 84.200 10.493 -12.334 1.00 0.00 H new ATOM 1845 N THR B 15 80.806 9.420 -9.832 1.00 0.00 N ATOM 1846 CA THR B 15 79.389 9.218 -10.252 1.00 0.00 C ATOM 1847 C THR B 15 78.476 9.991 -9.303 1.00 0.00 C ATOM 1848 O THR B 15 77.514 10.608 -9.707 1.00 0.00 O ATOM 1849 CB THR B 15 79.061 7.718 -10.220 1.00 0.00 C ATOM 1850 OG1 THR B 15 77.930 7.465 -11.043 1.00 0.00 O ATOM 1851 CG2 THR B 15 78.770 7.250 -8.791 1.00 0.00 C ATOM 0 H THR B 15 81.300 8.576 -9.544 1.00 0.00 H new ATOM 0 HA THR B 15 79.237 9.586 -11.267 1.00 0.00 H new ATOM 0 HB THR B 15 79.924 7.167 -10.593 1.00 0.00 H new ATOM 0 HG1 THR B 15 77.720 6.508 -11.025 1.00 0.00 H new ATOM 0 HG21 THR B 15 78.541 6.184 -8.797 1.00 0.00 H new ATOM 0 HG22 THR B 15 79.643 7.430 -8.164 1.00 0.00 H new ATOM 0 HG23 THR B 15 77.918 7.802 -8.394 1.00 0.00 H new ATOM 1859 N PHE B 16 78.799 9.963 -8.045 1.00 0.00 N ATOM 1860 CA PHE B 16 77.986 10.689 -7.027 1.00 0.00 C ATOM 1861 C PHE B 16 77.969 12.174 -7.363 1.00 0.00 C ATOM 1862 O PHE B 16 76.967 12.846 -7.228 1.00 0.00 O ATOM 1863 CB PHE B 16 78.624 10.499 -5.647 1.00 0.00 C ATOM 1864 CG PHE B 16 77.819 11.236 -4.603 1.00 0.00 C ATOM 1865 CD1 PHE B 16 77.989 12.617 -4.440 1.00 0.00 C ATOM 1866 CD2 PHE B 16 76.911 10.545 -3.796 1.00 0.00 C ATOM 1867 CE1 PHE B 16 77.248 13.306 -3.473 1.00 0.00 C ATOM 1868 CE2 PHE B 16 76.171 11.235 -2.826 1.00 0.00 C ATOM 1869 CZ PHE B 16 76.339 12.614 -2.666 1.00 0.00 C ATOM 0 H PHE B 16 79.604 9.461 -7.669 1.00 0.00 H new ATOM 0 HA PHE B 16 76.968 10.299 -7.024 1.00 0.00 H new ATOM 0 HB2 PHE B 16 78.670 9.438 -5.401 1.00 0.00 H new ATOM 0 HB3 PHE B 16 79.649 10.869 -5.657 1.00 0.00 H new ATOM 0 HD1 PHE B 16 78.693 13.151 -5.061 1.00 0.00 H new ATOM 0 HD2 PHE B 16 76.780 9.480 -3.920 1.00 0.00 H new ATOM 0 HE1 PHE B 16 77.378 14.371 -3.350 1.00 0.00 H new ATOM 0 HE2 PHE B 16 75.470 10.701 -2.201 1.00 0.00 H new ATOM 0 HZ PHE B 16 75.767 13.145 -1.919 1.00 0.00 H new ATOM 1879 N HIS B 17 79.079 12.689 -7.788 1.00 0.00 N ATOM 1880 CA HIS B 17 79.159 14.131 -8.128 1.00 0.00 C ATOM 1881 C HIS B 17 78.162 14.449 -9.241 1.00 0.00 C ATOM 1882 O HIS B 17 77.539 15.493 -9.250 1.00 0.00 O ATOM 1883 CB HIS B 17 80.574 14.462 -8.604 1.00 0.00 C ATOM 1884 CG HIS B 17 80.675 15.939 -8.865 1.00 0.00 C ATOM 1885 ND1 HIS B 17 80.392 16.498 -10.104 1.00 0.00 N ATOM 1886 CD2 HIS B 17 81.023 16.988 -8.050 1.00 0.00 C ATOM 1887 CE1 HIS B 17 80.572 17.828 -10.000 1.00 0.00 C ATOM 1888 NE2 HIS B 17 80.957 18.176 -8.769 1.00 0.00 N ATOM 0 H HIS B 17 79.946 12.168 -7.917 1.00 0.00 H new ATOM 0 HA HIS B 17 78.921 14.726 -7.246 1.00 0.00 H new ATOM 0 HB2 HIS B 17 81.303 14.163 -7.851 1.00 0.00 H new ATOM 0 HB3 HIS B 17 80.805 13.904 -9.511 1.00 0.00 H new ATOM 0 HD2 HIS B 17 81.305 16.903 -7.011 1.00 0.00 H new ATOM 0 HE1 HIS B 17 80.424 18.526 -10.810 1.00 0.00 H new ATOM 0 HE2 HIS B 17 81.160 19.116 -8.428 1.00 0.00 H new ATOM 1897 N LYS B 18 78.009 13.563 -10.186 1.00 0.00 N ATOM 1898 CA LYS B 18 77.062 13.826 -11.302 1.00 0.00 C ATOM 1899 C LYS B 18 75.651 14.016 -10.738 1.00 0.00 C ATOM 1900 O LYS B 18 74.928 14.898 -11.154 1.00 0.00 O ATOM 1901 CB LYS B 18 77.080 12.630 -12.258 1.00 0.00 C ATOM 1902 CG LYS B 18 76.166 12.901 -13.455 1.00 0.00 C ATOM 1903 CD LYS B 18 76.196 11.699 -14.400 1.00 0.00 C ATOM 1904 CE LYS B 18 75.283 11.968 -15.600 1.00 0.00 C ATOM 1905 NZ LYS B 18 73.865 11.765 -15.200 1.00 0.00 N ATOM 0 H LYS B 18 78.499 12.670 -10.232 1.00 0.00 H new ATOM 0 HA LYS B 18 77.357 14.729 -11.837 1.00 0.00 H new ATOM 0 HB2 LYS B 18 78.098 12.445 -12.602 1.00 0.00 H new ATOM 0 HB3 LYS B 18 76.751 11.732 -11.735 1.00 0.00 H new ATOM 0 HG2 LYS B 18 75.147 13.084 -13.114 1.00 0.00 H new ATOM 0 HG3 LYS B 18 76.493 13.799 -13.980 1.00 0.00 H new ATOM 0 HD2 LYS B 18 77.215 11.515 -14.739 1.00 0.00 H new ATOM 0 HD3 LYS B 18 75.869 10.802 -13.875 1.00 0.00 H new ATOM 0 HE2 LYS B 18 75.428 12.987 -15.960 1.00 0.00 H new ATOM 0 HE3 LYS B 18 75.539 11.300 -16.422 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 73.329 11.381 -16.004 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 73.821 11.097 -14.404 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 73.452 12.675 -14.912 1.00 0.00 H new ATOM 1919 N TYR B 19 75.257 13.220 -9.781 1.00 0.00 N ATOM 1920 CA TYR B 19 73.893 13.402 -9.191 1.00 0.00 C ATOM 1921 C TYR B 19 73.864 14.692 -8.381 1.00 0.00 C ATOM 1922 O TYR B 19 72.903 15.434 -8.407 1.00 0.00 O ATOM 1923 CB TYR B 19 73.542 12.232 -8.276 1.00 0.00 C ATOM 1924 CG TYR B 19 73.300 10.997 -9.106 1.00 0.00 C ATOM 1925 CD1 TYR B 19 72.017 10.725 -9.596 1.00 0.00 C ATOM 1926 CD2 TYR B 19 74.357 10.130 -9.391 1.00 0.00 C ATOM 1927 CE1 TYR B 19 71.794 9.581 -10.370 1.00 0.00 C ATOM 1928 CE2 TYR B 19 74.137 8.987 -10.165 1.00 0.00 C ATOM 1929 CZ TYR B 19 72.855 8.711 -10.656 1.00 0.00 C ATOM 1930 OH TYR B 19 72.637 7.582 -11.419 1.00 0.00 O ATOM 0 H TYR B 19 75.810 12.460 -9.384 1.00 0.00 H new ATOM 0 HA TYR B 19 73.165 13.448 -10.001 1.00 0.00 H new ATOM 0 HB2 TYR B 19 74.352 12.054 -7.569 1.00 0.00 H new ATOM 0 HB3 TYR B 19 72.654 12.469 -7.690 1.00 0.00 H new ATOM 0 HD1 TYR B 19 71.201 11.397 -9.377 1.00 0.00 H new ATOM 0 HD2 TYR B 19 75.346 10.343 -9.013 1.00 0.00 H new ATOM 0 HE1 TYR B 19 70.805 9.368 -10.747 1.00 0.00 H new ATOM 0 HE2 TYR B 19 74.955 8.317 -10.384 1.00 0.00 H new ATOM 0 HH TYR B 19 73.177 7.630 -12.236 1.00 0.00 H new ATOM 1940 N SER B 20 74.914 14.965 -7.665 1.00 0.00 N ATOM 1941 CA SER B 20 74.959 16.206 -6.854 1.00 0.00 C ATOM 1942 C SER B 20 74.770 17.396 -7.785 1.00 0.00 C ATOM 1943 O SER B 20 74.428 18.482 -7.368 1.00 0.00 O ATOM 1944 CB SER B 20 76.313 16.310 -6.152 1.00 0.00 C ATOM 1945 OG SER B 20 76.441 17.602 -5.575 1.00 0.00 O ATOM 0 H SER B 20 75.747 14.379 -7.607 1.00 0.00 H new ATOM 0 HA SER B 20 74.171 16.192 -6.101 1.00 0.00 H new ATOM 0 HB2 SER B 20 76.396 15.544 -5.381 1.00 0.00 H new ATOM 0 HB3 SER B 20 77.120 16.135 -6.864 1.00 0.00 H new ATOM 0 HG SER B 20 77.220 18.056 -5.959 1.00 0.00 H new ATOM 1951 N GLY B 21 74.990 17.194 -9.051 1.00 0.00 N ATOM 1952 CA GLY B 21 74.823 18.309 -10.022 1.00 0.00 C ATOM 1953 C GLY B 21 73.342 18.673 -10.128 1.00 0.00 C ATOM 1954 O GLY B 21 72.981 19.824 -10.281 1.00 0.00 O ATOM 0 H GLY B 21 75.279 16.304 -9.457 1.00 0.00 H new ATOM 0 HA2 GLY B 21 75.400 19.176 -9.700 1.00 0.00 H new ATOM 0 HA3 GLY B 21 75.208 18.016 -10.999 1.00 0.00 H new ATOM 1958 N LYS B 22 72.484 17.692 -10.064 1.00 0.00 N ATOM 1959 CA LYS B 22 71.024 17.961 -10.177 1.00 0.00 C ATOM 1960 C LYS B 22 70.555 18.834 -9.006 1.00 0.00 C ATOM 1961 O LYS B 22 69.748 19.727 -9.179 1.00 0.00 O ATOM 1962 CB LYS B 22 70.280 16.625 -10.140 1.00 0.00 C ATOM 1963 CG LYS B 22 70.821 15.718 -11.251 1.00 0.00 C ATOM 1964 CD LYS B 22 69.925 14.485 -11.419 1.00 0.00 C ATOM 1965 CE LYS B 22 69.665 13.827 -10.062 1.00 0.00 C ATOM 1966 NZ LYS B 22 69.188 12.428 -10.270 1.00 0.00 N ATOM 0 H LYS B 22 72.734 16.711 -9.938 1.00 0.00 H new ATOM 0 HA LYS B 22 70.820 18.485 -11.111 1.00 0.00 H new ATOM 0 HB2 LYS B 22 70.411 16.148 -9.168 1.00 0.00 H new ATOM 0 HB3 LYS B 22 69.210 16.787 -10.274 1.00 0.00 H new ATOM 0 HG2 LYS B 22 70.869 16.271 -12.189 1.00 0.00 H new ATOM 0 HG3 LYS B 22 71.838 15.407 -11.012 1.00 0.00 H new ATOM 0 HD2 LYS B 22 68.979 14.774 -11.877 1.00 0.00 H new ATOM 0 HD3 LYS B 22 70.400 13.771 -12.092 1.00 0.00 H new ATOM 0 HE2 LYS B 22 70.577 13.826 -9.465 1.00 0.00 H new ATOM 0 HE3 LYS B 22 68.921 14.397 -9.506 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 68.408 12.226 -9.612 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 68.853 12.317 -11.248 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 69.970 11.765 -10.094 1.00 0.00 H new ATOM 1980 N GLU B 23 71.048 18.579 -7.814 1.00 0.00 N ATOM 1981 CA GLU B 23 70.629 19.384 -6.617 1.00 0.00 C ATOM 1982 C GLU B 23 71.776 20.260 -6.130 1.00 0.00 C ATOM 1983 O GLU B 23 72.934 19.968 -6.343 1.00 0.00 O ATOM 1984 CB GLU B 23 70.201 18.446 -5.490 1.00 0.00 C ATOM 1985 CG GLU B 23 68.877 17.795 -5.870 1.00 0.00 C ATOM 1986 CD GLU B 23 68.547 16.678 -4.879 1.00 0.00 C ATOM 1987 OE1 GLU B 23 69.332 16.469 -3.969 1.00 0.00 O ATOM 1988 OE2 GLU B 23 67.520 16.041 -5.054 1.00 0.00 O ATOM 0 H GLU B 23 71.727 17.843 -7.618 1.00 0.00 H new ATOM 0 HA GLU B 23 69.794 20.022 -6.906 1.00 0.00 H new ATOM 0 HB2 GLU B 23 70.962 17.684 -5.324 1.00 0.00 H new ATOM 0 HB3 GLU B 23 70.095 19.000 -4.557 1.00 0.00 H new ATOM 0 HG2 GLU B 23 68.082 18.540 -5.871 1.00 0.00 H new ATOM 0 HG3 GLU B 23 68.936 17.391 -6.881 1.00 0.00 H new ATOM 1995 N GLY B 24 71.453 21.335 -5.473 1.00 0.00 N ATOM 1996 CA GLY B 24 72.509 22.243 -4.961 1.00 0.00 C ATOM 1997 C GLY B 24 73.146 21.646 -3.701 1.00 0.00 C ATOM 1998 O GLY B 24 74.093 22.184 -3.165 1.00 0.00 O ATOM 0 H GLY B 24 70.497 21.625 -5.268 1.00 0.00 H new ATOM 0 HA2 GLY B 24 73.270 22.397 -5.726 1.00 0.00 H new ATOM 0 HA3 GLY B 24 72.082 23.220 -4.735 1.00 0.00 H new ATOM 2002 N ASP B 25 72.636 20.540 -3.220 1.00 0.00 N ATOM 2003 CA ASP B 25 73.218 19.915 -1.992 1.00 0.00 C ATOM 2004 C ASP B 25 74.188 18.805 -2.402 1.00 0.00 C ATOM 2005 O ASP B 25 73.786 17.769 -2.893 1.00 0.00 O ATOM 2006 CB ASP B 25 72.094 19.311 -1.147 1.00 0.00 C ATOM 2007 CG ASP B 25 71.249 20.430 -0.536 1.00 0.00 C ATOM 2008 OD1 ASP B 25 71.730 21.550 -0.489 1.00 0.00 O ATOM 2009 OD2 ASP B 25 70.137 20.146 -0.122 1.00 0.00 O ATOM 0 H ASP B 25 71.842 20.043 -3.624 1.00 0.00 H new ATOM 0 HA ASP B 25 73.746 20.673 -1.413 1.00 0.00 H new ATOM 0 HB2 ASP B 25 71.469 18.666 -1.764 1.00 0.00 H new ATOM 0 HB3 ASP B 25 72.514 18.687 -0.358 1.00 0.00 H new ATOM 2014 N LYS B 26 75.465 19.014 -2.203 1.00 0.00 N ATOM 2015 CA LYS B 26 76.485 17.977 -2.575 1.00 0.00 C ATOM 2016 C LYS B 26 76.925 17.196 -1.331 1.00 0.00 C ATOM 2017 O LYS B 26 77.763 16.319 -1.407 1.00 0.00 O ATOM 2018 CB LYS B 26 77.697 18.667 -3.213 1.00 0.00 C ATOM 2019 CG LYS B 26 78.311 19.661 -2.218 1.00 0.00 C ATOM 2020 CD LYS B 26 79.381 20.532 -2.910 1.00 0.00 C ATOM 2021 CE LYS B 26 80.737 19.816 -2.897 1.00 0.00 C ATOM 2022 NZ LYS B 26 81.350 19.946 -1.545 1.00 0.00 N ATOM 0 H LYS B 26 75.851 19.865 -1.795 1.00 0.00 H new ATOM 0 HA LYS B 26 76.045 17.278 -3.287 1.00 0.00 H new ATOM 0 HB2 LYS B 26 78.439 17.924 -3.504 1.00 0.00 H new ATOM 0 HB3 LYS B 26 77.394 19.188 -4.122 1.00 0.00 H new ATOM 0 HG2 LYS B 26 77.530 20.297 -1.802 1.00 0.00 H new ATOM 0 HG3 LYS B 26 78.758 19.120 -1.384 1.00 0.00 H new ATOM 0 HD2 LYS B 26 79.082 20.741 -3.937 1.00 0.00 H new ATOM 0 HD3 LYS B 26 79.464 21.492 -2.401 1.00 0.00 H new ATOM 0 HE2 LYS B 26 80.608 18.764 -3.151 1.00 0.00 H new ATOM 0 HE3 LYS B 26 81.396 20.247 -3.651 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 82.086 20.681 -1.567 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 80.617 20.210 -0.856 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 81.776 19.038 -1.268 1.00 0.00 H new ATOM 2036 N PHE B 27 76.386 17.515 -0.183 1.00 0.00 N ATOM 2037 CA PHE B 27 76.790 16.796 1.066 1.00 0.00 C ATOM 2038 C PHE B 27 75.812 15.660 1.375 1.00 0.00 C ATOM 2039 O PHE B 27 75.942 14.986 2.377 1.00 0.00 O ATOM 2040 CB PHE B 27 76.775 17.777 2.237 1.00 0.00 C ATOM 2041 CG PHE B 27 77.758 18.890 1.977 1.00 0.00 C ATOM 2042 CD1 PHE B 27 79.087 18.762 2.398 1.00 0.00 C ATOM 2043 CD2 PHE B 27 77.342 20.048 1.312 1.00 0.00 C ATOM 2044 CE1 PHE B 27 79.999 19.796 2.154 1.00 0.00 C ATOM 2045 CE2 PHE B 27 78.252 21.081 1.067 1.00 0.00 C ATOM 2046 CZ PHE B 27 79.581 20.956 1.488 1.00 0.00 C ATOM 0 H PHE B 27 75.683 18.243 -0.055 1.00 0.00 H new ATOM 0 HA PHE B 27 77.788 16.383 0.921 1.00 0.00 H new ATOM 0 HB2 PHE B 27 75.773 18.186 2.369 1.00 0.00 H new ATOM 0 HB3 PHE B 27 77.032 17.260 3.161 1.00 0.00 H new ATOM 0 HD1 PHE B 27 79.408 17.867 2.910 1.00 0.00 H new ATOM 0 HD2 PHE B 27 76.316 20.144 0.987 1.00 0.00 H new ATOM 0 HE1 PHE B 27 81.024 19.700 2.479 1.00 0.00 H new ATOM 0 HE2 PHE B 27 77.930 21.975 0.553 1.00 0.00 H new ATOM 0 HZ PHE B 27 80.284 21.754 1.300 1.00 0.00 H new ATOM 2056 N LYS B 28 74.821 15.447 0.549 1.00 0.00 N ATOM 2057 CA LYS B 28 73.845 14.358 0.853 1.00 0.00 C ATOM 2058 C LYS B 28 73.100 13.936 -0.416 1.00 0.00 C ATOM 2059 O LYS B 28 73.132 14.613 -1.425 1.00 0.00 O ATOM 2060 CB LYS B 28 72.840 14.880 1.882 1.00 0.00 C ATOM 2061 CG LYS B 28 72.028 16.045 1.272 1.00 0.00 C ATOM 2062 CD LYS B 28 71.624 17.045 2.362 1.00 0.00 C ATOM 2063 CE LYS B 28 70.641 16.393 3.328 1.00 0.00 C ATOM 2064 NZ LYS B 28 70.014 17.445 4.174 1.00 0.00 N ATOM 0 H LYS B 28 74.646 15.970 -0.309 1.00 0.00 H new ATOM 0 HA LYS B 28 74.379 13.492 1.245 1.00 0.00 H new ATOM 0 HB2 LYS B 28 72.169 14.078 2.189 1.00 0.00 H new ATOM 0 HB3 LYS B 28 73.363 15.218 2.777 1.00 0.00 H new ATOM 0 HG2 LYS B 28 72.621 16.549 0.509 1.00 0.00 H new ATOM 0 HG3 LYS B 28 71.137 15.656 0.778 1.00 0.00 H new ATOM 0 HD2 LYS B 28 72.508 17.383 2.903 1.00 0.00 H new ATOM 0 HD3 LYS B 28 71.171 17.927 1.909 1.00 0.00 H new ATOM 0 HE2 LYS B 28 69.875 15.850 2.774 1.00 0.00 H new ATOM 0 HE3 LYS B 28 71.157 15.665 3.955 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 69.342 17.005 4.835 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 70.752 17.944 4.711 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 69.509 18.123 3.568 1.00 0.00 H new ATOM 2078 N LEU B 29 72.414 12.820 -0.358 1.00 0.00 N ATOM 2079 CA LEU B 29 71.636 12.325 -1.540 1.00 0.00 C ATOM 2080 C LEU B 29 70.230 11.962 -1.062 1.00 0.00 C ATOM 2081 O LEU B 29 70.008 11.710 0.105 1.00 0.00 O ATOM 2082 CB LEU B 29 72.343 11.080 -2.151 1.00 0.00 C ATOM 2083 CG LEU B 29 72.843 11.342 -3.590 1.00 0.00 C ATOM 2084 CD1 LEU B 29 73.395 10.022 -4.171 1.00 0.00 C ATOM 2085 CD2 LEU B 29 71.687 11.860 -4.483 1.00 0.00 C ATOM 0 H LEU B 29 72.359 12.223 0.467 1.00 0.00 H new ATOM 0 HA LEU B 29 71.578 13.094 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU B 29 73.186 10.797 -1.521 1.00 0.00 H new ATOM 0 HB3 LEU B 29 71.652 10.237 -2.156 1.00 0.00 H new ATOM 0 HG LEU B 29 73.625 12.100 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU B 29 73.751 10.193 -5.187 1.00 0.00 H new ATOM 0 HD12 LEU B 29 74.219 9.668 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU B 29 72.604 9.272 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU B 29 72.059 12.039 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU B 29 70.891 11.116 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU B 29 71.297 12.790 -4.070 1.00 0.00 H new ATOM 2097 N ASN B 30 69.282 11.934 -1.957 1.00 0.00 N ATOM 2098 CA ASN B 30 67.891 11.583 -1.572 1.00 0.00 C ATOM 2099 C ASN B 30 67.698 10.081 -1.777 1.00 0.00 C ATOM 2100 O ASN B 30 67.944 9.548 -2.841 1.00 0.00 O ATOM 2101 CB ASN B 30 66.910 12.348 -2.462 1.00 0.00 C ATOM 2102 CG ASN B 30 66.985 13.840 -2.134 1.00 0.00 C ATOM 2103 OD1 ASN B 30 67.435 14.220 -1.072 1.00 0.00 O ATOM 2104 ND2 ASN B 30 66.561 14.707 -3.012 1.00 0.00 N ATOM 0 H ASN B 30 69.415 12.141 -2.947 1.00 0.00 H new ATOM 0 HA ASN B 30 67.711 11.846 -0.530 1.00 0.00 H new ATOM 0 HB2 ASN B 30 67.150 12.183 -3.512 1.00 0.00 H new ATOM 0 HB3 ASN B 30 65.896 11.980 -2.305 1.00 0.00 H new ATOM 0 HD21 ASN B 30 66.607 15.705 -2.807 1.00 0.00 H new ATOM 0 HD22 ASN B 30 66.183 14.387 -3.904 1.00 0.00 H new ATOM 2111 N LYS B 31 67.265 9.396 -0.761 1.00 0.00 N ATOM 2112 CA LYS B 31 67.059 7.925 -0.869 1.00 0.00 C ATOM 2113 C LYS B 31 66.269 7.629 -2.148 1.00 0.00 C ATOM 2114 O LYS B 31 66.354 6.564 -2.707 1.00 0.00 O ATOM 2115 CB LYS B 31 66.307 7.440 0.393 1.00 0.00 C ATOM 2116 CG LYS B 31 66.912 6.133 0.942 1.00 0.00 C ATOM 2117 CD LYS B 31 66.375 5.884 2.354 1.00 0.00 C ATOM 2118 CE LYS B 31 67.012 4.615 2.924 1.00 0.00 C ATOM 2119 NZ LYS B 31 68.495 4.774 2.938 1.00 0.00 N ATOM 0 H LYS B 31 67.042 9.795 0.151 1.00 0.00 H new ATOM 0 HA LYS B 31 68.010 7.395 -0.928 1.00 0.00 H new ATOM 0 HB2 LYS B 31 66.347 8.212 1.161 1.00 0.00 H new ATOM 0 HB3 LYS B 31 65.255 7.283 0.154 1.00 0.00 H new ATOM 0 HG2 LYS B 31 66.656 5.298 0.290 1.00 0.00 H new ATOM 0 HG3 LYS B 31 68.000 6.201 0.960 1.00 0.00 H new ATOM 0 HD2 LYS B 31 66.599 6.736 2.996 1.00 0.00 H new ATOM 0 HD3 LYS B 31 65.290 5.780 2.329 1.00 0.00 H new ATOM 0 HE2 LYS B 31 66.644 4.431 3.934 1.00 0.00 H new ATOM 0 HE3 LYS B 31 66.733 3.751 2.321 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 68.914 4.064 3.572 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 68.867 4.642 1.976 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 68.739 5.727 3.276 1.00 0.00 H new ATOM 2133 N SER B 32 65.537 8.572 -2.647 1.00 0.00 N ATOM 2134 CA SER B 32 64.810 8.314 -3.912 1.00 0.00 C ATOM 2135 C SER B 32 65.853 8.017 -4.966 1.00 0.00 C ATOM 2136 O SER B 32 65.688 7.153 -5.804 1.00 0.00 O ATOM 2137 CB SER B 32 64.008 9.529 -4.335 1.00 0.00 C ATOM 2138 OG SER B 32 64.849 10.675 -4.325 1.00 0.00 O ATOM 0 H SER B 32 65.409 9.500 -2.242 1.00 0.00 H new ATOM 0 HA SER B 32 64.116 7.484 -3.782 1.00 0.00 H new ATOM 0 HB2 SER B 32 63.594 9.376 -5.332 1.00 0.00 H new ATOM 0 HB3 SER B 32 63.166 9.676 -3.659 1.00 0.00 H new ATOM 0 HG SER B 32 64.333 11.462 -4.600 1.00 0.00 H new ATOM 2144 N GLU B 33 66.953 8.716 -4.908 1.00 0.00 N ATOM 2145 CA GLU B 33 68.027 8.452 -5.884 1.00 0.00 C ATOM 2146 C GLU B 33 68.486 7.031 -5.680 1.00 0.00 C ATOM 2147 O GLU B 33 69.010 6.409 -6.571 1.00 0.00 O ATOM 2148 CB GLU B 33 69.176 9.450 -5.707 1.00 0.00 C ATOM 2149 CG GLU B 33 68.711 10.834 -6.176 1.00 0.00 C ATOM 2150 CD GLU B 33 68.504 10.821 -7.692 1.00 0.00 C ATOM 2151 OE1 GLU B 33 69.053 9.943 -8.338 1.00 0.00 O ATOM 2152 OE2 GLU B 33 67.799 11.688 -8.181 1.00 0.00 O ATOM 0 H GLU B 33 67.147 9.452 -4.229 1.00 0.00 H new ATOM 0 HA GLU B 33 67.662 8.578 -6.903 1.00 0.00 H new ATOM 0 HB2 GLU B 33 69.482 9.490 -4.662 1.00 0.00 H new ATOM 0 HB3 GLU B 33 70.045 9.130 -6.282 1.00 0.00 H new ATOM 0 HG2 GLU B 33 67.782 11.106 -5.675 1.00 0.00 H new ATOM 0 HG3 GLU B 33 69.451 11.588 -5.907 1.00 0.00 H new ATOM 2159 N LEU B 34 68.262 6.479 -4.528 1.00 0.00 N ATOM 2160 CA LEU B 34 68.680 5.068 -4.350 1.00 0.00 C ATOM 2161 C LEU B 34 67.915 4.260 -5.391 1.00 0.00 C ATOM 2162 O LEU B 34 68.455 3.377 -6.022 1.00 0.00 O ATOM 2163 CB LEU B 34 68.357 4.577 -2.914 1.00 0.00 C ATOM 2164 CG LEU B 34 68.862 3.136 -2.622 1.00 0.00 C ATOM 2165 CD1 LEU B 34 67.896 2.073 -3.183 1.00 0.00 C ATOM 2166 CD2 LEU B 34 70.263 2.915 -3.204 1.00 0.00 C ATOM 0 H LEU B 34 67.822 6.926 -3.724 1.00 0.00 H new ATOM 0 HA LEU B 34 69.756 4.954 -4.483 1.00 0.00 H new ATOM 0 HB2 LEU B 34 68.805 5.263 -2.195 1.00 0.00 H new ATOM 0 HB3 LEU B 34 67.279 4.613 -2.760 1.00 0.00 H new ATOM 0 HG LEU B 34 68.906 3.027 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU B 34 68.281 1.078 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU B 34 66.915 2.194 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU B 34 67.808 2.195 -4.263 1.00 0.00 H new ATOM 0 HD21 LEU B 34 70.592 1.899 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU B 34 70.236 3.063 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU B 34 70.959 3.626 -2.758 1.00 0.00 H new ATOM 2178 N LYS B 35 66.663 4.572 -5.607 1.00 0.00 N ATOM 2179 CA LYS B 35 65.910 3.821 -6.644 1.00 0.00 C ATOM 2180 C LYS B 35 66.325 4.307 -8.029 1.00 0.00 C ATOM 2181 O LYS B 35 66.675 3.530 -8.889 1.00 0.00 O ATOM 2182 CB LYS B 35 64.407 4.037 -6.453 1.00 0.00 C ATOM 2183 CG LYS B 35 63.620 3.270 -7.514 1.00 0.00 C ATOM 2184 CD LYS B 35 62.126 3.504 -7.291 1.00 0.00 C ATOM 2185 CE LYS B 35 61.332 2.739 -8.348 1.00 0.00 C ATOM 2186 NZ LYS B 35 61.403 3.471 -9.644 1.00 0.00 N ATOM 0 H LYS B 35 66.141 5.300 -5.119 1.00 0.00 H new ATOM 0 HA LYS B 35 66.134 2.758 -6.550 1.00 0.00 H new ATOM 0 HB2 LYS B 35 64.109 3.705 -5.459 1.00 0.00 H new ATOM 0 HB3 LYS B 35 64.175 5.100 -6.517 1.00 0.00 H new ATOM 0 HG2 LYS B 35 63.909 3.603 -8.511 1.00 0.00 H new ATOM 0 HG3 LYS B 35 63.847 2.206 -7.455 1.00 0.00 H new ATOM 0 HD2 LYS B 35 61.839 3.172 -6.293 1.00 0.00 H new ATOM 0 HD3 LYS B 35 61.900 4.569 -7.350 1.00 0.00 H new ATOM 0 HE2 LYS B 35 61.734 1.732 -8.463 1.00 0.00 H new ATOM 0 HE3 LYS B 35 60.294 2.633 -8.033 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 60.744 3.040 -10.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 61.144 4.467 -9.495 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 62.371 3.418 -10.020 1.00 0.00 H new ATOM 2200 N GLU B 36 66.271 5.586 -8.261 1.00 0.00 N ATOM 2201 CA GLU B 36 66.640 6.103 -9.602 1.00 0.00 C ATOM 2202 C GLU B 36 68.122 5.874 -9.880 1.00 0.00 C ATOM 2203 O GLU B 36 68.503 5.537 -10.982 1.00 0.00 O ATOM 2204 CB GLU B 36 66.312 7.594 -9.703 1.00 0.00 C ATOM 2205 CG GLU B 36 66.682 8.097 -11.096 1.00 0.00 C ATOM 2206 CD GLU B 36 66.189 9.534 -11.272 1.00 0.00 C ATOM 2207 OE1 GLU B 36 65.580 10.047 -10.349 1.00 0.00 O ATOM 2208 OE2 GLU B 36 66.428 10.097 -12.329 1.00 0.00 O ATOM 0 H GLU B 36 65.988 6.293 -7.582 1.00 0.00 H new ATOM 0 HA GLU B 36 66.060 5.561 -10.349 1.00 0.00 H new ATOM 0 HB2 GLU B 36 65.251 7.759 -9.514 1.00 0.00 H new ATOM 0 HB3 GLU B 36 66.861 8.151 -8.944 1.00 0.00 H new ATOM 0 HG2 GLU B 36 67.762 8.053 -11.234 1.00 0.00 H new ATOM 0 HG3 GLU B 36 66.237 7.454 -11.856 1.00 0.00 H new ATOM 2215 N LEU B 37 68.974 6.058 -8.915 1.00 0.00 N ATOM 2216 CA LEU B 37 70.413 5.848 -9.191 1.00 0.00 C ATOM 2217 C LEU B 37 70.633 4.393 -9.576 1.00 0.00 C ATOM 2218 O LEU B 37 71.418 4.084 -10.446 1.00 0.00 O ATOM 2219 CB LEU B 37 71.249 6.208 -7.948 1.00 0.00 C ATOM 2220 CG LEU B 37 72.767 6.222 -8.282 1.00 0.00 C ATOM 2221 CD1 LEU B 37 73.482 7.259 -7.399 1.00 0.00 C ATOM 2222 CD2 LEU B 37 73.396 4.837 -8.032 1.00 0.00 C ATOM 0 H LEU B 37 68.740 6.340 -7.963 1.00 0.00 H new ATOM 0 HA LEU B 37 70.729 6.492 -10.012 1.00 0.00 H new ATOM 0 HB2 LEU B 37 70.947 7.186 -7.573 1.00 0.00 H new ATOM 0 HB3 LEU B 37 71.055 5.488 -7.153 1.00 0.00 H new ATOM 0 HG LEU B 37 72.882 6.480 -9.335 1.00 0.00 H new ATOM 0 HD11 LEU B 37 74.546 7.266 -7.635 1.00 0.00 H new ATOM 0 HD12 LEU B 37 73.062 8.247 -7.586 1.00 0.00 H new ATOM 0 HD13 LEU B 37 73.345 6.999 -6.349 1.00 0.00 H new ATOM 0 HD21 LEU B 37 74.459 4.871 -8.273 1.00 0.00 H new ATOM 0 HD22 LEU B 37 73.270 4.564 -6.984 1.00 0.00 H new ATOM 0 HD23 LEU B 37 72.905 4.095 -8.662 1.00 0.00 H new ATOM 2234 N LEU B 38 69.967 3.485 -8.929 1.00 0.00 N ATOM 2235 CA LEU B 38 70.197 2.048 -9.286 1.00 0.00 C ATOM 2236 C LEU B 38 69.632 1.701 -10.657 1.00 0.00 C ATOM 2237 O LEU B 38 70.235 0.964 -11.407 1.00 0.00 O ATOM 2238 CB LEU B 38 69.590 1.128 -8.229 1.00 0.00 C ATOM 2239 CG LEU B 38 70.399 1.208 -6.926 1.00 0.00 C ATOM 2240 CD1 LEU B 38 69.737 0.302 -5.881 1.00 0.00 C ATOM 2241 CD2 LEU B 38 71.854 0.753 -7.174 1.00 0.00 C ATOM 0 H LEU B 38 69.289 3.659 -8.187 1.00 0.00 H new ATOM 0 HA LEU B 38 71.276 1.897 -9.321 1.00 0.00 H new ATOM 0 HB2 LEU B 38 68.555 1.412 -8.041 1.00 0.00 H new ATOM 0 HB3 LEU B 38 69.577 0.101 -8.595 1.00 0.00 H new ATOM 0 HG LEU B 38 70.417 2.237 -6.567 1.00 0.00 H new ATOM 0 HD11 LEU B 38 70.301 0.349 -4.949 1.00 0.00 H new ATOM 0 HD12 LEU B 38 68.715 0.637 -5.704 1.00 0.00 H new ATOM 0 HD13 LEU B 38 69.724 -0.725 -6.246 1.00 0.00 H new ATOM 0 HD21 LEU B 38 72.418 0.814 -6.243 1.00 0.00 H new ATOM 0 HD22 LEU B 38 71.857 -0.276 -7.533 1.00 0.00 H new ATOM 0 HD23 LEU B 38 72.315 1.400 -7.921 1.00 0.00 H new ATOM 2253 N THR B 39 68.492 2.198 -11.001 1.00 0.00 N ATOM 2254 CA THR B 39 67.933 1.852 -12.332 1.00 0.00 C ATOM 2255 C THR B 39 68.752 2.524 -13.406 1.00 0.00 C ATOM 2256 O THR B 39 68.792 2.089 -14.541 1.00 0.00 O ATOM 2257 CB THR B 39 66.496 2.338 -12.427 1.00 0.00 C ATOM 2258 OG1 THR B 39 66.459 3.752 -12.300 1.00 0.00 O ATOM 2259 CG2 THR B 39 65.704 1.702 -11.307 1.00 0.00 C ATOM 0 H THR B 39 67.923 2.823 -10.430 1.00 0.00 H new ATOM 0 HA THR B 39 67.961 0.770 -12.464 1.00 0.00 H new ATOM 0 HB THR B 39 66.069 2.062 -13.391 1.00 0.00 H new ATOM 0 HG1 THR B 39 67.242 4.056 -11.796 1.00 0.00 H new ATOM 0 HG21 THR B 39 64.668 2.038 -11.357 1.00 0.00 H new ATOM 0 HG22 THR B 39 65.739 0.617 -11.407 1.00 0.00 H new ATOM 0 HG23 THR B 39 66.133 1.991 -10.348 1.00 0.00 H new ATOM 2267 N ARG B 40 69.403 3.598 -13.070 1.00 0.00 N ATOM 2268 CA ARG B 40 70.204 4.303 -14.092 1.00 0.00 C ATOM 2269 C ARG B 40 71.582 3.659 -14.219 1.00 0.00 C ATOM 2270 O ARG B 40 72.187 3.697 -15.272 1.00 0.00 O ATOM 2271 CB ARG B 40 70.363 5.779 -13.724 1.00 0.00 C ATOM 2272 CG ARG B 40 69.027 6.504 -13.887 1.00 0.00 C ATOM 2273 CD ARG B 40 69.212 7.977 -13.527 1.00 0.00 C ATOM 2274 NE ARG B 40 70.116 8.614 -14.524 1.00 0.00 N ATOM 2275 CZ ARG B 40 70.156 9.913 -14.634 1.00 0.00 C ATOM 2276 NH1 ARG B 40 69.376 10.653 -13.894 1.00 0.00 N ATOM 2277 NH2 ARG B 40 70.970 10.470 -15.489 1.00 0.00 N ATOM 0 H ARG B 40 69.413 4.013 -12.138 1.00 0.00 H new ATOM 0 HA ARG B 40 69.682 4.229 -15.046 1.00 0.00 H new ATOM 0 HB2 ARG B 40 70.713 5.871 -12.696 1.00 0.00 H new ATOM 0 HB3 ARG B 40 71.118 6.242 -14.360 1.00 0.00 H new ATOM 0 HG2 ARG B 40 68.670 6.409 -14.913 1.00 0.00 H new ATOM 0 HG3 ARG B 40 68.272 6.051 -13.244 1.00 0.00 H new ATOM 0 HD2 ARG B 40 68.248 8.485 -13.516 1.00 0.00 H new ATOM 0 HD3 ARG B 40 69.633 8.069 -12.526 1.00 0.00 H new ATOM 0 HE ARG B 40 70.705 8.034 -15.122 1.00 0.00 H new ATOM 0 HH11 ARG B 40 68.736 10.215 -13.231 1.00 0.00 H new ATOM 0 HH12 ARG B 40 69.406 11.669 -13.979 1.00 0.00 H new ATOM 0 HH21 ARG B 40 71.574 9.889 -16.071 1.00 0.00 H new ATOM 0 HH22 ARG B 40 71.002 11.486 -15.576 1.00 0.00 H new ATOM 2291 N GLU B 41 72.094 3.070 -13.156 1.00 0.00 N ATOM 2292 CA GLU B 41 73.453 2.428 -13.231 1.00 0.00 C ATOM 2293 C GLU B 41 73.333 0.923 -13.098 1.00 0.00 C ATOM 2294 O GLU B 41 74.228 0.198 -13.487 1.00 0.00 O ATOM 2295 CB GLU B 41 74.353 2.989 -12.116 1.00 0.00 C ATOM 2296 CG GLU B 41 74.932 4.349 -12.532 1.00 0.00 C ATOM 2297 CD GLU B 41 73.826 5.407 -12.572 1.00 0.00 C ATOM 2298 OE1 GLU B 41 72.831 5.221 -11.898 1.00 0.00 O ATOM 2299 OE2 GLU B 41 74.000 6.390 -13.273 1.00 0.00 O ATOM 0 H GLU B 41 71.634 3.007 -12.248 1.00 0.00 H new ATOM 0 HA GLU B 41 73.899 2.655 -14.199 1.00 0.00 H new ATOM 0 HB2 GLU B 41 73.779 3.097 -11.196 1.00 0.00 H new ATOM 0 HB3 GLU B 41 75.163 2.290 -11.907 1.00 0.00 H new ATOM 0 HG2 GLU B 41 75.709 4.651 -11.830 1.00 0.00 H new ATOM 0 HG3 GLU B 41 75.402 4.267 -13.512 1.00 0.00 H new ATOM 2306 N LEU B 42 72.248 0.437 -12.567 1.00 0.00 N ATOM 2307 CA LEU B 42 72.097 -1.041 -12.429 1.00 0.00 C ATOM 2308 C LEU B 42 70.645 -1.457 -12.706 1.00 0.00 C ATOM 2309 O LEU B 42 69.939 -1.866 -11.809 1.00 0.00 O ATOM 2310 CB LEU B 42 72.478 -1.463 -11.001 1.00 0.00 C ATOM 2311 CG LEU B 42 73.971 -1.159 -10.715 1.00 0.00 C ATOM 2312 CD1 LEU B 42 74.124 0.238 -10.081 1.00 0.00 C ATOM 2313 CD2 LEU B 42 74.542 -2.218 -9.755 1.00 0.00 C ATOM 0 H LEU B 42 71.464 0.992 -12.224 1.00 0.00 H new ATOM 0 HA LEU B 42 72.752 -1.530 -13.150 1.00 0.00 H new ATOM 0 HB2 LEU B 42 71.851 -0.936 -10.282 1.00 0.00 H new ATOM 0 HB3 LEU B 42 72.288 -2.528 -10.869 1.00 0.00 H new ATOM 0 HG LEU B 42 74.517 -1.183 -11.658 1.00 0.00 H new ATOM 0 HD11 LEU B 42 75.178 0.436 -9.886 1.00 0.00 H new ATOM 0 HD12 LEU B 42 73.733 0.992 -10.764 1.00 0.00 H new ATOM 0 HD13 LEU B 42 73.569 0.275 -9.144 1.00 0.00 H new ATOM 0 HD21 LEU B 42 75.592 -2.001 -9.556 1.00 0.00 H new ATOM 0 HD22 LEU B 42 73.984 -2.199 -8.819 1.00 0.00 H new ATOM 0 HD23 LEU B 42 74.455 -3.205 -10.209 1.00 0.00 H new ATOM 2325 N PRO B 43 70.194 -1.371 -13.932 1.00 0.00 N ATOM 2326 CA PRO B 43 68.794 -1.769 -14.254 1.00 0.00 C ATOM 2327 C PRO B 43 68.584 -3.292 -14.145 1.00 0.00 C ATOM 2328 O PRO B 43 67.974 -3.782 -13.215 1.00 0.00 O ATOM 2329 CB PRO B 43 68.633 -1.274 -15.709 1.00 0.00 C ATOM 2330 CG PRO B 43 70.007 -0.784 -16.219 1.00 0.00 C ATOM 2331 CD PRO B 43 71.025 -0.874 -15.063 1.00 0.00 C ATOM 0 HA PRO B 43 68.060 -1.348 -13.566 1.00 0.00 H new ATOM 0 HB2 PRO B 43 68.259 -2.078 -16.343 1.00 0.00 H new ATOM 0 HB3 PRO B 43 67.903 -0.466 -15.755 1.00 0.00 H new ATOM 0 HG2 PRO B 43 70.337 -1.393 -17.061 1.00 0.00 H new ATOM 0 HG3 PRO B 43 69.933 0.243 -16.578 1.00 0.00 H new ATOM 0 HD2 PRO B 43 71.842 -1.557 -15.296 1.00 0.00 H new ATOM 0 HD3 PRO B 43 71.472 0.095 -14.841 1.00 0.00 H new ATOM 2339 N SER B 44 69.078 -4.035 -15.097 1.00 0.00 N ATOM 2340 CA SER B 44 68.907 -5.517 -15.067 1.00 0.00 C ATOM 2341 C SER B 44 69.749 -6.134 -13.947 1.00 0.00 C ATOM 2342 O SER B 44 69.322 -7.033 -13.269 1.00 0.00 O ATOM 2343 CB SER B 44 69.358 -6.096 -16.407 1.00 0.00 C ATOM 2344 OG SER B 44 69.027 -7.477 -16.463 1.00 0.00 O ATOM 0 H SER B 44 69.596 -3.678 -15.900 1.00 0.00 H new ATOM 0 HA SER B 44 67.857 -5.748 -14.886 1.00 0.00 H new ATOM 0 HB2 SER B 44 68.876 -5.562 -17.226 1.00 0.00 H new ATOM 0 HB3 SER B 44 70.433 -5.964 -16.529 1.00 0.00 H new ATOM 0 HG SER B 44 69.315 -7.848 -17.323 1.00 0.00 H new ATOM 2350 N PHE B 45 70.947 -5.658 -13.771 1.00 0.00 N ATOM 2351 CA PHE B 45 71.863 -6.208 -12.720 1.00 0.00 C ATOM 2352 C PHE B 45 71.156 -6.361 -11.370 1.00 0.00 C ATOM 2353 O PHE B 45 71.694 -6.935 -10.443 1.00 0.00 O ATOM 2354 CB PHE B 45 73.013 -5.236 -12.550 1.00 0.00 C ATOM 2355 CG PHE B 45 73.865 -5.247 -13.795 1.00 0.00 C ATOM 2356 CD1 PHE B 45 74.928 -6.150 -13.902 1.00 0.00 C ATOM 2357 CD2 PHE B 45 73.587 -4.362 -14.844 1.00 0.00 C ATOM 2358 CE1 PHE B 45 75.716 -6.168 -15.057 1.00 0.00 C ATOM 2359 CE2 PHE B 45 74.376 -4.381 -16.001 1.00 0.00 C ATOM 2360 CZ PHE B 45 75.442 -5.284 -16.108 1.00 0.00 C ATOM 0 H PHE B 45 71.344 -4.895 -14.320 1.00 0.00 H new ATOM 0 HA PHE B 45 72.204 -7.194 -13.037 1.00 0.00 H new ATOM 0 HB2 PHE B 45 72.631 -4.232 -12.366 1.00 0.00 H new ATOM 0 HB3 PHE B 45 73.613 -5.513 -11.683 1.00 0.00 H new ATOM 0 HD1 PHE B 45 75.140 -6.833 -13.093 1.00 0.00 H new ATOM 0 HD2 PHE B 45 72.765 -3.666 -14.761 1.00 0.00 H new ATOM 0 HE1 PHE B 45 76.537 -6.865 -15.139 1.00 0.00 H new ATOM 0 HE2 PHE B 45 74.163 -3.699 -16.811 1.00 0.00 H new ATOM 0 HZ PHE B 45 76.051 -5.298 -17.000 1.00 0.00 H new ATOM 2370 N LEU B 46 69.965 -5.861 -11.254 1.00 0.00 N ATOM 2371 CA LEU B 46 69.199 -5.972 -9.961 1.00 0.00 C ATOM 2372 C LEU B 46 67.834 -6.532 -10.296 1.00 0.00 C ATOM 2373 O LEU B 46 67.339 -7.443 -9.665 1.00 0.00 O ATOM 2374 CB LEU B 46 69.039 -4.590 -9.319 1.00 0.00 C ATOM 2375 CG LEU B 46 70.415 -4.013 -8.959 1.00 0.00 C ATOM 2376 CD1 LEU B 46 70.261 -2.528 -8.624 1.00 0.00 C ATOM 2377 CD2 LEU B 46 71.008 -4.741 -7.741 1.00 0.00 C ATOM 0 H LEU B 46 69.472 -5.372 -12.001 1.00 0.00 H new ATOM 0 HA LEU B 46 69.729 -6.616 -9.259 1.00 0.00 H new ATOM 0 HB2 LEU B 46 68.523 -3.919 -10.006 1.00 0.00 H new ATOM 0 HB3 LEU B 46 68.422 -4.666 -8.424 1.00 0.00 H new ATOM 0 HG LEU B 46 71.084 -4.146 -9.809 1.00 0.00 H new ATOM 0 HD11 LEU B 46 71.234 -2.110 -8.367 1.00 0.00 H new ATOM 0 HD12 LEU B 46 69.856 -2.000 -9.488 1.00 0.00 H new ATOM 0 HD13 LEU B 46 69.583 -2.414 -7.778 1.00 0.00 H new ATOM 0 HD21 LEU B 46 71.983 -4.317 -7.503 1.00 0.00 H new ATOM 0 HD22 LEU B 46 70.342 -4.622 -6.886 1.00 0.00 H new ATOM 0 HD23 LEU B 46 71.120 -5.801 -7.969 1.00 0.00 H new ATOM 2389 N GLY B 47 67.257 -6.024 -11.338 1.00 0.00 N ATOM 2390 CA GLY B 47 65.952 -6.547 -11.797 1.00 0.00 C ATOM 2391 C GLY B 47 66.295 -7.707 -12.705 1.00 0.00 C ATOM 2392 O GLY B 47 65.578 -8.045 -13.626 1.00 0.00 O ATOM 0 H GLY B 47 67.638 -5.261 -11.897 1.00 0.00 H new ATOM 0 HA2 GLY B 47 65.339 -6.871 -10.956 1.00 0.00 H new ATOM 0 HA3 GLY B 47 65.385 -5.783 -12.329 1.00 0.00 H new ATOM 2396 N LYS B 48 67.439 -8.288 -12.462 1.00 0.00 N ATOM 2397 CA LYS B 48 67.910 -9.399 -13.313 1.00 0.00 C ATOM 2398 C LYS B 48 66.907 -10.552 -13.266 1.00 0.00 C ATOM 2399 O LYS B 48 66.618 -11.176 -14.267 1.00 0.00 O ATOM 2400 CB LYS B 48 69.252 -9.914 -12.785 1.00 0.00 C ATOM 2401 CG LYS B 48 69.854 -10.881 -13.795 1.00 0.00 C ATOM 2402 CD LYS B 48 71.287 -11.197 -13.383 1.00 0.00 C ATOM 2403 CE LYS B 48 71.878 -12.214 -14.358 1.00 0.00 C ATOM 2404 NZ LYS B 48 73.352 -12.306 -14.156 1.00 0.00 N ATOM 0 H LYS B 48 68.068 -8.032 -11.701 1.00 0.00 H new ATOM 0 HA LYS B 48 68.016 -9.036 -14.335 1.00 0.00 H new ATOM 0 HB2 LYS B 48 69.932 -9.080 -12.613 1.00 0.00 H new ATOM 0 HB3 LYS B 48 69.111 -10.413 -11.826 1.00 0.00 H new ATOM 0 HG2 LYS B 48 69.264 -11.796 -13.838 1.00 0.00 H new ATOM 0 HG3 LYS B 48 69.837 -10.443 -14.793 1.00 0.00 H new ATOM 0 HD2 LYS B 48 71.886 -10.287 -13.381 1.00 0.00 H new ATOM 0 HD3 LYS B 48 71.307 -11.594 -12.368 1.00 0.00 H new ATOM 0 HE2 LYS B 48 71.418 -13.190 -14.203 1.00 0.00 H new ATOM 0 HE3 LYS B 48 71.660 -11.918 -15.384 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 73.751 -12.999 -14.821 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 73.784 -11.375 -14.325 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 73.551 -12.608 -13.181 1.00 0.00 H new ATOM 2418 N ARG B 49 66.372 -10.835 -12.102 1.00 0.00 N ATOM 2419 CA ARG B 49 65.380 -11.949 -11.958 1.00 0.00 C ATOM 2420 C ARG B 49 64.083 -11.403 -11.365 1.00 0.00 C ATOM 2421 O ARG B 49 64.081 -10.422 -10.648 1.00 0.00 O ATOM 2422 CB ARG B 49 65.953 -13.038 -11.040 1.00 0.00 C ATOM 2423 CG ARG B 49 66.186 -12.476 -9.635 1.00 0.00 C ATOM 2424 CD ARG B 49 66.926 -13.517 -8.787 1.00 0.00 C ATOM 2425 NE ARG B 49 67.006 -13.048 -7.373 1.00 0.00 N ATOM 2426 CZ ARG B 49 67.325 -13.888 -6.424 1.00 0.00 C ATOM 2427 NH1 ARG B 49 67.594 -15.132 -6.715 1.00 0.00 N ATOM 2428 NH2 ARG B 49 67.378 -13.483 -5.185 1.00 0.00 N ATOM 0 H ARG B 49 66.582 -10.337 -11.237 1.00 0.00 H new ATOM 0 HA ARG B 49 65.175 -12.380 -12.938 1.00 0.00 H new ATOM 0 HB2 ARG B 49 65.266 -13.883 -10.992 1.00 0.00 H new ATOM 0 HB3 ARG B 49 66.891 -13.413 -11.450 1.00 0.00 H new ATOM 0 HG2 ARG B 49 66.768 -11.556 -9.691 1.00 0.00 H new ATOM 0 HG3 ARG B 49 65.233 -12.223 -9.170 1.00 0.00 H new ATOM 0 HD2 ARG B 49 66.407 -14.474 -8.834 1.00 0.00 H new ATOM 0 HD3 ARG B 49 67.928 -13.678 -9.184 1.00 0.00 H new ATOM 0 HE ARG B 49 66.812 -12.072 -7.147 1.00 0.00 H new ATOM 0 HH11 ARG B 49 67.555 -15.449 -7.684 1.00 0.00 H new ATOM 0 HH12 ARG B 49 67.843 -15.787 -5.974 1.00 0.00 H new ATOM 0 HH21 ARG B 49 67.170 -12.511 -4.957 1.00 0.00 H new ATOM 0 HH22 ARG B 49 67.627 -14.139 -4.444 1.00 0.00 H new ATOM 2442 N THR B 50 62.978 -12.026 -11.669 1.00 0.00 N ATOM 2443 CA THR B 50 61.676 -11.545 -11.133 1.00 0.00 C ATOM 2444 C THR B 50 61.655 -11.740 -9.615 1.00 0.00 C ATOM 2445 O THR B 50 60.822 -11.193 -8.920 1.00 0.00 O ATOM 2446 CB THR B 50 60.539 -12.339 -11.782 1.00 0.00 C ATOM 2447 OG1 THR B 50 60.773 -12.432 -13.181 1.00 0.00 O ATOM 2448 CG2 THR B 50 59.208 -11.626 -11.534 1.00 0.00 C ATOM 0 H THR B 50 62.922 -12.850 -12.268 1.00 0.00 H new ATOM 0 HA THR B 50 61.546 -10.487 -11.360 1.00 0.00 H new ATOM 0 HB THR B 50 60.498 -13.338 -11.349 1.00 0.00 H new ATOM 0 HG1 THR B 50 60.048 -12.941 -13.601 1.00 0.00 H new ATOM 0 HG21 THR B 50 58.400 -12.193 -11.997 1.00 0.00 H new ATOM 0 HG22 THR B 50 59.030 -11.550 -10.461 1.00 0.00 H new ATOM 0 HG23 THR B 50 59.244 -10.626 -11.967 1.00 0.00 H new ATOM 2456 N ASP B 51 62.578 -12.507 -9.096 1.00 0.00 N ATOM 2457 CA ASP B 51 62.629 -12.731 -7.624 1.00 0.00 C ATOM 2458 C ASP B 51 63.399 -11.582 -6.968 1.00 0.00 C ATOM 2459 O ASP B 51 64.267 -11.793 -6.144 1.00 0.00 O ATOM 2460 CB ASP B 51 63.339 -14.054 -7.329 1.00 0.00 C ATOM 2461 CG ASP B 51 62.431 -15.226 -7.712 1.00 0.00 C ATOM 2462 OD1 ASP B 51 61.245 -15.000 -7.887 1.00 0.00 O ATOM 2463 OD2 ASP B 51 62.938 -16.331 -7.826 1.00 0.00 O ATOM 0 H ASP B 51 63.300 -12.989 -9.631 1.00 0.00 H new ATOM 0 HA ASP B 51 61.615 -12.770 -7.225 1.00 0.00 H new ATOM 0 HB2 ASP B 51 64.273 -14.108 -7.887 1.00 0.00 H new ATOM 0 HB3 ASP B 51 63.596 -14.112 -6.271 1.00 0.00 H new ATOM 2468 N GLU B 52 63.087 -10.369 -7.329 1.00 0.00 N ATOM 2469 CA GLU B 52 63.799 -9.199 -6.734 1.00 0.00 C ATOM 2470 C GLU B 52 63.586 -9.206 -5.215 1.00 0.00 C ATOM 2471 O GLU B 52 64.490 -8.930 -4.458 1.00 0.00 O ATOM 2472 CB GLU B 52 63.214 -7.909 -7.316 1.00 0.00 C ATOM 2473 CG GLU B 52 63.603 -7.769 -8.785 1.00 0.00 C ATOM 2474 CD GLU B 52 62.929 -6.522 -9.363 1.00 0.00 C ATOM 2475 OE1 GLU B 52 62.188 -5.884 -8.634 1.00 0.00 O ATOM 2476 OE2 GLU B 52 63.161 -6.228 -10.523 1.00 0.00 O ATOM 0 H GLU B 52 62.367 -10.135 -8.013 1.00 0.00 H new ATOM 0 HA GLU B 52 64.864 -9.257 -6.960 1.00 0.00 H new ATOM 0 HB2 GLU B 52 62.128 -7.917 -7.219 1.00 0.00 H new ATOM 0 HB3 GLU B 52 63.578 -7.050 -6.753 1.00 0.00 H new ATOM 0 HG2 GLU B 52 64.686 -7.691 -8.882 1.00 0.00 H new ATOM 0 HG3 GLU B 52 63.297 -8.655 -9.342 1.00 0.00 H new ATOM 2483 N ALA B 53 62.387 -9.533 -4.799 1.00 0.00 N ATOM 2484 CA ALA B 53 62.003 -9.599 -3.344 1.00 0.00 C ATOM 2485 C ALA B 53 63.025 -8.936 -2.410 1.00 0.00 C ATOM 2486 O ALA B 53 62.792 -7.866 -1.889 1.00 0.00 O ATOM 2487 CB ALA B 53 61.848 -11.062 -2.949 1.00 0.00 C ATOM 0 H ALA B 53 61.623 -9.768 -5.433 1.00 0.00 H new ATOM 0 HA ALA B 53 61.070 -9.047 -3.232 1.00 0.00 H new ATOM 0 HB1 ALA B 53 61.570 -11.127 -1.897 1.00 0.00 H new ATOM 0 HB2 ALA B 53 61.071 -11.523 -3.559 1.00 0.00 H new ATOM 0 HB3 ALA B 53 62.792 -11.584 -3.108 1.00 0.00 H new ATOM 2493 N ALA B 54 64.143 -9.566 -2.164 1.00 0.00 N ATOM 2494 CA ALA B 54 65.134 -8.953 -1.234 1.00 0.00 C ATOM 2495 C ALA B 54 65.546 -7.582 -1.755 1.00 0.00 C ATOM 2496 O ALA B 54 65.710 -6.644 -1.007 1.00 0.00 O ATOM 2497 CB ALA B 54 66.367 -9.835 -1.110 1.00 0.00 C ATOM 0 H ALA B 54 64.410 -10.467 -2.561 1.00 0.00 H new ATOM 0 HA ALA B 54 64.672 -8.852 -0.252 1.00 0.00 H new ATOM 0 HB1 ALA B 54 67.079 -9.371 -0.427 1.00 0.00 H new ATOM 0 HB2 ALA B 54 66.078 -10.812 -0.724 1.00 0.00 H new ATOM 0 HB3 ALA B 54 66.829 -9.954 -2.090 1.00 0.00 H new ATOM 2503 N PHE B 55 65.704 -7.441 -3.029 1.00 0.00 N ATOM 2504 CA PHE B 55 66.079 -6.111 -3.554 1.00 0.00 C ATOM 2505 C PHE B 55 64.917 -5.163 -3.283 1.00 0.00 C ATOM 2506 O PHE B 55 65.099 -3.996 -3.002 1.00 0.00 O ATOM 2507 CB PHE B 55 66.338 -6.206 -5.048 1.00 0.00 C ATOM 2508 CG PHE B 55 67.613 -6.982 -5.282 1.00 0.00 C ATOM 2509 CD1 PHE B 55 68.844 -6.315 -5.290 1.00 0.00 C ATOM 2510 CD2 PHE B 55 67.568 -8.367 -5.479 1.00 0.00 C ATOM 2511 CE1 PHE B 55 70.028 -7.032 -5.498 1.00 0.00 C ATOM 2512 CE2 PHE B 55 68.752 -9.083 -5.686 1.00 0.00 C ATOM 2513 CZ PHE B 55 69.982 -8.416 -5.695 1.00 0.00 C ATOM 0 H PHE B 55 65.592 -8.178 -3.725 1.00 0.00 H new ATOM 0 HA PHE B 55 66.986 -5.746 -3.071 1.00 0.00 H new ATOM 0 HB2 PHE B 55 65.502 -6.699 -5.544 1.00 0.00 H new ATOM 0 HB3 PHE B 55 66.421 -5.208 -5.479 1.00 0.00 H new ATOM 0 HD1 PHE B 55 68.880 -5.247 -5.136 1.00 0.00 H new ATOM 0 HD2 PHE B 55 66.619 -8.883 -5.471 1.00 0.00 H new ATOM 0 HE1 PHE B 55 70.977 -6.517 -5.506 1.00 0.00 H new ATOM 0 HE2 PHE B 55 68.717 -10.152 -5.839 1.00 0.00 H new ATOM 0 HZ PHE B 55 70.896 -8.970 -5.854 1.00 0.00 H new ATOM 2523 N GLN B 56 63.715 -5.670 -3.344 1.00 0.00 N ATOM 2524 CA GLN B 56 62.533 -4.810 -3.062 1.00 0.00 C ATOM 2525 C GLN B 56 62.532 -4.486 -1.578 1.00 0.00 C ATOM 2526 O GLN B 56 62.008 -3.482 -1.145 1.00 0.00 O ATOM 2527 CB GLN B 56 61.243 -5.539 -3.437 1.00 0.00 C ATOM 2528 CG GLN B 56 61.146 -5.665 -4.959 1.00 0.00 C ATOM 2529 CD GLN B 56 59.872 -6.424 -5.320 1.00 0.00 C ATOM 2530 OE1 GLN B 56 59.373 -7.201 -4.533 1.00 0.00 O ATOM 2531 NE2 GLN B 56 59.319 -6.235 -6.487 1.00 0.00 N ATOM 0 H GLN B 56 63.502 -6.640 -3.576 1.00 0.00 H new ATOM 0 HA GLN B 56 62.588 -3.895 -3.652 1.00 0.00 H new ATOM 0 HB2 GLN B 56 61.226 -6.528 -2.979 1.00 0.00 H new ATOM 0 HB3 GLN B 56 60.381 -4.994 -3.052 1.00 0.00 H new ATOM 0 HG2 GLN B 56 61.137 -4.676 -5.418 1.00 0.00 H new ATOM 0 HG3 GLN B 56 62.019 -6.189 -5.349 1.00 0.00 H new ATOM 0 HE21 GLN B 56 59.737 -5.582 -7.150 1.00 0.00 H new ATOM 0 HE22 GLN B 56 58.469 -6.740 -6.736 1.00 0.00 H new ATOM 2540 N LYS B 57 63.143 -5.333 -0.805 1.00 0.00 N ATOM 2541 CA LYS B 57 63.219 -5.082 0.661 1.00 0.00 C ATOM 2542 C LYS B 57 64.187 -3.927 0.866 1.00 0.00 C ATOM 2543 O LYS B 57 63.953 -3.028 1.651 1.00 0.00 O ATOM 2544 CB LYS B 57 63.674 -6.356 1.396 1.00 0.00 C ATOM 2545 CG LYS B 57 64.316 -6.013 2.749 1.00 0.00 C ATOM 2546 CD LYS B 57 64.217 -7.210 3.703 1.00 0.00 C ATOM 2547 CE LYS B 57 64.996 -8.393 3.126 1.00 0.00 C ATOM 2548 NZ LYS B 57 66.364 -7.942 2.746 1.00 0.00 N ATOM 0 H LYS B 57 63.595 -6.191 -1.123 1.00 0.00 H new ATOM 0 HA LYS B 57 62.244 -4.820 1.073 1.00 0.00 H new ATOM 0 HB2 LYS B 57 62.820 -7.015 1.552 1.00 0.00 H new ATOM 0 HB3 LYS B 57 64.388 -6.901 0.778 1.00 0.00 H new ATOM 0 HG2 LYS B 57 65.361 -5.740 2.605 1.00 0.00 H new ATOM 0 HG3 LYS B 57 63.818 -5.148 3.187 1.00 0.00 H new ATOM 0 HD2 LYS B 57 64.616 -6.942 4.681 1.00 0.00 H new ATOM 0 HD3 LYS B 57 63.173 -7.486 3.849 1.00 0.00 H new ATOM 0 HE2 LYS B 57 65.056 -9.197 3.860 1.00 0.00 H new ATOM 0 HE3 LYS B 57 64.478 -8.795 2.255 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 66.995 -8.766 2.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 66.327 -7.458 1.826 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 66.726 -7.287 3.468 1.00 0.00 H new ATOM 2562 N LEU B 58 65.250 -3.921 0.115 1.00 0.00 N ATOM 2563 CA LEU B 58 66.205 -2.793 0.207 1.00 0.00 C ATOM 2564 C LEU B 58 65.432 -1.560 -0.213 1.00 0.00 C ATOM 2565 O LEU B 58 65.452 -0.535 0.440 1.00 0.00 O ATOM 2566 CB LEU B 58 67.384 -3.029 -0.741 1.00 0.00 C ATOM 2567 CG LEU B 58 68.377 -1.859 -0.654 1.00 0.00 C ATOM 2568 CD1 LEU B 58 68.936 -1.738 0.778 1.00 0.00 C ATOM 2569 CD2 LEU B 58 69.522 -2.109 -1.646 1.00 0.00 C ATOM 0 H LEU B 58 65.496 -4.648 -0.556 1.00 0.00 H new ATOM 0 HA LEU B 58 66.610 -2.686 1.213 1.00 0.00 H new ATOM 0 HB2 LEU B 58 67.886 -3.962 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU B 58 67.022 -3.133 -1.764 1.00 0.00 H new ATOM 0 HG LEU B 58 67.868 -0.928 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU B 58 69.638 -0.905 0.825 1.00 0.00 H new ATOM 0 HD12 LEU B 58 68.117 -1.562 1.475 1.00 0.00 H new ATOM 0 HD13 LEU B 58 69.449 -2.661 1.047 1.00 0.00 H new ATOM 0 HD21 LEU B 58 70.234 -1.286 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU B 58 70.026 -3.041 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU B 58 69.119 -2.178 -2.657 1.00 0.00 H new ATOM 2581 N MET B 59 64.706 -1.682 -1.288 1.00 0.00 N ATOM 2582 CA MET B 59 63.871 -0.548 -1.749 1.00 0.00 C ATOM 2583 C MET B 59 62.803 -0.297 -0.696 1.00 0.00 C ATOM 2584 O MET B 59 62.457 0.825 -0.394 1.00 0.00 O ATOM 2585 CB MET B 59 63.205 -0.890 -3.083 1.00 0.00 C ATOM 2586 CG MET B 59 62.445 0.328 -3.615 1.00 0.00 C ATOM 2587 SD MET B 59 60.828 0.426 -2.803 1.00 0.00 S ATOM 2588 CE MET B 59 60.209 1.871 -3.697 1.00 0.00 C ATOM 0 H MET B 59 64.657 -2.521 -1.866 1.00 0.00 H new ATOM 0 HA MET B 59 64.489 0.339 -1.891 1.00 0.00 H new ATOM 0 HB2 MET B 59 63.959 -1.203 -3.806 1.00 0.00 H new ATOM 0 HB3 MET B 59 62.520 -1.728 -2.953 1.00 0.00 H new ATOM 0 HG2 MET B 59 63.015 1.238 -3.427 1.00 0.00 H new ATOM 0 HG3 MET B 59 62.318 0.249 -4.695 1.00 0.00 H new ATOM 0 HE1 MET B 59 59.205 2.113 -3.348 1.00 0.00 H new ATOM 0 HE2 MET B 59 60.869 2.720 -3.519 1.00 0.00 H new ATOM 0 HE3 MET B 59 60.179 1.653 -4.765 1.00 0.00 H new ATOM 2598 N SER B 60 62.280 -1.339 -0.124 1.00 0.00 N ATOM 2599 CA SER B 60 61.240 -1.141 0.926 1.00 0.00 C ATOM 2600 C SER B 60 61.834 -0.248 2.005 1.00 0.00 C ATOM 2601 O SER B 60 61.132 0.456 2.700 1.00 0.00 O ATOM 2602 CB SER B 60 60.829 -2.480 1.530 1.00 0.00 C ATOM 2603 OG SER B 60 59.676 -2.294 2.342 1.00 0.00 O ATOM 0 H SER B 60 62.520 -2.308 -0.331 1.00 0.00 H new ATOM 0 HA SER B 60 60.352 -0.682 0.491 1.00 0.00 H new ATOM 0 HB2 SER B 60 60.619 -3.200 0.739 1.00 0.00 H new ATOM 0 HB3 SER B 60 61.645 -2.890 2.125 1.00 0.00 H new ATOM 0 HG SER B 60 59.408 -3.153 2.731 1.00 0.00 H new ATOM 2609 N ASN B 61 63.130 -0.236 2.127 1.00 0.00 N ATOM 2610 CA ASN B 61 63.745 0.661 3.133 1.00 0.00 C ATOM 2611 C ASN B 61 63.575 2.063 2.588 1.00 0.00 C ATOM 2612 O ASN B 61 63.441 3.025 3.312 1.00 0.00 O ATOM 2613 CB ASN B 61 65.230 0.333 3.318 1.00 0.00 C ATOM 2614 CG ASN B 61 65.734 0.980 4.610 1.00 0.00 C ATOM 2615 OD1 ASN B 61 65.898 2.274 4.657 1.00 0.00 O flip ATOM 2616 ND2 ASN B 61 65.973 0.302 5.589 1.00 0.00 N flip ATOM 0 H ASN B 61 63.780 -0.801 1.581 1.00 0.00 H new ATOM 0 HA ASN B 61 63.275 0.548 4.110 1.00 0.00 H new ATOM 0 HB2 ASN B 61 65.373 -0.747 3.359 1.00 0.00 H new ATOM 0 HB3 ASN B 61 65.804 0.699 2.467 1.00 0.00 H new ATOM 0 HD21 ASN B 61 65.845 -0.709 5.553 1.00 0.00 H new ATOM 0 HD22 ASN B 61 66.302 0.744 6.448 1.00 0.00 H new ATOM 2623 N LEU B 62 63.531 2.175 1.292 1.00 0.00 N ATOM 2624 CA LEU B 62 63.313 3.503 0.686 1.00 0.00 C ATOM 2625 C LEU B 62 61.962 3.975 1.218 1.00 0.00 C ATOM 2626 O LEU B 62 61.729 5.144 1.449 1.00 0.00 O ATOM 2627 CB LEU B 62 63.292 3.364 -0.848 1.00 0.00 C ATOM 2628 CG LEU B 62 63.924 4.588 -1.494 1.00 0.00 C ATOM 2629 CD1 LEU B 62 63.958 4.391 -3.008 1.00 0.00 C ATOM 2630 CD2 LEU B 62 63.106 5.836 -1.140 1.00 0.00 C ATOM 0 H LEU B 62 63.637 1.404 0.633 1.00 0.00 H new ATOM 0 HA LEU B 62 64.099 4.216 0.934 1.00 0.00 H new ATOM 0 HB2 LEU B 62 63.833 2.466 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU B 62 62.266 3.249 -1.196 1.00 0.00 H new ATOM 0 HG LEU B 62 64.941 4.719 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU B 62 64.410 5.264 -3.478 1.00 0.00 H new ATOM 0 HD12 LEU B 62 64.547 3.505 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU B 62 62.942 4.263 -3.381 1.00 0.00 H new ATOM 0 HD21 LEU B 62 63.560 6.712 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU B 62 62.086 5.719 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU B 62 63.090 5.965 -0.058 1.00 0.00 H new ATOM 2642 N ASP B 63 61.090 3.032 1.461 1.00 0.00 N ATOM 2643 CA ASP B 63 59.762 3.356 2.033 1.00 0.00 C ATOM 2644 C ASP B 63 59.910 3.398 3.559 1.00 0.00 C ATOM 2645 O ASP B 63 58.940 3.469 4.288 1.00 0.00 O ATOM 2646 CB ASP B 63 58.739 2.283 1.638 1.00 0.00 C ATOM 2647 CG ASP B 63 58.441 2.389 0.141 1.00 0.00 C ATOM 2648 OD1 ASP B 63 58.703 3.439 -0.422 1.00 0.00 O ATOM 2649 OD2 ASP B 63 57.951 1.421 -0.417 1.00 0.00 O ATOM 0 H ASP B 63 61.249 2.040 1.283 1.00 0.00 H new ATOM 0 HA ASP B 63 59.411 4.316 1.654 1.00 0.00 H new ATOM 0 HB2 ASP B 63 59.127 1.292 1.873 1.00 0.00 H new ATOM 0 HB3 ASP B 63 57.821 2.411 2.212 1.00 0.00 H new ATOM 2654 N SER B 64 61.132 3.344 4.047 1.00 0.00 N ATOM 2655 CA SER B 64 61.351 3.370 5.525 1.00 0.00 C ATOM 2656 C SER B 64 60.824 4.689 6.092 1.00 0.00 C ATOM 2657 O SER B 64 60.676 5.663 5.382 1.00 0.00 O ATOM 2658 CB SER B 64 62.845 3.279 5.856 1.00 0.00 C ATOM 2659 OG SER B 64 63.533 4.361 5.241 1.00 0.00 O ATOM 0 H SER B 64 61.981 3.283 3.484 1.00 0.00 H new ATOM 0 HA SER B 64 60.827 2.519 5.961 1.00 0.00 H new ATOM 0 HB2 SER B 64 62.992 3.307 6.936 1.00 0.00 H new ATOM 0 HB3 SER B 64 63.249 2.330 5.504 1.00 0.00 H new ATOM 0 HG SER B 64 63.713 4.143 4.303 1.00 0.00 H new ATOM 2665 N ASN B 65 60.561 4.738 7.369 1.00 0.00 N ATOM 2666 CA ASN B 65 60.068 6.005 7.978 1.00 0.00 C ATOM 2667 C ASN B 65 61.245 6.973 8.130 1.00 0.00 C ATOM 2668 O ASN B 65 61.074 8.126 8.473 1.00 0.00 O ATOM 2669 CB ASN B 65 59.463 5.719 9.355 1.00 0.00 C ATOM 2670 CG ASN B 65 58.182 4.902 9.191 1.00 0.00 C ATOM 2671 OD1 ASN B 65 57.325 5.245 8.400 1.00 0.00 O ATOM 2672 ND2 ASN B 65 58.013 3.830 9.913 1.00 0.00 N ATOM 0 H ASN B 65 60.666 3.957 8.016 1.00 0.00 H new ATOM 0 HA ASN B 65 59.303 6.445 7.338 1.00 0.00 H new ATOM 0 HB2 ASN B 65 60.178 5.174 9.972 1.00 0.00 H new ATOM 0 HB3 ASN B 65 59.246 6.655 9.870 1.00 0.00 H new ATOM 0 HD21 ASN B 65 57.161 3.278 9.815 1.00 0.00 H new ATOM 0 HD22 ASN B 65 58.733 3.543 10.576 1.00 0.00 H new ATOM 2679 N ARG B 66 62.442 6.501 7.891 1.00 0.00 N ATOM 2680 CA ARG B 66 63.645 7.375 8.032 1.00 0.00 C ATOM 2681 C ARG B 66 63.431 8.721 7.330 1.00 0.00 C ATOM 2682 O ARG B 66 62.406 8.971 6.729 1.00 0.00 O ATOM 2683 CB ARG B 66 64.864 6.667 7.432 1.00 0.00 C ATOM 2684 CG ARG B 66 65.250 5.483 8.323 1.00 0.00 C ATOM 2685 CD ARG B 66 66.506 4.810 7.762 1.00 0.00 C ATOM 2686 NE ARG B 66 66.739 3.499 8.456 1.00 0.00 N ATOM 2687 CZ ARG B 66 66.843 3.413 9.759 1.00 0.00 C ATOM 2688 NH1 ARG B 66 66.947 4.486 10.494 1.00 0.00 N ATOM 2689 NH2 ARG B 66 66.903 2.237 10.325 1.00 0.00 N ATOM 0 H ARG B 66 62.638 5.542 7.603 1.00 0.00 H new ATOM 0 HA ARG B 66 63.813 7.565 9.092 1.00 0.00 H new ATOM 0 HB2 ARG B 66 64.638 6.320 6.424 1.00 0.00 H new ATOM 0 HB3 ARG B 66 65.699 7.363 7.350 1.00 0.00 H new ATOM 0 HG2 ARG B 66 65.432 5.825 9.342 1.00 0.00 H new ATOM 0 HG3 ARG B 66 64.430 4.766 8.369 1.00 0.00 H new ATOM 0 HD2 ARG B 66 66.394 4.649 6.690 1.00 0.00 H new ATOM 0 HD3 ARG B 66 67.369 5.461 7.898 1.00 0.00 H new ATOM 0 HE ARG B 66 66.819 2.650 7.896 1.00 0.00 H new ATOM 0 HH11 ARG B 66 66.948 5.407 10.055 1.00 0.00 H new ATOM 0 HH12 ARG B 66 67.027 4.404 11.508 1.00 0.00 H new ATOM 0 HH21 ARG B 66 66.869 1.393 9.753 1.00 0.00 H new ATOM 0 HH22 ARG B 66 66.984 2.163 11.339 1.00 0.00 H new ATOM 2703 N ASP B 67 64.397 9.595 7.424 1.00 0.00 N ATOM 2704 CA ASP B 67 64.270 10.939 6.790 1.00 0.00 C ATOM 2705 C ASP B 67 64.385 10.819 5.268 1.00 0.00 C ATOM 2706 O ASP B 67 64.368 11.805 4.560 1.00 0.00 O ATOM 2707 CB ASP B 67 65.376 11.858 7.314 1.00 0.00 C ATOM 2708 CG ASP B 67 65.104 12.198 8.781 1.00 0.00 C ATOM 2709 OD1 ASP B 67 63.972 12.036 9.208 1.00 0.00 O ATOM 2710 OD2 ASP B 67 66.035 12.612 9.455 1.00 0.00 O ATOM 0 H ASP B 67 65.275 9.434 7.917 1.00 0.00 H new ATOM 0 HA ASP B 67 63.295 11.358 7.040 1.00 0.00 H new ATOM 0 HB2 ASP B 67 66.346 11.370 7.216 1.00 0.00 H new ATOM 0 HB3 ASP B 67 65.417 12.771 6.720 1.00 0.00 H new ATOM 2715 N ASN B 68 64.500 9.618 4.766 1.00 0.00 N ATOM 2716 CA ASN B 68 64.605 9.410 3.287 1.00 0.00 C ATOM 2717 C ASN B 68 65.813 10.163 2.716 1.00 0.00 C ATOM 2718 O ASN B 68 65.748 10.703 1.629 1.00 0.00 O ATOM 2719 CB ASN B 68 63.328 9.907 2.593 1.00 0.00 C ATOM 2720 CG ASN B 68 62.113 9.144 3.127 1.00 0.00 C ATOM 2721 OD1 ASN B 68 61.105 9.740 3.448 1.00 0.00 O ATOM 2722 ND2 ASN B 68 62.165 7.845 3.234 1.00 0.00 N ATOM 0 H ASN B 68 64.526 8.763 5.321 1.00 0.00 H new ATOM 0 HA ASN B 68 64.732 8.343 3.104 1.00 0.00 H new ATOM 0 HB2 ASN B 68 63.202 10.976 2.766 1.00 0.00 H new ATOM 0 HB3 ASN B 68 63.411 9.767 1.515 1.00 0.00 H new ATOM 0 HD21 ASN B 68 61.359 7.330 3.587 1.00 0.00 H new ATOM 0 HD22 ASN B 68 63.012 7.345 2.964 1.00 0.00 H new ATOM 2729 N GLU B 69 66.914 10.194 3.429 1.00 0.00 N ATOM 2730 CA GLU B 69 68.141 10.902 2.920 1.00 0.00 C ATOM 2731 C GLU B 69 69.324 9.927 2.903 1.00 0.00 C ATOM 2732 O GLU B 69 69.333 8.933 3.604 1.00 0.00 O ATOM 2733 CB GLU B 69 68.464 12.089 3.829 1.00 0.00 C ATOM 2734 CG GLU B 69 69.407 13.056 3.110 1.00 0.00 C ATOM 2735 CD GLU B 69 68.657 13.748 1.970 1.00 0.00 C ATOM 2736 OE1 GLU B 69 67.471 13.988 2.127 1.00 0.00 O ATOM 2737 OE2 GLU B 69 69.281 14.026 0.960 1.00 0.00 O ATOM 0 H GLU B 69 67.020 9.759 4.345 1.00 0.00 H new ATOM 0 HA GLU B 69 67.957 11.265 1.909 1.00 0.00 H new ATOM 0 HB2 GLU B 69 67.545 12.604 4.109 1.00 0.00 H new ATOM 0 HB3 GLU B 69 68.925 11.736 4.752 1.00 0.00 H new ATOM 0 HG2 GLU B 69 69.788 13.798 3.812 1.00 0.00 H new ATOM 0 HG3 GLU B 69 70.269 12.516 2.718 1.00 0.00 H new ATOM 2744 N VAL B 70 70.315 10.200 2.092 1.00 0.00 N ATOM 2745 CA VAL B 70 71.506 9.298 1.996 1.00 0.00 C ATOM 2746 C VAL B 70 72.779 10.074 2.302 1.00 0.00 C ATOM 2747 O VAL B 70 73.225 10.891 1.522 1.00 0.00 O ATOM 2748 CB VAL B 70 71.595 8.769 0.561 1.00 0.00 C ATOM 2749 CG1 VAL B 70 72.413 7.485 0.517 1.00 0.00 C ATOM 2750 CG2 VAL B 70 70.200 8.493 0.026 1.00 0.00 C ATOM 0 H VAL B 70 70.351 11.019 1.485 1.00 0.00 H new ATOM 0 HA VAL B 70 71.401 8.482 2.711 1.00 0.00 H new ATOM 0 HB VAL B 70 72.083 9.524 -0.056 1.00 0.00 H new ATOM 0 HG11 VAL B 70 72.466 7.123 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL B 70 73.420 7.682 0.885 1.00 0.00 H new ATOM 0 HG13 VAL B 70 71.939 6.730 1.144 1.00 0.00 H new ATOM 0 HG21 VAL B 70 70.270 8.117 -0.995 1.00 0.00 H new ATOM 0 HG22 VAL B 70 69.710 7.749 0.654 1.00 0.00 H new ATOM 0 HG23 VAL B 70 69.618 9.415 0.034 1.00 0.00 H new ATOM 2760 N ASP B 71 73.403 9.778 3.394 1.00 0.00 N ATOM 2761 CA ASP B 71 74.689 10.448 3.702 1.00 0.00 C ATOM 2762 C ASP B 71 75.736 9.719 2.874 1.00 0.00 C ATOM 2763 O ASP B 71 75.460 8.669 2.329 1.00 0.00 O ATOM 2764 CB ASP B 71 75.029 10.307 5.191 1.00 0.00 C ATOM 2765 CG ASP B 71 74.067 11.157 6.023 1.00 0.00 C ATOM 2766 OD1 ASP B 71 73.459 12.052 5.460 1.00 0.00 O ATOM 2767 OD2 ASP B 71 73.956 10.900 7.210 1.00 0.00 O ATOM 0 H ASP B 71 73.083 9.103 4.088 1.00 0.00 H new ATOM 0 HA ASP B 71 74.645 11.513 3.474 1.00 0.00 H new ATOM 0 HB2 ASP B 71 74.959 9.262 5.492 1.00 0.00 H new ATOM 0 HB3 ASP B 71 76.057 10.623 5.371 1.00 0.00 H new ATOM 2772 N PHE B 72 76.926 10.221 2.760 1.00 0.00 N ATOM 2773 CA PHE B 72 77.920 9.483 1.954 1.00 0.00 C ATOM 2774 C PHE B 72 78.021 8.071 2.529 1.00 0.00 C ATOM 2775 O PHE B 72 78.142 7.094 1.816 1.00 0.00 O ATOM 2776 CB PHE B 72 79.280 10.168 2.045 1.00 0.00 C ATOM 2777 CG PHE B 72 80.198 9.521 1.050 1.00 0.00 C ATOM 2778 CD1 PHE B 72 80.893 8.358 1.391 1.00 0.00 C ATOM 2779 CD2 PHE B 72 80.339 10.077 -0.224 1.00 0.00 C ATOM 2780 CE1 PHE B 72 81.732 7.750 0.455 1.00 0.00 C ATOM 2781 CE2 PHE B 72 81.178 9.472 -1.159 1.00 0.00 C ATOM 2782 CZ PHE B 72 81.877 8.307 -0.823 1.00 0.00 C ATOM 0 H PHE B 72 77.248 11.092 3.181 1.00 0.00 H new ATOM 0 HA PHE B 72 77.616 9.457 0.907 1.00 0.00 H new ATOM 0 HB2 PHE B 72 79.184 11.234 1.837 1.00 0.00 H new ATOM 0 HB3 PHE B 72 79.686 10.076 3.053 1.00 0.00 H new ATOM 0 HD1 PHE B 72 80.782 7.930 2.376 1.00 0.00 H new ATOM 0 HD2 PHE B 72 79.798 10.975 -0.484 1.00 0.00 H new ATOM 0 HE1 PHE B 72 82.269 6.850 0.716 1.00 0.00 H new ATOM 0 HE2 PHE B 72 81.289 9.903 -2.143 1.00 0.00 H new ATOM 0 HZ PHE B 72 82.527 7.838 -1.547 1.00 0.00 H new ATOM 2792 N GLN B 73 77.967 7.976 3.826 1.00 0.00 N ATOM 2793 CA GLN B 73 78.049 6.657 4.500 1.00 0.00 C ATOM 2794 C GLN B 73 76.790 5.820 4.216 1.00 0.00 C ATOM 2795 O GLN B 73 76.878 4.626 4.021 1.00 0.00 O ATOM 2796 CB GLN B 73 78.195 6.878 6.008 1.00 0.00 C ATOM 2797 CG GLN B 73 78.365 5.536 6.719 1.00 0.00 C ATOM 2798 CD GLN B 73 78.557 5.775 8.218 1.00 0.00 C ATOM 2799 OE1 GLN B 73 78.886 6.870 8.635 1.00 0.00 O ATOM 2800 NE2 GLN B 73 78.351 4.796 9.056 1.00 0.00 N ATOM 0 H GLN B 73 77.868 8.772 4.457 1.00 0.00 H new ATOM 0 HA GLN B 73 78.913 6.114 4.116 1.00 0.00 H new ATOM 0 HB2 GLN B 73 79.055 7.517 6.209 1.00 0.00 H new ATOM 0 HB3 GLN B 73 77.317 7.395 6.395 1.00 0.00 H new ATOM 0 HG2 GLN B 73 77.490 4.909 6.549 1.00 0.00 H new ATOM 0 HG3 GLN B 73 79.224 5.003 6.312 1.00 0.00 H new ATOM 0 HE21 GLN B 73 78.075 3.877 8.709 1.00 0.00 H new ATOM 0 HE22 GLN B 73 78.466 4.950 10.058 1.00 0.00 H new ATOM 2809 N GLU B 74 75.612 6.409 4.206 1.00 0.00 N ATOM 2810 CA GLU B 74 74.400 5.590 3.956 1.00 0.00 C ATOM 2811 C GLU B 74 74.434 5.043 2.536 1.00 0.00 C ATOM 2812 O GLU B 74 74.061 3.915 2.291 1.00 0.00 O ATOM 2813 CB GLU B 74 73.148 6.442 4.163 1.00 0.00 C ATOM 2814 CG GLU B 74 72.992 6.782 5.647 1.00 0.00 C ATOM 2815 CD GLU B 74 72.674 5.514 6.438 1.00 0.00 C ATOM 2816 OE1 GLU B 74 71.678 4.881 6.130 1.00 0.00 O ATOM 2817 OE2 GLU B 74 73.434 5.195 7.337 1.00 0.00 O ATOM 0 H GLU B 74 75.449 7.404 4.358 1.00 0.00 H new ATOM 0 HA GLU B 74 74.378 4.755 4.656 1.00 0.00 H new ATOM 0 HB2 GLU B 74 73.219 7.358 3.576 1.00 0.00 H new ATOM 0 HB3 GLU B 74 72.268 5.904 3.809 1.00 0.00 H new ATOM 0 HG2 GLU B 74 73.908 7.236 6.024 1.00 0.00 H new ATOM 0 HG3 GLU B 74 72.195 7.514 5.780 1.00 0.00 H new ATOM 2824 N TYR B 75 74.876 5.818 1.591 1.00 0.00 N ATOM 2825 CA TYR B 75 74.915 5.296 0.203 1.00 0.00 C ATOM 2826 C TYR B 75 75.822 4.067 0.176 1.00 0.00 C ATOM 2827 O TYR B 75 75.543 3.078 -0.471 1.00 0.00 O ATOM 2828 CB TYR B 75 75.481 6.349 -0.744 1.00 0.00 C ATOM 2829 CG TYR B 75 75.508 5.784 -2.144 1.00 0.00 C ATOM 2830 CD1 TYR B 75 74.345 5.793 -2.930 1.00 0.00 C ATOM 2831 CD2 TYR B 75 76.696 5.255 -2.659 1.00 0.00 C ATOM 2832 CE1 TYR B 75 74.378 5.270 -4.228 1.00 0.00 C ATOM 2833 CE2 TYR B 75 76.726 4.733 -3.955 1.00 0.00 C ATOM 2834 CZ TYR B 75 75.569 4.740 -4.740 1.00 0.00 C ATOM 2835 OH TYR B 75 75.601 4.228 -6.020 1.00 0.00 O ATOM 0 H TYR B 75 75.207 6.775 1.716 1.00 0.00 H new ATOM 0 HA TYR B 75 73.905 5.040 -0.117 1.00 0.00 H new ATOM 0 HB2 TYR B 75 74.870 7.251 -0.713 1.00 0.00 H new ATOM 0 HB3 TYR B 75 76.486 6.634 -0.433 1.00 0.00 H new ATOM 0 HD1 TYR B 75 73.427 6.202 -2.534 1.00 0.00 H new ATOM 0 HD2 TYR B 75 77.591 5.250 -2.055 1.00 0.00 H new ATOM 0 HE1 TYR B 75 73.485 5.275 -4.835 1.00 0.00 H new ATOM 0 HE2 TYR B 75 77.644 4.324 -4.351 1.00 0.00 H new ATOM 0 HH TYR B 75 75.700 3.254 -5.980 1.00 0.00 H new ATOM 2845 N CYS B 76 76.909 4.127 0.888 1.00 0.00 N ATOM 2846 CA CYS B 76 77.843 2.979 0.927 1.00 0.00 C ATOM 2847 C CYS B 76 77.190 1.835 1.696 1.00 0.00 C ATOM 2848 O CYS B 76 77.295 0.686 1.316 1.00 0.00 O ATOM 2849 CB CYS B 76 79.136 3.401 1.626 1.00 0.00 C ATOM 2850 SG CYS B 76 79.688 4.986 0.950 1.00 0.00 S ATOM 0 H CYS B 76 77.190 4.931 1.449 1.00 0.00 H new ATOM 0 HA CYS B 76 78.074 2.652 -0.087 1.00 0.00 H new ATOM 0 HB2 CYS B 76 78.971 3.488 2.700 1.00 0.00 H new ATOM 0 HB3 CYS B 76 79.906 2.643 1.482 1.00 0.00 H new ATOM 0 HG CYS B 76 79.048 5.954 1.536 1.00 0.00 H new ATOM 2856 N VAL B 77 76.500 2.129 2.768 1.00 0.00 N ATOM 2857 CA VAL B 77 75.841 1.032 3.517 1.00 0.00 C ATOM 2858 C VAL B 77 74.859 0.351 2.571 1.00 0.00 C ATOM 2859 O VAL B 77 74.769 -0.859 2.507 1.00 0.00 O ATOM 2860 CB VAL B 77 75.109 1.606 4.729 1.00 0.00 C ATOM 2861 CG1 VAL B 77 74.229 0.526 5.363 1.00 0.00 C ATOM 2862 CG2 VAL B 77 76.141 2.088 5.754 1.00 0.00 C ATOM 0 H VAL B 77 76.369 3.067 3.148 1.00 0.00 H new ATOM 0 HA VAL B 77 76.574 0.310 3.876 1.00 0.00 H new ATOM 0 HB VAL B 77 74.481 2.439 4.414 1.00 0.00 H new ATOM 0 HG11 VAL B 77 73.709 0.941 6.227 1.00 0.00 H new ATOM 0 HG12 VAL B 77 73.498 0.177 4.633 1.00 0.00 H new ATOM 0 HG13 VAL B 77 74.852 -0.310 5.681 1.00 0.00 H new ATOM 0 HG21 VAL B 77 75.627 2.499 6.622 1.00 0.00 H new ATOM 0 HG22 VAL B 77 76.764 1.249 6.065 1.00 0.00 H new ATOM 0 HG23 VAL B 77 76.767 2.859 5.305 1.00 0.00 H new ATOM 2872 N PHE B 78 74.137 1.129 1.810 1.00 0.00 N ATOM 2873 CA PHE B 78 73.185 0.534 0.842 1.00 0.00 C ATOM 2874 C PHE B 78 73.973 -0.131 -0.288 1.00 0.00 C ATOM 2875 O PHE B 78 73.623 -1.203 -0.743 1.00 0.00 O ATOM 2876 CB PHE B 78 72.259 1.630 0.291 1.00 0.00 C ATOM 2877 CG PHE B 78 71.101 1.826 1.250 1.00 0.00 C ATOM 2878 CD1 PHE B 78 71.347 2.251 2.560 1.00 0.00 C ATOM 2879 CD2 PHE B 78 69.790 1.565 0.835 1.00 0.00 C ATOM 2880 CE1 PHE B 78 70.282 2.421 3.452 1.00 0.00 C ATOM 2881 CE2 PHE B 78 68.726 1.731 1.728 1.00 0.00 C ATOM 2882 CZ PHE B 78 68.971 2.160 3.036 1.00 0.00 C ATOM 0 H PHE B 78 74.169 2.148 1.820 1.00 0.00 H new ATOM 0 HA PHE B 78 72.570 -0.219 1.334 1.00 0.00 H new ATOM 0 HB2 PHE B 78 72.810 2.563 0.170 1.00 0.00 H new ATOM 0 HB3 PHE B 78 71.888 1.349 -0.695 1.00 0.00 H new ATOM 0 HD1 PHE B 78 72.359 2.448 2.883 1.00 0.00 H new ATOM 0 HD2 PHE B 78 69.600 1.235 -0.176 1.00 0.00 H new ATOM 0 HE1 PHE B 78 70.472 2.754 4.462 1.00 0.00 H new ATOM 0 HE2 PHE B 78 67.715 1.528 1.407 1.00 0.00 H new ATOM 0 HZ PHE B 78 68.149 2.290 3.725 1.00 0.00 H new ATOM 2892 N LEU B 79 75.042 0.474 -0.745 1.00 0.00 N ATOM 2893 CA LEU B 79 75.822 -0.179 -1.833 1.00 0.00 C ATOM 2894 C LEU B 79 76.459 -1.444 -1.259 1.00 0.00 C ATOM 2895 O LEU B 79 76.561 -2.462 -1.913 1.00 0.00 O ATOM 2896 CB LEU B 79 76.893 0.780 -2.356 1.00 0.00 C ATOM 2897 CG LEU B 79 77.637 0.163 -3.551 1.00 0.00 C ATOM 2898 CD1 LEU B 79 76.675 -0.027 -4.745 1.00 0.00 C ATOM 2899 CD2 LEU B 79 78.787 1.099 -3.961 1.00 0.00 C ATOM 0 H LEU B 79 75.400 1.372 -0.419 1.00 0.00 H new ATOM 0 HA LEU B 79 75.173 -0.439 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU B 79 76.431 1.721 -2.655 1.00 0.00 H new ATOM 0 HB3 LEU B 79 77.601 1.011 -1.560 1.00 0.00 H new ATOM 0 HG LEU B 79 78.032 -0.811 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU B 79 77.217 -0.465 -5.583 1.00 0.00 H new ATOM 0 HD12 LEU B 79 75.860 -0.690 -4.454 1.00 0.00 H new ATOM 0 HD13 LEU B 79 76.268 0.940 -5.042 1.00 0.00 H new ATOM 0 HD21 LEU B 79 79.321 0.670 -4.809 1.00 0.00 H new ATOM 0 HD22 LEU B 79 78.382 2.071 -4.242 1.00 0.00 H new ATOM 0 HD23 LEU B 79 79.474 1.220 -3.123 1.00 0.00 H new ATOM 2911 N SER B 80 76.863 -1.379 -0.021 1.00 0.00 N ATOM 2912 CA SER B 80 77.469 -2.564 0.647 1.00 0.00 C ATOM 2913 C SER B 80 76.381 -3.613 0.826 1.00 0.00 C ATOM 2914 O SER B 80 76.592 -4.792 0.621 1.00 0.00 O ATOM 2915 CB SER B 80 78.022 -2.157 2.015 1.00 0.00 C ATOM 2916 OG SER B 80 79.121 -1.274 1.831 1.00 0.00 O ATOM 0 H SER B 80 76.798 -0.545 0.563 1.00 0.00 H new ATOM 0 HA SER B 80 78.284 -2.963 0.044 1.00 0.00 H new ATOM 0 HB2 SER B 80 77.245 -1.671 2.605 1.00 0.00 H new ATOM 0 HB3 SER B 80 78.339 -3.040 2.570 1.00 0.00 H new ATOM 0 HG SER B 80 78.789 -0.384 1.591 1.00 0.00 H new ATOM 2922 N CYS B 81 75.203 -3.180 1.176 1.00 0.00 N ATOM 2923 CA CYS B 81 74.083 -4.134 1.339 1.00 0.00 C ATOM 2924 C CYS B 81 73.879 -4.820 -0.001 1.00 0.00 C ATOM 2925 O CYS B 81 73.587 -5.997 -0.072 1.00 0.00 O ATOM 2926 CB CYS B 81 72.805 -3.386 1.720 1.00 0.00 C ATOM 2927 SG CYS B 81 72.921 -2.809 3.432 1.00 0.00 S ATOM 0 H CYS B 81 74.971 -2.203 1.356 1.00 0.00 H new ATOM 0 HA CYS B 81 74.309 -4.855 2.125 1.00 0.00 H new ATOM 0 HB2 CYS B 81 72.655 -2.539 1.050 1.00 0.00 H new ATOM 0 HB3 CYS B 81 71.941 -4.041 1.605 1.00 0.00 H new ATOM 0 HG CYS B 81 73.799 -1.854 3.509 1.00 0.00 H new ATOM 2933 N ILE B 82 74.043 -4.091 -1.074 1.00 0.00 N ATOM 2934 CA ILE B 82 73.865 -4.732 -2.406 1.00 0.00 C ATOM 2935 C ILE B 82 75.015 -5.712 -2.626 1.00 0.00 C ATOM 2936 O ILE B 82 74.828 -6.802 -3.127 1.00 0.00 O ATOM 2937 CB ILE B 82 73.846 -3.676 -3.519 1.00 0.00 C ATOM 2938 CG1 ILE B 82 72.573 -2.836 -3.384 1.00 0.00 C ATOM 2939 CG2 ILE B 82 73.858 -4.375 -4.885 1.00 0.00 C ATOM 2940 CD1 ILE B 82 72.628 -1.639 -4.335 1.00 0.00 C ATOM 0 H ILE B 82 74.287 -3.101 -1.086 1.00 0.00 H new ATOM 0 HA ILE B 82 72.912 -5.260 -2.434 1.00 0.00 H new ATOM 0 HB ILE B 82 74.722 -3.033 -3.436 1.00 0.00 H new ATOM 0 HG12 ILE B 82 71.699 -3.448 -3.608 1.00 0.00 H new ATOM 0 HG13 ILE B 82 72.465 -2.489 -2.356 1.00 0.00 H new ATOM 0 HG21 ILE B 82 73.845 -3.626 -5.677 1.00 0.00 H new ATOM 0 HG22 ILE B 82 74.759 -4.982 -4.975 1.00 0.00 H new ATOM 0 HG23 ILE B 82 72.979 -5.014 -4.975 1.00 0.00 H new ATOM 0 HD11 ILE B 82 71.718 -1.049 -4.230 1.00 0.00 H new ATOM 0 HD12 ILE B 82 73.492 -1.020 -4.091 1.00 0.00 H new ATOM 0 HD13 ILE B 82 72.714 -1.994 -5.362 1.00 0.00 H new ATOM 2952 N ALA B 83 76.203 -5.343 -2.235 1.00 0.00 N ATOM 2953 CA ALA B 83 77.353 -6.271 -2.403 1.00 0.00 C ATOM 2954 C ALA B 83 77.099 -7.540 -1.598 1.00 0.00 C ATOM 2955 O ALA B 83 77.218 -8.636 -2.092 1.00 0.00 O ATOM 2956 CB ALA B 83 78.622 -5.615 -1.879 1.00 0.00 C ATOM 0 H ALA B 83 76.426 -4.444 -1.809 1.00 0.00 H new ATOM 0 HA ALA B 83 77.467 -6.510 -3.460 1.00 0.00 H new ATOM 0 HB1 ALA B 83 79.463 -6.298 -2.004 1.00 0.00 H new ATOM 0 HB2 ALA B 83 78.814 -4.698 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA B 83 78.500 -5.379 -0.822 1.00 0.00 H new ATOM 2962 N MET B 84 76.741 -7.399 -0.354 1.00 0.00 N ATOM 2963 CA MET B 84 76.476 -8.607 0.473 1.00 0.00 C ATOM 2964 C MET B 84 75.254 -9.318 -0.079 1.00 0.00 C ATOM 2965 O MET B 84 75.143 -10.526 -0.014 1.00 0.00 O ATOM 2966 CB MET B 84 76.248 -8.206 1.928 1.00 0.00 C ATOM 2967 CG MET B 84 77.569 -7.724 2.534 1.00 0.00 C ATOM 2968 SD MET B 84 77.304 -7.246 4.261 1.00 0.00 S ATOM 2969 CE MET B 84 76.176 -5.867 3.946 1.00 0.00 C ATOM 0 H MET B 84 76.621 -6.506 0.124 1.00 0.00 H new ATOM 0 HA MET B 84 77.335 -9.277 0.436 1.00 0.00 H new ATOM 0 HB2 MET B 84 75.499 -7.417 1.986 1.00 0.00 H new ATOM 0 HB3 MET B 84 75.863 -9.054 2.495 1.00 0.00 H new ATOM 0 HG2 MET B 84 78.318 -8.514 2.475 1.00 0.00 H new ATOM 0 HG3 MET B 84 77.954 -6.877 1.966 1.00 0.00 H new ATOM 0 HE1 MET B 84 76.250 -5.143 4.758 1.00 0.00 H new ATOM 0 HE2 MET B 84 76.444 -5.386 3.005 1.00 0.00 H new ATOM 0 HE3 MET B 84 75.154 -6.240 3.885 1.00 0.00 H new ATOM 2979 N MET B 85 74.345 -8.580 -0.643 1.00 0.00 N ATOM 2980 CA MET B 85 73.145 -9.217 -1.231 1.00 0.00 C ATOM 2981 C MET B 85 73.640 -10.171 -2.309 1.00 0.00 C ATOM 2982 O MET B 85 73.095 -11.236 -2.514 1.00 0.00 O ATOM 2983 CB MET B 85 72.231 -8.155 -1.851 1.00 0.00 C ATOM 2984 CG MET B 85 70.919 -8.802 -2.302 1.00 0.00 C ATOM 2985 SD MET B 85 69.950 -9.288 -0.852 1.00 0.00 S ATOM 2986 CE MET B 85 69.615 -7.626 -0.207 1.00 0.00 C ATOM 0 H MET B 85 74.383 -7.564 -0.721 1.00 0.00 H new ATOM 0 HA MET B 85 72.571 -9.745 -0.470 1.00 0.00 H new ATOM 0 HB2 MET B 85 72.028 -7.367 -1.125 1.00 0.00 H new ATOM 0 HB3 MET B 85 72.727 -7.686 -2.701 1.00 0.00 H new ATOM 0 HG2 MET B 85 70.349 -8.103 -2.915 1.00 0.00 H new ATOM 0 HG3 MET B 85 71.126 -9.674 -2.922 1.00 0.00 H new ATOM 0 HE1 MET B 85 68.677 -7.633 0.348 1.00 0.00 H new ATOM 0 HE2 MET B 85 70.426 -7.322 0.455 1.00 0.00 H new ATOM 0 HE3 MET B 85 69.540 -6.922 -1.036 1.00 0.00 H new ATOM 2996 N CYS B 86 74.694 -9.798 -2.990 1.00 0.00 N ATOM 2997 CA CYS B 86 75.242 -10.699 -4.044 1.00 0.00 C ATOM 2998 C CYS B 86 76.617 -10.199 -4.490 1.00 0.00 C ATOM 2999 O CYS B 86 76.781 -9.687 -5.581 1.00 0.00 O ATOM 3000 CB CYS B 86 74.288 -10.738 -5.241 1.00 0.00 C ATOM 3001 SG CYS B 86 74.104 -9.072 -5.923 1.00 0.00 S ATOM 0 H CYS B 86 75.193 -8.918 -2.863 1.00 0.00 H new ATOM 0 HA CYS B 86 75.344 -11.705 -3.637 1.00 0.00 H new ATOM 0 HB2 CYS B 86 74.673 -11.414 -6.004 1.00 0.00 H new ATOM 0 HB3 CYS B 86 73.317 -11.125 -4.933 1.00 0.00 H new ATOM 0 HG CYS B 86 75.279 -8.550 -6.115 1.00 0.00 H new ATOM 3007 N ASN B 87 77.600 -10.339 -3.647 1.00 0.00 N ATOM 3008 CA ASN B 87 78.971 -9.872 -4.001 1.00 0.00 C ATOM 3009 C ASN B 87 79.576 -10.769 -5.086 1.00 0.00 C ATOM 3010 O ASN B 87 80.242 -10.302 -5.986 1.00 0.00 O ATOM 3011 CB ASN B 87 79.856 -9.890 -2.753 1.00 0.00 C ATOM 3012 CG ASN B 87 79.750 -11.251 -2.061 1.00 0.00 C ATOM 3013 OD1 ASN B 87 78.947 -12.078 -2.444 1.00 0.00 O ATOM 3014 ND2 ASN B 87 80.529 -11.517 -1.049 1.00 0.00 N ATOM 0 H ASN B 87 77.514 -10.759 -2.722 1.00 0.00 H new ATOM 0 HA ASN B 87 78.911 -8.854 -4.387 1.00 0.00 H new ATOM 0 HB2 ASN B 87 80.892 -9.691 -3.028 1.00 0.00 H new ATOM 0 HB3 ASN B 87 79.551 -9.099 -2.068 1.00 0.00 H new ATOM 0 HD21 ASN B 87 80.464 -12.420 -0.579 1.00 0.00 H new ATOM 0 HD22 ASN B 87 81.203 -10.822 -0.728 1.00 0.00 H new ATOM 3021 N GLU B 88 79.364 -12.057 -5.004 1.00 0.00 N ATOM 3022 CA GLU B 88 79.940 -12.978 -6.029 1.00 0.00 C ATOM 3023 C GLU B 88 79.056 -14.227 -6.164 1.00 0.00 C ATOM 3024 O GLU B 88 77.889 -14.140 -6.495 1.00 0.00 O ATOM 3025 CB GLU B 88 81.360 -13.378 -5.611 1.00 0.00 C ATOM 3026 CG GLU B 88 81.370 -13.782 -4.133 1.00 0.00 C ATOM 3027 CD GLU B 88 82.787 -14.183 -3.721 1.00 0.00 C ATOM 3028 OE1 GLU B 88 83.575 -14.482 -4.602 1.00 0.00 O ATOM 3029 OE2 GLU B 88 83.058 -14.185 -2.532 1.00 0.00 O ATOM 0 H GLU B 88 78.817 -12.511 -4.272 1.00 0.00 H new ATOM 0 HA GLU B 88 79.979 -12.472 -6.993 1.00 0.00 H new ATOM 0 HB2 GLU B 88 81.711 -14.206 -6.227 1.00 0.00 H new ATOM 0 HB3 GLU B 88 82.045 -12.546 -5.775 1.00 0.00 H new ATOM 0 HG2 GLU B 88 81.022 -12.953 -3.517 1.00 0.00 H new ATOM 0 HG3 GLU B 88 80.684 -14.612 -3.968 1.00 0.00 H new ATOM 3036 N PHE B 89 79.604 -15.387 -5.923 1.00 0.00 N ATOM 3037 CA PHE B 89 78.802 -16.637 -6.046 1.00 0.00 C ATOM 3038 C PHE B 89 77.616 -16.602 -5.079 1.00 0.00 C ATOM 3039 O PHE B 89 77.728 -16.164 -3.952 1.00 0.00 O ATOM 3040 CB PHE B 89 79.685 -17.845 -5.723 1.00 0.00 C ATOM 3041 CG PHE B 89 80.698 -18.042 -6.825 1.00 0.00 C ATOM 3042 CD1 PHE B 89 80.389 -18.851 -7.925 1.00 0.00 C ATOM 3043 CD2 PHE B 89 81.947 -17.414 -6.747 1.00 0.00 C ATOM 3044 CE1 PHE B 89 81.327 -19.034 -8.946 1.00 0.00 C ATOM 3045 CE2 PHE B 89 82.887 -17.598 -7.769 1.00 0.00 C ATOM 3046 CZ PHE B 89 82.577 -18.408 -8.869 1.00 0.00 C ATOM 0 H PHE B 89 80.576 -15.523 -5.645 1.00 0.00 H new ATOM 0 HA PHE B 89 78.427 -16.717 -7.066 1.00 0.00 H new ATOM 0 HB2 PHE B 89 80.194 -17.692 -4.771 1.00 0.00 H new ATOM 0 HB3 PHE B 89 79.071 -18.739 -5.616 1.00 0.00 H new ATOM 0 HD1 PHE B 89 79.425 -19.334 -7.985 1.00 0.00 H new ATOM 0 HD2 PHE B 89 82.185 -16.788 -5.900 1.00 0.00 H new ATOM 0 HE1 PHE B 89 81.087 -19.658 -9.794 1.00 0.00 H new ATOM 0 HE2 PHE B 89 83.851 -17.115 -7.709 1.00 0.00 H new ATOM 0 HZ PHE B 89 83.302 -18.550 -9.657 1.00 0.00 H new ATOM 3056 N PHE B 90 76.477 -17.071 -5.519 1.00 0.00 N ATOM 3057 CA PHE B 90 75.268 -17.085 -4.639 1.00 0.00 C ATOM 3058 C PHE B 90 75.197 -18.415 -3.882 1.00 0.00 C ATOM 3059 O PHE B 90 74.288 -18.653 -3.111 1.00 0.00 O ATOM 3060 CB PHE B 90 74.012 -16.930 -5.495 1.00 0.00 C ATOM 3061 CG PHE B 90 73.977 -18.025 -6.531 1.00 0.00 C ATOM 3062 CD1 PHE B 90 73.380 -19.254 -6.228 1.00 0.00 C ATOM 3063 CD2 PHE B 90 74.552 -17.818 -7.791 1.00 0.00 C ATOM 3064 CE1 PHE B 90 73.353 -20.274 -7.185 1.00 0.00 C ATOM 3065 CE2 PHE B 90 74.526 -18.840 -8.748 1.00 0.00 C ATOM 3066 CZ PHE B 90 73.926 -20.068 -8.445 1.00 0.00 C ATOM 0 H PHE B 90 76.331 -17.447 -6.456 1.00 0.00 H new ATOM 0 HA PHE B 90 75.333 -16.262 -3.927 1.00 0.00 H new ATOM 0 HB2 PHE B 90 73.122 -16.979 -4.868 1.00 0.00 H new ATOM 0 HB3 PHE B 90 74.007 -15.954 -5.980 1.00 0.00 H new ATOM 0 HD1 PHE B 90 72.940 -19.415 -5.255 1.00 0.00 H new ATOM 0 HD2 PHE B 90 75.015 -16.871 -8.025 1.00 0.00 H new ATOM 0 HE1 PHE B 90 72.890 -21.221 -6.951 1.00 0.00 H new ATOM 0 HE2 PHE B 90 74.969 -18.681 -9.720 1.00 0.00 H new ATOM 0 HZ PHE B 90 73.905 -20.856 -9.183 1.00 0.00 H new ATOM 3076 N GLU B 91 76.141 -19.290 -4.101 1.00 0.00 N ATOM 3077 CA GLU B 91 76.113 -20.604 -3.397 1.00 0.00 C ATOM 3078 C GLU B 91 76.162 -20.381 -1.884 1.00 0.00 C ATOM 3079 O GLU B 91 75.568 -21.120 -1.122 1.00 0.00 O ATOM 3080 CB GLU B 91 77.317 -21.443 -3.839 1.00 0.00 C ATOM 3081 CG GLU B 91 78.620 -20.816 -3.315 1.00 0.00 C ATOM 3082 CD GLU B 91 78.894 -21.288 -1.883 1.00 0.00 C ATOM 3083 OE1 GLU B 91 78.995 -22.488 -1.686 1.00 0.00 O ATOM 3084 OE2 GLU B 91 78.997 -20.442 -1.010 1.00 0.00 O ATOM 0 H GLU B 91 76.928 -19.152 -4.735 1.00 0.00 H new ATOM 0 HA GLU B 91 75.193 -21.132 -3.648 1.00 0.00 H new ATOM 0 HB2 GLU B 91 77.218 -22.461 -3.463 1.00 0.00 H new ATOM 0 HB3 GLU B 91 77.346 -21.506 -4.927 1.00 0.00 H new ATOM 0 HG2 GLU B 91 79.452 -21.093 -3.963 1.00 0.00 H new ATOM 0 HG3 GLU B 91 78.545 -19.729 -3.340 1.00 0.00 H new ATOM 3091 N GLY B 92 76.857 -19.372 -1.439 1.00 0.00 N ATOM 3092 CA GLY B 92 76.930 -19.110 0.027 1.00 0.00 C ATOM 3093 C GLY B 92 75.622 -18.464 0.490 1.00 0.00 C ATOM 3094 O GLY B 92 74.751 -18.168 -0.304 1.00 0.00 O ATOM 0 H GLY B 92 77.377 -18.718 -2.025 1.00 0.00 H new ATOM 0 HA2 GLY B 92 77.100 -20.042 0.567 1.00 0.00 H new ATOM 0 HA3 GLY B 92 77.772 -18.454 0.250 1.00 0.00 H new ATOM 3098 N PHE B 93 75.475 -18.241 1.770 1.00 0.00 N ATOM 3099 CA PHE B 93 74.220 -17.613 2.285 1.00 0.00 C ATOM 3100 C PHE B 93 74.444 -16.095 2.444 1.00 0.00 C ATOM 3101 O PHE B 93 75.261 -15.691 3.247 1.00 0.00 O ATOM 3102 CB PHE B 93 73.900 -18.202 3.661 1.00 0.00 C ATOM 3103 CG PHE B 93 73.673 -19.689 3.536 1.00 0.00 C ATOM 3104 CD1 PHE B 93 74.755 -20.572 3.630 1.00 0.00 C ATOM 3105 CD2 PHE B 93 72.380 -20.185 3.331 1.00 0.00 C ATOM 3106 CE1 PHE B 93 74.543 -21.952 3.519 1.00 0.00 C ATOM 3107 CE2 PHE B 93 72.169 -21.564 3.220 1.00 0.00 C ATOM 3108 CZ PHE B 93 73.249 -22.448 3.314 1.00 0.00 C ATOM 0 H PHE B 93 76.170 -18.466 2.482 1.00 0.00 H new ATOM 0 HA PHE B 93 73.401 -17.802 1.591 1.00 0.00 H new ATOM 0 HB2 PHE B 93 74.721 -18.006 4.351 1.00 0.00 H new ATOM 0 HB3 PHE B 93 73.013 -17.722 4.076 1.00 0.00 H new ATOM 0 HD1 PHE B 93 75.753 -20.189 3.788 1.00 0.00 H new ATOM 0 HD2 PHE B 93 71.545 -19.503 3.259 1.00 0.00 H new ATOM 0 HE1 PHE B 93 75.377 -22.634 3.591 1.00 0.00 H new ATOM 0 HE2 PHE B 93 71.171 -21.946 3.062 1.00 0.00 H new ATOM 0 HZ PHE B 93 73.085 -23.512 3.229 1.00 0.00 H new ATOM 3118 N PRO B 94 73.747 -15.238 1.714 1.00 0.00 N ATOM 3119 CA PRO B 94 73.966 -13.774 1.881 1.00 0.00 C ATOM 3120 C PRO B 94 73.745 -13.326 3.331 1.00 0.00 C ATOM 3121 O PRO B 94 72.626 -13.229 3.795 1.00 0.00 O ATOM 3122 CB PRO B 94 72.921 -13.157 0.929 1.00 0.00 C ATOM 3123 CG PRO B 94 72.281 -14.292 0.104 1.00 0.00 C ATOM 3124 CD PRO B 94 72.726 -15.640 0.700 1.00 0.00 C ATOM 0 HA PRO B 94 74.987 -13.468 1.653 1.00 0.00 H new ATOM 0 HB2 PRO B 94 72.158 -12.625 1.497 1.00 0.00 H new ATOM 0 HB3 PRO B 94 73.393 -12.429 0.269 1.00 0.00 H new ATOM 0 HG2 PRO B 94 71.194 -14.209 0.125 1.00 0.00 H new ATOM 0 HG3 PRO B 94 72.586 -14.220 -0.940 1.00 0.00 H new ATOM 0 HD2 PRO B 94 71.893 -16.174 1.156 1.00 0.00 H new ATOM 0 HD3 PRO B 94 73.149 -16.297 -0.060 1.00 0.00 H new ATOM 3132 N ASP B 95 74.804 -13.055 4.049 1.00 0.00 N ATOM 3133 CA ASP B 95 74.661 -12.615 5.469 1.00 0.00 C ATOM 3134 C ASP B 95 74.621 -11.088 5.528 1.00 0.00 C ATOM 3135 O ASP B 95 75.555 -10.413 5.138 1.00 0.00 O ATOM 3136 CB ASP B 95 75.855 -13.121 6.277 1.00 0.00 C ATOM 3137 CG ASP B 95 75.766 -14.640 6.427 1.00 0.00 C ATOM 3138 OD1 ASP B 95 74.676 -15.168 6.276 1.00 0.00 O ATOM 3139 OD2 ASP B 95 76.790 -15.250 6.685 1.00 0.00 O ATOM 0 H ASP B 95 75.765 -13.120 3.712 1.00 0.00 H new ATOM 0 HA ASP B 95 73.738 -13.020 5.885 1.00 0.00 H new ATOM 0 HB2 ASP B 95 76.786 -12.849 5.779 1.00 0.00 H new ATOM 0 HB3 ASP B 95 75.869 -12.649 7.259 1.00 0.00 H new ATOM 3144 N LYS B 96 73.544 -10.538 6.013 1.00 0.00 N ATOM 3145 CA LYS B 96 73.428 -9.052 6.100 1.00 0.00 C ATOM 3146 C LYS B 96 73.967 -8.571 7.452 1.00 0.00 C ATOM 3147 O LYS B 96 75.080 -8.095 7.551 1.00 0.00 O ATOM 3148 CB LYS B 96 71.955 -8.660 5.945 1.00 0.00 C ATOM 3149 CG LYS B 96 71.811 -7.136 5.948 1.00 0.00 C ATOM 3150 CD LYS B 96 70.328 -6.782 5.788 1.00 0.00 C ATOM 3151 CE LYS B 96 70.156 -5.264 5.753 1.00 0.00 C ATOM 3152 NZ LYS B 96 68.714 -4.936 5.554 1.00 0.00 N ATOM 0 H LYS B 96 72.734 -11.055 6.355 1.00 0.00 H new ATOM 0 HA LYS B 96 74.012 -8.585 5.307 1.00 0.00 H new ATOM 0 HB2 LYS B 96 71.558 -9.068 5.016 1.00 0.00 H new ATOM 0 HB3 LYS B 96 71.369 -9.090 6.758 1.00 0.00 H new ATOM 0 HG2 LYS B 96 72.200 -6.722 6.878 1.00 0.00 H new ATOM 0 HG3 LYS B 96 72.393 -6.700 5.136 1.00 0.00 H new ATOM 0 HD2 LYS B 96 69.937 -7.222 4.871 1.00 0.00 H new ATOM 0 HD3 LYS B 96 69.754 -7.203 6.613 1.00 0.00 H new ATOM 0 HE2 LYS B 96 70.516 -4.824 6.683 1.00 0.00 H new ATOM 0 HE3 LYS B 96 70.753 -4.837 4.947 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 68.593 -3.903 5.530 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 68.386 -5.344 4.656 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 68.157 -5.331 6.338 1.00 0.00 H new