USER MOD reduce.3.24.130724 H: found=0, std=0, add=1450, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 1453 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 75 TYR OH : rot -13:sc= -4.6! USER MOD Set 1.2: B 77 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: B 55 HIS : no HE2:sc= -1.34 K(o=-2,f=-5) USER MOD Set 2.2: B 88 SER OG : rot 132:sc= -0.664 USER MOD Set 3.1: A 65 TYR OH : rot -14:sc= 1.24 USER MOD Set 3.2: A 67 THR OG1 : rot 140:sc= 0.984 USER MOD Set 3.3: B 43 LYS NZ :NH3+ 133:sc= 0.6 (180deg=-0.509) USER MOD Set 3.4: B 44 LYS NZ :NH3+ -134:sc=-0.00476 (180deg=-0.265) USER MOD Set 3.5: B 53 THR OG1 : rot -90:sc= 0.645 USER MOD Set 4.1: B 14 SER OG : rot 180:sc= 0 USER MOD Set 4.2: B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 75 TYR OH : rot -100:sc= -0.485! USER MOD Set 5.2: A 77 TYR OH : rot -63:sc= 1.04 USER MOD Set 6.1: A 68 HIS : no HD1:sc= -6.05 K(o=-7.5,f=-10!) USER MOD Set 6.2: C 4 THR OG1 : rot -152:sc= -1.44 USER MOD Set 7.1: A 61 ASN : amide:sc= -3.05! C(o=-6.4!,f=-21!) USER MOD Set 7.2: B 61 ASN : amide:sc= -3.34 K(o=-6.4,f=-15!) USER MOD Set 8.1: A 36 LYS NZ :NH3+ -126:sc= 1.28 (180deg=-0.266) USER MOD Set 8.2: B 65 TYR OH : rot 180:sc= 1.03 USER MOD Set 9.1: A 27 GLN : amide:sc= 0.0426 K(o=-1.6,f=-5.7) USER MOD Set 9.2: A 31 LYS NZ :NH3+ -126:sc= -1.67 (180deg=-4.56!) USER MOD Single : A 9 LYS NZ :NH3+ 167:sc= 0.36 (180deg=0.125) USER MOD Single : A 10 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.18) USER MOD Single : A 13 MET CE :methyl -109:sc= -5.49 (180deg=-6.94!) USER MOD Single : A 14 SER OG : rot 170:sc= -1.1 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.77! K(o=-2.8!,f=-1.7) USER MOD Single : A 19 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.3) USER MOD Single : A 21 SER OG : rot -32:sc= 1.14 USER MOD Single : A 24 CYS SG : rot 74:sc= -0.361 USER MOD Single : A 26 THR OG1 : rot 80:sc= 1.26 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.759 X(o=-0.76,f=-0.7) USER MOD Single : A 41 HIS : no HE2:sc= -9.41! C(o=-9.4!,f=-14!) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= -0.027 (180deg=-0.262) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= -0.0116 (180deg=-0.165) USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= -0.0365 (180deg=-0.25) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.57 X(o=-1.6,f=-1.2) USER MOD Single : A 53 THR OG1 : rot 117:sc= -3.86! USER MOD Single : A 55 HIS : no HD1:sc= -4.53 K(o=-4.5,f=-2.6!) USER MOD Single : A 56 CYS SG : rot -160:sc= -4.96! USER MOD Single : A 64 SER OG : rot 180:sc= -0.62 USER MOD Single : A 70 THR OG1 : rot -61:sc= 0.45 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= -4.86! C(o=-4.9!,f=-12!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 145:sc= 0.187 (180deg=-1.07) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -0.523 K(o=-0.52,f=0) USER MOD Single : B 13 MET CE :methyl 130:sc= -2.54! (180deg=-2.91!) USER MOD Single : B 18 GLN : amide:sc= -4.06! K(o=-4.1!,f=-2.4) USER MOD Single : B 19 GLN : amide:sc= -1.9 K(o=-1.9,f=-0.68) USER MOD Single : B 21 SER OG : rot -27:sc= 0.909 USER MOD Single : B 24 CYS SG : rot -22:sc= -0.455 USER MOD Single : B 26 THR OG1 : rot 69:sc= 0.519 USER MOD Single : B 27 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 31 LYS NZ :NH3+ -109:sc= -1.59 (180deg=-2.21!) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 ASN : amide:sc= -0.644 X(o=-0.64,f=-0.61) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 HIS : no HD1:sc= -8.2! C(o=-8.2!,f=-9.7!) USER MOD Single : B 48 LYS NZ :NH3+ 168:sc=-0.00804 (180deg=-0.177) USER MOD Single : B 49 LYS NZ :NH3+ 169:sc= -0.0191 (180deg=-0.18) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.2) USER MOD Single : B 56 CYS SG : rot 41:sc= -0.431 USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 67 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HE2:sc= -2.49 K(o=-2.5,f=-3.2) USER MOD Single : B 70 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 HIS : no HD1:sc= -6.66 K(o=-6.7,f=-7.7!) USER MOD Single : B 80 GLN : amide:sc=-0.000377 X(o=-0.00038,f=0) USER MOD Single : B 87 LYS NZ :NH3+ -170:sc= 0.329 (180deg=0.139) USER MOD Single : C 1 MET CE :methyl -159:sc= -0.2 (180deg=-0.794) USER MOD Single : C 1 MET N :NH3+ -126:sc= -5.51! (180deg=-9.09!) USER MOD Single : C 2 LYS NZ :NH3+ 180:sc= -0.398 (180deg=-0.398) USER MOD Single : C 7 GLN : amide:sc= -3.12! K(o=-3.1!,f=-1) USER MOD Single : D 4 THR OG1 : rot 104:sc= 0.841 USER MOD Single : D 7 GLN : amide:sc= -1.72! K(o=-1.7!,f=-1) USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 6 -12.737 -6.222 -13.694 1.00 0.00 N ATOM 90 CA ALA A 6 -12.045 -6.380 -12.420 1.00 0.00 C ATOM 91 C ALA A 6 -12.253 -7.776 -11.844 1.00 0.00 C ATOM 92 O ALA A 6 -13.388 -8.218 -11.659 1.00 0.00 O ATOM 93 CB ALA A 6 -12.528 -5.328 -11.431 1.00 0.00 C ATOM 0 HA ALA A 6 -10.978 -6.246 -12.597 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.006 -5.454 -10.482 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.324 -4.334 -11.829 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.600 -5.442 -11.273 1.00 0.00 H new ATOM 99 N VAL A 7 -11.154 -8.470 -11.559 1.00 0.00 N ATOM 100 CA VAL A 7 -11.223 -9.806 -11.005 1.00 0.00 C ATOM 101 C VAL A 7 -10.899 -9.818 -9.517 1.00 0.00 C ATOM 102 O VAL A 7 -9.952 -9.172 -9.070 1.00 0.00 O ATOM 103 CB VAL A 7 -10.261 -10.753 -11.721 1.00 0.00 C ATOM 104 CG1 VAL A 7 -10.683 -10.959 -13.168 1.00 0.00 C ATOM 105 CG2 VAL A 7 -8.835 -10.230 -11.641 1.00 0.00 C ATOM 0 H VAL A 7 -10.206 -8.122 -11.705 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.248 -10.146 -11.150 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.297 -11.720 -11.219 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.984 -11.637 -13.658 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -11.685 -11.388 -13.197 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -10.683 -10.000 -13.687 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.165 -10.918 -12.157 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -8.780 -9.249 -12.113 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.536 -10.147 -10.596 1.00 0.00 H new ATOM 115 N ILE A 8 -11.686 -10.573 -8.764 1.00 0.00 N ATOM 116 CA ILE A 8 -11.489 -10.691 -7.322 1.00 0.00 C ATOM 117 C ILE A 8 -10.460 -11.771 -7.001 1.00 0.00 C ATOM 118 O ILE A 8 -10.431 -12.824 -7.639 1.00 0.00 O ATOM 119 CB ILE A 8 -12.814 -11.002 -6.587 1.00 0.00 C ATOM 120 CG1 ILE A 8 -13.786 -9.823 -6.708 1.00 0.00 C ATOM 121 CG2 ILE A 8 -12.556 -11.320 -5.119 1.00 0.00 C ATOM 122 CD1 ILE A 8 -14.187 -9.502 -8.130 1.00 0.00 C ATOM 0 H ILE A 8 -12.470 -11.115 -9.127 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.120 -9.727 -6.971 1.00 0.00 H new ATOM 0 HB ILE A 8 -13.264 -11.877 -7.057 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.683 -10.044 -6.129 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.328 -8.940 -6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.502 -11.536 -4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.901 -12.188 -5.044 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.081 -10.464 -4.639 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.875 -8.657 -8.132 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.300 -9.248 -8.710 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.676 -10.369 -8.575 1.00 0.00 H new ATOM 134 N LYS A 9 -9.616 -11.500 -6.011 1.00 0.00 N ATOM 135 CA LYS A 9 -8.581 -12.446 -5.609 1.00 0.00 C ATOM 136 C LYS A 9 -8.672 -12.772 -4.120 1.00 0.00 C ATOM 137 O LYS A 9 -8.374 -13.892 -3.704 1.00 0.00 O ATOM 138 CB LYS A 9 -7.197 -11.889 -5.940 1.00 0.00 C ATOM 139 CG LYS A 9 -6.977 -11.650 -7.425 1.00 0.00 C ATOM 140 CD LYS A 9 -7.145 -12.933 -8.225 1.00 0.00 C ATOM 141 CE LYS A 9 -6.920 -12.697 -9.709 1.00 0.00 C ATOM 142 NZ LYS A 9 -5.543 -12.204 -9.992 1.00 0.00 N ATOM 0 H LYS A 9 -9.628 -10.634 -5.473 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.739 -13.369 -6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.055 -10.950 -5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.439 -12.582 -5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.683 -10.901 -7.783 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.977 -11.247 -7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.441 -13.683 -7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.146 -13.333 -8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.092 -13.625 -10.254 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.647 -11.972 -10.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.356 -12.265 -11.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.458 -11.215 -9.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.853 -12.788 -9.478 1.00 0.00 H new ATOM 156 N ASN A 10 -9.075 -11.791 -3.316 1.00 0.00 N ATOM 157 CA ASN A 10 -9.191 -11.991 -1.875 1.00 0.00 C ATOM 158 C ASN A 10 -10.453 -11.333 -1.323 1.00 0.00 C ATOM 159 O ASN A 10 -10.387 -10.472 -0.445 1.00 0.00 O ATOM 160 CB ASN A 10 -7.957 -11.436 -1.158 1.00 0.00 C ATOM 161 CG ASN A 10 -6.674 -12.102 -1.613 1.00 0.00 C ATOM 162 OD1 ASN A 10 -6.535 -13.323 -1.541 1.00 0.00 O ATOM 163 ND2 ASN A 10 -5.723 -11.300 -2.077 1.00 0.00 N ATOM 0 H ASN A 10 -9.325 -10.855 -3.636 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.259 -13.064 -1.693 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.889 -10.363 -1.337 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.073 -11.574 -0.083 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.835 -11.691 -2.391 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.881 -10.293 -2.119 1.00 0.00 H new ATOM 170 N ALA A 11 -11.606 -11.749 -1.840 1.00 0.00 N ATOM 171 CA ALA A 11 -12.885 -11.204 -1.398 1.00 0.00 C ATOM 172 C ALA A 11 -13.051 -11.338 0.115 1.00 0.00 C ATOM 173 O ALA A 11 -12.669 -12.348 0.705 1.00 0.00 O ATOM 174 CB ALA A 11 -14.031 -11.899 -2.121 1.00 0.00 C ATOM 0 H ALA A 11 -11.680 -12.462 -2.566 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.903 -10.142 -1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.980 -11.483 -1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.930 -11.745 -3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.004 -12.967 -1.903 1.00 0.00 H new ATOM 180 N ASP A 12 -13.617 -10.308 0.733 1.00 0.00 N ATOM 181 CA ASP A 12 -13.832 -10.299 2.177 1.00 0.00 C ATOM 182 C ASP A 12 -14.596 -9.045 2.594 1.00 0.00 C ATOM 183 O ASP A 12 -14.101 -8.235 3.379 1.00 0.00 O ATOM 184 CB ASP A 12 -12.492 -10.371 2.915 1.00 0.00 C ATOM 185 CG ASP A 12 -12.656 -10.383 4.422 1.00 0.00 C ATOM 186 OD1 ASP A 12 -13.812 -10.338 4.895 1.00 0.00 O ATOM 187 OD2 ASP A 12 -11.630 -10.439 5.132 1.00 0.00 O ATOM 0 H ASP A 12 -13.937 -9.465 0.256 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.426 -11.173 2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.958 -11.269 2.604 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.877 -9.519 2.627 1.00 0.00 H new ATOM 192 N MET A 13 -15.799 -8.887 2.052 1.00 0.00 N ATOM 193 CA MET A 13 -16.629 -7.727 2.355 1.00 0.00 C ATOM 194 C MET A 13 -17.978 -7.830 1.649 1.00 0.00 C ATOM 195 O MET A 13 -18.117 -8.545 0.655 1.00 0.00 O ATOM 196 CB MET A 13 -15.916 -6.443 1.929 1.00 0.00 C ATOM 197 CG MET A 13 -16.680 -5.176 2.279 1.00 0.00 C ATOM 198 SD MET A 13 -15.851 -3.681 1.702 1.00 0.00 S ATOM 199 CE MET A 13 -14.311 -3.766 2.611 1.00 0.00 C ATOM 0 H MET A 13 -16.221 -9.548 1.400 1.00 0.00 H new ATOM 0 HA MET A 13 -16.801 -7.701 3.431 1.00 0.00 H new ATOM 0 HB2 MET A 13 -14.935 -6.408 2.403 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.749 -6.471 0.852 1.00 0.00 H new ATOM 0 HG2 MET A 13 -17.677 -5.225 1.842 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.809 -5.121 3.360 1.00 0.00 H new ATOM 0 HE1 MET A 13 -14.300 -2.994 3.381 1.00 0.00 H new ATOM 0 HE2 MET A 13 -14.218 -4.746 3.079 1.00 0.00 H new ATOM 0 HE3 MET A 13 -13.476 -3.609 1.928 1.00 0.00 H new ATOM 209 N SER A 14 -18.973 -7.115 2.170 1.00 0.00 N ATOM 210 CA SER A 14 -20.318 -7.127 1.593 1.00 0.00 C ATOM 211 C SER A 14 -20.271 -6.965 0.073 1.00 0.00 C ATOM 212 O SER A 14 -19.462 -6.204 -0.457 1.00 0.00 O ATOM 213 CB SER A 14 -21.167 -6.013 2.209 1.00 0.00 C ATOM 214 OG SER A 14 -22.477 -6.016 1.672 1.00 0.00 O ATOM 0 H SER A 14 -18.874 -6.519 2.992 1.00 0.00 H new ATOM 0 HA SER A 14 -20.771 -8.092 1.819 1.00 0.00 H new ATOM 0 HB2 SER A 14 -21.213 -6.142 3.290 1.00 0.00 H new ATOM 0 HB3 SER A 14 -20.696 -5.048 2.023 1.00 0.00 H new ATOM 0 HG SER A 14 -23.044 -5.408 2.190 1.00 0.00 H new ATOM 220 N GLU A 15 -21.141 -7.698 -0.618 1.00 0.00 N ATOM 221 CA GLU A 15 -21.204 -7.657 -2.075 1.00 0.00 C ATOM 222 C GLU A 15 -21.360 -6.232 -2.597 1.00 0.00 C ATOM 223 O GLU A 15 -20.691 -5.834 -3.549 1.00 0.00 O ATOM 224 CB GLU A 15 -22.363 -8.520 -2.576 1.00 0.00 C ATOM 225 CG GLU A 15 -22.249 -9.982 -2.176 1.00 0.00 C ATOM 226 CD GLU A 15 -23.409 -10.817 -2.684 1.00 0.00 C ATOM 227 OE1 GLU A 15 -23.603 -10.878 -3.916 1.00 0.00 O ATOM 228 OE2 GLU A 15 -24.125 -11.410 -1.849 1.00 0.00 O ATOM 0 H GLU A 15 -21.816 -8.331 -0.188 1.00 0.00 H new ATOM 0 HA GLU A 15 -20.261 -8.051 -2.455 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -23.299 -8.118 -2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -22.413 -8.452 -3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -21.315 -10.389 -2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -22.202 -10.055 -1.089 1.00 0.00 H new ATOM 235 N GLU A 16 -22.253 -5.477 -1.976 1.00 0.00 N ATOM 236 CA GLU A 16 -22.507 -4.100 -2.387 1.00 0.00 C ATOM 237 C GLU A 16 -21.269 -3.227 -2.215 1.00 0.00 C ATOM 238 O GLU A 16 -20.974 -2.382 -3.062 1.00 0.00 O ATOM 239 CB GLU A 16 -23.675 -3.513 -1.593 1.00 0.00 C ATOM 240 CG GLU A 16 -23.440 -3.488 -0.093 1.00 0.00 C ATOM 241 CD GLU A 16 -24.612 -2.903 0.671 1.00 0.00 C ATOM 242 OE1 GLU A 16 -25.724 -3.462 0.572 1.00 0.00 O ATOM 243 OE2 GLU A 16 -24.417 -1.885 1.368 1.00 0.00 O ATOM 0 H GLU A 16 -22.815 -5.792 -1.185 1.00 0.00 H new ATOM 0 HA GLU A 16 -22.765 -4.115 -3.446 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -23.865 -2.497 -1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -24.573 -4.094 -1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -23.252 -4.502 0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -22.544 -2.905 0.121 1.00 0.00 H new ATOM 250 N MET A 17 -20.553 -3.421 -1.117 1.00 0.00 N ATOM 251 CA MET A 17 -19.357 -2.637 -0.847 1.00 0.00 C ATOM 252 C MET A 17 -18.269 -2.915 -1.876 1.00 0.00 C ATOM 253 O MET A 17 -17.644 -1.991 -2.396 1.00 0.00 O ATOM 254 CB MET A 17 -18.838 -2.925 0.562 1.00 0.00 C ATOM 255 CG MET A 17 -19.837 -2.589 1.658 1.00 0.00 C ATOM 256 SD MET A 17 -19.211 -2.961 3.307 1.00 0.00 S ATOM 257 CE MET A 17 -20.598 -2.452 4.317 1.00 0.00 C ATOM 0 H MET A 17 -20.778 -4.112 -0.401 1.00 0.00 H new ATOM 0 HA MET A 17 -19.626 -1.583 -0.917 1.00 0.00 H new ATOM 0 HB2 MET A 17 -18.573 -3.980 0.634 1.00 0.00 H new ATOM 0 HB3 MET A 17 -17.924 -2.355 0.727 1.00 0.00 H new ATOM 0 HG2 MET A 17 -20.091 -1.531 1.600 1.00 0.00 H new ATOM 0 HG3 MET A 17 -20.758 -3.148 1.489 1.00 0.00 H new ATOM 0 HE1 MET A 17 -20.364 -2.620 5.368 1.00 0.00 H new ATOM 0 HE2 MET A 17 -20.797 -1.393 4.155 1.00 0.00 H new ATOM 0 HE3 MET A 17 -21.479 -3.032 4.044 1.00 0.00 H new ATOM 267 N GLN A 18 -18.041 -4.189 -2.166 1.00 0.00 N ATOM 268 CA GLN A 18 -17.021 -4.574 -3.133 1.00 0.00 C ATOM 269 C GLN A 18 -17.366 -4.085 -4.535 1.00 0.00 C ATOM 270 O GLN A 18 -16.486 -3.658 -5.281 1.00 0.00 O ATOM 271 CB GLN A 18 -16.807 -6.089 -3.126 1.00 0.00 C ATOM 272 CG GLN A 18 -18.081 -6.896 -3.286 1.00 0.00 C ATOM 273 CD GLN A 18 -17.834 -8.384 -3.146 1.00 0.00 C ATOM 274 OE1 GLN A 18 -17.238 -9.010 -4.022 1.00 0.00 O ATOM 275 NE2 GLN A 18 -18.267 -8.949 -2.028 1.00 0.00 N ATOM 0 H GLN A 18 -18.546 -4.970 -1.748 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.089 -4.094 -2.835 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.120 -6.352 -3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.325 -6.373 -2.190 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -18.808 -6.578 -2.538 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -18.519 -6.692 -4.263 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -18.757 -8.389 -1.330 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -18.111 -9.944 -1.866 1.00 0.00 H new ATOM 284 N GLN A 19 -18.645 -4.137 -4.895 1.00 0.00 N ATOM 285 CA GLN A 19 -19.066 -3.681 -6.214 1.00 0.00 C ATOM 286 C GLN A 19 -18.948 -2.164 -6.313 1.00 0.00 C ATOM 287 O GLN A 19 -18.550 -1.630 -7.347 1.00 0.00 O ATOM 288 CB GLN A 19 -20.497 -4.123 -6.519 1.00 0.00 C ATOM 289 CG GLN A 19 -21.526 -3.580 -5.545 1.00 0.00 C ATOM 290 CD GLN A 19 -22.941 -4.000 -5.898 1.00 0.00 C ATOM 291 OE1 GLN A 19 -23.254 -5.189 -5.948 1.00 0.00 O ATOM 292 NE2 GLN A 19 -23.804 -3.021 -6.146 1.00 0.00 N ATOM 0 H GLN A 19 -19.398 -4.485 -4.301 1.00 0.00 H new ATOM 0 HA GLN A 19 -18.407 -4.135 -6.954 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -20.760 -3.802 -7.527 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -20.541 -5.212 -6.510 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -21.288 -3.927 -4.540 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -21.467 -2.492 -5.529 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -23.501 -2.048 -6.093 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -24.770 -3.242 -6.389 1.00 0.00 H new ATOM 301 N ASP A 20 -19.289 -1.477 -5.229 1.00 0.00 N ATOM 302 CA ASP A 20 -19.213 -0.021 -5.195 1.00 0.00 C ATOM 303 C ASP A 20 -17.777 0.447 -5.356 1.00 0.00 C ATOM 304 O ASP A 20 -17.513 1.426 -6.047 1.00 0.00 O ATOM 305 CB ASP A 20 -19.803 0.518 -3.891 1.00 0.00 C ATOM 306 CG ASP A 20 -19.773 2.033 -3.821 1.00 0.00 C ATOM 307 OD1 ASP A 20 -20.389 2.679 -4.695 1.00 0.00 O ATOM 308 OD2 ASP A 20 -19.133 2.572 -2.895 1.00 0.00 O ATOM 0 H ASP A 20 -19.620 -1.903 -4.364 1.00 0.00 H new ATOM 0 HA ASP A 20 -19.798 0.368 -6.028 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -20.832 0.173 -3.792 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.247 0.108 -3.048 1.00 0.00 H new ATOM 313 N SER A 21 -16.851 -0.257 -4.726 1.00 0.00 N ATOM 314 CA SER A 21 -15.444 0.101 -4.824 1.00 0.00 C ATOM 315 C SER A 21 -14.950 -0.098 -6.250 1.00 0.00 C ATOM 316 O SER A 21 -14.265 0.759 -6.807 1.00 0.00 O ATOM 317 CB SER A 21 -14.606 -0.733 -3.852 1.00 0.00 C ATOM 318 OG SER A 21 -15.018 -0.523 -2.512 1.00 0.00 O ATOM 0 H SER A 21 -17.045 -1.073 -4.146 1.00 0.00 H new ATOM 0 HA SER A 21 -15.336 1.152 -4.557 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.698 -1.790 -4.102 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.553 -0.471 -3.957 1.00 0.00 H new ATOM 0 HG SER A 21 -15.333 0.399 -2.407 1.00 0.00 H new ATOM 324 N VAL A 22 -15.315 -1.231 -6.839 1.00 0.00 N ATOM 325 CA VAL A 22 -14.920 -1.537 -8.205 1.00 0.00 C ATOM 326 C VAL A 22 -15.514 -0.522 -9.173 1.00 0.00 C ATOM 327 O VAL A 22 -14.822 -0.005 -10.051 1.00 0.00 O ATOM 328 CB VAL A 22 -15.366 -2.954 -8.619 1.00 0.00 C ATOM 329 CG1 VAL A 22 -14.876 -3.286 -10.021 1.00 0.00 C ATOM 330 CG2 VAL A 22 -14.876 -3.986 -7.613 1.00 0.00 C ATOM 0 H VAL A 22 -15.883 -1.950 -6.391 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.832 -1.489 -8.245 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.456 -2.981 -8.628 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.202 -4.290 -10.292 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.287 -2.567 -10.730 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.787 -3.239 -10.047 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.201 -4.979 -7.923 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.787 -3.959 -7.565 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.288 -3.760 -6.630 1.00 0.00 H new ATOM 340 N GLU A 23 -16.797 -0.232 -8.998 1.00 0.00 N ATOM 341 CA GLU A 23 -17.482 0.732 -9.848 1.00 0.00 C ATOM 342 C GLU A 23 -16.921 2.130 -9.628 1.00 0.00 C ATOM 343 O GLU A 23 -16.646 2.857 -10.581 1.00 0.00 O ATOM 344 CB GLU A 23 -18.987 0.719 -9.574 1.00 0.00 C ATOM 345 CG GLU A 23 -19.665 -0.585 -9.965 1.00 0.00 C ATOM 346 CD GLU A 23 -21.150 -0.585 -9.655 1.00 0.00 C ATOM 347 OE1 GLU A 23 -21.869 0.281 -10.197 1.00 0.00 O ATOM 348 OE2 GLU A 23 -21.593 -1.450 -8.871 1.00 0.00 O ATOM 0 H GLU A 23 -17.383 -0.650 -8.276 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.316 0.448 -10.887 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -19.156 0.903 -8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.454 1.539 -10.119 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.520 -0.760 -11.031 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.187 -1.411 -9.438 1.00 0.00 H new ATOM 355 N CYS A 24 -16.747 2.493 -8.364 1.00 0.00 N ATOM 356 CA CYS A 24 -16.207 3.804 -8.018 1.00 0.00 C ATOM 357 C CYS A 24 -14.764 3.944 -8.491 1.00 0.00 C ATOM 358 O CYS A 24 -14.332 5.031 -8.876 1.00 0.00 O ATOM 359 CB CYS A 24 -16.291 4.044 -6.507 1.00 0.00 C ATOM 360 SG CYS A 24 -17.977 4.246 -5.884 1.00 0.00 S ATOM 0 H CYS A 24 -16.970 1.902 -7.563 1.00 0.00 H new ATOM 0 HA CYS A 24 -16.811 4.556 -8.526 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -15.822 3.207 -5.990 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -15.714 4.935 -6.259 1.00 0.00 H new ATOM 0 HG CYS A 24 -18.574 3.091 -5.866 1.00 0.00 H new ATOM 366 N ALA A 25 -14.025 2.838 -8.477 1.00 0.00 N ATOM 367 CA ALA A 25 -12.642 2.850 -8.919 1.00 0.00 C ATOM 368 C ALA A 25 -12.588 3.035 -10.426 1.00 0.00 C ATOM 369 O ALA A 25 -11.749 3.771 -10.950 1.00 0.00 O ATOM 370 CB ALA A 25 -11.942 1.562 -8.513 1.00 0.00 C ATOM 0 H ALA A 25 -14.363 1.928 -8.165 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.124 3.682 -8.442 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.906 1.588 -8.852 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.966 1.461 -7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.451 0.712 -8.967 1.00 0.00 H new ATOM 376 N THR A 26 -13.505 2.364 -11.116 1.00 0.00 N ATOM 377 CA THR A 26 -13.580 2.452 -12.564 1.00 0.00 C ATOM 378 C THR A 26 -13.838 3.890 -12.993 1.00 0.00 C ATOM 379 O THR A 26 -13.151 4.428 -13.864 1.00 0.00 O ATOM 380 CB THR A 26 -14.681 1.534 -13.100 1.00 0.00 C ATOM 381 OG1 THR A 26 -14.435 0.188 -12.732 1.00 0.00 O ATOM 382 CG2 THR A 26 -14.818 1.579 -14.607 1.00 0.00 C ATOM 0 H THR A 26 -14.205 1.754 -10.693 1.00 0.00 H new ATOM 0 HA THR A 26 -12.626 2.128 -12.980 1.00 0.00 H new ATOM 0 HB THR A 26 -15.605 1.903 -12.656 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.717 0.046 -11.804 1.00 0.00 H new ATOM 0 HG21 THR A 26 -15.616 0.905 -14.920 1.00 0.00 H new ATOM 0 HG22 THR A 26 -15.057 2.595 -14.920 1.00 0.00 H new ATOM 0 HG23 THR A 26 -13.880 1.269 -15.067 1.00 0.00 H new ATOM 390 N GLN A 27 -14.823 4.512 -12.357 1.00 0.00 N ATOM 391 CA GLN A 27 -15.166 5.897 -12.649 1.00 0.00 C ATOM 392 C GLN A 27 -13.964 6.790 -12.383 1.00 0.00 C ATOM 393 O GLN A 27 -13.716 7.756 -13.105 1.00 0.00 O ATOM 394 CB GLN A 27 -16.353 6.344 -11.795 1.00 0.00 C ATOM 395 CG GLN A 27 -17.625 5.555 -12.060 1.00 0.00 C ATOM 396 CD GLN A 27 -18.785 6.014 -11.198 1.00 0.00 C ATOM 397 OE1 GLN A 27 -19.201 7.172 -11.260 1.00 0.00 O ATOM 398 NE2 GLN A 27 -19.316 5.107 -10.387 1.00 0.00 N ATOM 0 H GLN A 27 -15.398 4.078 -11.635 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.447 5.977 -13.699 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.089 6.248 -10.742 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -16.546 7.401 -11.980 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -17.897 5.653 -13.111 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -17.437 4.497 -11.877 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -18.941 4.159 -10.367 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -20.099 5.358 -9.784 1.00 0.00 H new ATOM 407 N ALA A 28 -13.218 6.448 -11.339 1.00 0.00 N ATOM 408 CA ALA A 28 -12.030 7.199 -10.962 1.00 0.00 C ATOM 409 C ALA A 28 -11.023 7.234 -12.103 1.00 0.00 C ATOM 410 O ALA A 28 -10.410 8.265 -12.366 1.00 0.00 O ATOM 411 CB ALA A 28 -11.400 6.592 -9.722 1.00 0.00 C ATOM 0 H ALA A 28 -13.418 5.650 -10.736 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.329 8.224 -10.742 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.512 7.162 -9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.115 6.619 -8.900 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.120 5.558 -9.925 1.00 0.00 H new ATOM 417 N LEU A 29 -10.852 6.102 -12.774 1.00 0.00 N ATOM 418 CA LEU A 29 -9.915 6.018 -13.889 1.00 0.00 C ATOM 419 C LEU A 29 -10.367 6.895 -15.048 1.00 0.00 C ATOM 420 O LEU A 29 -9.573 7.631 -15.633 1.00 0.00 O ATOM 421 CB LEU A 29 -9.766 4.573 -14.355 1.00 0.00 C ATOM 422 CG LEU A 29 -8.924 3.694 -13.437 1.00 0.00 C ATOM 423 CD1 LEU A 29 -9.108 2.225 -13.781 1.00 0.00 C ATOM 424 CD2 LEU A 29 -7.457 4.083 -13.537 1.00 0.00 C ATOM 0 H LEU A 29 -11.346 5.234 -12.568 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.947 6.378 -13.541 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -10.758 4.131 -14.450 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.319 4.570 -15.349 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.258 3.848 -12.411 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.498 1.616 -13.114 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.157 1.952 -13.664 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.801 2.052 -14.812 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.866 3.448 -12.877 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.116 3.955 -14.564 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.336 5.125 -13.242 1.00 0.00 H new ATOM 436 N GLU A 30 -11.646 6.805 -15.375 1.00 0.00 N ATOM 437 CA GLU A 30 -12.211 7.586 -16.466 1.00 0.00 C ATOM 438 C GLU A 30 -12.206 9.076 -16.140 1.00 0.00 C ATOM 439 O GLU A 30 -12.037 9.915 -17.024 1.00 0.00 O ATOM 440 CB GLU A 30 -13.640 7.125 -16.765 1.00 0.00 C ATOM 441 CG GLU A 30 -13.742 5.655 -17.143 1.00 0.00 C ATOM 442 CD GLU A 30 -12.960 5.316 -18.397 1.00 0.00 C ATOM 443 OE1 GLU A 30 -11.725 5.491 -18.394 1.00 0.00 O ATOM 444 OE2 GLU A 30 -13.586 4.873 -19.384 1.00 0.00 O ATOM 0 H GLU A 30 -12.314 6.198 -14.900 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.589 7.426 -17.347 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.263 7.310 -15.890 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.045 7.729 -17.577 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.377 5.046 -16.316 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.790 5.395 -17.292 1.00 0.00 H new ATOM 451 N LYS A 31 -12.404 9.400 -14.866 1.00 0.00 N ATOM 452 CA LYS A 31 -12.439 10.789 -14.425 1.00 0.00 C ATOM 453 C LYS A 31 -11.049 11.312 -14.076 1.00 0.00 C ATOM 454 O LYS A 31 -10.732 12.470 -14.343 1.00 0.00 O ATOM 455 CB LYS A 31 -13.367 10.935 -13.217 1.00 0.00 C ATOM 456 CG LYS A 31 -14.814 10.587 -13.519 1.00 0.00 C ATOM 457 CD LYS A 31 -15.693 10.743 -12.289 1.00 0.00 C ATOM 458 CE LYS A 31 -17.165 10.554 -12.625 1.00 0.00 C ATOM 459 NZ LYS A 31 -17.442 9.209 -13.204 1.00 0.00 N ATOM 0 H LYS A 31 -12.543 8.718 -14.120 1.00 0.00 H new ATOM 0 HA LYS A 31 -12.820 11.385 -15.254 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.007 10.293 -12.413 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.317 11.961 -12.852 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -15.185 11.230 -14.317 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.874 9.561 -13.883 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.395 10.016 -11.534 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -15.542 11.732 -11.856 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.762 10.689 -11.723 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -17.476 11.323 -13.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.935 9.317 -14.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.545 8.705 -13.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.039 8.665 -12.549 1.00 0.00 H new ATOM 473 N TYR A 32 -10.231 10.465 -13.462 1.00 0.00 N ATOM 474 CA TYR A 32 -8.888 10.868 -13.063 1.00 0.00 C ATOM 475 C TYR A 32 -7.820 10.182 -13.908 1.00 0.00 C ATOM 476 O TYR A 32 -6.884 10.825 -14.383 1.00 0.00 O ATOM 477 CB TYR A 32 -8.656 10.555 -11.584 1.00 0.00 C ATOM 478 CG TYR A 32 -9.677 11.183 -10.659 1.00 0.00 C ATOM 479 CD1 TYR A 32 -11.018 10.825 -10.726 1.00 0.00 C ATOM 480 CD2 TYR A 32 -9.299 12.136 -9.721 1.00 0.00 C ATOM 481 CE1 TYR A 32 -11.952 11.396 -9.883 1.00 0.00 C ATOM 482 CE2 TYR A 32 -10.228 12.711 -8.875 1.00 0.00 C ATOM 483 CZ TYR A 32 -11.552 12.339 -8.960 1.00 0.00 C ATOM 484 OH TYR A 32 -12.479 12.910 -8.119 1.00 0.00 O ATOM 0 H TYR A 32 -10.472 9.501 -13.231 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.808 11.943 -13.224 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.670 9.474 -11.445 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.662 10.901 -11.301 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.335 10.088 -11.449 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.263 12.432 -9.652 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.990 11.105 -9.947 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.918 13.449 -8.150 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.033 13.553 -7.529 1.00 0.00 H new ATOM 494 N ASN A 33 -7.961 8.874 -14.084 1.00 0.00 N ATOM 495 CA ASN A 33 -7.002 8.097 -14.863 1.00 0.00 C ATOM 496 C ASN A 33 -5.635 8.097 -14.186 1.00 0.00 C ATOM 497 O ASN A 33 -4.602 8.245 -14.839 1.00 0.00 O ATOM 498 CB ASN A 33 -6.888 8.654 -16.285 1.00 0.00 C ATOM 499 CG ASN A 33 -5.954 7.837 -17.154 1.00 0.00 C ATOM 500 OD1 ASN A 33 -6.175 6.645 -17.375 1.00 0.00 O ATOM 501 ND2 ASN A 33 -4.903 8.474 -17.656 1.00 0.00 N ATOM 0 H ASN A 33 -8.731 8.328 -13.698 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.361 7.070 -14.919 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.877 8.678 -16.743 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.532 9.683 -16.241 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.241 7.976 -18.250 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.758 9.462 -17.448 1.00 0.00 H new ATOM 508 N ILE A 34 -5.641 7.925 -12.868 1.00 0.00 N ATOM 509 CA ILE A 34 -4.412 7.897 -12.087 1.00 0.00 C ATOM 510 C ILE A 34 -4.610 7.060 -10.827 1.00 0.00 C ATOM 511 O ILE A 34 -5.421 7.398 -9.967 1.00 0.00 O ATOM 512 CB ILE A 34 -3.967 9.317 -11.688 1.00 0.00 C ATOM 513 CG1 ILE A 34 -3.747 10.178 -12.934 1.00 0.00 C ATOM 514 CG2 ILE A 34 -2.701 9.267 -10.843 1.00 0.00 C ATOM 515 CD1 ILE A 34 -3.284 11.587 -12.625 1.00 0.00 C ATOM 0 H ILE A 34 -6.490 7.802 -12.316 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.635 7.452 -12.709 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.758 9.769 -11.090 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.009 9.694 -13.574 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.677 10.226 -13.501 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.404 10.280 -10.572 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.890 8.690 -9.938 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.901 8.795 -11.413 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.149 12.138 -13.556 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.032 12.089 -12.011 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.338 11.549 -12.085 1.00 0.00 H new ATOM 527 N GLU A 35 -3.865 5.963 -10.733 1.00 0.00 N ATOM 528 CA GLU A 35 -3.956 5.052 -9.593 1.00 0.00 C ATOM 529 C GLU A 35 -4.011 5.801 -8.262 1.00 0.00 C ATOM 530 O GLU A 35 -4.836 5.494 -7.402 1.00 0.00 O ATOM 531 CB GLU A 35 -2.768 4.091 -9.604 1.00 0.00 C ATOM 532 CG GLU A 35 -2.691 3.243 -10.862 1.00 0.00 C ATOM 533 CD GLU A 35 -1.482 2.329 -10.882 1.00 0.00 C ATOM 534 OE1 GLU A 35 -0.347 2.845 -10.817 1.00 0.00 O ATOM 535 OE2 GLU A 35 -1.671 1.098 -10.964 1.00 0.00 O ATOM 0 H GLU A 35 -3.185 5.680 -11.439 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.886 4.492 -9.690 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.846 4.663 -9.503 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.832 3.435 -8.736 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.596 2.642 -10.945 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.661 3.897 -11.734 1.00 0.00 H new ATOM 542 N LYS A 36 -3.130 6.777 -8.096 1.00 0.00 N ATOM 543 CA LYS A 36 -3.078 7.560 -6.864 1.00 0.00 C ATOM 544 C LYS A 36 -4.417 8.240 -6.575 1.00 0.00 C ATOM 545 O LYS A 36 -4.972 8.101 -5.485 1.00 0.00 O ATOM 546 CB LYS A 36 -1.988 8.626 -6.959 1.00 0.00 C ATOM 547 CG LYS A 36 -1.823 9.433 -5.681 1.00 0.00 C ATOM 548 CD LYS A 36 -1.110 10.747 -5.943 1.00 0.00 C ATOM 549 CE LYS A 36 -2.018 11.725 -6.669 1.00 0.00 C ATOM 550 NZ LYS A 36 -3.158 12.160 -5.816 1.00 0.00 N ATOM 0 H LYS A 36 -2.440 7.048 -8.797 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.853 6.871 -6.050 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.040 8.146 -7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.222 9.303 -7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.802 9.630 -5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.260 8.851 -4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.783 11.182 -4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.215 10.567 -6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.441 12.597 -6.976 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.401 11.260 -7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.052 11.988 -6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.151 11.621 -4.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.068 13.175 -5.607 1.00 0.00 H new ATOM 564 N ASP A 37 -4.918 8.990 -7.552 1.00 0.00 N ATOM 565 CA ASP A 37 -6.179 9.712 -7.401 1.00 0.00 C ATOM 566 C ASP A 37 -7.344 8.770 -7.110 1.00 0.00 C ATOM 567 O ASP A 37 -8.212 9.079 -6.292 1.00 0.00 O ATOM 568 CB ASP A 37 -6.474 10.534 -8.654 1.00 0.00 C ATOM 569 CG ASP A 37 -5.450 11.631 -8.879 1.00 0.00 C ATOM 570 OD1 ASP A 37 -5.301 12.493 -7.986 1.00 0.00 O ATOM 571 OD2 ASP A 37 -4.798 11.630 -9.943 1.00 0.00 O ATOM 0 H ASP A 37 -4.469 9.114 -8.459 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.070 10.380 -6.547 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.493 9.875 -9.522 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.466 10.978 -8.569 1.00 0.00 H new ATOM 576 N ILE A 38 -7.366 7.622 -7.781 1.00 0.00 N ATOM 577 CA ILE A 38 -8.436 6.644 -7.588 1.00 0.00 C ATOM 578 C ILE A 38 -8.681 6.391 -6.101 1.00 0.00 C ATOM 579 O ILE A 38 -9.812 6.476 -5.618 1.00 0.00 O ATOM 580 CB ILE A 38 -8.093 5.297 -8.266 1.00 0.00 C ATOM 581 CG1 ILE A 38 -7.814 5.496 -9.757 1.00 0.00 C ATOM 582 CG2 ILE A 38 -9.223 4.297 -8.070 1.00 0.00 C ATOM 583 CD1 ILE A 38 -7.316 4.246 -10.447 1.00 0.00 C ATOM 0 H ILE A 38 -6.658 7.345 -8.461 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.334 7.060 -8.044 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.192 4.901 -7.797 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.727 5.834 -10.248 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.075 6.288 -9.878 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.964 3.355 -8.554 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.378 4.127 -7.005 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -10.138 4.691 -8.511 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.138 4.459 -11.501 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.386 3.919 -9.981 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.064 3.458 -10.357 1.00 0.00 H new ATOM 595 N ALA A 39 -7.608 6.076 -5.390 1.00 0.00 N ATOM 596 CA ALA A 39 -7.679 5.799 -3.963 1.00 0.00 C ATOM 597 C ALA A 39 -8.022 7.044 -3.150 1.00 0.00 C ATOM 598 O ALA A 39 -8.634 6.948 -2.088 1.00 0.00 O ATOM 599 CB ALA A 39 -6.362 5.206 -3.484 1.00 0.00 C ATOM 0 H ALA A 39 -6.669 6.006 -5.783 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.483 5.080 -3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.423 5.001 -2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.164 4.278 -4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.554 5.913 -3.673 1.00 0.00 H new ATOM 605 N ALA A 40 -7.610 8.211 -3.635 1.00 0.00 N ATOM 606 CA ALA A 40 -7.865 9.457 -2.922 1.00 0.00 C ATOM 607 C ALA A 40 -9.358 9.717 -2.745 1.00 0.00 C ATOM 608 O ALA A 40 -9.851 9.836 -1.620 1.00 0.00 O ATOM 609 CB ALA A 40 -7.210 10.622 -3.650 1.00 0.00 C ATOM 0 H ALA A 40 -7.102 8.320 -4.513 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.429 9.362 -1.928 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.407 11.547 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.134 10.457 -3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.619 10.698 -4.658 1.00 0.00 H new ATOM 615 N HIS A 41 -10.071 9.816 -3.860 1.00 0.00 N ATOM 616 CA HIS A 41 -11.503 10.081 -3.821 1.00 0.00 C ATOM 617 C HIS A 41 -12.260 8.911 -3.192 1.00 0.00 C ATOM 618 O HIS A 41 -13.117 9.108 -2.331 1.00 0.00 O ATOM 619 CB HIS A 41 -12.031 10.374 -5.232 1.00 0.00 C ATOM 620 CG HIS A 41 -12.602 9.182 -5.934 1.00 0.00 C ATOM 621 ND1 HIS A 41 -13.816 8.626 -5.592 1.00 0.00 N ATOM 622 CD2 HIS A 41 -12.122 8.439 -6.955 1.00 0.00 C ATOM 623 CE1 HIS A 41 -14.060 7.593 -6.376 1.00 0.00 C ATOM 624 NE2 HIS A 41 -13.050 7.457 -7.213 1.00 0.00 N ATOM 0 H HIS A 41 -9.683 9.717 -4.798 1.00 0.00 H new ATOM 0 HA HIS A 41 -11.670 10.960 -3.199 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.798 11.146 -5.168 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.219 10.782 -5.834 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -14.430 8.961 -4.849 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -11.185 8.588 -7.472 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.938 6.965 -6.339 1.00 0.00 H new ATOM 633 N ILE A 42 -11.941 7.694 -3.629 1.00 0.00 N ATOM 634 CA ILE A 42 -12.599 6.504 -3.102 1.00 0.00 C ATOM 635 C ILE A 42 -12.388 6.384 -1.595 1.00 0.00 C ATOM 636 O ILE A 42 -13.295 5.991 -0.864 1.00 0.00 O ATOM 637 CB ILE A 42 -12.107 5.216 -3.803 1.00 0.00 C ATOM 638 CG1 ILE A 42 -12.484 5.241 -5.283 1.00 0.00 C ATOM 639 CG2 ILE A 42 -12.687 3.978 -3.128 1.00 0.00 C ATOM 640 CD1 ILE A 42 -12.083 3.987 -6.025 1.00 0.00 C ATOM 0 H ILE A 42 -11.236 7.508 -4.342 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.664 6.616 -3.305 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.021 5.173 -3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.561 5.379 -5.374 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -12.011 6.101 -5.756 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.328 3.084 -3.637 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.373 3.952 -2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -13.775 4.012 -3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.381 4.072 -7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.002 3.858 -5.965 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.577 3.125 -5.576 1.00 0.00 H new ATOM 652 N LYS A 43 -11.190 6.723 -1.134 1.00 0.00 N ATOM 653 CA LYS A 43 -10.879 6.647 0.289 1.00 0.00 C ATOM 654 C LYS A 43 -11.804 7.551 1.099 1.00 0.00 C ATOM 655 O LYS A 43 -12.474 7.097 2.025 1.00 0.00 O ATOM 656 CB LYS A 43 -9.423 7.039 0.545 1.00 0.00 C ATOM 657 CG LYS A 43 -9.029 6.986 2.012 1.00 0.00 C ATOM 658 CD LYS A 43 -7.582 7.402 2.220 1.00 0.00 C ATOM 659 CE LYS A 43 -7.343 8.834 1.765 1.00 0.00 C ATOM 660 NZ LYS A 43 -8.207 9.802 2.494 1.00 0.00 N ATOM 0 H LYS A 43 -10.422 7.051 -1.720 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.031 5.615 0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.771 6.374 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.255 8.048 0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.683 7.641 2.588 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.175 5.975 2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.323 7.306 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.926 6.729 1.668 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.296 9.094 1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.535 8.911 0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.867 10.769 2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.187 9.714 2.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.172 9.600 3.513 1.00 0.00 H new ATOM 674 N LYS A 44 -11.827 8.834 0.755 1.00 0.00 N ATOM 675 CA LYS A 44 -12.660 9.799 1.467 1.00 0.00 C ATOM 676 C LYS A 44 -14.150 9.478 1.342 1.00 0.00 C ATOM 677 O LYS A 44 -14.899 9.590 2.311 1.00 0.00 O ATOM 678 CB LYS A 44 -12.391 11.213 0.951 1.00 0.00 C ATOM 679 CG LYS A 44 -10.947 11.659 1.119 1.00 0.00 C ATOM 680 CD LYS A 44 -10.737 13.075 0.610 1.00 0.00 C ATOM 681 CE LYS A 44 -11.072 13.193 -0.868 1.00 0.00 C ATOM 682 NZ LYS A 44 -10.856 14.575 -1.378 1.00 0.00 N ATOM 0 H LYS A 44 -11.281 9.230 -0.010 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.395 9.736 2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.657 11.262 -0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.042 11.912 1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.669 11.605 2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.290 10.977 0.580 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.360 13.764 1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.701 13.371 0.774 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.456 12.496 -1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.111 12.905 -1.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.096 14.613 -2.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.462 15.237 -0.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.859 14.841 -1.248 1.00 0.00 H new ATOM 696 N GLU A 45 -14.578 9.099 0.144 1.00 0.00 N ATOM 697 CA GLU A 45 -15.984 8.786 -0.105 1.00 0.00 C ATOM 698 C GLU A 45 -16.510 7.722 0.859 1.00 0.00 C ATOM 699 O GLU A 45 -17.573 7.890 1.457 1.00 0.00 O ATOM 700 CB GLU A 45 -16.173 8.318 -1.549 1.00 0.00 C ATOM 701 CG GLU A 45 -17.614 7.984 -1.898 1.00 0.00 C ATOM 702 CD GLU A 45 -17.774 7.519 -3.332 1.00 0.00 C ATOM 703 OE1 GLU A 45 -17.435 8.296 -4.249 1.00 0.00 O ATOM 704 OE2 GLU A 45 -18.236 6.376 -3.538 1.00 0.00 O ATOM 0 H GLU A 45 -13.974 9.000 -0.672 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.557 9.699 0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.816 9.096 -2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.553 7.438 -1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.976 7.206 -1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.237 8.863 -1.733 1.00 0.00 H new ATOM 711 N PHE A 46 -15.772 6.626 0.999 1.00 0.00 N ATOM 712 CA PHE A 46 -16.182 5.538 1.883 1.00 0.00 C ATOM 713 C PHE A 46 -16.125 5.948 3.351 1.00 0.00 C ATOM 714 O PHE A 46 -17.030 5.631 4.124 1.00 0.00 O ATOM 715 CB PHE A 46 -15.324 4.298 1.642 1.00 0.00 C ATOM 716 CG PHE A 46 -15.663 3.572 0.367 1.00 0.00 C ATOM 717 CD1 PHE A 46 -15.620 4.224 -0.857 1.00 0.00 C ATOM 718 CD2 PHE A 46 -16.024 2.236 0.395 1.00 0.00 C ATOM 719 CE1 PHE A 46 -15.933 3.555 -2.026 1.00 0.00 C ATOM 720 CE2 PHE A 46 -16.337 1.562 -0.770 1.00 0.00 C ATOM 721 CZ PHE A 46 -16.291 2.222 -1.982 1.00 0.00 C ATOM 0 H PHE A 46 -14.889 6.467 0.514 1.00 0.00 H new ATOM 0 HA PHE A 46 -17.219 5.300 1.648 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -14.275 4.591 1.616 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -15.443 3.615 2.483 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -15.339 5.266 -0.897 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -16.062 1.714 1.340 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -15.898 4.074 -2.972 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -16.617 0.520 -0.733 1.00 0.00 H new ATOM 0 HZ PHE A 46 -16.535 1.697 -2.894 1.00 0.00 H new ATOM 731 N ASP A 47 -15.070 6.657 3.733 1.00 0.00 N ATOM 732 CA ASP A 47 -14.922 7.105 5.114 1.00 0.00 C ATOM 733 C ASP A 47 -16.102 7.978 5.527 1.00 0.00 C ATOM 734 O ASP A 47 -16.573 7.912 6.661 1.00 0.00 O ATOM 735 CB ASP A 47 -13.615 7.882 5.291 1.00 0.00 C ATOM 736 CG ASP A 47 -12.396 6.985 5.242 1.00 0.00 C ATOM 737 OD1 ASP A 47 -12.238 6.252 4.246 1.00 0.00 O ATOM 738 OD2 ASP A 47 -11.596 7.020 6.198 1.00 0.00 O ATOM 0 H ASP A 47 -14.309 6.933 3.112 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.897 6.222 5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.537 8.638 4.510 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.636 8.409 6.245 1.00 0.00 H new ATOM 743 N LYS A 48 -16.564 8.801 4.600 1.00 0.00 N ATOM 744 CA LYS A 48 -17.680 9.702 4.855 1.00 0.00 C ATOM 745 C LYS A 48 -18.992 8.933 5.017 1.00 0.00 C ATOM 746 O LYS A 48 -19.771 9.196 5.933 1.00 0.00 O ATOM 747 CB LYS A 48 -17.804 10.699 3.700 1.00 0.00 C ATOM 748 CG LYS A 48 -18.370 12.047 4.111 1.00 0.00 C ATOM 749 CD LYS A 48 -19.695 11.906 4.838 1.00 0.00 C ATOM 750 CE LYS A 48 -20.200 13.249 5.331 1.00 0.00 C ATOM 751 NZ LYS A 48 -20.418 14.207 4.212 1.00 0.00 N ATOM 0 H LYS A 48 -16.181 8.865 3.657 1.00 0.00 H new ATOM 0 HA LYS A 48 -17.485 10.234 5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -16.820 10.849 3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.441 10.268 2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.655 12.560 4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.506 12.669 3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -20.433 11.461 4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -19.578 11.227 5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -21.134 13.108 5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.482 13.670 6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.934 15.039 4.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -19.499 14.506 3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -20.973 13.746 3.463 1.00 0.00 H new ATOM 765 N LYS A 49 -19.238 8.002 4.105 1.00 0.00 N ATOM 766 CA LYS A 49 -20.471 7.216 4.124 1.00 0.00 C ATOM 767 C LYS A 49 -20.423 6.060 5.120 1.00 0.00 C ATOM 768 O LYS A 49 -21.131 6.062 6.126 1.00 0.00 O ATOM 769 CB LYS A 49 -20.758 6.668 2.724 1.00 0.00 C ATOM 770 CG LYS A 49 -20.775 7.736 1.644 1.00 0.00 C ATOM 771 CD LYS A 49 -21.131 7.152 0.288 1.00 0.00 C ATOM 772 CE LYS A 49 -21.160 8.223 -0.790 1.00 0.00 C ATOM 773 NZ LYS A 49 -22.161 9.285 -0.493 1.00 0.00 N ATOM 0 H LYS A 49 -18.602 7.770 3.342 1.00 0.00 H new ATOM 0 HA LYS A 49 -21.269 7.887 4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -20.004 5.922 2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -21.721 6.157 2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -21.495 8.510 1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -19.797 8.215 1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -20.406 6.384 0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -22.105 6.665 0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -20.171 8.672 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -21.392 7.764 -1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -22.309 9.869 -1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -23.061 8.845 -0.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -21.813 9.883 0.283 1.00 0.00 H new ATOM 787 N TYR A 50 -19.614 5.059 4.807 1.00 0.00 N ATOM 788 CA TYR A 50 -19.496 3.867 5.645 1.00 0.00 C ATOM 789 C TYR A 50 -18.759 4.136 6.955 1.00 0.00 C ATOM 790 O TYR A 50 -18.808 3.314 7.868 1.00 0.00 O ATOM 791 CB TYR A 50 -18.812 2.746 4.860 1.00 0.00 C ATOM 792 CG TYR A 50 -19.560 2.333 3.603 1.00 0.00 C ATOM 793 CD1 TYR A 50 -20.766 2.934 3.246 1.00 0.00 C ATOM 794 CD2 TYR A 50 -19.057 1.342 2.769 1.00 0.00 C ATOM 795 CE1 TYR A 50 -21.442 2.558 2.103 1.00 0.00 C ATOM 796 CE2 TYR A 50 -19.727 0.962 1.623 1.00 0.00 C ATOM 797 CZ TYR A 50 -20.918 1.572 1.294 1.00 0.00 C ATOM 798 OH TYR A 50 -21.589 1.195 0.153 1.00 0.00 O ATOM 0 H TYR A 50 -19.025 5.046 3.975 1.00 0.00 H new ATOM 0 HA TYR A 50 -20.506 3.559 5.917 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -17.808 3.068 4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -18.701 1.877 5.508 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -21.179 3.708 3.876 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -18.124 0.860 3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -22.376 3.033 1.844 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -19.319 0.190 0.987 1.00 0.00 H new ATOM 0 HH TYR A 50 -21.085 0.490 -0.305 1.00 0.00 H new ATOM 808 N ASN A 51 -18.077 5.282 7.038 1.00 0.00 N ATOM 809 CA ASN A 51 -17.319 5.674 8.235 1.00 0.00 C ATOM 810 C ASN A 51 -15.860 5.251 8.111 1.00 0.00 C ATOM 811 O ASN A 51 -15.557 4.193 7.558 1.00 0.00 O ATOM 812 CB ASN A 51 -17.923 5.088 9.519 1.00 0.00 C ATOM 813 CG ASN A 51 -19.396 5.412 9.666 1.00 0.00 C ATOM 814 OD1 ASN A 51 -19.786 6.578 9.710 1.00 0.00 O ATOM 815 ND2 ASN A 51 -20.224 4.377 9.748 1.00 0.00 N ATOM 0 H ASN A 51 -18.033 5.964 6.281 1.00 0.00 H new ATOM 0 HA ASN A 51 -17.376 6.760 8.305 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.790 4.006 9.519 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.381 5.475 10.382 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -21.227 4.533 9.852 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -19.857 3.426 9.707 1.00 0.00 H new ATOM 822 N PRO A 52 -14.933 6.082 8.615 1.00 0.00 N ATOM 823 CA PRO A 52 -13.499 5.797 8.546 1.00 0.00 C ATOM 824 C PRO A 52 -13.075 4.632 9.445 1.00 0.00 C ATOM 825 O PRO A 52 -13.859 4.168 10.274 1.00 0.00 O ATOM 826 CB PRO A 52 -12.851 7.100 9.019 1.00 0.00 C ATOM 827 CG PRO A 52 -13.880 7.740 9.884 1.00 0.00 C ATOM 828 CD PRO A 52 -15.208 7.370 9.283 1.00 0.00 C ATOM 0 HA PRO A 52 -13.202 5.493 7.542 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.932 6.907 9.573 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.588 7.740 8.177 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.803 7.384 10.912 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -13.751 8.822 9.911 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.981 7.271 10.045 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -15.553 8.124 8.576 1.00 0.00 H new ATOM 836 N THR A 53 -11.831 4.156 9.283 1.00 0.00 N ATOM 837 CA THR A 53 -10.901 4.705 8.301 1.00 0.00 C ATOM 838 C THR A 53 -10.557 3.672 7.236 1.00 0.00 C ATOM 839 O THR A 53 -10.142 2.558 7.550 1.00 0.00 O ATOM 840 CB THR A 53 -9.628 5.181 8.997 1.00 0.00 C ATOM 841 OG1 THR A 53 -8.788 5.863 8.083 1.00 0.00 O ATOM 842 CG2 THR A 53 -8.821 4.056 9.612 1.00 0.00 C ATOM 0 H THR A 53 -11.449 3.384 9.829 1.00 0.00 H new ATOM 0 HA THR A 53 -11.383 5.552 7.812 1.00 0.00 H new ATOM 0 HB THR A 53 -9.964 5.840 9.797 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.685 6.795 8.367 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.931 4.466 10.089 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.426 3.539 10.356 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.524 3.353 8.833 1.00 0.00 H new ATOM 850 N TRP A 54 -10.743 4.051 5.976 1.00 0.00 N ATOM 851 CA TRP A 54 -10.464 3.158 4.860 1.00 0.00 C ATOM 852 C TRP A 54 -9.078 3.374 4.279 1.00 0.00 C ATOM 853 O TRP A 54 -8.670 4.501 4.001 1.00 0.00 O ATOM 854 CB TRP A 54 -11.502 3.338 3.762 1.00 0.00 C ATOM 855 CG TRP A 54 -12.884 3.019 4.217 1.00 0.00 C ATOM 856 CD1 TRP A 54 -13.585 3.652 5.198 1.00 0.00 C ATOM 857 CD2 TRP A 54 -13.720 1.968 3.732 1.00 0.00 C ATOM 858 NE1 TRP A 54 -14.822 3.079 5.335 1.00 0.00 N ATOM 859 CE2 TRP A 54 -14.929 2.037 4.448 1.00 0.00 C ATOM 860 CE3 TRP A 54 -13.566 0.979 2.754 1.00 0.00 C ATOM 861 CZ2 TRP A 54 -15.978 1.157 4.219 1.00 0.00 C ATOM 862 CZ3 TRP A 54 -14.610 0.102 2.529 1.00 0.00 C ATOM 863 CH2 TRP A 54 -15.803 0.197 3.258 1.00 0.00 C ATOM 0 H TRP A 54 -11.086 4.972 5.703 1.00 0.00 H new ATOM 0 HA TRP A 54 -10.509 2.142 5.253 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -11.471 4.367 3.404 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -11.246 2.698 2.917 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -13.220 4.484 5.782 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -15.545 3.378 5.989 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -12.650 0.903 2.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -16.899 1.227 4.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -14.505 -0.669 1.780 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -16.602 -0.502 3.058 1.00 0.00 H new ATOM 874 N HIS A 55 -8.376 2.270 4.070 1.00 0.00 N ATOM 875 CA HIS A 55 -7.048 2.305 3.487 1.00 0.00 C ATOM 876 C HIS A 55 -7.147 1.919 2.016 1.00 0.00 C ATOM 877 O HIS A 55 -7.728 0.883 1.678 1.00 0.00 O ATOM 878 CB HIS A 55 -6.123 1.348 4.239 1.00 0.00 C ATOM 879 CG HIS A 55 -6.193 1.518 5.726 1.00 0.00 C ATOM 880 ND1 HIS A 55 -5.928 2.711 6.363 1.00 0.00 N ATOM 881 CD2 HIS A 55 -6.518 0.637 6.703 1.00 0.00 C ATOM 882 CE1 HIS A 55 -6.084 2.557 7.666 1.00 0.00 C ATOM 883 NE2 HIS A 55 -6.442 1.309 7.897 1.00 0.00 N ATOM 0 H HIS A 55 -8.709 1.333 4.298 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.631 3.309 3.566 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.385 0.321 3.983 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -5.097 1.507 3.908 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.787 -0.400 6.567 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.942 3.323 8.414 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -6.632 0.908 8.815 1.00 0.00 H new ATOM 892 N CYS A 56 -6.609 2.761 1.142 1.00 0.00 N ATOM 893 CA CYS A 56 -6.676 2.502 -0.293 1.00 0.00 C ATOM 894 C CYS A 56 -5.291 2.334 -0.902 1.00 0.00 C ATOM 895 O CYS A 56 -4.342 3.021 -0.527 1.00 0.00 O ATOM 896 CB CYS A 56 -7.420 3.635 -1.001 1.00 0.00 C ATOM 897 SG CYS A 56 -9.147 3.809 -0.500 1.00 0.00 S ATOM 0 H CYS A 56 -6.125 3.622 1.397 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.219 1.567 -0.432 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.900 4.573 -0.807 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.380 3.465 -2.077 1.00 0.00 H new ATOM 0 HG CYS A 56 -9.798 4.473 -1.409 1.00 0.00 H new ATOM 903 N ILE A 57 -5.190 1.409 -1.851 1.00 0.00 N ATOM 904 CA ILE A 57 -3.933 1.136 -2.530 1.00 0.00 C ATOM 905 C ILE A 57 -4.189 0.813 -4.000 1.00 0.00 C ATOM 906 O ILE A 57 -5.193 0.184 -4.337 1.00 0.00 O ATOM 907 CB ILE A 57 -3.171 -0.039 -1.887 1.00 0.00 C ATOM 908 CG1 ILE A 57 -3.008 0.168 -0.377 1.00 0.00 C ATOM 909 CG2 ILE A 57 -1.814 -0.209 -2.548 1.00 0.00 C ATOM 910 CD1 ILE A 57 -4.283 -0.057 0.410 1.00 0.00 C ATOM 0 H ILE A 57 -5.971 0.834 -2.167 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.320 2.033 -2.440 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.755 -0.947 -2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.239 -0.510 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.653 1.182 -0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.285 -1.042 -2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.950 -0.411 -3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.232 0.704 -2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.090 0.108 1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.049 0.639 0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.628 -1.080 0.259 1.00 0.00 H new ATOM 922 N VAL A 58 -3.284 1.247 -4.872 1.00 0.00 N ATOM 923 CA VAL A 58 -3.425 1.004 -6.304 1.00 0.00 C ATOM 924 C VAL A 58 -2.072 1.077 -7.002 1.00 0.00 C ATOM 925 O VAL A 58 -1.282 1.990 -6.762 1.00 0.00 O ATOM 926 CB VAL A 58 -4.383 2.022 -6.961 1.00 0.00 C ATOM 927 CG1 VAL A 58 -4.581 1.705 -8.436 1.00 0.00 C ATOM 928 CG2 VAL A 58 -5.720 2.052 -6.236 1.00 0.00 C ATOM 0 H VAL A 58 -2.446 1.768 -4.613 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.842 0.003 -6.416 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.930 3.010 -6.882 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.259 2.435 -8.877 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.620 1.746 -8.949 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.006 0.706 -8.540 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.378 2.776 -6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.178 1.063 -6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.564 2.338 -5.196 1.00 0.00 H new ATOM 938 N GLY A 59 -1.818 0.107 -7.870 1.00 0.00 N ATOM 939 CA GLY A 59 -0.566 0.062 -8.600 1.00 0.00 C ATOM 940 C GLY A 59 -0.546 -1.076 -9.600 1.00 0.00 C ATOM 941 O GLY A 59 -1.525 -1.297 -10.310 1.00 0.00 O ATOM 0 H GLY A 59 -2.462 -0.655 -8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.413 1.007 -9.120 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.261 -0.054 -7.899 1.00 0.00 H new ATOM 945 N ARG A 60 0.560 -1.810 -9.655 1.00 0.00 N ATOM 946 CA ARG A 60 0.661 -2.938 -10.582 1.00 0.00 C ATOM 947 C ARG A 60 1.958 -3.727 -10.402 1.00 0.00 C ATOM 948 O ARG A 60 2.452 -4.327 -11.355 1.00 0.00 O ATOM 949 CB ARG A 60 0.553 -2.446 -12.026 1.00 0.00 C ATOM 950 CG ARG A 60 1.644 -1.466 -12.419 1.00 0.00 C ATOM 951 CD ARG A 60 1.501 -1.023 -13.868 1.00 0.00 C ATOM 952 NE ARG A 60 2.564 -0.103 -14.268 1.00 0.00 N ATOM 953 CZ ARG A 60 2.660 0.435 -15.481 1.00 0.00 C ATOM 954 NH1 ARG A 60 1.762 0.146 -16.416 1.00 0.00 N ATOM 955 NH2 ARG A 60 3.656 1.263 -15.762 1.00 0.00 N ATOM 0 H ARG A 60 1.388 -1.651 -9.081 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.166 -3.611 -10.357 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.589 -3.304 -12.697 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.418 -1.971 -12.167 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.604 -0.595 -11.766 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.620 -1.929 -12.274 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.516 -1.898 -14.518 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.533 -0.540 -14.006 1.00 0.00 H new ATOM 0 HE ARG A 60 3.274 0.141 -13.577 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.994 -0.491 -16.206 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.841 0.561 -17.344 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.349 1.488 -15.048 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.729 1.675 -16.692 1.00 0.00 H new ATOM 969 N ASN A 61 2.484 -3.743 -9.176 1.00 0.00 N ATOM 970 CA ASN A 61 3.708 -4.477 -8.850 1.00 0.00 C ATOM 971 C ASN A 61 4.313 -3.956 -7.546 1.00 0.00 C ATOM 972 O ASN A 61 5.178 -3.082 -7.551 1.00 0.00 O ATOM 973 CB ASN A 61 4.740 -4.399 -9.974 1.00 0.00 C ATOM 974 CG ASN A 61 5.224 -3.003 -10.214 1.00 0.00 C ATOM 975 OD1 ASN A 61 4.501 -2.153 -10.734 1.00 0.00 O ATOM 976 ND2 ASN A 61 6.454 -2.759 -9.807 1.00 0.00 N ATOM 0 H ASN A 61 2.075 -3.249 -8.383 1.00 0.00 H new ATOM 0 HA ASN A 61 3.432 -5.524 -8.726 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.589 -5.037 -9.728 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.302 -4.791 -10.892 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.852 -1.826 -9.917 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.008 -3.503 -9.382 1.00 0.00 H new ATOM 983 N PHE A 62 3.837 -4.495 -6.431 1.00 0.00 N ATOM 984 CA PHE A 62 4.310 -4.083 -5.113 1.00 0.00 C ATOM 985 C PHE A 62 3.823 -5.029 -4.021 1.00 0.00 C ATOM 986 O PHE A 62 2.660 -5.440 -4.005 1.00 0.00 O ATOM 987 CB PHE A 62 3.809 -2.675 -4.800 1.00 0.00 C ATOM 988 CG PHE A 62 2.311 -2.597 -4.715 1.00 0.00 C ATOM 989 CD1 PHE A 62 1.532 -2.839 -5.831 1.00 0.00 C ATOM 990 CD2 PHE A 62 1.683 -2.303 -3.517 1.00 0.00 C ATOM 991 CE1 PHE A 62 0.153 -2.788 -5.761 1.00 0.00 C ATOM 992 CE2 PHE A 62 0.306 -2.248 -3.437 1.00 0.00 C ATOM 993 CZ PHE A 62 -0.462 -2.493 -4.562 1.00 0.00 C ATOM 0 H PHE A 62 3.121 -5.221 -6.412 1.00 0.00 H new ATOM 0 HA PHE A 62 5.400 -4.105 -5.133 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.240 -2.342 -3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.161 -1.989 -5.570 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.008 -3.071 -6.772 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.277 -2.115 -2.635 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.442 -2.979 -6.642 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.172 -2.014 -2.497 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.540 -2.453 -4.501 1.00 0.00 H new ATOM 1003 N GLY A 63 4.713 -5.337 -3.087 1.00 0.00 N ATOM 1004 CA GLY A 63 4.348 -6.189 -1.970 1.00 0.00 C ATOM 1005 C GLY A 63 3.581 -5.393 -0.932 1.00 0.00 C ATOM 1006 O GLY A 63 3.956 -4.260 -0.626 1.00 0.00 O ATOM 0 H GLY A 63 5.680 -5.013 -3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.740 -7.022 -2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.245 -6.617 -1.521 1.00 0.00 H new ATOM 1010 N SER A 64 2.494 -5.948 -0.405 1.00 0.00 N ATOM 1011 CA SER A 64 1.690 -5.219 0.573 1.00 0.00 C ATOM 1012 C SER A 64 1.418 -6.027 1.836 1.00 0.00 C ATOM 1013 O SER A 64 1.261 -7.248 1.794 1.00 0.00 O ATOM 1014 CB SER A 64 0.363 -4.789 -0.056 1.00 0.00 C ATOM 1015 OG SER A 64 -0.413 -4.038 0.862 1.00 0.00 O ATOM 0 H SER A 64 2.153 -6.882 -0.632 1.00 0.00 H new ATOM 0 HA SER A 64 2.269 -4.344 0.867 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.555 -4.193 -0.948 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.195 -5.669 -0.375 1.00 0.00 H new ATOM 0 HG SER A 64 -1.256 -3.773 0.438 1.00 0.00 H new ATOM 1021 N TYR A 65 1.342 -5.313 2.957 1.00 0.00 N ATOM 1022 CA TYR A 65 1.064 -5.915 4.256 1.00 0.00 C ATOM 1023 C TYR A 65 0.398 -4.873 5.153 1.00 0.00 C ATOM 1024 O TYR A 65 0.933 -3.783 5.350 1.00 0.00 O ATOM 1025 CB TYR A 65 2.355 -6.428 4.894 1.00 0.00 C ATOM 1026 CG TYR A 65 2.129 -7.303 6.108 1.00 0.00 C ATOM 1027 CD1 TYR A 65 1.339 -8.443 6.025 1.00 0.00 C ATOM 1028 CD2 TYR A 65 2.711 -6.996 7.331 1.00 0.00 C ATOM 1029 CE1 TYR A 65 1.133 -9.250 7.127 1.00 0.00 C ATOM 1030 CE2 TYR A 65 2.510 -7.800 8.437 1.00 0.00 C ATOM 1031 CZ TYR A 65 1.721 -8.924 8.329 1.00 0.00 C ATOM 1032 OH TYR A 65 1.520 -9.727 9.430 1.00 0.00 O ATOM 0 H TYR A 65 1.472 -4.302 2.989 1.00 0.00 H new ATOM 0 HA TYR A 65 0.393 -6.765 4.129 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.918 -6.992 4.150 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.971 -5.576 5.181 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.878 -8.702 5.083 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.330 -6.115 7.419 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.514 -10.132 7.046 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.969 -7.548 9.381 1.00 0.00 H new ATOM 0 HH TYR A 65 0.776 -10.341 9.256 1.00 0.00 H new ATOM 1042 N VAL A 66 -0.789 -5.197 5.662 1.00 0.00 N ATOM 1043 CA VAL A 66 -1.548 -4.265 6.496 1.00 0.00 C ATOM 1044 C VAL A 66 -2.558 -4.997 7.377 1.00 0.00 C ATOM 1045 O VAL A 66 -2.862 -6.157 7.139 1.00 0.00 O ATOM 1046 CB VAL A 66 -2.323 -3.267 5.608 1.00 0.00 C ATOM 1047 CG1 VAL A 66 -3.060 -2.237 6.446 1.00 0.00 C ATOM 1048 CG2 VAL A 66 -1.394 -2.583 4.616 1.00 0.00 C ATOM 0 H VAL A 66 -1.246 -6.096 5.512 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.831 -3.742 7.128 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.064 -3.836 5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.595 -1.550 5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.771 -2.742 7.101 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.344 -1.679 7.049 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.966 -1.886 4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.620 -2.040 5.158 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.930 -3.333 3.975 1.00 0.00 H new ATOM 1058 N THR A 67 -3.091 -4.301 8.381 1.00 0.00 N ATOM 1059 CA THR A 67 -4.091 -4.875 9.278 1.00 0.00 C ATOM 1060 C THR A 67 -5.445 -4.214 9.026 1.00 0.00 C ATOM 1061 O THR A 67 -5.505 -3.072 8.574 1.00 0.00 O ATOM 1062 CB THR A 67 -3.675 -4.696 10.739 1.00 0.00 C ATOM 1063 OG1 THR A 67 -2.431 -5.328 10.986 1.00 0.00 O ATOM 1064 CG2 THR A 67 -4.679 -5.258 11.723 1.00 0.00 C ATOM 0 H THR A 67 -2.845 -3.334 8.593 1.00 0.00 H new ATOM 0 HA THR A 67 -4.171 -5.944 9.078 1.00 0.00 H new ATOM 0 HB THR A 67 -3.609 -3.619 10.890 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.890 -4.766 11.579 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.321 -5.097 12.740 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.637 -4.756 11.592 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.802 -6.327 11.547 1.00 0.00 H new ATOM 1072 N HIS A 68 -6.530 -4.940 9.286 1.00 0.00 N ATOM 1073 CA HIS A 68 -7.864 -4.402 9.041 1.00 0.00 C ATOM 1074 C HIS A 68 -8.950 -5.209 9.746 1.00 0.00 C ATOM 1075 O HIS A 68 -8.832 -6.423 9.916 1.00 0.00 O ATOM 1076 CB HIS A 68 -8.122 -4.403 7.540 1.00 0.00 C ATOM 1077 CG HIS A 68 -7.953 -5.762 6.942 1.00 0.00 C ATOM 1078 ND1 HIS A 68 -8.896 -6.758 7.062 1.00 0.00 N ATOM 1079 CD2 HIS A 68 -6.917 -6.304 6.263 1.00 0.00 C ATOM 1080 CE1 HIS A 68 -8.449 -7.855 6.483 1.00 0.00 C ATOM 1081 NE2 HIS A 68 -7.249 -7.609 5.989 1.00 0.00 N ATOM 0 H HIS A 68 -6.513 -5.888 9.661 1.00 0.00 H new ATOM 0 HA HIS A 68 -7.901 -3.389 9.442 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -9.133 -4.045 7.346 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -7.439 -3.706 7.055 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -6.000 -5.805 5.987 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.975 -8.796 6.423 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -6.665 -8.278 5.487 1.00 0.00 H new ATOM 1090 N GLU A 69 -10.010 -4.515 10.144 1.00 0.00 N ATOM 1091 CA GLU A 69 -11.140 -5.136 10.824 1.00 0.00 C ATOM 1092 C GLU A 69 -11.850 -6.137 9.910 1.00 0.00 C ATOM 1093 O GLU A 69 -11.955 -5.922 8.702 1.00 0.00 O ATOM 1094 CB GLU A 69 -12.118 -4.056 11.286 1.00 0.00 C ATOM 1095 CG GLU A 69 -13.344 -4.598 11.997 1.00 0.00 C ATOM 1096 CD GLU A 69 -12.994 -5.400 13.234 1.00 0.00 C ATOM 1097 OE1 GLU A 69 -12.366 -4.832 14.154 1.00 0.00 O ATOM 1098 OE2 GLU A 69 -13.346 -6.597 13.287 1.00 0.00 O ATOM 0 H GLU A 69 -10.110 -3.509 10.005 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.766 -5.681 11.691 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.597 -3.370 11.954 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.439 -3.476 10.420 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.993 -3.768 12.278 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.910 -5.226 11.309 1.00 0.00 H new ATOM 1105 N THR A 70 -12.333 -7.232 10.495 1.00 0.00 N ATOM 1106 CA THR A 70 -13.030 -8.269 9.736 1.00 0.00 C ATOM 1107 C THR A 70 -14.213 -7.701 8.962 1.00 0.00 C ATOM 1108 O THR A 70 -14.842 -6.734 9.390 1.00 0.00 O ATOM 1109 CB THR A 70 -13.518 -9.379 10.665 1.00 0.00 C ATOM 1110 OG1 THR A 70 -14.346 -8.852 11.687 1.00 0.00 O ATOM 1111 CG2 THR A 70 -12.397 -10.147 11.329 1.00 0.00 C ATOM 0 H THR A 70 -12.254 -7.424 11.494 1.00 0.00 H new ATOM 0 HA THR A 70 -12.316 -8.679 9.022 1.00 0.00 H new ATOM 0 HB THR A 70 -14.071 -10.065 10.024 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.835 -8.212 12.225 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.817 -10.919 11.974 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.773 -10.612 10.566 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.792 -9.465 11.926 1.00 0.00 H new ATOM 1119 N LYS A 71 -14.507 -8.312 7.817 1.00 0.00 N ATOM 1120 CA LYS A 71 -15.611 -7.874 6.970 1.00 0.00 C ATOM 1121 C LYS A 71 -15.375 -6.460 6.464 1.00 0.00 C ATOM 1122 O LYS A 71 -16.306 -5.662 6.341 1.00 0.00 O ATOM 1123 CB LYS A 71 -16.938 -7.961 7.724 1.00 0.00 C ATOM 1124 CG LYS A 71 -17.388 -9.389 7.984 1.00 0.00 C ATOM 1125 CD LYS A 71 -17.624 -10.137 6.679 1.00 0.00 C ATOM 1126 CE LYS A 71 -17.985 -11.591 6.925 1.00 0.00 C ATOM 1127 NZ LYS A 71 -18.262 -12.317 5.655 1.00 0.00 N ATOM 0 H LYS A 71 -13.993 -9.115 7.454 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.662 -8.540 6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.842 -7.438 8.676 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -17.708 -7.443 7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.633 -9.910 8.573 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -18.305 -9.383 8.574 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -18.425 -9.652 6.121 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -16.728 -10.084 6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.169 -12.083 7.454 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -18.861 -11.643 7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -18.504 -13.306 5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -19.057 -11.863 5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.418 -12.290 5.048 1.00 0.00 H new ATOM 1141 N HIS A 72 -14.120 -6.171 6.159 1.00 0.00 N ATOM 1142 CA HIS A 72 -13.725 -4.868 5.646 1.00 0.00 C ATOM 1143 C HIS A 72 -12.428 -4.992 4.856 1.00 0.00 C ATOM 1144 O HIS A 72 -11.474 -4.248 5.078 1.00 0.00 O ATOM 1145 CB HIS A 72 -13.549 -3.857 6.784 1.00 0.00 C ATOM 1146 CG HIS A 72 -14.814 -3.551 7.530 1.00 0.00 C ATOM 1147 ND1 HIS A 72 -15.407 -4.435 8.405 1.00 0.00 N ATOM 1148 CD2 HIS A 72 -15.603 -2.451 7.518 1.00 0.00 C ATOM 1149 CE1 HIS A 72 -16.507 -3.893 8.898 1.00 0.00 C ATOM 1150 NE2 HIS A 72 -16.647 -2.689 8.377 1.00 0.00 N ATOM 0 H HIS A 72 -13.348 -6.830 6.259 1.00 0.00 H new ATOM 0 HA HIS A 72 -14.516 -4.507 4.989 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -12.809 -4.241 7.486 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -13.148 -2.930 6.374 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -15.052 -5.363 8.636 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -15.441 -1.553 6.940 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -17.177 -4.357 9.607 1.00 0.00 H new ATOM 1159 N PHE A 73 -12.403 -5.952 3.938 1.00 0.00 N ATOM 1160 CA PHE A 73 -11.227 -6.200 3.114 1.00 0.00 C ATOM 1161 C PHE A 73 -11.627 -6.635 1.708 1.00 0.00 C ATOM 1162 O PHE A 73 -12.606 -7.356 1.524 1.00 0.00 O ATOM 1163 CB PHE A 73 -10.345 -7.269 3.767 1.00 0.00 C ATOM 1164 CG PHE A 73 -9.206 -7.728 2.903 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -8.287 -6.823 2.400 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -9.056 -9.071 2.592 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -7.241 -7.246 1.604 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -8.011 -9.500 1.797 1.00 0.00 C ATOM 1169 CZ PHE A 73 -7.103 -8.586 1.302 1.00 0.00 C ATOM 0 H PHE A 73 -13.188 -6.574 3.746 1.00 0.00 H new ATOM 0 HA PHE A 73 -10.663 -5.271 3.034 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.944 -6.875 4.701 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.963 -8.129 4.024 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.389 -5.773 2.633 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -9.765 -9.790 2.976 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.531 -6.529 1.218 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -7.905 -10.549 1.563 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.286 -8.919 0.679 1.00 0.00 H new ATOM 1179 N ILE A 74 -10.861 -6.186 0.719 1.00 0.00 N ATOM 1180 CA ILE A 74 -11.136 -6.525 -0.672 1.00 0.00 C ATOM 1181 C ILE A 74 -9.909 -6.300 -1.551 1.00 0.00 C ATOM 1182 O ILE A 74 -9.184 -5.318 -1.392 1.00 0.00 O ATOM 1183 CB ILE A 74 -12.315 -5.698 -1.226 1.00 0.00 C ATOM 1184 CG1 ILE A 74 -12.612 -6.089 -2.678 1.00 0.00 C ATOM 1185 CG2 ILE A 74 -12.013 -4.211 -1.125 1.00 0.00 C ATOM 1186 CD1 ILE A 74 -13.787 -5.345 -3.272 1.00 0.00 C ATOM 0 H ILE A 74 -10.046 -5.588 0.855 1.00 0.00 H new ATOM 0 HA ILE A 74 -11.400 -7.582 -0.694 1.00 0.00 H new ATOM 0 HB ILE A 74 -13.199 -5.913 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -11.727 -5.900 -3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -12.808 -7.160 -2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -12.854 -3.641 -1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.851 -3.943 -0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.117 -3.982 -1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -13.941 -5.670 -4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -14.683 -5.554 -2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -13.585 -4.274 -3.257 1.00 0.00 H new ATOM 1198 N TYR A 75 -9.691 -7.222 -2.482 1.00 0.00 N ATOM 1199 CA TYR A 75 -8.563 -7.146 -3.402 1.00 0.00 C ATOM 1200 C TYR A 75 -8.986 -7.656 -4.775 1.00 0.00 C ATOM 1201 O TYR A 75 -9.656 -8.683 -4.881 1.00 0.00 O ATOM 1202 CB TYR A 75 -7.389 -7.968 -2.867 1.00 0.00 C ATOM 1203 CG TYR A 75 -6.157 -7.911 -3.738 1.00 0.00 C ATOM 1204 CD1 TYR A 75 -5.556 -6.697 -4.047 1.00 0.00 C ATOM 1205 CD2 TYR A 75 -5.591 -9.072 -4.249 1.00 0.00 C ATOM 1206 CE1 TYR A 75 -4.427 -6.642 -4.840 1.00 0.00 C ATOM 1207 CE2 TYR A 75 -4.462 -9.026 -5.043 1.00 0.00 C ATOM 1208 CZ TYR A 75 -3.884 -7.810 -5.336 1.00 0.00 C ATOM 1209 OH TYR A 75 -2.760 -7.761 -6.126 1.00 0.00 O ATOM 0 H TYR A 75 -10.287 -8.038 -2.620 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.244 -6.108 -3.492 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.134 -7.612 -1.869 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.702 -9.007 -2.764 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.979 -5.781 -3.661 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -6.041 -10.027 -4.022 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.971 -5.690 -5.071 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.034 -9.938 -5.432 1.00 0.00 H new ATOM 0 HH TYR A 75 -3.019 -7.831 -7.069 1.00 0.00 H new ATOM 1219 N PHE A 76 -8.620 -6.927 -5.826 1.00 0.00 N ATOM 1220 CA PHE A 76 -9.003 -7.316 -7.176 1.00 0.00 C ATOM 1221 C PHE A 76 -8.237 -6.524 -8.235 1.00 0.00 C ATOM 1222 O PHE A 76 -8.050 -5.315 -8.109 1.00 0.00 O ATOM 1223 CB PHE A 76 -10.510 -7.111 -7.358 1.00 0.00 C ATOM 1224 CG PHE A 76 -10.961 -5.698 -7.110 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -10.833 -5.120 -5.857 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -11.510 -4.948 -8.135 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -11.246 -3.819 -5.632 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -11.926 -3.648 -7.919 1.00 0.00 C ATOM 1229 CZ PHE A 76 -11.793 -3.083 -6.665 1.00 0.00 C ATOM 0 H PHE A 76 -8.065 -6.073 -5.769 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.752 -8.368 -7.308 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.787 -7.399 -8.372 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.043 -7.778 -6.680 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.406 -5.692 -5.047 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.615 -5.385 -9.117 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.141 -3.380 -4.651 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.354 -3.075 -8.728 1.00 0.00 H new ATOM 0 HZ PHE A 76 -12.116 -2.067 -6.493 1.00 0.00 H new ATOM 1239 N TYR A 77 -7.804 -7.222 -9.284 1.00 0.00 N ATOM 1240 CA TYR A 77 -7.063 -6.594 -10.377 1.00 0.00 C ATOM 1241 C TYR A 77 -8.016 -6.004 -11.413 1.00 0.00 C ATOM 1242 O TYR A 77 -9.080 -6.561 -11.674 1.00 0.00 O ATOM 1243 CB TYR A 77 -6.134 -7.604 -11.052 1.00 0.00 C ATOM 1244 CG TYR A 77 -5.032 -8.125 -10.155 1.00 0.00 C ATOM 1245 CD1 TYR A 77 -5.324 -8.876 -9.023 1.00 0.00 C ATOM 1246 CD2 TYR A 77 -3.698 -7.864 -10.445 1.00 0.00 C ATOM 1247 CE1 TYR A 77 -4.317 -9.352 -8.206 1.00 0.00 C ATOM 1248 CE2 TYR A 77 -2.688 -8.338 -9.631 1.00 0.00 C ATOM 1249 CZ TYR A 77 -3.002 -9.080 -8.514 1.00 0.00 C ATOM 1250 OH TYR A 77 -1.996 -9.554 -7.702 1.00 0.00 O ATOM 0 H TYR A 77 -7.954 -8.224 -9.400 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.464 -5.789 -9.951 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.727 -8.446 -11.407 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.684 -7.138 -11.929 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.354 -9.091 -8.778 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -3.448 -7.282 -11.320 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.559 -9.935 -7.330 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.656 -8.128 -9.869 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.076 -9.150 -6.813 1.00 0.00 H new ATOM 1260 N LEU A 78 -7.623 -4.878 -12.003 1.00 0.00 N ATOM 1261 CA LEU A 78 -8.444 -4.219 -13.016 1.00 0.00 C ATOM 1262 C LEU A 78 -7.673 -3.096 -13.703 1.00 0.00 C ATOM 1263 O LEU A 78 -6.857 -2.416 -13.080 1.00 0.00 O ATOM 1264 CB LEU A 78 -9.724 -3.665 -12.390 1.00 0.00 C ATOM 1265 CG LEU A 78 -10.666 -2.950 -13.363 1.00 0.00 C ATOM 1266 CD1 LEU A 78 -11.073 -3.877 -14.500 1.00 0.00 C ATOM 1267 CD2 LEU A 78 -11.898 -2.429 -12.632 1.00 0.00 C ATOM 0 H LEU A 78 -6.744 -4.404 -11.798 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.709 -4.964 -13.767 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.266 -4.487 -11.921 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.450 -2.970 -11.596 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.133 -2.100 -13.789 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.742 -3.348 -15.179 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.184 -4.198 -15.043 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.584 -4.749 -14.093 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.555 -1.924 -13.340 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.430 -3.263 -12.175 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.591 -1.726 -11.857 1.00 0.00 H new ATOM 1279 N GLY A 79 -7.939 -2.910 -14.993 1.00 0.00 N ATOM 1280 CA GLY A 79 -7.266 -1.872 -15.752 1.00 0.00 C ATOM 1281 C GLY A 79 -5.758 -1.994 -15.687 1.00 0.00 C ATOM 1282 O GLY A 79 -5.049 -0.993 -15.581 1.00 0.00 O ATOM 0 H GLY A 79 -8.611 -3.462 -15.527 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.587 -1.921 -16.793 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.565 -0.895 -15.371 1.00 0.00 H new ATOM 1286 N GLN A 80 -5.269 -3.226 -15.745 1.00 0.00 N ATOM 1287 CA GLN A 80 -3.838 -3.487 -15.687 1.00 0.00 C ATOM 1288 C GLN A 80 -3.219 -2.843 -14.449 1.00 0.00 C ATOM 1289 O GLN A 80 -2.104 -2.326 -14.497 1.00 0.00 O ATOM 1290 CB GLN A 80 -3.149 -2.963 -16.949 1.00 0.00 C ATOM 1291 CG GLN A 80 -3.684 -3.575 -18.233 1.00 0.00 C ATOM 1292 CD GLN A 80 -2.990 -3.037 -19.468 1.00 0.00 C ATOM 1293 OE1 GLN A 80 -1.776 -3.176 -19.622 1.00 0.00 O ATOM 1294 NE2 GLN A 80 -3.757 -2.419 -20.357 1.00 0.00 N ATOM 0 H GLN A 80 -5.846 -4.063 -15.833 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.693 -4.566 -15.626 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -3.268 -1.881 -16.995 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -2.080 -3.163 -16.879 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.561 -4.657 -18.194 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.754 -3.378 -18.307 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.759 -2.326 -20.189 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.345 -2.037 -21.208 1.00 0.00 H new ATOM 1303 N VAL A 81 -3.953 -2.885 -13.341 1.00 0.00 N ATOM 1304 CA VAL A 81 -3.480 -2.308 -12.090 1.00 0.00 C ATOM 1305 C VAL A 81 -4.179 -2.947 -10.894 1.00 0.00 C ATOM 1306 O VAL A 81 -5.403 -3.073 -10.872 1.00 0.00 O ATOM 1307 CB VAL A 81 -3.697 -0.781 -12.052 1.00 0.00 C ATOM 1308 CG1 VAL A 81 -2.861 -0.095 -13.122 1.00 0.00 C ATOM 1309 CG2 VAL A 81 -5.169 -0.442 -12.226 1.00 0.00 C ATOM 0 H VAL A 81 -4.877 -3.313 -13.285 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.411 -2.510 -12.032 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.375 -0.415 -11.077 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.028 0.981 -13.079 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.806 -0.306 -12.950 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.150 -0.468 -14.104 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.299 0.640 -12.196 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.519 -0.823 -13.185 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.745 -0.899 -11.422 1.00 0.00 H new ATOM 1319 N ALA A 82 -3.390 -3.355 -9.906 1.00 0.00 N ATOM 1320 CA ALA A 82 -3.930 -3.989 -8.710 1.00 0.00 C ATOM 1321 C ALA A 82 -4.694 -2.992 -7.848 1.00 0.00 C ATOM 1322 O ALA A 82 -4.206 -1.895 -7.568 1.00 0.00 O ATOM 1323 CB ALA A 82 -2.809 -4.632 -7.905 1.00 0.00 C ATOM 0 H ALA A 82 -2.375 -3.258 -9.910 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.631 -4.761 -9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.225 -5.102 -7.014 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.310 -5.386 -8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.089 -3.869 -7.610 1.00 0.00 H new ATOM 1329 N ILE A 83 -5.890 -3.383 -7.426 1.00 0.00 N ATOM 1330 CA ILE A 83 -6.721 -2.531 -6.587 1.00 0.00 C ATOM 1331 C ILE A 83 -6.950 -3.177 -5.226 1.00 0.00 C ATOM 1332 O ILE A 83 -7.293 -4.355 -5.137 1.00 0.00 O ATOM 1333 CB ILE A 83 -8.085 -2.246 -7.253 1.00 0.00 C ATOM 1334 CG1 ILE A 83 -7.880 -1.595 -8.621 1.00 0.00 C ATOM 1335 CG2 ILE A 83 -8.938 -1.353 -6.361 1.00 0.00 C ATOM 1336 CD1 ILE A 83 -9.174 -1.293 -9.347 1.00 0.00 C ATOM 0 H ILE A 83 -6.306 -4.286 -7.652 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.191 -1.587 -6.456 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.608 -3.192 -7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -7.320 -0.669 -8.493 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -7.271 -2.253 -9.240 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.895 -1.162 -6.846 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -9.108 -1.849 -5.405 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.422 -0.408 -6.193 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.952 -0.832 -10.310 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.726 -2.219 -9.506 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.776 -0.610 -8.748 1.00 0.00 H new ATOM 1348 N LEU A 84 -6.750 -2.401 -4.167 1.00 0.00 N ATOM 1349 CA LEU A 84 -6.928 -2.903 -2.812 1.00 0.00 C ATOM 1350 C LEU A 84 -7.647 -1.877 -1.944 1.00 0.00 C ATOM 1351 O LEU A 84 -7.440 -0.672 -2.087 1.00 0.00 O ATOM 1352 CB LEU A 84 -5.571 -3.253 -2.202 1.00 0.00 C ATOM 1353 CG LEU A 84 -5.624 -3.841 -0.791 1.00 0.00 C ATOM 1354 CD1 LEU A 84 -6.425 -5.135 -0.781 1.00 0.00 C ATOM 1355 CD2 LEU A 84 -4.217 -4.075 -0.265 1.00 0.00 C ATOM 0 H LEU A 84 -6.465 -1.423 -4.222 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.542 -3.803 -2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.069 -3.965 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.957 -2.353 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.123 -3.128 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.452 -5.539 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.442 -4.936 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.956 -5.858 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.269 -4.494 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.694 -4.771 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.677 -3.128 -0.236 1.00 0.00 H new ATOM 1367 N LEU A 85 -8.499 -2.363 -1.048 1.00 0.00 N ATOM 1368 CA LEU A 85 -9.258 -1.489 -0.159 1.00 0.00 C ATOM 1369 C LEU A 85 -9.655 -2.221 1.118 1.00 0.00 C ATOM 1370 O LEU A 85 -9.968 -3.412 1.094 1.00 0.00 O ATOM 1371 CB LEU A 85 -10.509 -0.967 -0.870 1.00 0.00 C ATOM 1372 CG LEU A 85 -11.397 -0.054 -0.026 1.00 0.00 C ATOM 1373 CD1 LEU A 85 -10.613 1.160 0.452 1.00 0.00 C ATOM 1374 CD2 LEU A 85 -12.622 0.375 -0.818 1.00 0.00 C ATOM 0 H LEU A 85 -8.682 -3.358 -0.918 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.621 -0.646 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.201 -0.424 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.102 -1.819 -1.203 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.732 -0.610 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.261 1.799 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.767 0.832 1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.248 1.720 -0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -13.244 1.025 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -12.307 0.914 -1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -13.194 -0.506 -1.109 1.00 0.00 H new ATOM 1386 N PHE A 86 -9.641 -1.497 2.235 1.00 0.00 N ATOM 1387 CA PHE A 86 -10.000 -2.072 3.528 1.00 0.00 C ATOM 1388 C PHE A 86 -9.898 -1.018 4.625 1.00 0.00 C ATOM 1389 O PHE A 86 -8.902 -0.304 4.720 1.00 0.00 O ATOM 1390 CB PHE A 86 -9.104 -3.276 3.846 1.00 0.00 C ATOM 1391 CG PHE A 86 -7.633 -2.966 3.870 1.00 0.00 C ATOM 1392 CD1 PHE A 86 -7.080 -2.227 4.902 1.00 0.00 C ATOM 1393 CD2 PHE A 86 -6.805 -3.414 2.854 1.00 0.00 C ATOM 1394 CE1 PHE A 86 -5.729 -1.940 4.922 1.00 0.00 C ATOM 1395 CE2 PHE A 86 -5.452 -3.132 2.869 1.00 0.00 C ATOM 1396 CZ PHE A 86 -4.914 -2.394 3.904 1.00 0.00 C ATOM 0 H PHE A 86 -9.385 -0.510 2.270 1.00 0.00 H new ATOM 0 HA PHE A 86 -11.033 -2.418 3.481 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -9.393 -3.683 4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -9.287 -4.055 3.106 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -7.713 -1.871 5.701 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.221 -3.990 2.041 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.311 -1.361 5.732 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.817 -3.489 2.072 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.857 -2.172 3.918 1.00 0.00 H new ATOM 1406 N LYS A 87 -10.944 -0.907 5.439 1.00 0.00 N ATOM 1407 CA LYS A 87 -10.967 0.082 6.511 1.00 0.00 C ATOM 1408 C LYS A 87 -10.627 -0.535 7.855 1.00 0.00 C ATOM 1409 O LYS A 87 -10.536 -1.755 7.992 1.00 0.00 O ATOM 1410 CB LYS A 87 -12.328 0.782 6.570 1.00 0.00 C ATOM 1411 CG LYS A 87 -13.469 -0.091 7.071 1.00 0.00 C ATOM 1412 CD LYS A 87 -13.560 -0.101 8.591 1.00 0.00 C ATOM 1413 CE LYS A 87 -13.875 1.280 9.145 1.00 0.00 C ATOM 1414 NZ LYS A 87 -14.023 1.262 10.627 1.00 0.00 N ATOM 0 H LYS A 87 -11.782 -1.486 5.377 1.00 0.00 H new ATOM 0 HA LYS A 87 -10.200 0.824 6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.245 1.655 7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.578 1.147 5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.410 0.269 6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.330 -1.110 6.710 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.332 -0.804 8.905 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.618 -0.455 9.010 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.080 1.973 8.868 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.794 1.652 8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.655 2.150 11.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.028 1.163 10.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.489 0.460 11.019 1.00 0.00 H new ATOM 1428 N SER A 88 -10.436 0.327 8.847 1.00 0.00 N ATOM 1429 CA SER A 88 -10.100 -0.118 10.190 1.00 0.00 C ATOM 1430 C SER A 88 -10.842 0.699 11.238 1.00 0.00 C ATOM 1431 O SER A 88 -10.947 1.921 11.131 1.00 0.00 O ATOM 1432 CB SER A 88 -8.592 -0.007 10.420 1.00 0.00 C ATOM 1433 OG SER A 88 -8.240 -0.455 11.717 1.00 0.00 O ATOM 0 H SER A 88 -10.509 1.339 8.744 1.00 0.00 H new ATOM 0 HA SER A 88 -10.404 -1.160 10.286 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.062 -0.597 9.672 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.277 1.028 10.291 1.00 0.00 H new ATOM 0 HG SER A 88 -7.271 -0.376 11.839 1.00 0.00 H new ATOM 1536 N ALA B 6 19.542 3.729 2.603 1.00 0.00 N ATOM 1537 CA ALA B 6 18.165 4.088 2.266 1.00 0.00 C ATOM 1538 C ALA B 6 17.934 5.585 2.428 1.00 0.00 C ATOM 1539 O ALA B 6 18.284 6.168 3.453 1.00 0.00 O ATOM 1540 CB ALA B 6 17.183 3.310 3.131 1.00 0.00 C ATOM 0 HA ALA B 6 17.998 3.827 1.221 1.00 0.00 H new ATOM 0 HB1 ALA B 6 16.164 3.590 2.866 1.00 0.00 H new ATOM 0 HB2 ALA B 6 17.320 2.241 2.966 1.00 0.00 H new ATOM 0 HB3 ALA B 6 17.361 3.541 4.181 1.00 0.00 H new ATOM 1546 N VAL B 7 17.342 6.206 1.410 1.00 0.00 N ATOM 1547 CA VAL B 7 17.071 7.631 1.451 1.00 0.00 C ATOM 1548 C VAL B 7 15.673 7.922 1.975 1.00 0.00 C ATOM 1549 O VAL B 7 14.705 7.267 1.591 1.00 0.00 O ATOM 1550 CB VAL B 7 17.221 8.269 0.068 1.00 0.00 C ATOM 1551 CG1 VAL B 7 18.663 8.192 -0.408 1.00 0.00 C ATOM 1552 CG2 VAL B 7 16.284 7.609 -0.933 1.00 0.00 C ATOM 0 H VAL B 7 17.044 5.742 0.552 1.00 0.00 H new ATOM 0 HA VAL B 7 17.805 8.064 2.131 1.00 0.00 H new ATOM 0 HB VAL B 7 16.947 9.321 0.146 1.00 0.00 H new ATOM 0 HG11 VAL B 7 18.746 8.651 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL B 7 19.307 8.721 0.295 1.00 0.00 H new ATOM 0 HG13 VAL B 7 18.971 7.148 -0.467 1.00 0.00 H new ATOM 0 HG21 VAL B 7 16.407 8.077 -1.910 1.00 0.00 H new ATOM 0 HG22 VAL B 7 16.520 6.548 -1.007 1.00 0.00 H new ATOM 0 HG23 VAL B 7 15.253 7.729 -0.600 1.00 0.00 H new ATOM 1562 N ILE B 8 15.576 8.919 2.845 1.00 0.00 N ATOM 1563 CA ILE B 8 14.294 9.307 3.423 1.00 0.00 C ATOM 1564 C ILE B 8 13.521 10.224 2.481 1.00 0.00 C ATOM 1565 O ILE B 8 14.108 11.056 1.789 1.00 0.00 O ATOM 1566 CB ILE B 8 14.465 10.008 4.786 1.00 0.00 C ATOM 1567 CG1 ILE B 8 13.100 10.214 5.447 1.00 0.00 C ATOM 1568 CG2 ILE B 8 15.191 11.338 4.626 1.00 0.00 C ATOM 1569 CD1 ILE B 8 12.483 8.938 5.972 1.00 0.00 C ATOM 0 H ILE B 8 16.369 9.474 3.166 1.00 0.00 H new ATOM 0 HA ILE B 8 13.731 8.386 3.575 1.00 0.00 H new ATOM 0 HB ILE B 8 15.072 9.370 5.428 1.00 0.00 H new ATOM 0 HG12 ILE B 8 13.207 10.921 6.270 1.00 0.00 H new ATOM 0 HG13 ILE B 8 12.420 10.666 4.725 1.00 0.00 H new ATOM 0 HG21 ILE B 8 15.299 11.813 5.601 1.00 0.00 H new ATOM 0 HG22 ILE B 8 16.177 11.165 4.195 1.00 0.00 H new ATOM 0 HG23 ILE B 8 14.617 11.989 3.967 1.00 0.00 H new ATOM 0 HD11 ILE B 8 11.518 9.161 6.427 1.00 0.00 H new ATOM 0 HD12 ILE B 8 12.343 8.236 5.150 1.00 0.00 H new ATOM 0 HD13 ILE B 8 13.142 8.495 6.719 1.00 0.00 H new ATOM 1581 N LYS B 9 12.204 10.061 2.452 1.00 0.00 N ATOM 1582 CA LYS B 9 11.357 10.873 1.587 1.00 0.00 C ATOM 1583 C LYS B 9 10.465 11.811 2.392 1.00 0.00 C ATOM 1584 O LYS B 9 10.260 12.962 2.009 1.00 0.00 O ATOM 1585 CB LYS B 9 10.494 9.976 0.703 1.00 0.00 C ATOM 1586 CG LYS B 9 11.302 9.050 -0.188 1.00 0.00 C ATOM 1587 CD LYS B 9 12.230 9.831 -1.105 1.00 0.00 C ATOM 1588 CE LYS B 9 11.456 10.776 -2.011 1.00 0.00 C ATOM 1589 NZ LYS B 9 12.356 11.541 -2.917 1.00 0.00 N ATOM 0 H LYS B 9 11.700 9.376 3.016 1.00 0.00 H new ATOM 0 HA LYS B 9 12.012 11.482 0.963 1.00 0.00 H new ATOM 0 HB2 LYS B 9 9.838 9.378 1.336 1.00 0.00 H new ATOM 0 HB3 LYS B 9 9.854 10.600 0.080 1.00 0.00 H new ATOM 0 HG2 LYS B 9 11.887 8.368 0.429 1.00 0.00 H new ATOM 0 HG3 LYS B 9 10.627 8.438 -0.787 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.940 10.401 -0.506 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.811 9.137 -1.713 1.00 0.00 H new ATOM 0 HE2 LYS B 9 10.743 10.205 -2.606 1.00 0.00 H new ATOM 0 HE3 LYS B 9 10.879 11.471 -1.401 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 11.789 12.173 -3.517 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 13.020 12.106 -2.350 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.888 10.879 -3.517 1.00 0.00 H new ATOM 1603 N ASN B 10 9.923 11.316 3.502 1.00 0.00 N ATOM 1604 CA ASN B 10 9.040 12.128 4.336 1.00 0.00 C ATOM 1605 C ASN B 10 9.543 12.225 5.772 1.00 0.00 C ATOM 1606 O ASN B 10 9.664 13.321 6.320 1.00 0.00 O ATOM 1607 CB ASN B 10 7.622 11.552 4.322 1.00 0.00 C ATOM 1608 CG ASN B 10 7.012 11.545 2.934 1.00 0.00 C ATOM 1609 OD1 ASN B 10 6.897 12.588 2.290 1.00 0.00 O ATOM 1610 ND2 ASN B 10 6.614 10.367 2.468 1.00 0.00 N ATOM 0 H ASN B 10 10.077 10.367 3.842 1.00 0.00 H new ATOM 0 HA ASN B 10 9.031 13.134 3.917 1.00 0.00 H new ATOM 0 HB2 ASN B 10 7.643 10.534 4.711 1.00 0.00 H new ATOM 0 HB3 ASN B 10 6.989 12.136 4.990 1.00 0.00 H new ATOM 0 HD21 ASN B 10 6.193 10.301 1.541 1.00 0.00 H new ATOM 0 HD22 ASN B 10 6.729 9.528 3.037 1.00 0.00 H new ATOM 1617 N ALA B 11 9.829 11.080 6.380 1.00 0.00 N ATOM 1618 CA ALA B 11 10.308 11.048 7.757 1.00 0.00 C ATOM 1619 C ALA B 11 9.247 11.597 8.710 1.00 0.00 C ATOM 1620 O ALA B 11 8.707 12.682 8.492 1.00 0.00 O ATOM 1621 CB ALA B 11 11.601 11.840 7.889 1.00 0.00 C ATOM 0 H ALA B 11 9.738 10.163 5.943 1.00 0.00 H new ATOM 0 HA ALA B 11 10.507 10.011 8.026 1.00 0.00 H new ATOM 0 HB1 ALA B 11 11.945 11.806 8.923 1.00 0.00 H new ATOM 0 HB2 ALA B 11 12.361 11.406 7.239 1.00 0.00 H new ATOM 0 HB3 ALA B 11 11.424 12.876 7.599 1.00 0.00 H new ATOM 1627 N ASP B 12 8.953 10.843 9.764 1.00 0.00 N ATOM 1628 CA ASP B 12 7.952 11.255 10.747 1.00 0.00 C ATOM 1629 C ASP B 12 7.835 10.219 11.860 1.00 0.00 C ATOM 1630 O ASP B 12 6.796 9.582 12.027 1.00 0.00 O ATOM 1631 CB ASP B 12 6.592 11.460 10.072 1.00 0.00 C ATOM 1632 CG ASP B 12 5.561 12.065 11.006 1.00 0.00 C ATOM 1633 OD1 ASP B 12 5.256 11.442 12.043 1.00 0.00 O ATOM 1634 OD2 ASP B 12 5.060 13.169 10.699 1.00 0.00 O ATOM 0 H ASP B 12 9.392 9.944 9.961 1.00 0.00 H new ATOM 0 HA ASP B 12 8.272 12.201 11.185 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.715 12.108 9.205 1.00 0.00 H new ATOM 0 HB3 ASP B 12 6.225 10.502 9.704 1.00 0.00 H new ATOM 1639 N MET B 13 8.917 10.046 12.614 1.00 0.00 N ATOM 1640 CA MET B 13 8.942 9.078 13.702 1.00 0.00 C ATOM 1641 C MET B 13 10.277 9.135 14.442 1.00 0.00 C ATOM 1642 O MET B 13 11.293 9.526 13.873 1.00 0.00 O ATOM 1643 CB MET B 13 8.704 7.667 13.160 1.00 0.00 C ATOM 1644 CG MET B 13 8.596 6.607 14.244 1.00 0.00 C ATOM 1645 SD MET B 13 8.408 4.943 13.573 1.00 0.00 S ATOM 1646 CE MET B 13 6.868 5.105 12.673 1.00 0.00 C ATOM 0 H MET B 13 9.787 10.564 12.490 1.00 0.00 H new ATOM 0 HA MET B 13 8.145 9.328 14.403 1.00 0.00 H new ATOM 0 HB2 MET B 13 7.788 7.664 12.569 1.00 0.00 H new ATOM 0 HB3 MET B 13 9.519 7.404 12.486 1.00 0.00 H new ATOM 0 HG2 MET B 13 9.486 6.643 14.872 1.00 0.00 H new ATOM 0 HG3 MET B 13 7.744 6.834 14.885 1.00 0.00 H new ATOM 0 HE1 MET B 13 6.996 4.720 11.661 1.00 0.00 H new ATOM 0 HE2 MET B 13 6.088 4.538 13.181 1.00 0.00 H new ATOM 0 HE3 MET B 13 6.582 6.156 12.628 1.00 0.00 H new ATOM 1656 N SER B 14 10.262 8.750 15.719 1.00 0.00 N ATOM 1657 CA SER B 14 11.471 8.763 16.547 1.00 0.00 C ATOM 1658 C SER B 14 12.682 8.224 15.785 1.00 0.00 C ATOM 1659 O SER B 14 12.574 7.264 15.022 1.00 0.00 O ATOM 1660 CB SER B 14 11.248 7.939 17.817 1.00 0.00 C ATOM 1661 OG SER B 14 10.182 8.463 18.587 1.00 0.00 O ATOM 0 H SER B 14 9.425 8.425 16.204 1.00 0.00 H new ATOM 0 HA SER B 14 11.677 9.799 16.816 1.00 0.00 H new ATOM 0 HB2 SER B 14 11.032 6.905 17.549 1.00 0.00 H new ATOM 0 HB3 SER B 14 12.161 7.930 18.413 1.00 0.00 H new ATOM 0 HG SER B 14 10.060 7.917 19.391 1.00 0.00 H new ATOM 1667 N GLU B 15 13.834 8.862 15.996 1.00 0.00 N ATOM 1668 CA GLU B 15 15.077 8.471 15.329 1.00 0.00 C ATOM 1669 C GLU B 15 15.345 6.977 15.459 1.00 0.00 C ATOM 1670 O GLU B 15 15.636 6.304 14.473 1.00 0.00 O ATOM 1671 CB GLU B 15 16.253 9.256 15.908 1.00 0.00 C ATOM 1672 CG GLU B 15 16.120 10.762 15.741 1.00 0.00 C ATOM 1673 CD GLU B 15 17.300 11.522 16.319 1.00 0.00 C ATOM 1674 OE1 GLU B 15 18.225 10.871 16.852 1.00 0.00 O ATOM 1675 OE2 GLU B 15 17.299 12.768 16.238 1.00 0.00 O ATOM 0 H GLU B 15 13.932 9.657 16.628 1.00 0.00 H new ATOM 0 HA GLU B 15 14.966 8.701 14.269 1.00 0.00 H new ATOM 0 HB2 GLU B 15 16.348 9.023 16.969 1.00 0.00 H new ATOM 0 HB3 GLU B 15 17.173 8.925 15.426 1.00 0.00 H new ATOM 0 HG2 GLU B 15 16.024 10.999 14.681 1.00 0.00 H new ATOM 0 HG3 GLU B 15 15.204 11.098 16.227 1.00 0.00 H new ATOM 1682 N GLU B 16 15.252 6.470 16.679 1.00 0.00 N ATOM 1683 CA GLU B 16 15.494 5.056 16.939 1.00 0.00 C ATOM 1684 C GLU B 16 14.559 4.171 16.128 1.00 0.00 C ATOM 1685 O GLU B 16 14.981 3.163 15.562 1.00 0.00 O ATOM 1686 CB GLU B 16 15.339 4.754 18.431 1.00 0.00 C ATOM 1687 CG GLU B 16 13.955 5.072 18.974 1.00 0.00 C ATOM 1688 CD GLU B 16 13.821 4.765 20.454 1.00 0.00 C ATOM 1689 OE1 GLU B 16 14.813 4.303 21.057 1.00 0.00 O ATOM 1690 OE2 GLU B 16 12.725 4.986 21.008 1.00 0.00 O ATOM 0 H GLU B 16 15.011 7.016 17.506 1.00 0.00 H new ATOM 0 HA GLU B 16 16.517 4.835 16.633 1.00 0.00 H new ATOM 0 HB2 GLU B 16 15.555 3.700 18.604 1.00 0.00 H new ATOM 0 HB3 GLU B 16 16.080 5.327 18.988 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.736 6.126 18.805 1.00 0.00 H new ATOM 0 HG3 GLU B 16 13.211 4.499 18.420 1.00 0.00 H new ATOM 1697 N MET B 17 13.291 4.546 16.078 1.00 0.00 N ATOM 1698 CA MET B 17 12.307 3.772 15.336 1.00 0.00 C ATOM 1699 C MET B 17 12.608 3.786 13.844 1.00 0.00 C ATOM 1700 O MET B 17 12.565 2.747 13.185 1.00 0.00 O ATOM 1701 CB MET B 17 10.901 4.309 15.595 1.00 0.00 C ATOM 1702 CG MET B 17 10.515 4.322 17.064 1.00 0.00 C ATOM 1703 SD MET B 17 8.851 4.961 17.341 1.00 0.00 S ATOM 1704 CE MET B 17 8.734 4.842 19.123 1.00 0.00 C ATOM 0 H MET B 17 12.920 5.377 16.539 1.00 0.00 H new ATOM 0 HA MET B 17 12.361 2.740 15.684 1.00 0.00 H new ATOM 0 HB2 MET B 17 10.830 5.323 15.201 1.00 0.00 H new ATOM 0 HB3 MET B 17 10.182 3.702 15.045 1.00 0.00 H new ATOM 0 HG2 MET B 17 10.582 3.309 17.462 1.00 0.00 H new ATOM 0 HG3 MET B 17 11.230 4.930 17.618 1.00 0.00 H new ATOM 0 HE1 MET B 17 7.758 5.202 19.448 1.00 0.00 H new ATOM 0 HE2 MET B 17 8.858 3.803 19.427 1.00 0.00 H new ATOM 0 HE3 MET B 17 9.515 5.449 19.580 1.00 0.00 H new ATOM 1714 N GLN B 18 12.910 4.963 13.310 1.00 0.00 N ATOM 1715 CA GLN B 18 13.211 5.091 11.892 1.00 0.00 C ATOM 1716 C GLN B 18 14.509 4.378 11.533 1.00 0.00 C ATOM 1717 O GLN B 18 14.604 3.751 10.477 1.00 0.00 O ATOM 1718 CB GLN B 18 13.276 6.559 11.479 1.00 0.00 C ATOM 1719 CG GLN B 18 14.244 7.390 12.299 1.00 0.00 C ATOM 1720 CD GLN B 18 14.199 8.855 11.921 1.00 0.00 C ATOM 1721 OE1 GLN B 18 14.657 9.248 10.848 1.00 0.00 O ATOM 1722 NE2 GLN B 18 13.619 9.666 12.794 1.00 0.00 N ATOM 0 H GLN B 18 12.953 5.837 13.835 1.00 0.00 H new ATOM 0 HA GLN B 18 12.401 4.613 11.341 1.00 0.00 H new ATOM 0 HB2 GLN B 18 13.562 6.618 10.429 1.00 0.00 H new ATOM 0 HB3 GLN B 18 12.280 6.993 11.562 1.00 0.00 H new ATOM 0 HG2 GLN B 18 14.007 7.282 13.357 1.00 0.00 H new ATOM 0 HG3 GLN B 18 15.256 7.011 12.158 1.00 0.00 H new ATOM 0 HE21 GLN B 18 13.254 9.294 13.671 1.00 0.00 H new ATOM 0 HE22 GLN B 18 13.538 10.662 12.589 1.00 0.00 H new ATOM 1731 N GLN B 19 15.508 4.462 12.407 1.00 0.00 N ATOM 1732 CA GLN B 19 16.780 3.803 12.143 1.00 0.00 C ATOM 1733 C GLN B 19 16.636 2.293 12.301 1.00 0.00 C ATOM 1734 O GLN B 19 17.222 1.521 11.542 1.00 0.00 O ATOM 1735 CB GLN B 19 17.885 4.337 13.058 1.00 0.00 C ATOM 1736 CG GLN B 19 17.665 4.051 14.531 1.00 0.00 C ATOM 1737 CD GLN B 19 18.845 4.483 15.383 1.00 0.00 C ATOM 1738 OE1 GLN B 19 19.911 3.869 15.341 1.00 0.00 O ATOM 1739 NE2 GLN B 19 18.671 5.558 16.142 1.00 0.00 N ATOM 0 H GLN B 19 15.463 4.971 13.290 1.00 0.00 H new ATOM 0 HA GLN B 19 17.066 4.023 11.115 1.00 0.00 H new ATOM 0 HB2 GLN B 19 18.836 3.901 12.753 1.00 0.00 H new ATOM 0 HB3 GLN B 19 17.969 5.415 12.917 1.00 0.00 H new ATOM 0 HG2 GLN B 19 16.767 4.568 14.869 1.00 0.00 H new ATOM 0 HG3 GLN B 19 17.490 2.984 14.670 1.00 0.00 H new ATOM 0 HE21 GLN B 19 17.771 6.038 16.148 1.00 0.00 H new ATOM 0 HE22 GLN B 19 19.437 5.904 16.719 1.00 0.00 H new ATOM 1748 N ASP B 20 15.837 1.878 13.282 1.00 0.00 N ATOM 1749 CA ASP B 20 15.605 0.460 13.523 1.00 0.00 C ATOM 1750 C ASP B 20 14.769 -0.135 12.400 1.00 0.00 C ATOM 1751 O ASP B 20 14.971 -1.282 12.005 1.00 0.00 O ATOM 1752 CB ASP B 20 14.910 0.251 14.871 1.00 0.00 C ATOM 1753 CG ASP B 20 14.676 -1.215 15.180 1.00 0.00 C ATOM 1754 OD1 ASP B 20 15.665 -1.974 15.246 1.00 0.00 O ATOM 1755 OD2 ASP B 20 13.502 -1.604 15.358 1.00 0.00 O ATOM 0 H ASP B 20 15.342 2.502 13.919 1.00 0.00 H new ATOM 0 HA ASP B 20 16.569 -0.049 13.549 1.00 0.00 H new ATOM 0 HB2 ASP B 20 15.516 0.694 15.662 1.00 0.00 H new ATOM 0 HB3 ASP B 20 13.955 0.776 14.869 1.00 0.00 H new ATOM 1760 N SER B 21 13.836 0.654 11.882 1.00 0.00 N ATOM 1761 CA SER B 21 12.984 0.203 10.792 1.00 0.00 C ATOM 1762 C SER B 21 13.808 0.028 9.523 1.00 0.00 C ATOM 1763 O SER B 21 13.686 -0.977 8.824 1.00 0.00 O ATOM 1764 CB SER B 21 11.851 1.202 10.549 1.00 0.00 C ATOM 1765 OG SER B 21 11.050 1.359 11.707 1.00 0.00 O ATOM 0 H SER B 21 13.651 1.606 12.199 1.00 0.00 H new ATOM 0 HA SER B 21 12.547 -0.757 11.067 1.00 0.00 H new ATOM 0 HB2 SER B 21 12.269 2.166 10.259 1.00 0.00 H new ATOM 0 HB3 SER B 21 11.232 0.860 9.719 1.00 0.00 H new ATOM 0 HG SER B 21 11.090 0.541 12.246 1.00 0.00 H new ATOM 1771 N VAL B 22 14.661 1.009 9.244 1.00 0.00 N ATOM 1772 CA VAL B 22 15.518 0.963 8.069 1.00 0.00 C ATOM 1773 C VAL B 22 16.488 -0.208 8.167 1.00 0.00 C ATOM 1774 O VAL B 22 16.654 -0.973 7.215 1.00 0.00 O ATOM 1775 CB VAL B 22 16.314 2.274 7.901 1.00 0.00 C ATOM 1776 CG1 VAL B 22 17.176 2.230 6.647 1.00 0.00 C ATOM 1777 CG2 VAL B 22 15.371 3.467 7.865 1.00 0.00 C ATOM 0 H VAL B 22 14.776 1.845 9.817 1.00 0.00 H new ATOM 0 HA VAL B 22 14.875 0.834 7.198 1.00 0.00 H new ATOM 0 HB VAL B 22 16.976 2.384 8.760 1.00 0.00 H new ATOM 0 HG11 VAL B 22 17.727 3.166 6.551 1.00 0.00 H new ATOM 0 HG12 VAL B 22 17.879 1.400 6.718 1.00 0.00 H new ATOM 0 HG13 VAL B 22 16.540 2.093 5.773 1.00 0.00 H new ATOM 0 HG21 VAL B 22 15.948 4.384 7.746 1.00 0.00 H new ATOM 0 HG22 VAL B 22 14.682 3.361 7.027 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.806 3.512 8.796 1.00 0.00 H new ATOM 1787 N GLU B 23 17.113 -0.348 9.329 1.00 0.00 N ATOM 1788 CA GLU B 23 18.051 -1.430 9.562 1.00 0.00 C ATOM 1789 C GLU B 23 17.321 -2.765 9.554 1.00 0.00 C ATOM 1790 O GLU B 23 17.788 -3.744 8.973 1.00 0.00 O ATOM 1791 CB GLU B 23 18.766 -1.230 10.899 1.00 0.00 C ATOM 1792 CG GLU B 23 19.759 -2.328 11.225 1.00 0.00 C ATOM 1793 CD GLU B 23 20.455 -2.113 12.555 1.00 0.00 C ATOM 1794 OE1 GLU B 23 19.755 -2.056 13.588 1.00 0.00 O ATOM 1795 OE2 GLU B 23 21.699 -2.002 12.563 1.00 0.00 O ATOM 0 H GLU B 23 16.985 0.278 10.124 1.00 0.00 H new ATOM 0 HA GLU B 23 18.793 -1.429 8.764 1.00 0.00 H new ATOM 0 HB2 GLU B 23 19.287 -0.273 10.883 1.00 0.00 H new ATOM 0 HB3 GLU B 23 18.023 -1.175 11.695 1.00 0.00 H new ATOM 0 HG2 GLU B 23 19.241 -3.287 11.242 1.00 0.00 H new ATOM 0 HG3 GLU B 23 20.506 -2.383 10.433 1.00 0.00 H new ATOM 1802 N CYS B 24 16.161 -2.788 10.200 1.00 0.00 N ATOM 1803 CA CYS B 24 15.343 -3.991 10.272 1.00 0.00 C ATOM 1804 C CYS B 24 14.887 -4.423 8.882 1.00 0.00 C ATOM 1805 O CYS B 24 14.765 -5.615 8.602 1.00 0.00 O ATOM 1806 CB CYS B 24 14.129 -3.755 11.171 1.00 0.00 C ATOM 1807 SG CYS B 24 13.049 -5.195 11.349 1.00 0.00 S ATOM 0 H CYS B 24 15.765 -1.982 10.684 1.00 0.00 H new ATOM 0 HA CYS B 24 15.951 -4.789 10.699 1.00 0.00 H new ATOM 0 HB2 CYS B 24 14.476 -3.450 12.158 1.00 0.00 H new ATOM 0 HB3 CYS B 24 13.547 -2.926 10.767 1.00 0.00 H new ATOM 0 HG CYS B 24 13.237 -6.005 10.349 1.00 0.00 H new ATOM 1813 N ALA B 25 14.644 -3.446 8.013 1.00 0.00 N ATOM 1814 CA ALA B 25 14.213 -3.729 6.653 1.00 0.00 C ATOM 1815 C ALA B 25 15.353 -4.346 5.867 1.00 0.00 C ATOM 1816 O ALA B 25 15.153 -5.255 5.061 1.00 0.00 O ATOM 1817 CB ALA B 25 13.718 -2.460 5.976 1.00 0.00 C ATOM 0 H ALA B 25 14.739 -2.454 8.229 1.00 0.00 H new ATOM 0 HA ALA B 25 13.387 -4.439 6.686 1.00 0.00 H new ATOM 0 HB1 ALA B 25 13.400 -2.690 4.959 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.876 -2.053 6.536 1.00 0.00 H new ATOM 0 HB3 ALA B 25 14.523 -1.726 5.946 1.00 0.00 H new ATOM 1823 N THR B 26 16.557 -3.843 6.114 1.00 0.00 N ATOM 1824 CA THR B 26 17.741 -4.341 5.439 1.00 0.00 C ATOM 1825 C THR B 26 17.972 -5.807 5.781 1.00 0.00 C ATOM 1826 O THR B 26 18.207 -6.639 4.902 1.00 0.00 O ATOM 1827 CB THR B 26 18.964 -3.504 5.821 1.00 0.00 C ATOM 1828 OG1 THR B 26 18.759 -2.141 5.497 1.00 0.00 O ATOM 1829 CG2 THR B 26 20.235 -3.951 5.135 1.00 0.00 C ATOM 0 H THR B 26 16.735 -3.090 6.778 1.00 0.00 H new ATOM 0 HA THR B 26 17.587 -4.258 4.363 1.00 0.00 H new ATOM 0 HB THR B 26 19.083 -3.642 6.896 1.00 0.00 H new ATOM 0 HG1 THR B 26 18.070 -1.765 6.084 1.00 0.00 H new ATOM 0 HG21 THR B 26 21.062 -3.315 5.451 1.00 0.00 H new ATOM 0 HG22 THR B 26 20.449 -4.985 5.404 1.00 0.00 H new ATOM 0 HG23 THR B 26 20.111 -3.875 4.055 1.00 0.00 H new ATOM 1837 N GLN B 27 17.888 -6.115 7.070 1.00 0.00 N ATOM 1838 CA GLN B 27 18.073 -7.481 7.541 1.00 0.00 C ATOM 1839 C GLN B 27 17.040 -8.403 6.906 1.00 0.00 C ATOM 1840 O GLN B 27 17.350 -9.530 6.518 1.00 0.00 O ATOM 1841 CB GLN B 27 17.961 -7.537 9.067 1.00 0.00 C ATOM 1842 CG GLN B 27 18.988 -6.676 9.784 1.00 0.00 C ATOM 1843 CD GLN B 27 18.856 -6.747 11.292 1.00 0.00 C ATOM 1844 OE1 GLN B 27 17.815 -6.406 11.852 1.00 0.00 O ATOM 1845 NE2 GLN B 27 19.914 -7.193 11.958 1.00 0.00 N ATOM 0 H GLN B 27 17.693 -5.437 7.807 1.00 0.00 H new ATOM 0 HA GLN B 27 19.069 -7.816 7.250 1.00 0.00 H new ATOM 0 HB2 GLN B 27 16.962 -7.217 9.362 1.00 0.00 H new ATOM 0 HB3 GLN B 27 18.074 -8.571 9.394 1.00 0.00 H new ATOM 0 HG2 GLN B 27 19.989 -6.995 9.495 1.00 0.00 H new ATOM 0 HG3 GLN B 27 18.878 -5.641 9.462 1.00 0.00 H new ATOM 0 HE21 GLN B 27 20.757 -7.465 11.453 1.00 0.00 H new ATOM 0 HE22 GLN B 27 19.884 -7.264 12.975 1.00 0.00 H new ATOM 1854 N ALA B 28 15.812 -7.909 6.793 1.00 0.00 N ATOM 1855 CA ALA B 28 14.728 -8.676 6.196 1.00 0.00 C ATOM 1856 C ALA B 28 15.079 -9.089 4.771 1.00 0.00 C ATOM 1857 O ALA B 28 14.897 -10.244 4.385 1.00 0.00 O ATOM 1858 CB ALA B 28 13.441 -7.869 6.210 1.00 0.00 C ATOM 0 H ALA B 28 15.543 -6.977 7.109 1.00 0.00 H new ATOM 0 HA ALA B 28 14.582 -9.580 6.788 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.639 -8.455 5.761 1.00 0.00 H new ATOM 0 HB2 ALA B 28 13.177 -7.622 7.238 1.00 0.00 H new ATOM 0 HB3 ALA B 28 13.582 -6.950 5.641 1.00 0.00 H new ATOM 1864 N LEU B 29 15.592 -8.138 3.994 1.00 0.00 N ATOM 1865 CA LEU B 29 15.977 -8.408 2.614 1.00 0.00 C ATOM 1866 C LEU B 29 17.015 -9.520 2.556 1.00 0.00 C ATOM 1867 O LEU B 29 16.945 -10.412 1.714 1.00 0.00 O ATOM 1868 CB LEU B 29 16.526 -7.144 1.957 1.00 0.00 C ATOM 1869 CG LEU B 29 15.462 -6.132 1.547 1.00 0.00 C ATOM 1870 CD1 LEU B 29 16.099 -4.796 1.197 1.00 0.00 C ATOM 1871 CD2 LEU B 29 14.659 -6.662 0.369 1.00 0.00 C ATOM 0 H LEU B 29 15.750 -7.177 4.297 1.00 0.00 H new ATOM 0 HA LEU B 29 15.090 -8.730 2.069 1.00 0.00 H new ATOM 0 HB2 LEU B 29 17.220 -6.663 2.646 1.00 0.00 H new ATOM 0 HB3 LEU B 29 17.099 -7.428 1.074 1.00 0.00 H new ATOM 0 HG LEU B 29 14.788 -5.979 2.390 1.00 0.00 H new ATOM 0 HD11 LEU B 29 15.323 -4.088 0.907 1.00 0.00 H new ATOM 0 HD12 LEU B 29 16.636 -4.411 2.064 1.00 0.00 H new ATOM 0 HD13 LEU B 29 16.795 -4.931 0.369 1.00 0.00 H new ATOM 0 HD21 LEU B 29 13.902 -5.930 0.086 1.00 0.00 H new ATOM 0 HD22 LEU B 29 15.325 -6.840 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU B 29 14.173 -7.596 0.651 1.00 0.00 H new ATOM 1883 N GLU B 30 17.978 -9.459 3.463 1.00 0.00 N ATOM 1884 CA GLU B 30 19.034 -10.461 3.527 1.00 0.00 C ATOM 1885 C GLU B 30 18.470 -11.834 3.887 1.00 0.00 C ATOM 1886 O GLU B 30 19.033 -12.863 3.515 1.00 0.00 O ATOM 1887 CB GLU B 30 20.094 -10.050 4.551 1.00 0.00 C ATOM 1888 CG GLU B 30 20.765 -8.723 4.233 1.00 0.00 C ATOM 1889 CD GLU B 30 21.812 -8.338 5.259 1.00 0.00 C ATOM 1890 OE1 GLU B 30 21.453 -8.192 6.447 1.00 0.00 O ATOM 1891 OE2 GLU B 30 22.990 -8.183 4.875 1.00 0.00 O ATOM 0 H GLU B 30 18.051 -8.725 4.167 1.00 0.00 H new ATOM 0 HA GLU B 30 19.494 -10.527 2.541 1.00 0.00 H new ATOM 0 HB2 GLU B 30 19.631 -9.987 5.536 1.00 0.00 H new ATOM 0 HB3 GLU B 30 20.855 -10.828 4.606 1.00 0.00 H new ATOM 0 HG2 GLU B 30 21.230 -8.782 3.249 1.00 0.00 H new ATOM 0 HG3 GLU B 30 20.008 -7.941 4.181 1.00 0.00 H new ATOM 1898 N LYS B 31 17.360 -11.843 4.622 1.00 0.00 N ATOM 1899 CA LYS B 31 16.729 -13.087 5.042 1.00 0.00 C ATOM 1900 C LYS B 31 15.869 -13.682 3.937 1.00 0.00 C ATOM 1901 O LYS B 31 15.949 -14.877 3.655 1.00 0.00 O ATOM 1902 CB LYS B 31 15.889 -12.854 6.299 1.00 0.00 C ATOM 1903 CG LYS B 31 16.716 -12.497 7.522 1.00 0.00 C ATOM 1904 CD LYS B 31 15.838 -12.199 8.725 1.00 0.00 C ATOM 1905 CE LYS B 31 16.668 -11.948 9.974 1.00 0.00 C ATOM 1906 NZ LYS B 31 17.601 -10.800 9.804 1.00 0.00 N ATOM 0 H LYS B 31 16.880 -11.000 4.938 1.00 0.00 H new ATOM 0 HA LYS B 31 17.521 -13.802 5.266 1.00 0.00 H new ATOM 0 HB2 LYS B 31 15.175 -12.053 6.106 1.00 0.00 H new ATOM 0 HB3 LYS B 31 15.310 -13.753 6.511 1.00 0.00 H new ATOM 0 HG2 LYS B 31 17.390 -13.320 7.758 1.00 0.00 H new ATOM 0 HG3 LYS B 31 17.337 -11.629 7.301 1.00 0.00 H new ATOM 0 HD2 LYS B 31 15.219 -11.326 8.517 1.00 0.00 H new ATOM 0 HD3 LYS B 31 15.161 -13.036 8.899 1.00 0.00 H new ATOM 0 HE2 LYS B 31 16.005 -11.754 10.817 1.00 0.00 H new ATOM 0 HE3 LYS B 31 17.238 -12.845 10.217 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 18.578 -11.152 9.744 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 17.364 -10.287 8.931 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 17.514 -10.158 10.618 1.00 0.00 H new ATOM 1920 N TYR B 32 15.047 -12.850 3.311 1.00 0.00 N ATOM 1921 CA TYR B 32 14.179 -13.320 2.237 1.00 0.00 C ATOM 1922 C TYR B 32 14.450 -12.582 0.931 1.00 0.00 C ATOM 1923 O TYR B 32 14.426 -13.180 -0.143 1.00 0.00 O ATOM 1924 CB TYR B 32 12.700 -13.170 2.602 1.00 0.00 C ATOM 1925 CG TYR B 32 12.278 -13.927 3.843 1.00 0.00 C ATOM 1926 CD1 TYR B 32 12.402 -13.358 5.103 1.00 0.00 C ATOM 1927 CD2 TYR B 32 11.754 -15.210 3.751 1.00 0.00 C ATOM 1928 CE1 TYR B 32 12.011 -14.046 6.239 1.00 0.00 C ATOM 1929 CE2 TYR B 32 11.363 -15.905 4.881 1.00 0.00 C ATOM 1930 CZ TYR B 32 11.494 -15.318 6.121 1.00 0.00 C ATOM 1931 OH TYR B 32 11.104 -16.007 7.248 1.00 0.00 O ATOM 0 H TYR B 32 14.962 -11.856 3.525 1.00 0.00 H new ATOM 0 HA TYR B 32 14.405 -14.377 2.099 1.00 0.00 H new ATOM 0 HB2 TYR B 32 12.480 -12.112 2.745 1.00 0.00 H new ATOM 0 HB3 TYR B 32 12.095 -13.510 1.761 1.00 0.00 H new ATOM 0 HD1 TYR B 32 12.810 -12.363 5.199 1.00 0.00 H new ATOM 0 HD2 TYR B 32 11.650 -15.673 2.781 1.00 0.00 H new ATOM 0 HE1 TYR B 32 12.111 -13.588 7.212 1.00 0.00 H new ATOM 0 HE2 TYR B 32 10.957 -16.902 4.792 1.00 0.00 H new ATOM 0 HH TYR B 32 10.761 -16.888 6.990 1.00 0.00 H new ATOM 1941 N ASN B 33 14.688 -11.278 1.029 1.00 0.00 N ATOM 1942 CA ASN B 33 14.942 -10.456 -0.150 1.00 0.00 C ATOM 1943 C ASN B 33 13.679 -10.354 -0.997 1.00 0.00 C ATOM 1944 O ASN B 33 13.711 -10.545 -2.212 1.00 0.00 O ATOM 1945 CB ASN B 33 16.091 -11.034 -0.984 1.00 0.00 C ATOM 1946 CG ASN B 33 16.423 -10.171 -2.186 1.00 0.00 C ATOM 1947 OD1 ASN B 33 16.782 -9.002 -2.045 1.00 0.00 O ATOM 1948 ND2 ASN B 33 16.300 -10.744 -3.378 1.00 0.00 N ATOM 0 H ASN B 33 14.710 -10.768 1.912 1.00 0.00 H new ATOM 0 HA ASN B 33 15.231 -9.459 0.183 1.00 0.00 H new ATOM 0 HB2 ASN B 33 16.977 -11.135 -0.357 1.00 0.00 H new ATOM 0 HB3 ASN B 33 15.824 -12.035 -1.322 1.00 0.00 H new ATOM 0 HD21 ASN B 33 16.506 -10.212 -4.223 1.00 0.00 H new ATOM 0 HD22 ASN B 33 15.999 -11.716 -3.448 1.00 0.00 H new ATOM 1955 N ILE B 34 12.567 -10.054 -0.336 1.00 0.00 N ATOM 1956 CA ILE B 34 11.281 -9.928 -1.010 1.00 0.00 C ATOM 1957 C ILE B 34 10.452 -8.815 -0.380 1.00 0.00 C ATOM 1958 O ILE B 34 10.344 -8.722 0.842 1.00 0.00 O ATOM 1959 CB ILE B 34 10.490 -11.250 -0.953 1.00 0.00 C ATOM 1960 CG1 ILE B 34 11.300 -12.380 -1.591 1.00 0.00 C ATOM 1961 CG2 ILE B 34 9.146 -11.099 -1.647 1.00 0.00 C ATOM 1962 CD1 ILE B 34 10.598 -13.720 -1.561 1.00 0.00 C ATOM 0 H ILE B 34 12.531 -9.893 0.671 1.00 0.00 H new ATOM 0 HA ILE B 34 11.481 -9.684 -2.053 1.00 0.00 H new ATOM 0 HB ILE B 34 10.308 -11.500 0.092 1.00 0.00 H new ATOM 0 HG12 ILE B 34 11.521 -12.118 -2.626 1.00 0.00 H new ATOM 0 HG13 ILE B 34 12.255 -12.468 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE B 34 8.602 -12.042 -1.596 1.00 0.00 H new ATOM 0 HG22 ILE B 34 8.567 -10.319 -1.152 1.00 0.00 H new ATOM 0 HG23 ILE B 34 9.304 -10.827 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE B 34 11.231 -14.473 -2.030 1.00 0.00 H new ATOM 0 HD12 ILE B 34 10.401 -14.005 -0.527 1.00 0.00 H new ATOM 0 HD13 ILE B 34 9.655 -13.649 -2.104 1.00 0.00 H new ATOM 1974 N GLU B 35 9.874 -7.967 -1.224 1.00 0.00 N ATOM 1975 CA GLU B 35 9.061 -6.844 -0.761 1.00 0.00 C ATOM 1976 C GLU B 35 8.073 -7.278 0.321 1.00 0.00 C ATOM 1977 O GLU B 35 7.986 -6.663 1.383 1.00 0.00 O ATOM 1978 CB GLU B 35 8.294 -6.233 -1.933 1.00 0.00 C ATOM 1979 CG GLU B 35 9.172 -5.867 -3.120 1.00 0.00 C ATOM 1980 CD GLU B 35 10.272 -4.892 -2.757 1.00 0.00 C ATOM 1981 OE1 GLU B 35 11.103 -5.229 -1.888 1.00 0.00 O ATOM 1982 OE2 GLU B 35 10.303 -3.791 -3.344 1.00 0.00 O ATOM 0 H GLU B 35 9.953 -8.036 -2.239 1.00 0.00 H new ATOM 0 HA GLU B 35 9.735 -6.102 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU B 35 7.531 -6.938 -2.262 1.00 0.00 H new ATOM 0 HB3 GLU B 35 7.775 -5.339 -1.588 1.00 0.00 H new ATOM 0 HG2 GLU B 35 9.617 -6.774 -3.530 1.00 0.00 H new ATOM 0 HG3 GLU B 35 8.552 -5.433 -3.905 1.00 0.00 H new ATOM 1989 N LYS B 36 7.324 -8.335 0.032 1.00 0.00 N ATOM 1990 CA LYS B 36 6.330 -8.856 0.965 1.00 0.00 C ATOM 1991 C LYS B 36 6.956 -9.220 2.311 1.00 0.00 C ATOM 1992 O LYS B 36 6.529 -8.736 3.358 1.00 0.00 O ATOM 1993 CB LYS B 36 5.661 -10.092 0.364 1.00 0.00 C ATOM 1994 CG LYS B 36 4.579 -10.694 1.244 1.00 0.00 C ATOM 1995 CD LYS B 36 4.142 -12.055 0.728 1.00 0.00 C ATOM 1996 CE LYS B 36 5.272 -13.071 0.793 1.00 0.00 C ATOM 1997 NZ LYS B 36 4.838 -14.416 0.324 1.00 0.00 N ATOM 0 H LYS B 36 7.386 -8.851 -0.846 1.00 0.00 H new ATOM 0 HA LYS B 36 5.590 -8.074 1.137 1.00 0.00 H new ATOM 0 HB2 LYS B 36 5.226 -9.826 -0.599 1.00 0.00 H new ATOM 0 HB3 LYS B 36 6.422 -10.848 0.172 1.00 0.00 H new ATOM 0 HG2 LYS B 36 4.949 -10.791 2.264 1.00 0.00 H new ATOM 0 HG3 LYS B 36 3.721 -10.023 1.279 1.00 0.00 H new ATOM 0 HD2 LYS B 36 3.297 -12.413 1.316 1.00 0.00 H new ATOM 0 HD3 LYS B 36 3.797 -11.960 -0.302 1.00 0.00 H new ATOM 0 HE2 LYS B 36 6.106 -12.726 0.182 1.00 0.00 H new ATOM 0 HE3 LYS B 36 5.636 -13.144 1.818 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 5.637 -15.079 0.384 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 4.059 -14.758 0.922 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 4.515 -14.352 -0.662 1.00 0.00 H new ATOM 2011 N ASP B 37 7.958 -10.092 2.271 1.00 0.00 N ATOM 2012 CA ASP B 37 8.640 -10.549 3.480 1.00 0.00 C ATOM 2013 C ASP B 37 9.136 -9.386 4.342 1.00 0.00 C ATOM 2014 O ASP B 37 8.996 -9.409 5.566 1.00 0.00 O ATOM 2015 CB ASP B 37 9.812 -11.459 3.108 1.00 0.00 C ATOM 2016 CG ASP B 37 9.361 -12.693 2.355 1.00 0.00 C ATOM 2017 OD1 ASP B 37 8.760 -12.541 1.269 1.00 0.00 O ATOM 2018 OD2 ASP B 37 9.605 -13.814 2.850 1.00 0.00 O ATOM 0 H ASP B 37 8.319 -10.500 1.409 1.00 0.00 H new ATOM 0 HA ASP B 37 7.913 -11.106 4.071 1.00 0.00 H new ATOM 0 HB2 ASP B 37 10.523 -10.902 2.497 1.00 0.00 H new ATOM 0 HB3 ASP B 37 10.338 -11.760 4.014 1.00 0.00 H new ATOM 2023 N ILE B 38 9.717 -8.371 3.704 1.00 0.00 N ATOM 2024 CA ILE B 38 10.231 -7.210 4.432 1.00 0.00 C ATOM 2025 C ILE B 38 9.197 -6.687 5.426 1.00 0.00 C ATOM 2026 O ILE B 38 9.524 -6.362 6.569 1.00 0.00 O ATOM 2027 CB ILE B 38 10.637 -6.071 3.469 1.00 0.00 C ATOM 2028 CG1 ILE B 38 11.783 -6.523 2.564 1.00 0.00 C ATOM 2029 CG2 ILE B 38 11.038 -4.823 4.247 1.00 0.00 C ATOM 2030 CD1 ILE B 38 12.180 -5.490 1.533 1.00 0.00 C ATOM 0 H ILE B 38 9.843 -8.328 2.693 1.00 0.00 H new ATOM 0 HA ILE B 38 11.117 -7.541 4.975 1.00 0.00 H new ATOM 0 HB ILE B 38 9.776 -5.826 2.848 1.00 0.00 H new ATOM 0 HG12 ILE B 38 12.650 -6.762 3.180 1.00 0.00 H new ATOM 0 HG13 ILE B 38 11.492 -7.441 2.054 1.00 0.00 H new ATOM 0 HG21 ILE B 38 11.320 -4.034 3.549 1.00 0.00 H new ATOM 0 HG22 ILE B 38 10.197 -4.487 4.854 1.00 0.00 H new ATOM 0 HG23 ILE B 38 11.884 -5.054 4.895 1.00 0.00 H new ATOM 0 HD11 ILE B 38 12.998 -5.878 0.926 1.00 0.00 H new ATOM 0 HD12 ILE B 38 11.326 -5.268 0.892 1.00 0.00 H new ATOM 0 HD13 ILE B 38 12.502 -4.578 2.037 1.00 0.00 H new ATOM 2042 N ALA B 39 7.950 -6.615 4.982 1.00 0.00 N ATOM 2043 CA ALA B 39 6.866 -6.139 5.827 1.00 0.00 C ATOM 2044 C ALA B 39 6.660 -7.054 7.029 1.00 0.00 C ATOM 2045 O ALA B 39 6.305 -6.596 8.113 1.00 0.00 O ATOM 2046 CB ALA B 39 5.581 -6.029 5.020 1.00 0.00 C ATOM 0 H ALA B 39 7.664 -6.881 4.040 1.00 0.00 H new ATOM 0 HA ALA B 39 7.137 -5.151 6.200 1.00 0.00 H new ATOM 0 HB1 ALA B 39 4.777 -5.672 5.663 1.00 0.00 H new ATOM 0 HB2 ALA B 39 5.727 -5.328 4.198 1.00 0.00 H new ATOM 0 HB3 ALA B 39 5.318 -7.008 4.620 1.00 0.00 H new ATOM 2052 N ALA B 40 6.883 -8.349 6.829 1.00 0.00 N ATOM 2053 CA ALA B 40 6.715 -9.324 7.900 1.00 0.00 C ATOM 2054 C ALA B 40 7.703 -9.078 9.033 1.00 0.00 C ATOM 2055 O ALA B 40 7.339 -9.116 10.209 1.00 0.00 O ATOM 2056 CB ALA B 40 6.875 -10.735 7.355 1.00 0.00 C ATOM 0 H ALA B 40 7.180 -8.746 5.938 1.00 0.00 H new ATOM 0 HA ALA B 40 5.709 -9.211 8.304 1.00 0.00 H new ATOM 0 HB1 ALA B 40 6.747 -11.454 8.164 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.123 -10.916 6.587 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.869 -10.848 6.923 1.00 0.00 H new ATOM 2062 N HIS B 41 8.957 -8.833 8.672 1.00 0.00 N ATOM 2063 CA HIS B 41 10.005 -8.587 9.659 1.00 0.00 C ATOM 2064 C HIS B 41 9.755 -7.310 10.455 1.00 0.00 C ATOM 2065 O HIS B 41 9.683 -7.332 11.683 1.00 0.00 O ATOM 2066 CB HIS B 41 11.360 -8.480 8.969 1.00 0.00 C ATOM 2067 CG HIS B 41 11.960 -9.798 8.610 1.00 0.00 C ATOM 2068 ND1 HIS B 41 12.365 -10.717 9.550 1.00 0.00 N ATOM 2069 CD2 HIS B 41 12.243 -10.340 7.405 1.00 0.00 C ATOM 2070 CE1 HIS B 41 12.879 -11.767 8.940 1.00 0.00 C ATOM 2071 NE2 HIS B 41 12.821 -11.565 7.637 1.00 0.00 N ATOM 0 H HIS B 41 9.274 -8.799 7.703 1.00 0.00 H new ATOM 0 HA HIS B 41 9.997 -9.429 10.351 1.00 0.00 H new ATOM 0 HB2 HIS B 41 11.250 -7.883 8.064 1.00 0.00 H new ATOM 0 HB3 HIS B 41 12.048 -7.944 9.622 1.00 0.00 H new ATOM 0 HD2 HIS B 41 12.051 -9.894 6.440 1.00 0.00 H new ATOM 0 HE1 HIS B 41 13.280 -12.645 9.425 1.00 0.00 H new ATOM 0 HE2 HIS B 41 13.151 -12.212 6.920 1.00 0.00 H new ATOM 2080 N ILE B 42 9.660 -6.194 9.745 1.00 0.00 N ATOM 2081 CA ILE B 42 9.459 -4.893 10.373 1.00 0.00 C ATOM 2082 C ILE B 42 8.115 -4.785 11.094 1.00 0.00 C ATOM 2083 O ILE B 42 8.040 -4.249 12.199 1.00 0.00 O ATOM 2084 CB ILE B 42 9.568 -3.762 9.329 1.00 0.00 C ATOM 2085 CG1 ILE B 42 10.926 -3.819 8.627 1.00 0.00 C ATOM 2086 CG2 ILE B 42 9.364 -2.404 9.987 1.00 0.00 C ATOM 2087 CD1 ILE B 42 11.106 -2.752 7.572 1.00 0.00 C ATOM 0 H ILE B 42 9.719 -6.163 8.727 1.00 0.00 H new ATOM 0 HA ILE B 42 10.246 -4.789 11.119 1.00 0.00 H new ATOM 0 HB ILE B 42 8.785 -3.901 8.584 1.00 0.00 H new ATOM 0 HG12 ILE B 42 11.715 -3.719 9.372 1.00 0.00 H new ATOM 0 HG13 ILE B 42 11.046 -4.799 8.165 1.00 0.00 H new ATOM 0 HG21 ILE B 42 9.445 -1.619 9.235 1.00 0.00 H new ATOM 0 HG22 ILE B 42 8.376 -2.367 10.446 1.00 0.00 H new ATOM 0 HG23 ILE B 42 10.125 -2.252 10.752 1.00 0.00 H new ATOM 0 HD11 ILE B 42 12.091 -2.853 7.116 1.00 0.00 H new ATOM 0 HD12 ILE B 42 10.339 -2.865 6.806 1.00 0.00 H new ATOM 0 HD13 ILE B 42 11.018 -1.768 8.032 1.00 0.00 H new ATOM 2099 N LYS B 43 7.053 -5.263 10.461 1.00 0.00 N ATOM 2100 CA LYS B 43 5.720 -5.180 11.051 1.00 0.00 C ATOM 2101 C LYS B 43 5.613 -5.996 12.338 1.00 0.00 C ATOM 2102 O LYS B 43 5.244 -5.468 13.385 1.00 0.00 O ATOM 2103 CB LYS B 43 4.669 -5.650 10.037 1.00 0.00 C ATOM 2104 CG LYS B 43 3.229 -5.345 10.433 1.00 0.00 C ATOM 2105 CD LYS B 43 2.747 -6.221 11.581 1.00 0.00 C ATOM 2106 CE LYS B 43 1.263 -6.026 11.839 1.00 0.00 C ATOM 2107 NZ LYS B 43 0.439 -6.379 10.649 1.00 0.00 N ATOM 0 H LYS B 43 7.085 -5.710 9.545 1.00 0.00 H new ATOM 0 HA LYS B 43 5.537 -4.137 11.310 1.00 0.00 H new ATOM 0 HB2 LYS B 43 4.875 -5.181 9.075 1.00 0.00 H new ATOM 0 HB3 LYS B 43 4.774 -6.726 9.896 1.00 0.00 H new ATOM 0 HG2 LYS B 43 3.148 -4.297 10.720 1.00 0.00 H new ATOM 0 HG3 LYS B 43 2.579 -5.490 9.570 1.00 0.00 H new ATOM 0 HD2 LYS B 43 2.944 -7.268 11.350 1.00 0.00 H new ATOM 0 HD3 LYS B 43 3.310 -5.983 12.484 1.00 0.00 H new ATOM 0 HE2 LYS B 43 0.958 -6.640 12.686 1.00 0.00 H new ATOM 0 HE3 LYS B 43 1.076 -4.988 12.115 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -0.356 -6.981 10.944 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 0.072 -5.510 10.211 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 1.025 -6.893 9.961 1.00 0.00 H new ATOM 2121 N LYS B 44 5.912 -7.286 12.257 1.00 0.00 N ATOM 2122 CA LYS B 44 5.813 -8.164 13.421 1.00 0.00 C ATOM 2123 C LYS B 44 6.740 -7.736 14.555 1.00 0.00 C ATOM 2124 O LYS B 44 6.304 -7.603 15.699 1.00 0.00 O ATOM 2125 CB LYS B 44 6.117 -9.608 13.020 1.00 0.00 C ATOM 2126 CG LYS B 44 5.172 -10.160 11.966 1.00 0.00 C ATOM 2127 CD LYS B 44 5.523 -11.592 11.599 1.00 0.00 C ATOM 2128 CE LYS B 44 4.576 -12.146 10.547 1.00 0.00 C ATOM 2129 NZ LYS B 44 3.164 -12.154 11.020 1.00 0.00 N ATOM 0 H LYS B 44 6.224 -7.748 11.403 1.00 0.00 H new ATOM 0 HA LYS B 44 4.790 -8.090 13.790 1.00 0.00 H new ATOM 0 HB2 LYS B 44 7.139 -9.664 12.645 1.00 0.00 H new ATOM 0 HB3 LYS B 44 6.068 -10.240 13.907 1.00 0.00 H new ATOM 0 HG2 LYS B 44 4.148 -10.119 12.337 1.00 0.00 H new ATOM 0 HG3 LYS B 44 5.214 -9.534 11.075 1.00 0.00 H new ATOM 0 HD2 LYS B 44 6.546 -11.633 11.226 1.00 0.00 H new ATOM 0 HD3 LYS B 44 5.484 -12.217 12.491 1.00 0.00 H new ATOM 0 HE2 LYS B 44 4.651 -11.547 9.639 1.00 0.00 H new ATOM 0 HE3 LYS B 44 4.877 -13.160 10.286 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 2.728 -13.071 10.796 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 3.142 -12.002 12.049 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 2.635 -11.394 10.547 1.00 0.00 H new ATOM 2143 N GLU B 45 8.013 -7.535 14.246 1.00 0.00 N ATOM 2144 CA GLU B 45 8.985 -7.139 15.260 1.00 0.00 C ATOM 2145 C GLU B 45 8.545 -5.877 15.997 1.00 0.00 C ATOM 2146 O GLU B 45 8.596 -5.814 17.224 1.00 0.00 O ATOM 2147 CB GLU B 45 10.359 -6.920 14.623 1.00 0.00 C ATOM 2148 CG GLU B 45 10.974 -8.184 14.043 1.00 0.00 C ATOM 2149 CD GLU B 45 11.293 -9.222 15.101 1.00 0.00 C ATOM 2150 OE1 GLU B 45 10.355 -9.692 15.777 1.00 0.00 O ATOM 2151 OE2 GLU B 45 12.485 -9.566 15.255 1.00 0.00 O ATOM 0 H GLU B 45 8.397 -7.638 13.307 1.00 0.00 H new ATOM 0 HA GLU B 45 9.050 -7.948 15.987 1.00 0.00 H new ATOM 0 HB2 GLU B 45 10.268 -6.175 13.832 1.00 0.00 H new ATOM 0 HB3 GLU B 45 11.035 -6.509 15.372 1.00 0.00 H new ATOM 0 HG2 GLU B 45 10.288 -8.615 13.314 1.00 0.00 H new ATOM 0 HG3 GLU B 45 11.887 -7.925 13.507 1.00 0.00 H new ATOM 2158 N PHE B 46 8.117 -4.871 15.244 1.00 0.00 N ATOM 2159 CA PHE B 46 7.682 -3.612 15.835 1.00 0.00 C ATOM 2160 C PHE B 46 6.324 -3.741 16.521 1.00 0.00 C ATOM 2161 O PHE B 46 6.121 -3.196 17.607 1.00 0.00 O ATOM 2162 CB PHE B 46 7.643 -2.511 14.778 1.00 0.00 C ATOM 2163 CG PHE B 46 9.009 -2.066 14.327 1.00 0.00 C ATOM 2164 CD1 PHE B 46 9.904 -2.968 13.772 1.00 0.00 C ATOM 2165 CD2 PHE B 46 9.395 -0.743 14.460 1.00 0.00 C ATOM 2166 CE1 PHE B 46 11.157 -2.556 13.358 1.00 0.00 C ATOM 2167 CE2 PHE B 46 10.646 -0.324 14.048 1.00 0.00 C ATOM 2168 CZ PHE B 46 11.528 -1.233 13.496 1.00 0.00 C ATOM 0 H PHE B 46 8.062 -4.902 14.226 1.00 0.00 H new ATOM 0 HA PHE B 46 8.410 -3.344 16.601 1.00 0.00 H new ATOM 0 HB2 PHE B 46 7.081 -2.867 13.914 1.00 0.00 H new ATOM 0 HB3 PHE B 46 7.103 -1.653 15.178 1.00 0.00 H new ATOM 0 HD1 PHE B 46 9.619 -4.004 13.662 1.00 0.00 H new ATOM 0 HD2 PHE B 46 8.709 -0.029 14.891 1.00 0.00 H new ATOM 0 HE1 PHE B 46 11.845 -3.268 12.927 1.00 0.00 H new ATOM 0 HE2 PHE B 46 10.933 0.711 14.157 1.00 0.00 H new ATOM 0 HZ PHE B 46 12.506 -0.909 13.173 1.00 0.00 H new ATOM 2178 N ASP B 47 5.399 -4.461 15.897 1.00 0.00 N ATOM 2179 CA ASP B 47 4.071 -4.645 16.476 1.00 0.00 C ATOM 2180 C ASP B 47 4.161 -5.328 17.834 1.00 0.00 C ATOM 2181 O ASP B 47 3.431 -4.987 18.762 1.00 0.00 O ATOM 2182 CB ASP B 47 3.173 -5.455 15.539 1.00 0.00 C ATOM 2183 CG ASP B 47 2.603 -4.611 14.415 1.00 0.00 C ATOM 2184 OD1 ASP B 47 3.392 -3.995 13.673 1.00 0.00 O ATOM 2185 OD2 ASP B 47 1.361 -4.567 14.279 1.00 0.00 O ATOM 0 H ASP B 47 5.540 -4.923 14.999 1.00 0.00 H new ATOM 0 HA ASP B 47 3.629 -3.658 16.612 1.00 0.00 H new ATOM 0 HB2 ASP B 47 3.745 -6.281 15.116 1.00 0.00 H new ATOM 0 HB3 ASP B 47 2.356 -5.893 16.112 1.00 0.00 H new ATOM 2190 N LYS B 48 5.058 -6.297 17.943 1.00 0.00 N ATOM 2191 CA LYS B 48 5.245 -7.028 19.183 1.00 0.00 C ATOM 2192 C LYS B 48 5.896 -6.153 20.251 1.00 0.00 C ATOM 2193 O LYS B 48 5.494 -6.174 21.415 1.00 0.00 O ATOM 2194 CB LYS B 48 6.097 -8.270 18.926 1.00 0.00 C ATOM 2195 CG LYS B 48 6.439 -9.047 20.181 1.00 0.00 C ATOM 2196 CD LYS B 48 5.188 -9.521 20.902 1.00 0.00 C ATOM 2197 CE LYS B 48 4.352 -10.439 20.023 1.00 0.00 C ATOM 2198 NZ LYS B 48 5.109 -11.652 19.607 1.00 0.00 N ATOM 0 H LYS B 48 5.669 -6.595 17.183 1.00 0.00 H new ATOM 0 HA LYS B 48 4.265 -7.330 19.553 1.00 0.00 H new ATOM 0 HB2 LYS B 48 5.567 -8.927 18.236 1.00 0.00 H new ATOM 0 HB3 LYS B 48 7.021 -7.969 18.433 1.00 0.00 H new ATOM 0 HG2 LYS B 48 7.058 -9.906 19.921 1.00 0.00 H new ATOM 0 HG3 LYS B 48 7.029 -8.420 20.849 1.00 0.00 H new ATOM 0 HD2 LYS B 48 5.470 -10.047 21.814 1.00 0.00 H new ATOM 0 HD3 LYS B 48 4.591 -8.660 21.202 1.00 0.00 H new ATOM 0 HE2 LYS B 48 3.454 -10.739 20.563 1.00 0.00 H new ATOM 0 HE3 LYS B 48 4.025 -9.894 19.138 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 4.455 -12.342 19.186 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 5.831 -11.388 18.906 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 5.571 -12.075 20.437 1.00 0.00 H new ATOM 2212 N LYS B 49 6.916 -5.404 19.854 1.00 0.00 N ATOM 2213 CA LYS B 49 7.640 -4.541 20.783 1.00 0.00 C ATOM 2214 C LYS B 49 6.936 -3.207 21.008 1.00 0.00 C ATOM 2215 O LYS B 49 6.488 -2.905 22.114 1.00 0.00 O ATOM 2216 CB LYS B 49 9.054 -4.280 20.258 1.00 0.00 C ATOM 2217 CG LYS B 49 9.843 -5.548 19.979 1.00 0.00 C ATOM 2218 CD LYS B 49 11.246 -5.233 19.483 1.00 0.00 C ATOM 2219 CE LYS B 49 12.034 -4.429 20.505 1.00 0.00 C ATOM 2220 NZ LYS B 49 12.156 -5.147 21.803 1.00 0.00 N ATOM 0 H LYS B 49 7.262 -5.375 18.895 1.00 0.00 H new ATOM 0 HA LYS B 49 7.679 -5.063 21.739 1.00 0.00 H new ATOM 0 HB2 LYS B 49 8.990 -3.693 19.342 1.00 0.00 H new ATOM 0 HB3 LYS B 49 9.597 -3.677 20.986 1.00 0.00 H new ATOM 0 HG2 LYS B 49 9.903 -6.148 20.887 1.00 0.00 H new ATOM 0 HG3 LYS B 49 9.319 -6.148 19.235 1.00 0.00 H new ATOM 0 HD2 LYS B 49 11.773 -6.162 19.266 1.00 0.00 H new ATOM 0 HD3 LYS B 49 11.185 -4.675 18.549 1.00 0.00 H new ATOM 0 HE2 LYS B 49 13.029 -4.218 20.112 1.00 0.00 H new ATOM 0 HE3 LYS B 49 11.545 -3.468 20.666 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 12.849 -4.659 22.406 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 11.232 -5.162 22.280 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 12.473 -6.123 21.632 1.00 0.00 H new ATOM 2234 N TYR B 50 6.880 -2.400 19.959 1.00 0.00 N ATOM 2235 CA TYR B 50 6.274 -1.072 20.031 1.00 0.00 C ATOM 2236 C TYR B 50 4.749 -1.122 20.107 1.00 0.00 C ATOM 2237 O TYR B 50 4.118 -0.127 20.461 1.00 0.00 O ATOM 2238 CB TYR B 50 6.733 -0.230 18.838 1.00 0.00 C ATOM 2239 CG TYR B 50 8.239 -0.032 18.774 1.00 0.00 C ATOM 2240 CD1 TYR B 50 9.080 -0.559 19.752 1.00 0.00 C ATOM 2241 CD2 TYR B 50 8.819 0.681 17.733 1.00 0.00 C ATOM 2242 CE1 TYR B 50 10.449 -0.379 19.690 1.00 0.00 C ATOM 2243 CE2 TYR B 50 10.188 0.862 17.665 1.00 0.00 C ATOM 2244 CZ TYR B 50 10.997 0.331 18.646 1.00 0.00 C ATOM 2245 OH TYR B 50 12.360 0.512 18.580 1.00 0.00 O ATOM 0 H TYR B 50 7.249 -2.641 19.039 1.00 0.00 H new ATOM 0 HA TYR B 50 6.611 -0.607 20.957 1.00 0.00 H new ATOM 0 HB2 TYR B 50 6.399 -0.708 17.917 1.00 0.00 H new ATOM 0 HB3 TYR B 50 6.249 0.745 18.885 1.00 0.00 H new ATOM 0 HD1 TYR B 50 8.655 -1.118 20.573 1.00 0.00 H new ATOM 0 HD2 TYR B 50 8.189 1.102 16.963 1.00 0.00 H new ATOM 0 HE1 TYR B 50 11.086 -0.794 20.457 1.00 0.00 H new ATOM 0 HE2 TYR B 50 10.622 1.417 16.846 1.00 0.00 H new ATOM 0 HH TYR B 50 12.582 1.034 17.781 1.00 0.00 H new ATOM 2255 N ASN B 51 4.165 -2.275 19.771 1.00 0.00 N ATOM 2256 CA ASN B 51 2.709 -2.467 19.797 1.00 0.00 C ATOM 2257 C ASN B 51 2.100 -2.156 18.435 1.00 0.00 C ATOM 2258 O ASN B 51 2.521 -1.220 17.755 1.00 0.00 O ATOM 2259 CB ASN B 51 2.035 -1.608 20.876 1.00 0.00 C ATOM 2260 CG ASN B 51 2.660 -1.800 22.244 1.00 0.00 C ATOM 2261 OD1 ASN B 51 2.674 -2.908 22.782 1.00 0.00 O ATOM 2262 ND2 ASN B 51 3.179 -0.719 22.815 1.00 0.00 N ATOM 0 H ASN B 51 4.685 -3.101 19.474 1.00 0.00 H new ATOM 0 HA ASN B 51 2.530 -3.514 20.041 1.00 0.00 H new ATOM 0 HB2 ASN B 51 2.102 -0.557 20.594 1.00 0.00 H new ATOM 0 HB3 ASN B 51 0.975 -1.858 20.926 1.00 0.00 H new ATOM 0 HD21 ASN B 51 3.612 -0.787 23.736 1.00 0.00 H new ATOM 0 HD22 ASN B 51 3.145 0.179 22.332 1.00 0.00 H new ATOM 2269 N PRO B 52 1.103 -2.951 18.010 1.00 0.00 N ATOM 2270 CA PRO B 52 0.445 -2.766 16.714 1.00 0.00 C ATOM 2271 C PRO B 52 -0.356 -1.463 16.635 1.00 0.00 C ATOM 2272 O PRO B 52 -0.531 -0.778 17.643 1.00 0.00 O ATOM 2273 CB PRO B 52 -0.490 -3.976 16.610 1.00 0.00 C ATOM 2274 CG PRO B 52 -0.728 -4.397 18.017 1.00 0.00 C ATOM 2275 CD PRO B 52 0.545 -4.097 18.754 1.00 0.00 C ATOM 0 HA PRO B 52 1.170 -2.697 15.903 1.00 0.00 H new ATOM 0 HB2 PRO B 52 -1.424 -3.712 16.113 1.00 0.00 H new ATOM 0 HB3 PRO B 52 -0.035 -4.778 16.029 1.00 0.00 H new ATOM 0 HG2 PRO B 52 -1.568 -3.855 18.451 1.00 0.00 H new ATOM 0 HG3 PRO B 52 -0.971 -5.458 18.072 1.00 0.00 H new ATOM 0 HD2 PRO B 52 0.356 -3.846 19.798 1.00 0.00 H new ATOM 0 HD3 PRO B 52 1.224 -4.950 18.749 1.00 0.00 H new ATOM 2283 N THR B 53 -0.842 -1.114 15.433 1.00 0.00 N ATOM 2284 CA THR B 53 -0.637 -1.922 14.233 1.00 0.00 C ATOM 2285 C THR B 53 0.198 -1.169 13.207 1.00 0.00 C ATOM 2286 O THR B 53 -0.152 -0.059 12.802 1.00 0.00 O ATOM 2287 CB THR B 53 -1.988 -2.302 13.630 1.00 0.00 C ATOM 2288 OG1 THR B 53 -1.821 -3.187 12.537 1.00 0.00 O ATOM 2289 CG2 THR B 53 -2.782 -1.110 13.139 1.00 0.00 C ATOM 0 H THR B 53 -1.385 -0.266 15.272 1.00 0.00 H new ATOM 0 HA THR B 53 -0.098 -2.827 14.513 1.00 0.00 H new ATOM 0 HB THR B 53 -2.540 -2.777 14.441 1.00 0.00 H new ATOM 0 HG1 THR B 53 -1.730 -2.671 11.709 1.00 0.00 H new ATOM 0 HG21 THR B 53 -3.730 -1.451 12.723 1.00 0.00 H new ATOM 0 HG22 THR B 53 -2.973 -0.433 13.971 1.00 0.00 H new ATOM 0 HG23 THR B 53 -2.215 -0.587 12.369 1.00 0.00 H new ATOM 2297 N TRP B 54 1.303 -1.776 12.793 1.00 0.00 N ATOM 2298 CA TRP B 54 2.189 -1.157 11.817 1.00 0.00 C ATOM 2299 C TRP B 54 1.832 -1.556 10.393 1.00 0.00 C ATOM 2300 O TRP B 54 1.749 -2.739 10.066 1.00 0.00 O ATOM 2301 CB TRP B 54 3.638 -1.519 12.113 1.00 0.00 C ATOM 2302 CG TRP B 54 4.081 -1.054 13.462 1.00 0.00 C ATOM 2303 CD1 TRP B 54 3.570 -1.438 14.666 1.00 0.00 C ATOM 2304 CD2 TRP B 54 5.106 -0.098 13.741 1.00 0.00 C ATOM 2305 NE1 TRP B 54 4.225 -0.789 15.683 1.00 0.00 N ATOM 2306 CE2 TRP B 54 5.171 0.041 15.140 1.00 0.00 C ATOM 2307 CE3 TRP B 54 5.978 0.650 12.946 1.00 0.00 C ATOM 2308 CZ2 TRP B 54 6.074 0.900 15.758 1.00 0.00 C ATOM 2309 CZ3 TRP B 54 6.874 1.502 13.561 1.00 0.00 C ATOM 2310 CH2 TRP B 54 6.916 1.621 14.956 1.00 0.00 C ATOM 0 H TRP B 54 1.606 -2.694 13.117 1.00 0.00 H new ATOM 0 HA TRP B 54 2.062 -0.078 11.900 1.00 0.00 H new ATOM 0 HB2 TRP B 54 3.759 -2.600 12.047 1.00 0.00 H new ATOM 0 HB3 TRP B 54 4.282 -1.079 11.351 1.00 0.00 H new ATOM 0 HD1 TRP B 54 2.768 -2.148 14.800 1.00 0.00 H new ATOM 0 HE1 TRP B 54 4.038 -0.905 16.679 1.00 0.00 H new ATOM 0 HE3 TRP B 54 5.952 0.563 11.870 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 6.109 0.994 16.833 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 7.553 2.086 12.957 1.00 0.00 H new ATOM 0 HH2 TRP B 54 7.628 2.296 15.408 1.00 0.00 H new ATOM 2321 N HIS B 55 1.644 -0.552 9.550 1.00 0.00 N ATOM 2322 CA HIS B 55 1.320 -0.775 8.152 1.00 0.00 C ATOM 2323 C HIS B 55 2.601 -0.721 7.333 1.00 0.00 C ATOM 2324 O HIS B 55 3.450 0.140 7.565 1.00 0.00 O ATOM 2325 CB HIS B 55 0.330 0.284 7.667 1.00 0.00 C ATOM 2326 CG HIS B 55 -0.789 0.532 8.631 1.00 0.00 C ATOM 2327 ND1 HIS B 55 -1.611 -0.468 9.106 1.00 0.00 N ATOM 2328 CD2 HIS B 55 -1.213 1.676 9.218 1.00 0.00 C ATOM 2329 CE1 HIS B 55 -2.493 0.051 9.942 1.00 0.00 C ATOM 2330 NE2 HIS B 55 -2.273 1.349 10.027 1.00 0.00 N ATOM 0 H HIS B 55 1.711 0.431 9.814 1.00 0.00 H new ATOM 0 HA HIS B 55 0.856 -1.754 8.033 1.00 0.00 H new ATOM 0 HB2 HIS B 55 0.864 1.218 7.492 1.00 0.00 H new ATOM 0 HB3 HIS B 55 -0.087 -0.029 6.710 1.00 0.00 H new ATOM 0 HD1 HIS B 55 -1.548 -1.454 8.852 1.00 0.00 H new ATOM 0 HD2 HIS B 55 -0.795 2.662 9.076 1.00 0.00 H new ATOM 0 HE1 HIS B 55 -3.263 -0.495 10.467 1.00 0.00 H new ATOM 2339 N CYS B 56 2.766 -1.646 6.395 1.00 0.00 N ATOM 2340 CA CYS B 56 3.981 -1.671 5.593 1.00 0.00 C ATOM 2341 C CYS B 56 3.713 -2.051 4.143 1.00 0.00 C ATOM 2342 O CYS B 56 2.876 -2.906 3.845 1.00 0.00 O ATOM 2343 CB CYS B 56 4.995 -2.640 6.202 1.00 0.00 C ATOM 2344 SG CYS B 56 6.573 -2.708 5.320 1.00 0.00 S ATOM 0 H CYS B 56 2.088 -2.375 6.174 1.00 0.00 H new ATOM 0 HA CYS B 56 4.387 -0.659 5.597 1.00 0.00 H new ATOM 0 HB2 CYS B 56 5.181 -2.351 7.236 1.00 0.00 H new ATOM 0 HB3 CYS B 56 4.559 -3.639 6.223 1.00 0.00 H new ATOM 0 HG CYS B 56 6.922 -1.508 4.962 1.00 0.00 H new ATOM 2350 N ILE B 57 4.454 -1.403 3.250 1.00 0.00 N ATOM 2351 CA ILE B 57 4.348 -1.643 1.819 1.00 0.00 C ATOM 2352 C ILE B 57 5.730 -1.523 1.185 1.00 0.00 C ATOM 2353 O ILE B 57 6.554 -0.730 1.639 1.00 0.00 O ATOM 2354 CB ILE B 57 3.393 -0.639 1.142 1.00 0.00 C ATOM 2355 CG1 ILE B 57 2.050 -0.595 1.877 1.00 0.00 C ATOM 2356 CG2 ILE B 57 3.188 -1.013 -0.317 1.00 0.00 C ATOM 2357 CD1 ILE B 57 1.299 -1.907 1.849 1.00 0.00 C ATOM 0 H ILE B 57 5.145 -0.696 3.501 1.00 0.00 H new ATOM 0 HA ILE B 57 3.945 -2.645 1.675 1.00 0.00 H new ATOM 0 HB ILE B 57 3.842 0.353 1.189 1.00 0.00 H new ATOM 0 HG12 ILE B 57 2.223 -0.307 2.914 1.00 0.00 H new ATOM 0 HG13 ILE B 57 1.427 0.180 1.431 1.00 0.00 H new ATOM 0 HG21 ILE B 57 2.512 -0.297 -0.785 1.00 0.00 H new ATOM 0 HG22 ILE B 57 4.147 -0.998 -0.835 1.00 0.00 H new ATOM 0 HG23 ILE B 57 2.758 -2.013 -0.379 1.00 0.00 H new ATOM 0 HD11 ILE B 57 0.358 -1.799 2.389 1.00 0.00 H new ATOM 0 HD12 ILE B 57 1.094 -2.187 0.816 1.00 0.00 H new ATOM 0 HD13 ILE B 57 1.902 -2.682 2.322 1.00 0.00 H new ATOM 2369 N VAL B 58 5.997 -2.317 0.154 1.00 0.00 N ATOM 2370 CA VAL B 58 7.299 -2.284 -0.497 1.00 0.00 C ATOM 2371 C VAL B 58 7.197 -2.762 -1.936 1.00 0.00 C ATOM 2372 O VAL B 58 6.503 -3.732 -2.226 1.00 0.00 O ATOM 2373 CB VAL B 58 8.321 -3.166 0.257 1.00 0.00 C ATOM 2374 CG1 VAL B 58 9.700 -3.082 -0.382 1.00 0.00 C ATOM 2375 CG2 VAL B 58 8.384 -2.771 1.725 1.00 0.00 C ATOM 0 H VAL B 58 5.336 -2.984 -0.245 1.00 0.00 H new ATOM 0 HA VAL B 58 7.641 -1.249 -0.483 1.00 0.00 H new ATOM 0 HB VAL B 58 7.986 -4.201 0.190 1.00 0.00 H new ATOM 0 HG11 VAL B 58 10.396 -3.713 0.171 1.00 0.00 H new ATOM 0 HG12 VAL B 58 9.643 -3.423 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL B 58 10.049 -2.050 -0.359 1.00 0.00 H new ATOM 0 HG21 VAL B 58 9.108 -3.402 2.241 1.00 0.00 H new ATOM 0 HG22 VAL B 58 8.687 -1.727 1.808 1.00 0.00 H new ATOM 0 HG23 VAL B 58 7.402 -2.900 2.179 1.00 0.00 H new ATOM 2385 N GLY B 59 7.890 -2.076 -2.835 1.00 0.00 N ATOM 2386 CA GLY B 59 7.856 -2.457 -4.232 1.00 0.00 C ATOM 2387 C GLY B 59 8.681 -1.539 -5.110 1.00 0.00 C ATOM 2388 O GLY B 59 9.769 -1.106 -4.719 1.00 0.00 O ATOM 0 H GLY B 59 8.473 -1.266 -2.623 1.00 0.00 H new ATOM 0 HA2 GLY B 59 8.224 -3.478 -4.335 1.00 0.00 H new ATOM 0 HA3 GLY B 59 6.823 -2.454 -4.580 1.00 0.00 H new ATOM 2392 N ARG B 60 8.170 -1.245 -6.302 1.00 0.00 N ATOM 2393 CA ARG B 60 8.877 -0.377 -7.241 1.00 0.00 C ATOM 2394 C ARG B 60 7.910 0.316 -8.200 1.00 0.00 C ATOM 2395 O ARG B 60 8.286 0.668 -9.318 1.00 0.00 O ATOM 2396 CB ARG B 60 9.892 -1.196 -8.046 1.00 0.00 C ATOM 2397 CG ARG B 60 10.887 -1.957 -7.182 1.00 0.00 C ATOM 2398 CD ARG B 60 11.784 -2.858 -8.019 1.00 0.00 C ATOM 2399 NE ARG B 60 12.611 -2.104 -8.956 1.00 0.00 N ATOM 2400 CZ ARG B 60 13.475 -2.667 -9.797 1.00 0.00 C ATOM 2401 NH1 ARG B 60 13.619 -3.987 -9.826 1.00 0.00 N ATOM 2402 NH2 ARG B 60 14.197 -1.912 -10.612 1.00 0.00 N ATOM 0 H ARG B 60 7.273 -1.593 -6.640 1.00 0.00 H new ATOM 0 HA ARG B 60 9.393 0.389 -6.662 1.00 0.00 H new ATOM 0 HB2 ARG B 60 9.355 -1.905 -8.677 1.00 0.00 H new ATOM 0 HB3 ARG B 60 10.439 -0.528 -8.711 1.00 0.00 H new ATOM 0 HG2 ARG B 60 11.500 -1.250 -6.624 1.00 0.00 H new ATOM 0 HG3 ARG B 60 10.348 -2.558 -6.450 1.00 0.00 H new ATOM 0 HD2 ARG B 60 12.427 -3.441 -7.359 1.00 0.00 H new ATOM 0 HD3 ARG B 60 11.168 -3.567 -8.572 1.00 0.00 H new ATOM 0 HE ARG B 60 12.522 -1.088 -8.967 1.00 0.00 H new ATOM 0 HH11 ARG B 60 13.066 -4.574 -9.202 1.00 0.00 H new ATOM 0 HH12 ARG B 60 14.283 -4.414 -10.473 1.00 0.00 H new ATOM 0 HH21 ARG B 60 14.091 -0.898 -10.595 1.00 0.00 H new ATOM 0 HH22 ARG B 60 14.859 -2.345 -11.256 1.00 0.00 H new ATOM 2416 N ASN B 61 6.671 0.515 -7.751 1.00 0.00 N ATOM 2417 CA ASN B 61 5.637 1.169 -8.551 1.00 0.00 C ATOM 2418 C ASN B 61 4.261 0.916 -7.939 1.00 0.00 C ATOM 2419 O ASN B 61 3.550 -0.002 -8.347 1.00 0.00 O ATOM 2420 CB ASN B 61 5.655 0.669 -10.000 1.00 0.00 C ATOM 2421 CG ASN B 61 4.552 1.283 -10.836 1.00 0.00 C ATOM 2422 OD1 ASN B 61 4.546 2.487 -11.092 1.00 0.00 O ATOM 2423 ND2 ASN B 61 3.605 0.457 -11.251 1.00 0.00 N ATOM 0 H ASN B 61 6.357 0.228 -6.824 1.00 0.00 H new ATOM 0 HA ASN B 61 5.844 2.239 -8.554 1.00 0.00 H new ATOM 0 HB2 ASN B 61 6.620 0.901 -10.450 1.00 0.00 H new ATOM 0 HB3 ASN B 61 5.552 -0.416 -10.008 1.00 0.00 H new ATOM 0 HD21 ASN B 61 2.827 0.811 -11.808 1.00 0.00 H new ATOM 0 HD22 ASN B 61 3.653 -0.534 -11.014 1.00 0.00 H new ATOM 2430 N PHE B 62 3.897 1.724 -6.951 1.00 0.00 N ATOM 2431 CA PHE B 62 2.612 1.571 -6.277 1.00 0.00 C ATOM 2432 C PHE B 62 2.156 2.874 -5.631 1.00 0.00 C ATOM 2433 O PHE B 62 2.905 3.515 -4.893 1.00 0.00 O ATOM 2434 CB PHE B 62 2.712 0.491 -5.203 1.00 0.00 C ATOM 2435 CG PHE B 62 3.688 0.830 -4.110 1.00 0.00 C ATOM 2436 CD1 PHE B 62 5.038 0.966 -4.388 1.00 0.00 C ATOM 2437 CD2 PHE B 62 3.253 1.023 -2.809 1.00 0.00 C ATOM 2438 CE1 PHE B 62 5.937 1.287 -3.389 1.00 0.00 C ATOM 2439 CE2 PHE B 62 4.148 1.342 -1.806 1.00 0.00 C ATOM 2440 CZ PHE B 62 5.492 1.476 -2.097 1.00 0.00 C ATOM 0 H PHE B 62 4.471 2.490 -6.599 1.00 0.00 H new ATOM 0 HA PHE B 62 1.879 1.285 -7.031 1.00 0.00 H new ATOM 0 HB2 PHE B 62 1.727 0.331 -4.765 1.00 0.00 H new ATOM 0 HB3 PHE B 62 3.010 -0.449 -5.668 1.00 0.00 H new ATOM 0 HD1 PHE B 62 5.392 0.819 -5.398 1.00 0.00 H new ATOM 0 HD2 PHE B 62 2.203 0.923 -2.576 1.00 0.00 H new ATOM 0 HE1 PHE B 62 6.987 1.390 -3.619 1.00 0.00 H new ATOM 0 HE2 PHE B 62 3.797 1.487 -0.795 1.00 0.00 H new ATOM 0 HZ PHE B 62 6.193 1.728 -1.315 1.00 0.00 H new ATOM 2450 N GLY B 63 0.909 3.240 -5.896 1.00 0.00 N ATOM 2451 CA GLY B 63 0.345 4.448 -5.314 1.00 0.00 C ATOM 2452 C GLY B 63 -0.727 4.113 -4.300 1.00 0.00 C ATOM 2453 O GLY B 63 -1.528 3.211 -4.534 1.00 0.00 O ATOM 0 H GLY B 63 0.275 2.723 -6.505 1.00 0.00 H new ATOM 0 HA2 GLY B 63 1.134 5.028 -4.836 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -0.077 5.072 -6.102 1.00 0.00 H new ATOM 2457 N SER B 64 -0.747 4.803 -3.159 1.00 0.00 N ATOM 2458 CA SER B 64 -1.750 4.489 -2.140 1.00 0.00 C ATOM 2459 C SER B 64 -1.928 5.579 -1.084 1.00 0.00 C ATOM 2460 O SER B 64 -1.122 6.508 -0.962 1.00 0.00 O ATOM 2461 CB SER B 64 -1.382 3.177 -1.447 1.00 0.00 C ATOM 2462 OG SER B 64 -0.104 3.262 -0.840 1.00 0.00 O ATOM 0 H SER B 64 -0.104 5.558 -2.921 1.00 0.00 H new ATOM 0 HA SER B 64 -2.701 4.407 -2.667 1.00 0.00 H new ATOM 0 HB2 SER B 64 -2.131 2.938 -0.692 1.00 0.00 H new ATOM 0 HB3 SER B 64 -1.390 2.364 -2.173 1.00 0.00 H new ATOM 0 HG SER B 64 0.107 2.411 -0.402 1.00 0.00 H new ATOM 2468 N TYR B 65 -3.009 5.416 -0.310 1.00 0.00 N ATOM 2469 CA TYR B 65 -3.370 6.322 0.778 1.00 0.00 C ATOM 2470 C TYR B 65 -3.670 5.527 2.046 1.00 0.00 C ATOM 2471 O TYR B 65 -4.192 4.415 1.979 1.00 0.00 O ATOM 2472 CB TYR B 65 -4.593 7.162 0.410 1.00 0.00 C ATOM 2473 CG TYR B 65 -4.300 8.286 -0.552 1.00 0.00 C ATOM 2474 CD1 TYR B 65 -3.828 8.029 -1.830 1.00 0.00 C ATOM 2475 CD2 TYR B 65 -4.496 9.607 -0.176 1.00 0.00 C ATOM 2476 CE1 TYR B 65 -3.560 9.057 -2.709 1.00 0.00 C ATOM 2477 CE2 TYR B 65 -4.231 10.643 -1.046 1.00 0.00 C ATOM 2478 CZ TYR B 65 -3.762 10.364 -2.313 1.00 0.00 C ATOM 2479 OH TYR B 65 -3.496 11.394 -3.187 1.00 0.00 O ATOM 0 H TYR B 65 -3.662 4.641 -0.426 1.00 0.00 H new ATOM 0 HA TYR B 65 -2.525 6.988 0.952 1.00 0.00 H new ATOM 0 HB2 TYR B 65 -5.349 6.511 -0.028 1.00 0.00 H new ATOM 0 HB3 TYR B 65 -5.021 7.580 1.321 1.00 0.00 H new ATOM 0 HD1 TYR B 65 -3.668 7.008 -2.142 1.00 0.00 H new ATOM 0 HD2 TYR B 65 -4.863 9.828 0.816 1.00 0.00 H new ATOM 0 HE1 TYR B 65 -3.194 8.841 -3.702 1.00 0.00 H new ATOM 0 HE2 TYR B 65 -4.389 11.666 -0.738 1.00 0.00 H new ATOM 0 HH TYR B 65 -3.692 12.250 -2.753 1.00 0.00 H new ATOM 2489 N VAL B 66 -3.331 6.098 3.198 1.00 0.00 N ATOM 2490 CA VAL B 66 -3.552 5.436 4.482 1.00 0.00 C ATOM 2491 C VAL B 66 -3.590 6.453 5.617 1.00 0.00 C ATOM 2492 O VAL B 66 -3.104 7.560 5.466 1.00 0.00 O ATOM 2493 CB VAL B 66 -2.428 4.432 4.786 1.00 0.00 C ATOM 2494 CG1 VAL B 66 -2.757 3.605 6.021 1.00 0.00 C ATOM 2495 CG2 VAL B 66 -2.163 3.529 3.588 1.00 0.00 C ATOM 0 H VAL B 66 -2.901 7.020 3.270 1.00 0.00 H new ATOM 0 HA VAL B 66 -4.507 4.916 4.411 1.00 0.00 H new ATOM 0 HB VAL B 66 -1.520 4.999 4.989 1.00 0.00 H new ATOM 0 HG11 VAL B 66 -1.947 2.902 6.215 1.00 0.00 H new ATOM 0 HG12 VAL B 66 -2.878 4.266 6.880 1.00 0.00 H new ATOM 0 HG13 VAL B 66 -3.683 3.054 5.854 1.00 0.00 H new ATOM 0 HG21 VAL B 66 -1.364 2.829 3.830 1.00 0.00 H new ATOM 0 HG22 VAL B 66 -3.069 2.975 3.343 1.00 0.00 H new ATOM 0 HG23 VAL B 66 -1.866 4.137 2.733 1.00 0.00 H new ATOM 2505 N THR B 67 -4.152 6.068 6.756 1.00 0.00 N ATOM 2506 CA THR B 67 -4.219 6.956 7.917 1.00 0.00 C ATOM 2507 C THR B 67 -3.332 6.418 9.031 1.00 0.00 C ATOM 2508 O THR B 67 -3.026 5.225 9.061 1.00 0.00 O ATOM 2509 CB THR B 67 -5.659 7.085 8.414 1.00 0.00 C ATOM 2510 OG1 THR B 67 -5.738 8.000 9.493 1.00 0.00 O ATOM 2511 CG2 THR B 67 -6.245 5.771 8.885 1.00 0.00 C ATOM 0 H THR B 67 -4.568 5.149 6.904 1.00 0.00 H new ATOM 0 HA THR B 67 -3.866 7.943 7.620 1.00 0.00 H new ATOM 0 HB THR B 67 -6.232 7.437 7.556 1.00 0.00 H new ATOM 0 HG1 THR B 67 -6.668 8.070 9.795 1.00 0.00 H new ATOM 0 HG21 THR B 67 -7.268 5.930 9.225 1.00 0.00 H new ATOM 0 HG22 THR B 67 -6.243 5.056 8.062 1.00 0.00 H new ATOM 0 HG23 THR B 67 -5.646 5.380 9.707 1.00 0.00 H new ATOM 2519 N HIS B 68 -2.894 7.292 9.931 1.00 0.00 N ATOM 2520 CA HIS B 68 -2.018 6.862 11.013 1.00 0.00 C ATOM 2521 C HIS B 68 -1.863 7.920 12.099 1.00 0.00 C ATOM 2522 O HIS B 68 -1.873 9.120 11.828 1.00 0.00 O ATOM 2523 CB HIS B 68 -0.658 6.515 10.431 1.00 0.00 C ATOM 2524 CG HIS B 68 -0.090 7.624 9.604 1.00 0.00 C ATOM 2525 ND1 HIS B 68 0.465 8.762 10.147 1.00 0.00 N ATOM 2526 CD2 HIS B 68 -0.035 7.785 8.260 1.00 0.00 C ATOM 2527 CE1 HIS B 68 0.838 9.573 9.175 1.00 0.00 C ATOM 2528 NE2 HIS B 68 0.547 9.004 8.020 1.00 0.00 N ATOM 0 H HIS B 68 -3.126 8.285 9.934 1.00 0.00 H new ATOM 0 HA HIS B 68 -2.471 5.991 11.486 1.00 0.00 H new ATOM 0 HB2 HIS B 68 0.032 6.281 11.242 1.00 0.00 H new ATOM 0 HB3 HIS B 68 -0.747 5.618 9.818 1.00 0.00 H new ATOM 0 HD1 HIS B 68 0.571 8.949 11.144 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -0.384 7.084 7.516 1.00 0.00 H new ATOM 0 HE1 HIS B 68 1.303 10.539 9.303 1.00 0.00 H new ATOM 2537 N GLU B 69 -1.713 7.448 13.331 1.00 0.00 N ATOM 2538 CA GLU B 69 -1.542 8.316 14.488 1.00 0.00 C ATOM 2539 C GLU B 69 -0.268 9.151 14.363 1.00 0.00 C ATOM 2540 O GLU B 69 0.719 8.713 13.774 1.00 0.00 O ATOM 2541 CB GLU B 69 -1.494 7.467 15.759 1.00 0.00 C ATOM 2542 CG GLU B 69 -1.257 8.267 17.028 1.00 0.00 C ATOM 2543 CD GLU B 69 -2.356 9.277 17.303 1.00 0.00 C ATOM 2544 OE1 GLU B 69 -3.321 9.337 16.513 1.00 0.00 O ATOM 2545 OE2 GLU B 69 -2.251 10.007 18.311 1.00 0.00 O ATOM 0 H GLU B 69 -1.707 6.453 13.555 1.00 0.00 H new ATOM 0 HA GLU B 69 -2.388 9.001 14.539 1.00 0.00 H new ATOM 0 HB2 GLU B 69 -2.433 6.922 15.855 1.00 0.00 H new ATOM 0 HB3 GLU B 69 -0.703 6.724 15.657 1.00 0.00 H new ATOM 0 HG2 GLU B 69 -1.179 7.583 17.873 1.00 0.00 H new ATOM 0 HG3 GLU B 69 -0.303 8.788 16.950 1.00 0.00 H new ATOM 2552 N THR B 70 -0.300 10.361 14.919 1.00 0.00 N ATOM 2553 CA THR B 70 0.850 11.264 14.868 1.00 0.00 C ATOM 2554 C THR B 70 2.107 10.599 15.423 1.00 0.00 C ATOM 2555 O THR B 70 2.031 9.713 16.274 1.00 0.00 O ATOM 2556 CB THR B 70 0.560 12.542 15.652 1.00 0.00 C ATOM 2557 OG1 THR B 70 0.255 12.247 17.003 1.00 0.00 O ATOM 2558 CG2 THR B 70 -0.589 13.347 15.084 1.00 0.00 C ATOM 0 H THR B 70 -1.110 10.739 15.410 1.00 0.00 H new ATOM 0 HA THR B 70 1.025 11.512 13.821 1.00 0.00 H new ATOM 0 HB THR B 70 1.470 13.137 15.576 1.00 0.00 H new ATOM 0 HG1 THR B 70 0.074 13.080 17.487 1.00 0.00 H new ATOM 0 HG21 THR B 70 -0.741 14.241 15.689 1.00 0.00 H new ATOM 0 HG22 THR B 70 -0.358 13.637 14.059 1.00 0.00 H new ATOM 0 HG23 THR B 70 -1.497 12.743 15.095 1.00 0.00 H new ATOM 2566 N LYS B 71 3.261 11.033 14.926 1.00 0.00 N ATOM 2567 CA LYS B 71 4.540 10.482 15.361 1.00 0.00 C ATOM 2568 C LYS B 71 4.608 8.995 15.049 1.00 0.00 C ATOM 2569 O LYS B 71 5.124 8.204 15.839 1.00 0.00 O ATOM 2570 CB LYS B 71 4.743 10.711 16.863 1.00 0.00 C ATOM 2571 CG LYS B 71 4.722 12.176 17.281 1.00 0.00 C ATOM 2572 CD LYS B 71 6.080 12.848 17.113 1.00 0.00 C ATOM 2573 CE LYS B 71 6.546 12.853 15.668 1.00 0.00 C ATOM 2574 NZ LYS B 71 7.780 13.667 15.486 1.00 0.00 N ATOM 0 H LYS B 71 3.337 11.766 14.221 1.00 0.00 H new ATOM 0 HA LYS B 71 5.335 10.994 14.819 1.00 0.00 H new ATOM 0 HB2 LYS B 71 3.964 10.178 17.409 1.00 0.00 H new ATOM 0 HB3 LYS B 71 5.696 10.274 17.160 1.00 0.00 H new ATOM 0 HG2 LYS B 71 3.980 12.710 16.687 1.00 0.00 H new ATOM 0 HG3 LYS B 71 4.410 12.249 18.323 1.00 0.00 H new ATOM 0 HD2 LYS B 71 6.023 13.874 17.477 1.00 0.00 H new ATOM 0 HD3 LYS B 71 6.817 12.332 17.728 1.00 0.00 H new ATOM 0 HE2 LYS B 71 6.735 11.830 15.344 1.00 0.00 H new ATOM 0 HE3 LYS B 71 5.753 13.248 15.032 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 8.066 13.645 14.486 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 7.593 14.649 15.771 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 8.544 13.275 16.073 1.00 0.00 H new ATOM 2588 N HIS B 72 4.084 8.626 13.888 1.00 0.00 N ATOM 2589 CA HIS B 72 4.078 7.236 13.456 1.00 0.00 C ATOM 2590 C HIS B 72 3.951 7.147 11.940 1.00 0.00 C ATOM 2591 O HIS B 72 2.921 6.726 11.414 1.00 0.00 O ATOM 2592 CB HIS B 72 2.930 6.473 14.124 1.00 0.00 C ATOM 2593 CG HIS B 72 2.989 6.489 15.620 1.00 0.00 C ATOM 2594 ND1 HIS B 72 4.037 5.952 16.339 1.00 0.00 N ATOM 2595 CD2 HIS B 72 2.122 6.985 16.535 1.00 0.00 C ATOM 2596 CE1 HIS B 72 3.811 6.116 17.631 1.00 0.00 C ATOM 2597 NE2 HIS B 72 2.658 6.740 17.776 1.00 0.00 N ATOM 0 H HIS B 72 3.656 9.274 13.226 1.00 0.00 H new ATOM 0 HA HIS B 72 5.023 6.782 13.755 1.00 0.00 H new ATOM 0 HB2 HIS B 72 1.982 6.904 13.802 1.00 0.00 H new ATOM 0 HB3 HIS B 72 2.943 5.439 13.779 1.00 0.00 H new ATOM 0 HD2 HIS B 72 1.185 7.480 16.328 1.00 0.00 H new ATOM 0 HE1 HIS B 72 4.460 5.794 18.432 1.00 0.00 H new ATOM 0 HE2 HIS B 72 2.233 6.999 18.666 1.00 0.00 H new ATOM 2606 N PHE B 73 5.008 7.554 11.243 1.00 0.00 N ATOM 2607 CA PHE B 73 5.021 7.527 9.786 1.00 0.00 C ATOM 2608 C PHE B 73 6.444 7.655 9.253 1.00 0.00 C ATOM 2609 O PHE B 73 7.239 8.445 9.763 1.00 0.00 O ATOM 2610 CB PHE B 73 4.150 8.654 9.224 1.00 0.00 C ATOM 2611 CG PHE B 73 4.202 8.760 7.726 1.00 0.00 C ATOM 2612 CD1 PHE B 73 3.823 7.692 6.929 1.00 0.00 C ATOM 2613 CD2 PHE B 73 4.637 9.925 7.114 1.00 0.00 C ATOM 2614 CE1 PHE B 73 3.876 7.784 5.551 1.00 0.00 C ATOM 2615 CE2 PHE B 73 4.691 10.025 5.737 1.00 0.00 C ATOM 2616 CZ PHE B 73 4.310 8.952 4.954 1.00 0.00 C ATOM 0 H PHE B 73 5.867 7.907 11.665 1.00 0.00 H new ATOM 0 HA PHE B 73 4.615 6.569 9.462 1.00 0.00 H new ATOM 0 HB2 PHE B 73 3.117 8.493 9.534 1.00 0.00 H new ATOM 0 HB3 PHE B 73 4.470 9.601 9.659 1.00 0.00 H new ATOM 0 HD1 PHE B 73 3.482 6.777 7.390 1.00 0.00 H new ATOM 0 HD2 PHE B 73 4.938 10.766 7.722 1.00 0.00 H new ATOM 0 HE1 PHE B 73 3.578 6.944 4.941 1.00 0.00 H new ATOM 0 HE2 PHE B 73 5.030 10.940 5.274 1.00 0.00 H new ATOM 0 HZ PHE B 73 4.351 9.026 3.877 1.00 0.00 H new ATOM 2626 N ILE B 74 6.764 6.869 8.227 1.00 0.00 N ATOM 2627 CA ILE B 74 8.096 6.904 7.639 1.00 0.00 C ATOM 2628 C ILE B 74 8.110 6.297 6.239 1.00 0.00 C ATOM 2629 O ILE B 74 7.495 5.261 5.987 1.00 0.00 O ATOM 2630 CB ILE B 74 9.115 6.160 8.526 1.00 0.00 C ATOM 2631 CG1 ILE B 74 10.518 6.245 7.924 1.00 0.00 C ATOM 2632 CG2 ILE B 74 8.699 4.707 8.709 1.00 0.00 C ATOM 2633 CD1 ILE B 74 11.574 5.547 8.752 1.00 0.00 C ATOM 0 H ILE B 74 6.123 6.206 7.790 1.00 0.00 H new ATOM 0 HA ILE B 74 8.380 7.954 7.568 1.00 0.00 H new ATOM 0 HB ILE B 74 9.134 6.640 9.504 1.00 0.00 H new ATOM 0 HG12 ILE B 74 10.503 5.808 6.926 1.00 0.00 H new ATOM 0 HG13 ILE B 74 10.792 7.294 7.809 1.00 0.00 H new ATOM 0 HG21 ILE B 74 9.429 4.196 9.337 1.00 0.00 H new ATOM 0 HG22 ILE B 74 7.719 4.666 9.184 1.00 0.00 H new ATOM 0 HG23 ILE B 74 8.651 4.217 7.737 1.00 0.00 H new ATOM 0 HD11 ILE B 74 12.544 5.648 8.265 1.00 0.00 H new ATOM 0 HD12 ILE B 74 11.617 5.999 9.743 1.00 0.00 H new ATOM 0 HD13 ILE B 74 11.323 4.490 8.846 1.00 0.00 H new ATOM 2645 N TYR B 75 8.834 6.952 5.340 1.00 0.00 N ATOM 2646 CA TYR B 75 8.965 6.498 3.960 1.00 0.00 C ATOM 2647 C TYR B 75 10.391 6.737 3.481 1.00 0.00 C ATOM 2648 O TYR B 75 10.980 7.778 3.768 1.00 0.00 O ATOM 2649 CB TYR B 75 7.976 7.233 3.051 1.00 0.00 C ATOM 2650 CG TYR B 75 8.003 6.753 1.615 1.00 0.00 C ATOM 2651 CD1 TYR B 75 9.132 6.924 0.823 1.00 0.00 C ATOM 2652 CD2 TYR B 75 6.901 6.117 1.055 1.00 0.00 C ATOM 2653 CE1 TYR B 75 9.163 6.477 -0.481 1.00 0.00 C ATOM 2654 CE2 TYR B 75 6.926 5.668 -0.251 1.00 0.00 C ATOM 2655 CZ TYR B 75 8.059 5.851 -1.014 1.00 0.00 C ATOM 2656 OH TYR B 75 8.092 5.404 -2.313 1.00 0.00 O ATOM 0 H TYR B 75 9.346 7.810 5.545 1.00 0.00 H new ATOM 0 HA TYR B 75 8.740 5.432 3.917 1.00 0.00 H new ATOM 0 HB2 TYR B 75 6.969 7.109 3.448 1.00 0.00 H new ATOM 0 HB3 TYR B 75 8.198 8.300 3.073 1.00 0.00 H new ATOM 0 HD1 TYR B 75 10.000 7.416 1.236 1.00 0.00 H new ATOM 0 HD2 TYR B 75 6.012 5.972 1.650 1.00 0.00 H new ATOM 0 HE1 TYR B 75 10.050 6.617 -1.082 1.00 0.00 H new ATOM 0 HE2 TYR B 75 6.062 5.176 -0.672 1.00 0.00 H new ATOM 0 HH TYR B 75 8.868 5.789 -2.772 1.00 0.00 H new ATOM 2666 N PHE B 76 10.953 5.769 2.767 1.00 0.00 N ATOM 2667 CA PHE B 76 12.319 5.897 2.280 1.00 0.00 C ATOM 2668 C PHE B 76 12.681 4.790 1.293 1.00 0.00 C ATOM 2669 O PHE B 76 12.280 3.635 1.460 1.00 0.00 O ATOM 2670 CB PHE B 76 13.281 5.886 3.471 1.00 0.00 C ATOM 2671 CG PHE B 76 13.208 4.637 4.304 1.00 0.00 C ATOM 2672 CD1 PHE B 76 13.643 3.422 3.801 1.00 0.00 C ATOM 2673 CD2 PHE B 76 12.702 4.680 5.594 1.00 0.00 C ATOM 2674 CE1 PHE B 76 13.575 2.273 4.566 1.00 0.00 C ATOM 2675 CE2 PHE B 76 12.630 3.535 6.364 1.00 0.00 C ATOM 2676 CZ PHE B 76 13.068 2.331 5.850 1.00 0.00 C ATOM 0 H PHE B 76 10.489 4.896 2.515 1.00 0.00 H new ATOM 0 HA PHE B 76 12.403 6.842 1.743 1.00 0.00 H new ATOM 0 HB2 PHE B 76 14.300 6.006 3.103 1.00 0.00 H new ATOM 0 HB3 PHE B 76 13.068 6.746 4.105 1.00 0.00 H new ATOM 0 HD1 PHE B 76 14.040 3.372 2.798 1.00 0.00 H new ATOM 0 HD2 PHE B 76 12.360 5.620 6.002 1.00 0.00 H new ATOM 0 HE1 PHE B 76 13.917 1.332 4.161 1.00 0.00 H new ATOM 0 HE2 PHE B 76 12.232 3.582 7.367 1.00 0.00 H new ATOM 0 HZ PHE B 76 13.014 1.435 6.451 1.00 0.00 H new ATOM 2686 N TYR B 77 13.453 5.148 0.268 1.00 0.00 N ATOM 2687 CA TYR B 77 13.886 4.187 -0.739 1.00 0.00 C ATOM 2688 C TYR B 77 15.063 3.366 -0.220 1.00 0.00 C ATOM 2689 O TYR B 77 15.864 3.852 0.579 1.00 0.00 O ATOM 2690 CB TYR B 77 14.274 4.886 -2.044 1.00 0.00 C ATOM 2691 CG TYR B 77 13.112 5.539 -2.762 1.00 0.00 C ATOM 2692 CD1 TYR B 77 12.548 6.718 -2.293 1.00 0.00 C ATOM 2693 CD2 TYR B 77 12.578 4.968 -3.911 1.00 0.00 C ATOM 2694 CE1 TYR B 77 11.486 7.310 -2.951 1.00 0.00 C ATOM 2695 CE2 TYR B 77 11.516 5.555 -4.572 1.00 0.00 C ATOM 2696 CZ TYR B 77 10.974 6.726 -4.088 1.00 0.00 C ATOM 2697 OH TYR B 77 9.918 7.314 -4.744 1.00 0.00 O ATOM 0 H TYR B 77 13.791 6.098 0.115 1.00 0.00 H new ATOM 0 HA TYR B 77 13.048 3.521 -0.944 1.00 0.00 H new ATOM 0 HB2 TYR B 77 15.027 5.644 -1.828 1.00 0.00 H new ATOM 0 HB3 TYR B 77 14.737 4.158 -2.710 1.00 0.00 H new ATOM 0 HD1 TYR B 77 12.945 7.179 -1.401 1.00 0.00 H new ATOM 0 HD2 TYR B 77 13.000 4.050 -4.294 1.00 0.00 H new ATOM 0 HE1 TYR B 77 11.059 8.228 -2.574 1.00 0.00 H new ATOM 0 HE2 TYR B 77 11.113 5.098 -5.464 1.00 0.00 H new ATOM 0 HH TYR B 77 9.679 6.776 -5.527 1.00 0.00 H new ATOM 2707 N LEU B 78 15.154 2.120 -0.671 1.00 0.00 N ATOM 2708 CA LEU B 78 16.228 1.227 -0.244 1.00 0.00 C ATOM 2709 C LEU B 78 16.317 -0.002 -1.144 1.00 0.00 C ATOM 2710 O LEU B 78 15.301 -0.573 -1.532 1.00 0.00 O ATOM 2711 CB LEU B 78 15.996 0.784 1.201 1.00 0.00 C ATOM 2712 CG LEU B 78 17.019 -0.212 1.749 1.00 0.00 C ATOM 2713 CD1 LEU B 78 18.431 0.332 1.594 1.00 0.00 C ATOM 2714 CD2 LEU B 78 16.725 -0.528 3.208 1.00 0.00 C ATOM 0 H LEU B 78 14.498 1.704 -1.332 1.00 0.00 H new ATOM 0 HA LEU B 78 17.167 1.775 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU B 78 15.995 1.668 1.839 1.00 0.00 H new ATOM 0 HB3 LEU B 78 15.004 0.338 1.273 1.00 0.00 H new ATOM 0 HG LEU B 78 16.943 -1.135 1.174 1.00 0.00 H new ATOM 0 HD11 LEU B 78 19.145 -0.391 1.990 1.00 0.00 H new ATOM 0 HD12 LEU B 78 18.639 0.508 0.539 1.00 0.00 H new ATOM 0 HD13 LEU B 78 18.522 1.269 2.143 1.00 0.00 H new ATOM 0 HD21 LEU B 78 17.462 -1.238 3.582 1.00 0.00 H new ATOM 0 HD22 LEU B 78 16.773 0.389 3.796 1.00 0.00 H new ATOM 0 HD23 LEU B 78 15.728 -0.961 3.293 1.00 0.00 H new ATOM 2726 N GLY B 79 17.542 -0.402 -1.470 1.00 0.00 N ATOM 2727 CA GLY B 79 17.749 -1.564 -2.316 1.00 0.00 C ATOM 2728 C GLY B 79 16.998 -1.463 -3.627 1.00 0.00 C ATOM 2729 O GLY B 79 16.425 -2.443 -4.102 1.00 0.00 O ATOM 0 H GLY B 79 18.398 0.059 -1.162 1.00 0.00 H new ATOM 0 HA2 GLY B 79 18.814 -1.678 -2.518 1.00 0.00 H new ATOM 0 HA3 GLY B 79 17.428 -2.460 -1.784 1.00 0.00 H new ATOM 2733 N GLN B 80 16.998 -0.270 -4.206 1.00 0.00 N ATOM 2734 CA GLN B 80 16.310 -0.032 -5.466 1.00 0.00 C ATOM 2735 C GLN B 80 14.831 -0.392 -5.356 1.00 0.00 C ATOM 2736 O GLN B 80 14.239 -0.917 -6.298 1.00 0.00 O ATOM 2737 CB GLN B 80 16.962 -0.838 -6.590 1.00 0.00 C ATOM 2738 CG GLN B 80 18.425 -0.490 -6.821 1.00 0.00 C ATOM 2739 CD GLN B 80 19.046 -1.297 -7.943 1.00 0.00 C ATOM 2740 OE1 GLN B 80 19.096 -2.525 -7.888 1.00 0.00 O ATOM 2741 NE2 GLN B 80 19.523 -0.606 -8.973 1.00 0.00 N ATOM 0 H GLN B 80 17.468 0.549 -3.821 1.00 0.00 H new ATOM 0 HA GLN B 80 16.390 1.030 -5.698 1.00 0.00 H new ATOM 0 HB2 GLN B 80 16.882 -1.900 -6.357 1.00 0.00 H new ATOM 0 HB3 GLN B 80 16.408 -0.672 -7.514 1.00 0.00 H new ATOM 0 HG2 GLN B 80 18.510 0.572 -7.052 1.00 0.00 H new ATOM 0 HG3 GLN B 80 18.985 -0.662 -5.902 1.00 0.00 H new ATOM 0 HE21 GLN B 80 19.460 0.412 -8.977 1.00 0.00 H new ATOM 0 HE22 GLN B 80 19.952 -1.094 -9.760 1.00 0.00 H new ATOM 2750 N VAL B 81 14.241 -0.097 -4.202 1.00 0.00 N ATOM 2751 CA VAL B 81 12.829 -0.383 -3.968 1.00 0.00 C ATOM 2752 C VAL B 81 12.265 0.525 -2.880 1.00 0.00 C ATOM 2753 O VAL B 81 12.909 0.763 -1.859 1.00 0.00 O ATOM 2754 CB VAL B 81 12.597 -1.858 -3.577 1.00 0.00 C ATOM 2755 CG1 VAL B 81 13.070 -2.788 -4.683 1.00 0.00 C ATOM 2756 CG2 VAL B 81 13.292 -2.195 -2.266 1.00 0.00 C ATOM 0 H VAL B 81 14.719 0.340 -3.414 1.00 0.00 H new ATOM 0 HA VAL B 81 12.308 -0.192 -4.906 1.00 0.00 H new ATOM 0 HB VAL B 81 11.525 -2.001 -3.438 1.00 0.00 H new ATOM 0 HG11 VAL B 81 12.897 -3.823 -4.387 1.00 0.00 H new ATOM 0 HG12 VAL B 81 12.518 -2.575 -5.598 1.00 0.00 H new ATOM 0 HG13 VAL B 81 14.135 -2.634 -4.858 1.00 0.00 H new ATOM 0 HG21 VAL B 81 13.111 -3.240 -2.016 1.00 0.00 H new ATOM 0 HG22 VAL B 81 14.364 -2.027 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL B 81 12.900 -1.559 -1.472 1.00 0.00 H new ATOM 2766 N ALA B 82 11.061 1.037 -3.110 1.00 0.00 N ATOM 2767 CA ALA B 82 10.413 1.929 -2.154 1.00 0.00 C ATOM 2768 C ALA B 82 9.911 1.166 -0.933 1.00 0.00 C ATOM 2769 O ALA B 82 9.261 0.128 -1.061 1.00 0.00 O ATOM 2770 CB ALA B 82 9.265 2.670 -2.823 1.00 0.00 C ATOM 0 H ALA B 82 10.513 0.850 -3.950 1.00 0.00 H new ATOM 0 HA ALA B 82 11.154 2.652 -1.813 1.00 0.00 H new ATOM 0 HB1 ALA B 82 8.789 3.332 -2.100 1.00 0.00 H new ATOM 0 HB2 ALA B 82 9.648 3.258 -3.657 1.00 0.00 H new ATOM 0 HB3 ALA B 82 8.534 1.951 -3.192 1.00 0.00 H new ATOM 2776 N ILE B 83 10.208 1.698 0.251 1.00 0.00 N ATOM 2777 CA ILE B 83 9.782 1.080 1.499 1.00 0.00 C ATOM 2778 C ILE B 83 8.878 2.026 2.284 1.00 0.00 C ATOM 2779 O ILE B 83 9.094 3.238 2.296 1.00 0.00 O ATOM 2780 CB ILE B 83 10.987 0.675 2.374 1.00 0.00 C ATOM 2781 CG1 ILE B 83 11.888 -0.299 1.610 1.00 0.00 C ATOM 2782 CG2 ILE B 83 10.514 0.054 3.683 1.00 0.00 C ATOM 2783 CD1 ILE B 83 13.089 -0.763 2.404 1.00 0.00 C ATOM 0 H ILE B 83 10.744 2.558 0.369 1.00 0.00 H new ATOM 0 HA ILE B 83 9.227 0.178 1.240 1.00 0.00 H new ATOM 0 HB ILE B 83 11.563 1.570 2.611 1.00 0.00 H new ATOM 0 HG12 ILE B 83 11.301 -1.168 1.314 1.00 0.00 H new ATOM 0 HG13 ILE B 83 12.232 0.180 0.693 1.00 0.00 H new ATOM 0 HG21 ILE B 83 11.378 -0.225 4.286 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.907 0.776 4.230 1.00 0.00 H new ATOM 0 HG23 ILE B 83 9.918 -0.834 3.470 1.00 0.00 H new ATOM 0 HD11 ILE B 83 13.681 -1.450 1.800 1.00 0.00 H new ATOM 0 HD12 ILE B 83 13.699 0.098 2.677 1.00 0.00 H new ATOM 0 HD13 ILE B 83 12.753 -1.272 3.308 1.00 0.00 H new ATOM 2795 N LEU B 84 7.859 1.469 2.930 1.00 0.00 N ATOM 2796 CA LEU B 84 6.920 2.269 3.707 1.00 0.00 C ATOM 2797 C LEU B 84 6.563 1.578 5.020 1.00 0.00 C ATOM 2798 O LEU B 84 6.330 0.369 5.053 1.00 0.00 O ATOM 2799 CB LEU B 84 5.651 2.527 2.891 1.00 0.00 C ATOM 2800 CG LEU B 84 4.575 3.351 3.602 1.00 0.00 C ATOM 2801 CD1 LEU B 84 5.121 4.718 3.991 1.00 0.00 C ATOM 2802 CD2 LEU B 84 3.347 3.496 2.717 1.00 0.00 C ATOM 0 H LEU B 84 7.663 0.468 2.931 1.00 0.00 H new ATOM 0 HA LEU B 84 7.398 3.220 3.942 1.00 0.00 H new ATOM 0 HB2 LEU B 84 5.929 3.039 1.970 1.00 0.00 H new ATOM 0 HB3 LEU B 84 5.221 1.567 2.605 1.00 0.00 H new ATOM 0 HG LEU B 84 4.283 2.828 4.512 1.00 0.00 H new ATOM 0 HD11 LEU B 84 4.343 5.291 4.495 1.00 0.00 H new ATOM 0 HD12 LEU B 84 5.971 4.593 4.661 1.00 0.00 H new ATOM 0 HD13 LEU B 84 5.440 5.251 3.095 1.00 0.00 H new ATOM 0 HD21 LEU B 84 2.591 4.084 3.237 1.00 0.00 H new ATOM 0 HD22 LEU B 84 3.624 3.998 1.790 1.00 0.00 H new ATOM 0 HD23 LEU B 84 2.945 2.509 2.488 1.00 0.00 H new ATOM 2814 N LEU B 85 6.519 2.359 6.097 1.00 0.00 N ATOM 2815 CA LEU B 85 6.191 1.833 7.416 1.00 0.00 C ATOM 2816 C LEU B 85 5.554 2.915 8.279 1.00 0.00 C ATOM 2817 O LEU B 85 5.988 4.070 8.264 1.00 0.00 O ATOM 2818 CB LEU B 85 7.441 1.294 8.110 1.00 0.00 C ATOM 2819 CG LEU B 85 7.200 0.703 9.499 1.00 0.00 C ATOM 2820 CD1 LEU B 85 6.372 -0.570 9.400 1.00 0.00 C ATOM 2821 CD2 LEU B 85 8.520 0.434 10.202 1.00 0.00 C ATOM 0 H LEU B 85 6.707 3.361 6.080 1.00 0.00 H new ATOM 0 HA LEU B 85 5.481 1.017 7.285 1.00 0.00 H new ATOM 0 HB2 LEU B 85 7.888 0.527 7.477 1.00 0.00 H new ATOM 0 HB3 LEU B 85 8.168 2.101 8.195 1.00 0.00 H new ATOM 0 HG LEU B 85 6.642 1.429 10.091 1.00 0.00 H new ATOM 0 HD11 LEU B 85 6.210 -0.977 10.398 1.00 0.00 H new ATOM 0 HD12 LEU B 85 5.410 -0.344 8.940 1.00 0.00 H new ATOM 0 HD13 LEU B 85 6.902 -1.302 8.791 1.00 0.00 H new ATOM 0 HD21 LEU B 85 8.327 0.014 11.189 1.00 0.00 H new ATOM 0 HD22 LEU B 85 9.107 -0.272 9.615 1.00 0.00 H new ATOM 0 HD23 LEU B 85 9.073 1.367 10.307 1.00 0.00 H new ATOM 2833 N PHE B 86 4.519 2.540 9.024 1.00 0.00 N ATOM 2834 CA PHE B 86 3.820 3.486 9.884 1.00 0.00 C ATOM 2835 C PHE B 86 2.706 2.798 10.671 1.00 0.00 C ATOM 2836 O PHE B 86 1.837 2.144 10.094 1.00 0.00 O ATOM 2837 CB PHE B 86 3.259 4.638 9.045 1.00 0.00 C ATOM 2838 CG PHE B 86 2.273 4.222 7.987 1.00 0.00 C ATOM 2839 CD1 PHE B 86 2.617 3.315 6.995 1.00 0.00 C ATOM 2840 CD2 PHE B 86 1.001 4.758 7.981 1.00 0.00 C ATOM 2841 CE1 PHE B 86 1.706 2.953 6.023 1.00 0.00 C ATOM 2842 CE2 PHE B 86 0.085 4.402 7.013 1.00 0.00 C ATOM 2843 CZ PHE B 86 0.437 3.497 6.032 1.00 0.00 C ATOM 0 H PHE B 86 4.147 1.590 9.049 1.00 0.00 H new ATOM 0 HA PHE B 86 4.532 3.888 10.605 1.00 0.00 H new ATOM 0 HB2 PHE B 86 2.777 5.353 9.711 1.00 0.00 H new ATOM 0 HB3 PHE B 86 4.088 5.158 8.565 1.00 0.00 H new ATOM 0 HD1 PHE B 86 3.609 2.887 6.983 1.00 0.00 H new ATOM 0 HD2 PHE B 86 0.719 5.467 8.746 1.00 0.00 H new ATOM 0 HE1 PHE B 86 1.986 2.245 5.257 1.00 0.00 H new ATOM 0 HE2 PHE B 86 -0.906 4.831 7.023 1.00 0.00 H new ATOM 0 HZ PHE B 86 -0.278 3.215 5.273 1.00 0.00 H new ATOM 2853 N LYS B 87 2.753 2.939 11.995 1.00 0.00 N ATOM 2854 CA LYS B 87 1.761 2.319 12.872 1.00 0.00 C ATOM 2855 C LYS B 87 0.533 3.196 13.067 1.00 0.00 C ATOM 2856 O LYS B 87 0.511 4.362 12.673 1.00 0.00 O ATOM 2857 CB LYS B 87 2.370 1.995 14.236 1.00 0.00 C ATOM 2858 CG LYS B 87 2.812 3.221 15.016 1.00 0.00 C ATOM 2859 CD LYS B 87 3.253 2.854 16.425 1.00 0.00 C ATOM 2860 CE LYS B 87 2.105 2.278 17.237 1.00 0.00 C ATOM 2861 NZ LYS B 87 0.963 3.229 17.337 1.00 0.00 N ATOM 0 H LYS B 87 3.468 3.478 12.484 1.00 0.00 H new ATOM 0 HA LYS B 87 1.446 1.398 12.381 1.00 0.00 H new ATOM 0 HB2 LYS B 87 1.640 1.443 14.828 1.00 0.00 H new ATOM 0 HB3 LYS B 87 3.228 1.337 14.094 1.00 0.00 H new ATOM 0 HG2 LYS B 87 3.633 3.711 14.492 1.00 0.00 H new ATOM 0 HG3 LYS B 87 1.992 3.938 15.065 1.00 0.00 H new ATOM 0 HD2 LYS B 87 4.065 2.128 16.376 1.00 0.00 H new ATOM 0 HD3 LYS B 87 3.646 3.739 16.926 1.00 0.00 H new ATOM 0 HE2 LYS B 87 1.765 1.350 16.777 1.00 0.00 H new ATOM 0 HE3 LYS B 87 2.458 2.028 18.238 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 0.276 2.874 18.032 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 1.312 4.161 17.640 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 0.502 3.317 16.409 1.00 0.00 H new ATOM 2875 N SER B 88 -0.487 2.611 13.687 1.00 0.00 N ATOM 2876 CA SER B 88 -1.736 3.312 13.956 1.00 0.00 C ATOM 2877 C SER B 88 -2.449 2.698 15.155 1.00 0.00 C ATOM 2878 O SER B 88 -2.618 1.481 15.233 1.00 0.00 O ATOM 2879 CB SER B 88 -2.645 3.248 12.730 1.00 0.00 C ATOM 2880 OG SER B 88 -2.014 3.809 11.593 1.00 0.00 O ATOM 0 H SER B 88 -0.471 1.645 14.015 1.00 0.00 H new ATOM 0 HA SER B 88 -1.505 4.353 14.181 1.00 0.00 H new ATOM 0 HB2 SER B 88 -2.912 2.211 12.526 1.00 0.00 H new ATOM 0 HB3 SER B 88 -3.573 3.782 12.934 1.00 0.00 H new ATOM 0 HG SER B 88 -2.113 3.201 10.831 1.00 0.00 H new ATOM 2886 N GLY B 89 -2.869 3.547 16.087 1.00 0.00 N ATOM 2887 CA GLY B 89 -3.560 3.070 17.269 1.00 0.00 C ATOM 2888 C GLY B 89 -2.719 2.107 18.084 1.00 0.00 C ATOM 2889 O GLY B 89 -1.669 2.534 18.608 1.00 0.00 O ATOM 2890 OXT GLY B 89 -3.112 0.928 18.202 1.00 0.00 O ATOM 0 H GLY B 89 -2.743 4.558 16.044 1.00 0.00 H new ATOM 0 HA2 GLY B 89 -3.838 3.921 17.891 1.00 0.00 H new ATOM 0 HA3 GLY B 89 -4.485 2.577 16.971 1.00 0.00 H new ATOM 2895 N MET C 1 -10.415 -8.954 13.145 1.00 0.00 N ATOM 2896 CA MET C 1 -9.193 -8.293 12.602 1.00 0.00 C ATOM 2897 C MET C 1 -8.319 -9.283 11.837 1.00 0.00 C ATOM 2898 O MET C 1 -8.157 -10.432 12.250 1.00 0.00 O ATOM 2899 CB MET C 1 -8.403 -7.683 13.763 1.00 0.00 C ATOM 2900 CG MET C 1 -9.176 -6.629 14.539 1.00 0.00 C ATOM 2901 SD MET C 1 -8.217 -5.920 15.891 1.00 0.00 S ATOM 2902 CE MET C 1 -7.879 -7.381 16.871 1.00 0.00 C ATOM 0 H1 MET C 1 -11.259 -8.435 12.831 1.00 0.00 H new ATOM 0 H2 MET C 1 -10.463 -9.934 12.799 1.00 0.00 H new ATOM 0 H3 MET C 1 -10.376 -8.955 14.184 1.00 0.00 H new ATOM 0 HA MET C 1 -9.496 -7.513 11.903 1.00 0.00 H new ATOM 0 HB2 MET C 1 -8.105 -8.479 14.446 1.00 0.00 H new ATOM 0 HB3 MET C 1 -7.488 -7.237 13.374 1.00 0.00 H new ATOM 0 HG2 MET C 1 -9.481 -5.834 13.859 1.00 0.00 H new ATOM 0 HG3 MET C 1 -10.087 -7.073 14.939 1.00 0.00 H new ATOM 0 HE1 MET C 1 -7.636 -7.086 17.892 1.00 0.00 H new ATOM 0 HE2 MET C 1 -8.758 -8.025 16.879 1.00 0.00 H new ATOM 0 HE3 MET C 1 -7.037 -7.922 16.439 1.00 0.00 H new ATOM 2914 N LYS C 2 -7.756 -8.830 10.722 1.00 0.00 N ATOM 2915 CA LYS C 2 -6.895 -9.675 9.901 1.00 0.00 C ATOM 2916 C LYS C 2 -5.962 -8.838 9.045 1.00 0.00 C ATOM 2917 O LYS C 2 -6.359 -7.820 8.477 1.00 0.00 O ATOM 2918 CB LYS C 2 -7.730 -10.601 9.017 1.00 0.00 C ATOM 2919 CG LYS C 2 -8.543 -11.618 9.800 1.00 0.00 C ATOM 2920 CD LYS C 2 -9.278 -12.571 8.874 1.00 0.00 C ATOM 2921 CE LYS C 2 -10.008 -13.650 9.656 1.00 0.00 C ATOM 2922 NZ LYS C 2 -11.055 -13.080 10.548 1.00 0.00 N ATOM 0 H LYS C 2 -7.880 -7.882 10.366 1.00 0.00 H new ATOM 0 HA LYS C 2 -6.290 -10.283 10.573 1.00 0.00 H new ATOM 0 HB2 LYS C 2 -8.405 -9.998 8.409 1.00 0.00 H new ATOM 0 HB3 LYS C 2 -7.068 -11.128 8.330 1.00 0.00 H new ATOM 0 HG2 LYS C 2 -7.884 -12.184 10.458 1.00 0.00 H new ATOM 0 HG3 LYS C 2 -9.261 -11.100 10.436 1.00 0.00 H new ATOM 0 HD2 LYS C 2 -9.991 -12.013 8.267 1.00 0.00 H new ATOM 0 HD3 LYS C 2 -8.569 -13.034 8.188 1.00 0.00 H new ATOM 0 HE2 LYS C 2 -10.467 -14.353 8.961 1.00 0.00 H new ATOM 0 HE3 LYS C 2 -9.291 -14.213 10.253 1.00 0.00 H new ATOM 0 HZ1 LYS C 2 -11.529 -13.849 11.063 1.00 0.00 H new ATOM 0 HZ2 LYS C 2 -10.614 -12.428 11.228 1.00 0.00 H new ATOM 0 HZ3 LYS C 2 -11.754 -12.564 9.977 1.00 0.00 H new ATOM 2936 N ASP C 3 -4.709 -9.270 8.970 1.00 0.00 N ATOM 2937 CA ASP C 3 -3.702 -8.557 8.200 1.00 0.00 C ATOM 2938 C ASP C 3 -3.679 -8.994 6.737 1.00 0.00 C ATOM 2939 O ASP C 3 -3.501 -10.173 6.430 1.00 0.00 O ATOM 2940 CB ASP C 3 -2.321 -8.757 8.827 1.00 0.00 C ATOM 2941 CG ASP C 3 -1.949 -10.222 8.964 1.00 0.00 C ATOM 2942 OD1 ASP C 3 -2.775 -11.084 8.596 1.00 0.00 O ATOM 2943 OD2 ASP C 3 -0.833 -10.508 9.445 1.00 0.00 O ATOM 0 H ASP C 3 -4.368 -10.112 9.434 1.00 0.00 H new ATOM 0 HA ASP C 3 -3.965 -7.499 8.222 1.00 0.00 H new ATOM 0 HB2 ASP C 3 -1.572 -8.251 8.217 1.00 0.00 H new ATOM 0 HB3 ASP C 3 -2.301 -8.287 9.810 1.00 0.00 H new ATOM 2948 N THR C 4 -3.832 -8.023 5.842 1.00 0.00 N ATOM 2949 CA THR C 4 -3.803 -8.284 4.413 1.00 0.00 C ATOM 2950 C THR C 4 -2.368 -8.505 3.945 1.00 0.00 C ATOM 2951 O THR C 4 -1.433 -7.927 4.495 1.00 0.00 O ATOM 2952 CB THR C 4 -4.431 -7.114 3.661 1.00 0.00 C ATOM 2953 OG1 THR C 4 -5.822 -7.049 3.911 1.00 0.00 O ATOM 2954 CG2 THR C 4 -4.231 -7.175 2.161 1.00 0.00 C ATOM 0 H THR C 4 -3.978 -7.044 6.087 1.00 0.00 H new ATOM 0 HA THR C 4 -4.377 -9.187 4.206 1.00 0.00 H new ATOM 0 HB THR C 4 -3.919 -6.227 4.035 1.00 0.00 H new ATOM 0 HG1 THR C 4 -6.273 -6.636 3.145 1.00 0.00 H new ATOM 0 HG21 THR C 4 -4.705 -6.311 1.695 1.00 0.00 H new ATOM 0 HG22 THR C 4 -3.165 -7.170 1.936 1.00 0.00 H new ATOM 0 HG23 THR C 4 -4.680 -8.089 1.771 1.00 0.00 H new ATOM 2962 N GLY C 5 -2.201 -9.340 2.927 1.00 0.00 N ATOM 2963 CA GLY C 5 -0.874 -9.610 2.410 1.00 0.00 C ATOM 2964 C GLY C 5 -0.904 -10.138 0.992 1.00 0.00 C ATOM 2965 O GLY C 5 -1.606 -11.105 0.698 1.00 0.00 O ATOM 0 H GLY C 5 -2.957 -9.833 2.452 1.00 0.00 H new ATOM 0 HA2 GLY C 5 -0.282 -8.696 2.442 1.00 0.00 H new ATOM 0 HA3 GLY C 5 -0.376 -10.335 3.054 1.00 0.00 H new ATOM 2969 N ILE C 6 -0.137 -9.500 0.112 1.00 0.00 N ATOM 2970 CA ILE C 6 -0.079 -9.905 -1.287 1.00 0.00 C ATOM 2971 C ILE C 6 1.180 -9.373 -1.968 1.00 0.00 C ATOM 2972 O ILE C 6 1.615 -8.251 -1.711 1.00 0.00 O ATOM 2973 CB ILE C 6 -1.328 -9.435 -2.066 1.00 0.00 C ATOM 2974 CG1 ILE C 6 -1.551 -7.930 -1.892 1.00 0.00 C ATOM 2975 CG2 ILE C 6 -2.560 -10.206 -1.618 1.00 0.00 C ATOM 2976 CD1 ILE C 6 -0.583 -7.073 -2.676 1.00 0.00 C ATOM 0 H ILE C 6 0.452 -8.701 0.344 1.00 0.00 H new ATOM 0 HA ILE C 6 -0.051 -10.995 -1.298 1.00 0.00 H new ATOM 0 HB ILE C 6 -1.157 -9.634 -3.124 1.00 0.00 H new ATOM 0 HG12 ILE C 6 -2.568 -7.685 -2.198 1.00 0.00 H new ATOM 0 HG13 ILE C 6 -1.468 -7.680 -0.834 1.00 0.00 H new ATOM 0 HG21 ILE C 6 -3.429 -9.861 -2.178 1.00 0.00 H new ATOM 0 HG22 ILE C 6 -2.410 -11.270 -1.801 1.00 0.00 H new ATOM 0 HG23 ILE C 6 -2.725 -10.041 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE C 6 -0.805 -6.020 -2.501 1.00 0.00 H new ATOM 0 HD12 ILE C 6 0.436 -7.287 -2.354 1.00 0.00 H new ATOM 0 HD13 ILE C 6 -0.681 -7.293 -3.739 1.00 0.00 H new ATOM 2988 N GLN C 7 1.771 -10.202 -2.823 1.00 0.00 N ATOM 2989 CA GLN C 7 2.989 -9.834 -3.536 1.00 0.00 C ATOM 2990 C GLN C 7 2.703 -9.478 -4.992 1.00 0.00 C ATOM 2991 O GLN C 7 2.858 -10.315 -5.882 1.00 0.00 O ATOM 2992 CB GLN C 7 4.001 -10.981 -3.474 1.00 0.00 C ATOM 2993 CG GLN C 7 5.263 -10.729 -4.287 1.00 0.00 C ATOM 2994 CD GLN C 7 6.215 -11.907 -4.265 1.00 0.00 C ATOM 2995 OE1 GLN C 7 5.846 -13.027 -4.618 1.00 0.00 O ATOM 2996 NE2 GLN C 7 7.453 -11.655 -3.860 1.00 0.00 N ATOM 0 H GLN C 7 1.424 -11.137 -3.039 1.00 0.00 H new ATOM 0 HA GLN C 7 3.404 -8.952 -3.048 1.00 0.00 H new ATOM 0 HB2 GLN C 7 4.278 -11.153 -2.434 1.00 0.00 H new ATOM 0 HB3 GLN C 7 3.525 -11.894 -3.833 1.00 0.00 H new ATOM 0 HG2 GLN C 7 4.988 -10.508 -5.318 1.00 0.00 H new ATOM 0 HG3 GLN C 7 5.772 -9.848 -3.897 1.00 0.00 H new ATOM 0 HE21 GLN C 7 7.715 -10.711 -3.576 1.00 0.00 H new ATOM 0 HE22 GLN C 7 8.143 -12.405 -3.832 1.00 0.00 H new ATOM 3005 N VAL C 8 2.308 -8.234 -5.241 1.00 0.00 N ATOM 3006 CA VAL C 8 2.033 -7.792 -6.602 1.00 0.00 C ATOM 3007 C VAL C 8 3.346 -7.497 -7.332 1.00 0.00 C ATOM 3008 O VAL C 8 4.287 -6.970 -6.740 1.00 0.00 O ATOM 3009 CB VAL C 8 1.123 -6.543 -6.624 1.00 0.00 C ATOM 3010 CG1 VAL C 8 0.836 -6.097 -8.052 1.00 0.00 C ATOM 3011 CG2 VAL C 8 -0.175 -6.818 -5.881 1.00 0.00 C ATOM 0 H VAL C 8 2.172 -7.520 -4.525 1.00 0.00 H new ATOM 0 HA VAL C 8 1.505 -8.597 -7.113 1.00 0.00 H new ATOM 0 HB VAL C 8 1.650 -5.734 -6.119 1.00 0.00 H new ATOM 0 HG11 VAL C 8 0.194 -5.217 -8.036 1.00 0.00 H new ATOM 0 HG12 VAL C 8 1.773 -5.853 -8.552 1.00 0.00 H new ATOM 0 HG13 VAL C 8 0.335 -6.902 -8.591 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -0.804 -5.928 -5.906 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -0.699 -7.646 -6.358 1.00 0.00 H new ATOM 0 HG23 VAL C 8 0.046 -7.077 -4.846 1.00 0.00 H new ATOM 3222 N ASP D 3 -3.504 11.215 6.827 1.00 0.00 N ATOM 3223 CA ASP D 3 -3.570 10.330 5.675 1.00 0.00 C ATOM 3224 C ASP D 3 -2.320 10.437 4.807 1.00 0.00 C ATOM 3225 O ASP D 3 -2.085 11.450 4.153 1.00 0.00 O ATOM 3226 CB ASP D 3 -4.824 10.632 4.847 1.00 0.00 C ATOM 3227 CG ASP D 3 -4.962 12.104 4.500 1.00 0.00 C ATOM 3228 OD1 ASP D 3 -4.097 12.628 3.769 1.00 0.00 O ATOM 3229 OD2 ASP D 3 -5.939 12.730 4.960 1.00 0.00 O ATOM 0 HA ASP D 3 -3.624 9.306 6.046 1.00 0.00 H new ATOM 0 HB2 ASP D 3 -4.795 10.048 3.927 1.00 0.00 H new ATOM 0 HB3 ASP D 3 -5.706 10.310 5.401 1.00 0.00 H new ATOM 3234 N THR D 4 -1.525 9.369 4.797 1.00 0.00 N ATOM 3235 CA THR D 4 -0.312 9.323 4.003 1.00 0.00 C ATOM 3236 C THR D 4 -0.662 9.136 2.533 1.00 0.00 C ATOM 3237 O THR D 4 -1.664 8.503 2.207 1.00 0.00 O ATOM 3238 CB THR D 4 0.581 8.180 4.481 1.00 0.00 C ATOM 3239 OG1 THR D 4 1.833 8.212 3.821 1.00 0.00 O ATOM 3240 CG2 THR D 4 -0.022 6.811 4.247 1.00 0.00 C ATOM 0 H THR D 4 -1.706 8.522 5.335 1.00 0.00 H new ATOM 0 HA THR D 4 0.227 10.263 4.121 1.00 0.00 H new ATOM 0 HB THR D 4 0.694 8.333 5.554 1.00 0.00 H new ATOM 0 HG1 THR D 4 2.514 8.568 4.429 1.00 0.00 H new ATOM 0 HG21 THR D 4 0.663 6.045 4.609 1.00 0.00 H new ATOM 0 HG22 THR D 4 -0.968 6.734 4.782 1.00 0.00 H new ATOM 0 HG23 THR D 4 -0.196 6.667 3.181 1.00 0.00 H new ATOM 3248 N GLY D 5 0.158 9.686 1.650 1.00 0.00 N ATOM 3249 CA GLY D 5 -0.104 9.555 0.232 1.00 0.00 C ATOM 3250 C GLY D 5 1.165 9.558 -0.590 1.00 0.00 C ATOM 3251 O GLY D 5 2.011 10.438 -0.436 1.00 0.00 O ATOM 0 H GLY D 5 0.995 10.218 1.888 1.00 0.00 H new ATOM 0 HA2 GLY D 5 -0.650 8.629 0.050 1.00 0.00 H new ATOM 0 HA3 GLY D 5 -0.747 10.373 -0.093 1.00 0.00 H new ATOM 3255 N ILE D 6 1.301 8.566 -1.465 1.00 0.00 N ATOM 3256 CA ILE D 6 2.483 8.461 -2.311 1.00 0.00 C ATOM 3257 C ILE D 6 2.230 7.583 -3.528 1.00 0.00 C ATOM 3258 O ILE D 6 1.578 6.543 -3.434 1.00 0.00 O ATOM 3259 CB ILE D 6 3.696 7.918 -1.526 1.00 0.00 C ATOM 3260 CG1 ILE D 6 3.302 6.713 -0.668 1.00 0.00 C ATOM 3261 CG2 ILE D 6 4.306 9.011 -0.661 1.00 0.00 C ATOM 3262 CD1 ILE D 6 3.073 5.446 -1.462 1.00 0.00 C ATOM 0 H ILE D 6 0.611 7.828 -1.606 1.00 0.00 H new ATOM 0 HA ILE D 6 2.709 9.471 -2.652 1.00 0.00 H new ATOM 0 HB ILE D 6 4.443 7.589 -2.248 1.00 0.00 H new ATOM 0 HG12 ILE D 6 4.085 6.532 0.069 1.00 0.00 H new ATOM 0 HG13 ILE D 6 2.394 6.954 -0.116 1.00 0.00 H new ATOM 0 HG21 ILE D 6 5.160 8.609 -0.115 1.00 0.00 H new ATOM 0 HG22 ILE D 6 4.635 9.835 -1.294 1.00 0.00 H new ATOM 0 HG23 ILE D 6 3.561 9.373 0.047 1.00 0.00 H new ATOM 0 HD11 ILE D 6 2.798 4.637 -0.785 1.00 0.00 H new ATOM 0 HD12 ILE D 6 2.270 5.607 -2.181 1.00 0.00 H new ATOM 0 HD13 ILE D 6 3.987 5.179 -1.993 1.00 0.00 H new ATOM 3274 N GLN D 7 2.743 8.020 -4.674 1.00 0.00 N ATOM 3275 CA GLN D 7 2.576 7.290 -5.926 1.00 0.00 C ATOM 3276 C GLN D 7 3.925 6.841 -6.486 1.00 0.00 C ATOM 3277 O GLN D 7 4.479 7.474 -7.384 1.00 0.00 O ATOM 3278 CB GLN D 7 1.844 8.161 -6.952 1.00 0.00 C ATOM 3279 CG GLN D 7 2.513 9.503 -7.209 1.00 0.00 C ATOM 3280 CD GLN D 7 1.780 10.329 -8.249 1.00 0.00 C ATOM 3281 OE1 GLN D 7 1.584 9.891 -9.381 1.00 0.00 O ATOM 3282 NE2 GLN D 7 1.379 11.537 -7.869 1.00 0.00 N ATOM 0 H GLN D 7 3.281 8.882 -4.761 1.00 0.00 H new ATOM 0 HA GLN D 7 1.980 6.401 -5.722 1.00 0.00 H new ATOM 0 HB2 GLN D 7 1.773 7.615 -7.893 1.00 0.00 H new ATOM 0 HB3 GLN D 7 0.825 8.334 -6.606 1.00 0.00 H new ATOM 0 HG2 GLN D 7 2.565 10.064 -6.276 1.00 0.00 H new ATOM 0 HG3 GLN D 7 3.538 9.337 -7.539 1.00 0.00 H new ATOM 0 HE21 GLN D 7 1.563 11.860 -6.919 1.00 0.00 H new ATOM 0 HE22 GLN D 7 0.887 12.141 -8.527 1.00 0.00 H new ATOM 3291 N VAL D 8 4.451 5.744 -5.953 1.00 0.00 N ATOM 3292 CA VAL D 8 5.736 5.219 -6.401 1.00 0.00 C ATOM 3293 C VAL D 8 5.630 4.650 -7.814 1.00 0.00 C ATOM 3294 O VAL D 8 4.628 4.029 -8.170 1.00 0.00 O ATOM 3295 CB VAL D 8 6.254 4.120 -5.455 1.00 0.00 C ATOM 3296 CG1 VAL D 8 7.660 3.692 -5.846 1.00 0.00 C ATOM 3297 CG2 VAL D 8 6.210 4.597 -4.014 1.00 0.00 C ATOM 0 H VAL D 8 4.008 5.201 -5.211 1.00 0.00 H new ATOM 0 HA VAL D 8 6.440 6.051 -6.397 1.00 0.00 H new ATOM 0 HB VAL D 8 5.603 3.251 -5.545 1.00 0.00 H new ATOM 0 HG11 VAL D 8 8.007 2.915 -5.165 1.00 0.00 H new ATOM 0 HG12 VAL D 8 7.652 3.304 -6.865 1.00 0.00 H new ATOM 0 HG13 VAL D 8 8.330 4.550 -5.789 1.00 0.00 H new ATOM 0 HG21 VAL D 8 6.579 3.809 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL D 8 6.836 5.483 -3.905 1.00 0.00 H new ATOM 0 HG23 VAL D 8 5.183 4.843 -3.743 1.00 0.00 H new ATOM 3307 N ASP D 9 6.665 4.877 -8.621 1.00 0.00 N ATOM 3308 CA ASP D 9 6.678 4.393 -9.998 1.00 0.00 C ATOM 3309 C ASP D 9 8.003 4.721 -10.685 1.00 0.00 C ATOM 3310 O ASP D 9 8.026 5.341 -11.749 1.00 0.00 O ATOM 3311 CB ASP D 9 5.519 5.009 -10.785 1.00 0.00 C ATOM 3312 CG ASP D 9 5.587 6.522 -10.829 1.00 0.00 C ATOM 3313 OD1 ASP D 9 5.559 7.149 -9.749 1.00 0.00 O ATOM 3314 OD2 ASP D 9 5.669 7.081 -11.942 1.00 0.00 O ATOM 0 H ASP D 9 7.502 5.391 -8.346 1.00 0.00 H new ATOM 0 HA ASP D 9 6.563 3.309 -9.975 1.00 0.00 H new ATOM 0 HB2 ASP D 9 5.527 4.618 -11.803 1.00 0.00 H new ATOM 0 HB3 ASP D 9 4.575 4.704 -10.334 1.00 0.00 H new