USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 641 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 THR OG1 : rot 180:sc= 0.00331 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-0.79) USER MOD Set 2.1: A 49 ASN : amide:sc= -5.07! C(o=-6.8!,f=-11!) USER MOD Set 2.2: A 51 ASN : amide:sc= -1.68! C(o=-6.8!,f=-11!) USER MOD Set 3.1: A 28 CYS SG : rot -136:sc= 0.655 USER MOD Set 3.2: A 30 TYR OH : rot 78:sc= 1.48 USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.00502 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 2:sc= 0.462 USER MOD Single : A 11 SER OG : rot -170:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -158:sc= 0.174 (180deg=0.082) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -131:sc= -6.01! (180deg=-8.53!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 59 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.8) USER MOD Single : A 62 LYS NZ :NH3+ -150:sc= -0.796 (180deg=-1.93!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 77 ASN : amide:sc= -1.08 K(o=-1.1,f=-5!) USER MOD Single : A 81 ASN : amide:sc= 0.0512 X(o=0.051,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.766 -2.471 -20.658 1.00 0.00 N ATOM 2 CA GLY A 1 22.007 -3.207 -19.665 1.00 0.00 C ATOM 3 C GLY A 1 21.105 -4.256 -20.285 1.00 0.00 C ATOM 4 O GLY A 1 21.492 -4.934 -21.236 1.00 0.00 O ATOM 0 H1 GLY A 1 23.743 -2.343 -20.324 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.772 -3.001 -21.553 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.328 -1.540 -20.810 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.695 -3.689 -18.970 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.403 -2.510 -19.084 1.00 0.00 H new ATOM 8 N SER A 2 19.898 -4.390 -19.744 1.00 0.00 N ATOM 9 CA SER A 2 18.940 -5.368 -20.247 1.00 0.00 C ATOM 10 C SER A 2 17.575 -4.724 -20.474 1.00 0.00 C ATOM 11 O SER A 2 17.018 -4.091 -19.577 1.00 0.00 O ATOM 12 CB SER A 2 18.809 -6.535 -19.267 1.00 0.00 C ATOM 13 OG SER A 2 17.991 -7.561 -19.802 1.00 0.00 O ATOM 0 H SER A 2 19.561 -3.834 -18.958 1.00 0.00 H new ATOM 0 HA SER A 2 19.309 -5.744 -21.201 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.797 -6.935 -19.039 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.384 -6.180 -18.328 1.00 0.00 H new ATOM 0 HG SER A 2 17.925 -8.296 -19.157 1.00 0.00 H new ATOM 19 N SER A 3 17.042 -4.891 -21.680 1.00 0.00 N ATOM 20 CA SER A 3 15.745 -4.323 -22.028 1.00 0.00 C ATOM 21 C SER A 3 15.203 -4.951 -23.308 1.00 0.00 C ATOM 22 O SER A 3 15.798 -4.822 -24.377 1.00 0.00 O ATOM 23 CB SER A 3 15.857 -2.807 -22.198 1.00 0.00 C ATOM 24 OG SER A 3 14.584 -2.223 -22.418 1.00 0.00 O ATOM 0 H SER A 3 17.488 -5.415 -22.433 1.00 0.00 H new ATOM 0 HA SER A 3 15.051 -4.540 -21.215 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.312 -2.371 -21.309 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.515 -2.580 -23.037 1.00 0.00 H new ATOM 0 HG SER A 3 14.682 -1.253 -22.522 1.00 0.00 H new ATOM 30 N GLY A 4 14.067 -5.634 -23.190 1.00 0.00 N ATOM 31 CA GLY A 4 13.463 -6.272 -24.344 1.00 0.00 C ATOM 32 C GLY A 4 13.879 -7.723 -24.488 1.00 0.00 C ATOM 33 O GLY A 4 14.490 -8.105 -25.487 1.00 0.00 O ATOM 0 H GLY A 4 13.556 -5.756 -22.316 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.378 -6.215 -24.260 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.742 -5.726 -25.245 1.00 0.00 H new ATOM 37 N SER A 5 13.549 -8.534 -23.488 1.00 0.00 N ATOM 38 CA SER A 5 13.897 -9.950 -23.505 1.00 0.00 C ATOM 39 C SER A 5 12.682 -10.804 -23.853 1.00 0.00 C ATOM 40 O SER A 5 12.732 -11.634 -24.760 1.00 0.00 O ATOM 41 CB SER A 5 14.461 -10.374 -22.147 1.00 0.00 C ATOM 42 OG SER A 5 15.271 -11.530 -22.271 1.00 0.00 O ATOM 0 H SER A 5 13.041 -8.235 -22.656 1.00 0.00 H new ATOM 0 HA SER A 5 14.658 -10.103 -24.271 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.047 -9.559 -21.722 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.642 -10.572 -21.455 1.00 0.00 H new ATOM 0 HG SER A 5 15.621 -11.780 -21.390 1.00 0.00 H new ATOM 48 N SER A 6 11.590 -10.593 -23.124 1.00 0.00 N ATOM 49 CA SER A 6 10.362 -11.346 -23.352 1.00 0.00 C ATOM 50 C SER A 6 9.150 -10.575 -22.840 1.00 0.00 C ATOM 51 O SER A 6 9.168 -10.027 -21.738 1.00 0.00 O ATOM 52 CB SER A 6 10.440 -12.711 -22.664 1.00 0.00 C ATOM 53 OG SER A 6 11.459 -13.513 -23.237 1.00 0.00 O ATOM 0 H SER A 6 11.531 -9.907 -22.371 1.00 0.00 H new ATOM 0 HA SER A 6 10.250 -11.494 -24.426 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.635 -12.575 -21.600 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.480 -13.221 -22.750 1.00 0.00 H new ATOM 0 HG SER A 6 11.923 -13.004 -23.933 1.00 0.00 H new ATOM 59 N GLY A 7 8.095 -10.536 -23.649 1.00 0.00 N ATOM 60 CA GLY A 7 6.888 -9.830 -23.262 1.00 0.00 C ATOM 61 C GLY A 7 6.248 -10.415 -22.019 1.00 0.00 C ATOM 62 O GLY A 7 6.295 -11.621 -21.779 1.00 0.00 O ATOM 0 H GLY A 7 8.055 -10.981 -24.566 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.125 -8.781 -23.085 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.173 -9.861 -24.084 1.00 0.00 H new ATOM 66 N PRO A 8 5.633 -9.547 -21.202 1.00 0.00 N ATOM 67 CA PRO A 8 4.969 -9.962 -19.962 1.00 0.00 C ATOM 68 C PRO A 8 3.700 -10.765 -20.225 1.00 0.00 C ATOM 69 O PRO A 8 3.464 -11.224 -21.343 1.00 0.00 O ATOM 70 CB PRO A 8 4.630 -8.634 -19.281 1.00 0.00 C ATOM 71 CG PRO A 8 4.537 -7.649 -20.394 1.00 0.00 C ATOM 72 CD PRO A 8 5.537 -8.095 -21.425 1.00 0.00 C ATOM 0 HA PRO A 8 5.600 -10.617 -19.361 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.691 -8.700 -18.731 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.400 -8.349 -18.564 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.530 -7.625 -20.811 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.761 -6.641 -20.043 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.201 -7.865 -22.436 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.500 -7.603 -21.290 1.00 0.00 H new ATOM 80 N LEU A 9 2.886 -10.932 -19.188 1.00 0.00 N ATOM 81 CA LEU A 9 1.639 -11.680 -19.307 1.00 0.00 C ATOM 82 C LEU A 9 0.462 -10.864 -18.782 1.00 0.00 C ATOM 83 O LEU A 9 0.584 -10.095 -17.828 1.00 0.00 O ATOM 84 CB LEU A 9 1.740 -13.001 -18.543 1.00 0.00 C ATOM 85 CG LEU A 9 1.605 -12.909 -17.023 1.00 0.00 C ATOM 86 CD1 LEU A 9 1.037 -14.203 -16.458 1.00 0.00 C ATOM 87 CD2 LEU A 9 2.950 -12.592 -16.386 1.00 0.00 C ATOM 0 H LEU A 9 3.067 -10.560 -18.256 1.00 0.00 H new ATOM 0 HA LEU A 9 1.469 -11.890 -20.363 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.968 -13.673 -18.916 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.701 -13.459 -18.775 1.00 0.00 H new ATOM 0 HG LEU A 9 0.914 -12.099 -16.787 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.948 -14.119 -15.375 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.053 -14.388 -16.890 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.702 -15.031 -16.704 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.835 -12.530 -15.304 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.663 -13.379 -16.631 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.317 -11.639 -16.767 1.00 0.00 H new ATOM 99 N PRO A 10 -0.707 -11.035 -19.417 1.00 0.00 N ATOM 100 CA PRO A 10 -1.930 -10.326 -19.029 1.00 0.00 C ATOM 101 C PRO A 10 -2.476 -10.802 -17.687 1.00 0.00 C ATOM 102 O PRO A 10 -3.328 -11.689 -17.633 1.00 0.00 O ATOM 103 CB PRO A 10 -2.909 -10.664 -20.155 1.00 0.00 C ATOM 104 CG PRO A 10 -2.423 -11.962 -20.703 1.00 0.00 C ATOM 105 CD PRO A 10 -0.926 -11.936 -20.561 1.00 0.00 C ATOM 0 HA PRO A 10 -1.758 -9.257 -18.902 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.929 -10.750 -19.780 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.915 -9.888 -20.921 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.852 -12.802 -20.157 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.714 -12.079 -21.747 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.523 -12.931 -20.372 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.443 -11.563 -21.464 1.00 0.00 H new ATOM 113 N SER A 11 -1.980 -10.207 -16.607 1.00 0.00 N ATOM 114 CA SER A 11 -2.417 -10.574 -15.264 1.00 0.00 C ATOM 115 C SER A 11 -2.987 -9.364 -14.529 1.00 0.00 C ATOM 116 O SER A 11 -2.420 -8.272 -14.572 1.00 0.00 O ATOM 117 CB SER A 11 -1.251 -11.164 -14.470 1.00 0.00 C ATOM 118 OG SER A 11 -1.120 -12.554 -14.713 1.00 0.00 O ATOM 0 H SER A 11 -1.276 -9.469 -16.635 1.00 0.00 H new ATOM 0 HA SER A 11 -3.202 -11.325 -15.356 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.327 -10.655 -14.743 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.407 -10.991 -13.405 1.00 0.00 H new ATOM 0 HG SER A 11 -0.476 -12.937 -14.081 1.00 0.00 H new ATOM 124 N THR A 12 -4.114 -9.567 -13.855 1.00 0.00 N ATOM 125 CA THR A 12 -4.763 -8.495 -13.111 1.00 0.00 C ATOM 126 C THR A 12 -4.165 -8.353 -11.716 1.00 0.00 C ATOM 127 O THR A 12 -3.669 -7.288 -11.350 1.00 0.00 O ATOM 128 CB THR A 12 -6.279 -8.737 -12.985 1.00 0.00 C ATOM 129 OG1 THR A 12 -6.524 -10.026 -12.412 1.00 0.00 O ATOM 130 CG2 THR A 12 -6.957 -8.643 -14.343 1.00 0.00 C ATOM 0 H THR A 12 -4.597 -10.464 -13.809 1.00 0.00 H new ATOM 0 HA THR A 12 -4.594 -7.575 -13.671 1.00 0.00 H new ATOM 0 HB THR A 12 -6.694 -7.967 -12.335 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.490 -10.171 -12.334 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.027 -8.817 -14.228 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.794 -7.650 -14.763 1.00 0.00 H new ATOM 0 HG23 THR A 12 -6.537 -9.394 -15.012 1.00 0.00 H new ATOM 138 N GLN A 13 -4.215 -9.433 -10.943 1.00 0.00 N ATOM 139 CA GLN A 13 -3.677 -9.427 -9.588 1.00 0.00 C ATOM 140 C GLN A 13 -2.704 -10.583 -9.383 1.00 0.00 C ATOM 141 O GLN A 13 -3.084 -11.750 -9.467 1.00 0.00 O ATOM 142 CB GLN A 13 -4.812 -9.514 -8.566 1.00 0.00 C ATOM 143 CG GLN A 13 -5.703 -8.283 -8.540 1.00 0.00 C ATOM 144 CD GLN A 13 -6.864 -8.423 -7.575 1.00 0.00 C ATOM 145 OE1 GLN A 13 -6.753 -9.088 -6.544 1.00 0.00 O ATOM 146 NE2 GLN A 13 -7.987 -7.796 -7.905 1.00 0.00 N ATOM 0 H GLN A 13 -4.622 -10.323 -11.232 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.137 -8.491 -9.443 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.422 -10.389 -8.787 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.386 -9.665 -7.574 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.107 -7.414 -8.262 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.089 -8.097 -9.542 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.035 -7.256 -8.769 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.802 -7.854 -7.294 1.00 0.00 H new ATOM 155 N ASN A 14 -1.445 -10.250 -9.116 1.00 0.00 N ATOM 156 CA ASN A 14 -0.416 -11.261 -8.901 1.00 0.00 C ATOM 157 C ASN A 14 0.528 -10.845 -7.777 1.00 0.00 C ATOM 158 O ASN A 14 1.060 -9.736 -7.776 1.00 0.00 O ATOM 159 CB ASN A 14 0.378 -11.493 -10.189 1.00 0.00 C ATOM 160 CG ASN A 14 1.358 -12.643 -10.064 1.00 0.00 C ATOM 161 OD1 ASN A 14 1.126 -13.593 -9.316 1.00 0.00 O ATOM 162 ND2 ASN A 14 2.462 -12.561 -10.798 1.00 0.00 N ATOM 0 H ASN A 14 -1.113 -9.288 -9.043 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.909 -12.190 -8.613 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.313 -11.695 -11.007 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.920 -10.583 -10.447 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.159 -13.304 -10.755 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.613 -11.755 -11.404 1.00 0.00 H new ATOM 169 N GLY A 15 0.732 -11.745 -6.819 1.00 0.00 N ATOM 170 CA GLY A 15 1.611 -11.454 -5.702 1.00 0.00 C ATOM 171 C GLY A 15 1.188 -10.216 -4.938 1.00 0.00 C ATOM 172 O GLY A 15 0.035 -9.788 -4.996 1.00 0.00 O ATOM 0 H GLY A 15 0.304 -12.670 -6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.627 -12.308 -5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.628 -11.320 -6.070 1.00 0.00 H new ATOM 176 N PRO A 16 2.135 -9.619 -4.200 1.00 0.00 N ATOM 177 CA PRO A 16 1.878 -8.414 -3.406 1.00 0.00 C ATOM 178 C PRO A 16 1.643 -7.184 -4.277 1.00 0.00 C ATOM 179 O PRO A 16 2.462 -6.854 -5.135 1.00 0.00 O ATOM 180 CB PRO A 16 3.158 -8.250 -2.583 1.00 0.00 C ATOM 181 CG PRO A 16 4.213 -8.929 -3.387 1.00 0.00 C ATOM 182 CD PRO A 16 3.531 -10.073 -4.084 1.00 0.00 C ATOM 0 HA PRO A 16 0.976 -8.510 -2.801 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.396 -7.198 -2.425 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.057 -8.705 -1.598 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.657 -8.242 -4.107 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.021 -9.287 -2.748 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.972 -10.269 -5.061 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.607 -10.996 -3.509 1.00 0.00 H new ATOM 190 N VAL A 17 0.521 -6.510 -4.050 1.00 0.00 N ATOM 191 CA VAL A 17 0.179 -5.315 -4.814 1.00 0.00 C ATOM 192 C VAL A 17 0.981 -4.110 -4.336 1.00 0.00 C ATOM 193 O VAL A 17 1.105 -3.870 -3.135 1.00 0.00 O ATOM 194 CB VAL A 17 -1.323 -4.992 -4.709 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.664 -3.761 -5.535 1.00 0.00 C ATOM 196 CG2 VAL A 17 -2.156 -6.187 -5.149 1.00 0.00 C ATOM 0 H VAL A 17 -0.167 -6.770 -3.344 1.00 0.00 H new ATOM 0 HA VAL A 17 0.426 -5.523 -5.855 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.559 -4.777 -3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.730 -3.548 -5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.093 -2.908 -5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.414 -3.944 -6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.215 -5.942 -5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.918 -6.435 -6.184 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.932 -7.042 -4.510 1.00 0.00 H new ATOM 206 N PHE A 18 1.524 -3.353 -5.284 1.00 0.00 N ATOM 207 CA PHE A 18 2.315 -2.172 -4.960 1.00 0.00 C ATOM 208 C PHE A 18 1.684 -0.916 -5.554 1.00 0.00 C ATOM 209 O PHE A 18 1.208 -0.924 -6.688 1.00 0.00 O ATOM 210 CB PHE A 18 3.745 -2.332 -5.479 1.00 0.00 C ATOM 211 CG PHE A 18 4.480 -3.490 -4.865 1.00 0.00 C ATOM 212 CD1 PHE A 18 5.134 -3.347 -3.653 1.00 0.00 C ATOM 213 CD2 PHE A 18 4.516 -4.720 -5.501 1.00 0.00 C ATOM 214 CE1 PHE A 18 5.811 -4.410 -3.085 1.00 0.00 C ATOM 215 CE2 PHE A 18 5.190 -5.787 -4.938 1.00 0.00 C ATOM 216 CZ PHE A 18 5.839 -5.632 -3.729 1.00 0.00 C ATOM 0 H PHE A 18 1.430 -3.537 -6.283 1.00 0.00 H new ATOM 0 HA PHE A 18 2.339 -2.068 -3.875 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.718 -2.462 -6.561 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.299 -1.414 -5.282 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.115 -2.394 -3.145 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.012 -4.847 -6.448 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.317 -4.285 -2.139 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.209 -6.741 -5.443 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.367 -6.464 -3.288 1.00 0.00 H new ATOM 226 N ALA A 19 1.685 0.163 -4.778 1.00 0.00 N ATOM 227 CA ALA A 19 1.115 1.427 -5.226 1.00 0.00 C ATOM 228 C ALA A 19 2.088 2.580 -4.998 1.00 0.00 C ATOM 229 O ALA A 19 2.475 2.864 -3.865 1.00 0.00 O ATOM 230 CB ALA A 19 -0.201 1.696 -4.511 1.00 0.00 C ATOM 0 H ALA A 19 2.075 0.187 -3.836 1.00 0.00 H new ATOM 0 HA ALA A 19 0.925 1.352 -6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.615 2.643 -4.856 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.904 0.892 -4.728 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.028 1.745 -3.436 1.00 0.00 H new ATOM 236 N LYS A 20 2.479 3.240 -6.082 1.00 0.00 N ATOM 237 CA LYS A 20 3.407 4.362 -6.002 1.00 0.00 C ATOM 238 C LYS A 20 2.689 5.630 -5.549 1.00 0.00 C ATOM 239 O LYS A 20 1.692 6.037 -6.145 1.00 0.00 O ATOM 240 CB LYS A 20 4.073 4.598 -7.359 1.00 0.00 C ATOM 241 CG LYS A 20 4.806 5.925 -7.454 1.00 0.00 C ATOM 242 CD LYS A 20 5.751 5.956 -8.644 1.00 0.00 C ATOM 243 CE LYS A 20 6.873 6.962 -8.438 1.00 0.00 C ATOM 244 NZ LYS A 20 7.858 6.930 -9.555 1.00 0.00 N ATOM 0 H LYS A 20 2.168 3.017 -7.027 1.00 0.00 H new ATOM 0 HA LYS A 20 4.173 4.116 -5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.777 3.789 -7.555 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.313 4.555 -8.140 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.083 6.736 -7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.369 6.097 -6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.174 4.964 -8.800 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.194 6.210 -9.546 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.452 7.964 -8.354 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.383 6.750 -7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.607 7.630 -9.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.279 5.981 -9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.377 7.157 -10.449 1.00 0.00 H new ATOM 258 N ALA A 21 3.203 6.250 -4.492 1.00 0.00 N ATOM 259 CA ALA A 21 2.613 7.473 -3.962 1.00 0.00 C ATOM 260 C ALA A 21 2.832 8.645 -4.913 1.00 0.00 C ATOM 261 O ALA A 21 3.965 9.066 -5.143 1.00 0.00 O ATOM 262 CB ALA A 21 3.193 7.788 -2.591 1.00 0.00 C ATOM 0 H ALA A 21 4.027 5.925 -3.986 1.00 0.00 H new ATOM 0 HA ALA A 21 1.539 7.315 -3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.743 8.704 -2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.980 6.966 -1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.272 7.921 -2.674 1.00 0.00 H new ATOM 268 N ILE A 22 1.740 9.166 -5.463 1.00 0.00 N ATOM 269 CA ILE A 22 1.814 10.290 -6.389 1.00 0.00 C ATOM 270 C ILE A 22 1.761 11.619 -5.644 1.00 0.00 C ATOM 271 O ILE A 22 2.157 12.655 -6.177 1.00 0.00 O ATOM 272 CB ILE A 22 0.670 10.245 -7.420 1.00 0.00 C ATOM 273 CG1 ILE A 22 -0.674 10.052 -6.715 1.00 0.00 C ATOM 274 CG2 ILE A 22 0.910 9.133 -8.429 1.00 0.00 C ATOM 275 CD1 ILE A 22 -1.859 10.503 -7.540 1.00 0.00 C ATOM 0 H ILE A 22 0.794 8.828 -5.284 1.00 0.00 H new ATOM 0 HA ILE A 22 2.767 10.207 -6.912 1.00 0.00 H new ATOM 0 HB ILE A 22 0.645 11.194 -7.955 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.796 8.998 -6.465 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.665 10.604 -5.775 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.093 9.114 -9.151 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.851 9.311 -8.950 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.958 8.175 -7.911 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.778 10.337 -6.978 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.760 11.564 -7.769 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.894 9.934 -8.469 1.00 0.00 H new ATOM 287 N GLN A 23 1.270 11.581 -4.410 1.00 0.00 N ATOM 288 CA GLN A 23 1.167 12.784 -3.592 1.00 0.00 C ATOM 289 C GLN A 23 1.765 12.554 -2.208 1.00 0.00 C ATOM 290 O GLN A 23 2.073 11.422 -1.833 1.00 0.00 O ATOM 291 CB GLN A 23 -0.295 13.214 -3.463 1.00 0.00 C ATOM 292 CG GLN A 23 -0.863 13.829 -4.732 1.00 0.00 C ATOM 293 CD GLN A 23 -2.363 14.035 -4.660 1.00 0.00 C ATOM 294 OE1 GLN A 23 -2.838 15.069 -4.189 1.00 0.00 O ATOM 295 NE2 GLN A 23 -3.119 13.050 -5.130 1.00 0.00 N ATOM 0 H GLN A 23 0.937 10.731 -3.955 1.00 0.00 H new ATOM 0 HA GLN A 23 1.730 13.577 -4.084 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -0.897 12.348 -3.188 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.383 13.934 -2.649 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.377 14.787 -4.916 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.629 13.185 -5.580 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.683 12.210 -5.512 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.135 13.133 -5.110 1.00 0.00 H new ATOM 304 N LYS A 24 1.929 13.635 -1.452 1.00 0.00 N ATOM 305 CA LYS A 24 2.490 13.552 -0.109 1.00 0.00 C ATOM 306 C LYS A 24 1.397 13.286 0.921 1.00 0.00 C ATOM 307 O LYS A 24 0.424 14.034 1.015 1.00 0.00 O ATOM 308 CB LYS A 24 3.228 14.847 0.238 1.00 0.00 C ATOM 309 CG LYS A 24 4.224 14.694 1.375 1.00 0.00 C ATOM 310 CD LYS A 24 4.964 15.993 1.647 1.00 0.00 C ATOM 311 CE LYS A 24 5.710 15.942 2.971 1.00 0.00 C ATOM 312 NZ LYS A 24 6.928 15.088 2.889 1.00 0.00 N ATOM 0 H LYS A 24 1.681 14.579 -1.747 1.00 0.00 H new ATOM 0 HA LYS A 24 3.196 12.722 -0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.753 15.205 -0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.498 15.611 0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.701 14.376 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.941 13.911 1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.668 16.188 0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.255 16.821 1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.994 16.952 3.267 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.048 15.557 3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.408 15.079 3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.655 14.118 2.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.572 15.470 2.167 1.00 0.00 H new ATOM 326 N ARG A 25 1.566 12.217 1.694 1.00 0.00 N ATOM 327 CA ARG A 25 0.595 11.853 2.717 1.00 0.00 C ATOM 328 C ARG A 25 1.041 12.347 4.091 1.00 0.00 C ATOM 329 O ARG A 25 2.079 11.931 4.604 1.00 0.00 O ATOM 330 CB ARG A 25 0.398 10.337 2.748 1.00 0.00 C ATOM 331 CG ARG A 25 -0.710 9.885 3.686 1.00 0.00 C ATOM 332 CD ARG A 25 -2.083 10.232 3.133 1.00 0.00 C ATOM 333 NE ARG A 25 -2.524 11.558 3.557 1.00 0.00 N ATOM 334 CZ ARG A 25 -2.872 11.853 4.805 1.00 0.00 C ATOM 335 NH1 ARG A 25 -2.829 10.920 5.747 1.00 0.00 N ATOM 336 NH2 ARG A 25 -3.263 13.083 5.114 1.00 0.00 N ATOM 0 H ARG A 25 2.367 11.589 1.630 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.353 12.330 2.468 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.174 9.988 1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.333 9.864 3.049 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.640 8.808 3.841 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.579 10.357 4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.057 10.190 2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.806 9.486 3.464 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.567 12.298 2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.528 9.974 5.514 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.097 11.149 6.704 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.297 13.804 4.393 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.530 13.308 6.073 1.00 0.00 H new ATOM 350 N VAL A 26 0.249 13.238 4.680 1.00 0.00 N ATOM 351 CA VAL A 26 0.562 13.788 5.993 1.00 0.00 C ATOM 352 C VAL A 26 -0.593 13.580 6.966 1.00 0.00 C ATOM 353 O VAL A 26 -1.520 14.386 7.049 1.00 0.00 O ATOM 354 CB VAL A 26 0.883 15.292 5.909 1.00 0.00 C ATOM 355 CG1 VAL A 26 1.264 15.834 7.279 1.00 0.00 C ATOM 356 CG2 VAL A 26 1.993 15.544 4.900 1.00 0.00 C ATOM 0 H VAL A 26 -0.614 13.594 4.268 1.00 0.00 H new ATOM 0 HA VAL A 26 1.441 13.256 6.358 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.010 15.818 5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.487 16.898 7.200 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.435 15.688 7.972 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.143 15.305 7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.207 16.612 4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.891 15.007 5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.678 15.194 3.917 1.00 0.00 H new ATOM 366 N PRO A 27 -0.539 12.472 7.720 1.00 0.00 N ATOM 367 CA PRO A 27 -1.573 12.131 8.702 1.00 0.00 C ATOM 368 C PRO A 27 -1.562 13.069 9.904 1.00 0.00 C ATOM 369 O PRO A 27 -0.503 13.381 10.449 1.00 0.00 O ATOM 370 CB PRO A 27 -1.202 10.709 9.129 1.00 0.00 C ATOM 371 CG PRO A 27 0.263 10.608 8.876 1.00 0.00 C ATOM 372 CD PRO A 27 0.536 11.466 7.673 1.00 0.00 C ATOM 0 HA PRO A 27 -2.576 12.217 8.284 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.435 10.538 10.180 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.755 9.966 8.555 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.833 10.953 9.739 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.557 9.574 8.693 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.522 11.929 7.725 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.504 10.886 6.750 1.00 0.00 H new ATOM 380 N CYS A 28 -2.745 13.514 10.313 1.00 0.00 N ATOM 381 CA CYS A 28 -2.871 14.416 11.452 1.00 0.00 C ATOM 382 C CYS A 28 -2.166 13.846 12.678 1.00 0.00 C ATOM 383 O CYS A 28 -1.853 12.657 12.729 1.00 0.00 O ATOM 384 CB CYS A 28 -4.345 14.669 11.768 1.00 0.00 C ATOM 385 SG CYS A 28 -5.115 15.937 10.733 1.00 0.00 S ATOM 0 H CYS A 28 -3.631 13.265 9.873 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.396 15.361 11.189 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.896 13.736 11.651 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.436 14.964 12.813 1.00 0.00 H new ATOM 0 HG CYS A 28 -5.841 16.720 11.474 1.00 0.00 H new ATOM 391 N ALA A 29 -1.918 14.703 13.663 1.00 0.00 N ATOM 392 CA ALA A 29 -1.250 14.284 14.889 1.00 0.00 C ATOM 393 C ALA A 29 -2.066 13.227 15.626 1.00 0.00 C ATOM 394 O ALA A 29 -1.556 12.160 15.967 1.00 0.00 O ATOM 395 CB ALA A 29 -1.001 15.484 15.791 1.00 0.00 C ATOM 0 H ALA A 29 -2.170 15.691 13.636 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.292 13.842 14.618 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.502 15.156 16.703 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.371 16.205 15.271 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.952 15.951 16.046 1.00 0.00 H new ATOM 401 N TYR A 30 -3.336 13.532 15.870 1.00 0.00 N ATOM 402 CA TYR A 30 -4.223 12.609 16.569 1.00 0.00 C ATOM 403 C TYR A 30 -4.350 11.293 15.807 1.00 0.00 C ATOM 404 O TYR A 30 -4.402 10.219 16.406 1.00 0.00 O ATOM 405 CB TYR A 30 -5.604 13.239 16.756 1.00 0.00 C ATOM 406 CG TYR A 30 -6.186 13.810 15.483 1.00 0.00 C ATOM 407 CD1 TYR A 30 -5.876 15.100 15.071 1.00 0.00 C ATOM 408 CD2 TYR A 30 -7.046 13.058 14.691 1.00 0.00 C ATOM 409 CE1 TYR A 30 -6.407 15.626 13.909 1.00 0.00 C ATOM 410 CE2 TYR A 30 -7.580 13.576 13.527 1.00 0.00 C ATOM 411 CZ TYR A 30 -7.258 14.860 13.140 1.00 0.00 C ATOM 412 OH TYR A 30 -7.787 15.379 11.981 1.00 0.00 O ATOM 0 H TYR A 30 -3.774 14.411 15.594 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.791 12.401 17.548 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.286 12.487 17.152 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.535 14.031 17.501 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.208 15.702 15.669 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.301 12.052 14.991 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.157 16.632 13.604 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.246 12.978 12.923 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.111 15.351 11.272 1.00 0.00 H new ATOM 422 N ASP A 31 -4.399 11.386 14.483 1.00 0.00 N ATOM 423 CA ASP A 31 -4.519 10.204 13.638 1.00 0.00 C ATOM 424 C ASP A 31 -3.276 9.327 13.751 1.00 0.00 C ATOM 425 O ASP A 31 -2.165 9.762 13.446 1.00 0.00 O ATOM 426 CB ASP A 31 -4.738 10.613 12.180 1.00 0.00 C ATOM 427 CG ASP A 31 -6.200 10.853 11.859 1.00 0.00 C ATOM 428 OD1 ASP A 31 -7.056 10.146 12.432 1.00 0.00 O ATOM 429 OD2 ASP A 31 -6.489 11.746 11.035 1.00 0.00 O ATOM 0 H ASP A 31 -4.357 12.268 13.972 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.380 9.629 13.980 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.170 11.519 11.971 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.348 9.834 11.525 1.00 0.00 H new ATOM 434 N LYS A 32 -3.470 8.089 14.194 1.00 0.00 N ATOM 435 CA LYS A 32 -2.366 7.149 14.348 1.00 0.00 C ATOM 436 C LYS A 32 -2.436 6.050 13.293 1.00 0.00 C ATOM 437 O LYS A 32 -1.411 5.604 12.777 1.00 0.00 O ATOM 438 CB LYS A 32 -2.388 6.530 15.747 1.00 0.00 C ATOM 439 CG LYS A 32 -1.798 7.429 16.820 1.00 0.00 C ATOM 440 CD LYS A 32 -0.282 7.470 16.741 1.00 0.00 C ATOM 441 CE LYS A 32 0.285 8.651 17.514 1.00 0.00 C ATOM 442 NZ LYS A 32 0.255 9.905 16.711 1.00 0.00 N ATOM 0 H LYS A 32 -4.382 7.713 14.453 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.433 7.697 14.215 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.417 6.289 16.012 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.836 5.590 15.728 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.196 8.438 16.710 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.102 7.071 17.804 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.129 6.542 17.139 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.027 7.534 15.698 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.287 8.793 18.431 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.311 8.433 17.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.955 10.575 17.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.482 9.688 15.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.693 10.329 16.764 1.00 0.00 H new ATOM 456 N THR A 33 -3.652 5.617 12.975 1.00 0.00 N ATOM 457 CA THR A 33 -3.856 4.570 11.982 1.00 0.00 C ATOM 458 C THR A 33 -3.467 5.051 10.589 1.00 0.00 C ATOM 459 O THR A 33 -3.115 4.253 9.722 1.00 0.00 O ATOM 460 CB THR A 33 -5.321 4.095 11.959 1.00 0.00 C ATOM 461 OG1 THR A 33 -6.192 5.205 11.717 1.00 0.00 O ATOM 462 CG2 THR A 33 -5.694 3.427 13.274 1.00 0.00 C ATOM 0 H THR A 33 -4.511 5.976 13.391 1.00 0.00 H new ATOM 0 HA THR A 33 -3.216 3.735 12.267 1.00 0.00 H new ATOM 0 HB THR A 33 -5.431 3.366 11.156 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.121 4.894 11.702 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.733 3.100 13.234 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.048 2.565 13.440 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.568 4.137 14.091 1.00 0.00 H new ATOM 470 N ALA A 34 -3.533 6.362 10.381 1.00 0.00 N ATOM 471 CA ALA A 34 -3.186 6.950 9.093 1.00 0.00 C ATOM 472 C ALA A 34 -1.696 6.800 8.805 1.00 0.00 C ATOM 473 O ALA A 34 -0.864 7.477 9.411 1.00 0.00 O ATOM 474 CB ALA A 34 -3.587 8.417 9.057 1.00 0.00 C ATOM 0 H ALA A 34 -3.824 7.037 11.088 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.735 6.416 8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.322 8.843 8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.663 8.504 9.209 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.064 8.957 9.847 1.00 0.00 H new ATOM 480 N LEU A 35 -1.364 5.908 7.878 1.00 0.00 N ATOM 481 CA LEU A 35 0.027 5.668 7.510 1.00 0.00 C ATOM 482 C LEU A 35 0.623 6.885 6.811 1.00 0.00 C ATOM 483 O LEU A 35 -0.043 7.543 6.012 1.00 0.00 O ATOM 484 CB LEU A 35 0.131 4.442 6.602 1.00 0.00 C ATOM 485 CG LEU A 35 1.435 3.649 6.690 1.00 0.00 C ATOM 486 CD1 LEU A 35 1.345 2.379 5.858 1.00 0.00 C ATOM 487 CD2 LEU A 35 2.610 4.503 6.238 1.00 0.00 C ATOM 0 H LEU A 35 -2.039 5.339 7.367 1.00 0.00 H new ATOM 0 HA LEU A 35 0.592 5.484 8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.695 3.771 6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.004 4.767 5.570 1.00 0.00 H new ATOM 0 HG LEU A 35 1.596 3.366 7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.282 1.828 5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.529 1.759 6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.159 2.639 4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.530 3.922 6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.456 4.817 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.687 5.383 6.877 1.00 0.00 H new ATOM 499 N ALA A 36 1.883 7.178 7.115 1.00 0.00 N ATOM 500 CA ALA A 36 2.571 8.313 6.513 1.00 0.00 C ATOM 501 C ALA A 36 3.424 7.873 5.328 1.00 0.00 C ATOM 502 O ALA A 36 4.131 6.867 5.399 1.00 0.00 O ATOM 503 CB ALA A 36 3.429 9.022 7.550 1.00 0.00 C ATOM 0 H ALA A 36 2.448 6.644 7.775 1.00 0.00 H new ATOM 0 HA ALA A 36 1.817 9.009 6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.937 9.867 7.086 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.796 9.380 8.362 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.170 8.327 7.946 1.00 0.00 H new ATOM 509 N LEU A 37 3.353 8.631 4.239 1.00 0.00 N ATOM 510 CA LEU A 37 4.119 8.318 3.038 1.00 0.00 C ATOM 511 C LEU A 37 4.596 9.593 2.350 1.00 0.00 C ATOM 512 O LEU A 37 4.122 10.687 2.652 1.00 0.00 O ATOM 513 CB LEU A 37 3.272 7.489 2.071 1.00 0.00 C ATOM 514 CG LEU A 37 2.680 6.197 2.635 1.00 0.00 C ATOM 515 CD1 LEU A 37 1.398 5.833 1.902 1.00 0.00 C ATOM 516 CD2 LEU A 37 3.690 5.063 2.543 1.00 0.00 C ATOM 0 H LEU A 37 2.773 9.467 4.163 1.00 0.00 H new ATOM 0 HA LEU A 37 4.993 7.738 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.454 8.112 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.886 7.237 1.206 1.00 0.00 H new ATOM 0 HG LEU A 37 2.440 6.358 3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.991 4.911 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.671 6.636 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.612 5.691 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.252 4.151 2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.962 4.902 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.581 5.322 3.114 1.00 0.00 H new ATOM 528 N GLU A 38 5.536 9.441 1.422 1.00 0.00 N ATOM 529 CA GLU A 38 6.076 10.581 0.689 1.00 0.00 C ATOM 530 C GLU A 38 5.899 10.395 -0.815 1.00 0.00 C ATOM 531 O GLU A 38 5.527 9.317 -1.279 1.00 0.00 O ATOM 532 CB GLU A 38 7.558 10.772 1.020 1.00 0.00 C ATOM 533 CG GLU A 38 8.463 9.733 0.380 1.00 0.00 C ATOM 534 CD GLU A 38 8.660 8.511 1.255 1.00 0.00 C ATOM 535 OE1 GLU A 38 7.711 8.142 1.979 1.00 0.00 O ATOM 536 OE2 GLU A 38 9.761 7.925 1.218 1.00 0.00 O ATOM 0 H GLU A 38 5.939 8.541 1.160 1.00 0.00 H new ATOM 0 HA GLU A 38 5.525 11.471 0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.870 11.764 0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.687 10.738 2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.038 9.426 -0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.433 10.183 0.168 1.00 0.00 H new ATOM 543 N VAL A 39 6.168 11.454 -1.572 1.00 0.00 N ATOM 544 CA VAL A 39 6.039 11.408 -3.024 1.00 0.00 C ATOM 545 C VAL A 39 7.136 10.551 -3.646 1.00 0.00 C ATOM 546 O VAL A 39 8.310 10.917 -3.628 1.00 0.00 O ATOM 547 CB VAL A 39 6.097 12.820 -3.637 1.00 0.00 C ATOM 548 CG1 VAL A 39 5.954 12.751 -5.149 1.00 0.00 C ATOM 549 CG2 VAL A 39 5.020 13.708 -3.031 1.00 0.00 C ATOM 0 H VAL A 39 6.476 12.354 -1.204 1.00 0.00 H new ATOM 0 HA VAL A 39 5.067 10.964 -3.242 1.00 0.00 H new ATOM 0 HB VAL A 39 7.068 13.258 -3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.997 13.758 -5.565 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.764 12.152 -5.564 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.998 12.294 -5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.075 14.702 -3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.039 13.276 -3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.173 13.783 -1.954 1.00 0.00 H new ATOM 559 N GLY A 40 6.744 9.406 -4.196 1.00 0.00 N ATOM 560 CA GLY A 40 7.705 8.513 -4.817 1.00 0.00 C ATOM 561 C GLY A 40 7.983 7.284 -3.975 1.00 0.00 C ATOM 562 O GLY A 40 9.015 6.633 -4.137 1.00 0.00 O ATOM 0 H GLY A 40 5.778 9.081 -4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.331 8.204 -5.793 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.638 9.051 -4.989 1.00 0.00 H new ATOM 566 N ASP A 41 7.062 6.967 -3.072 1.00 0.00 N ATOM 567 CA ASP A 41 7.212 5.807 -2.201 1.00 0.00 C ATOM 568 C ASP A 41 6.231 4.705 -2.587 1.00 0.00 C ATOM 569 O ASP A 41 5.078 4.978 -2.924 1.00 0.00 O ATOM 570 CB ASP A 41 6.998 6.209 -0.740 1.00 0.00 C ATOM 571 CG ASP A 41 7.784 5.339 0.221 1.00 0.00 C ATOM 572 OD1 ASP A 41 8.525 4.453 -0.252 1.00 0.00 O ATOM 573 OD2 ASP A 41 7.657 5.544 1.446 1.00 0.00 O ATOM 0 H ASP A 41 6.203 7.497 -2.924 1.00 0.00 H new ATOM 0 HA ASP A 41 8.225 5.423 -2.320 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.291 7.250 -0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.937 6.144 -0.500 1.00 0.00 H new ATOM 578 N ILE A 42 6.696 3.462 -2.538 1.00 0.00 N ATOM 579 CA ILE A 42 5.860 2.319 -2.883 1.00 0.00 C ATOM 580 C ILE A 42 5.198 1.728 -1.643 1.00 0.00 C ATOM 581 O ILE A 42 5.876 1.273 -0.721 1.00 0.00 O ATOM 582 CB ILE A 42 6.673 1.219 -3.591 1.00 0.00 C ATOM 583 CG1 ILE A 42 7.029 1.654 -5.014 1.00 0.00 C ATOM 584 CG2 ILE A 42 5.893 -0.087 -3.610 1.00 0.00 C ATOM 585 CD1 ILE A 42 7.574 3.063 -5.097 1.00 0.00 C ATOM 0 H ILE A 42 7.648 3.220 -2.263 1.00 0.00 H new ATOM 0 HA ILE A 42 5.091 2.685 -3.563 1.00 0.00 H new ATOM 0 HB ILE A 42 7.598 1.059 -3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.767 0.963 -5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.141 1.579 -5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.481 -0.854 -4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.685 -0.402 -2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.953 0.058 -4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.805 3.303 -6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.830 3.764 -4.719 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.481 3.138 -4.497 1.00 0.00 H new ATOM 597 N VAL A 43 3.869 1.735 -1.628 1.00 0.00 N ATOM 598 CA VAL A 43 3.114 1.197 -0.502 1.00 0.00 C ATOM 599 C VAL A 43 2.814 -0.285 -0.700 1.00 0.00 C ATOM 600 O VAL A 43 2.011 -0.658 -1.556 1.00 0.00 O ATOM 601 CB VAL A 43 1.789 1.956 -0.301 1.00 0.00 C ATOM 602 CG1 VAL A 43 1.110 1.513 0.987 1.00 0.00 C ATOM 603 CG2 VAL A 43 2.030 3.458 -0.297 1.00 0.00 C ATOM 0 H VAL A 43 3.293 2.107 -2.383 1.00 0.00 H new ATOM 0 HA VAL A 43 3.734 1.324 0.385 1.00 0.00 H new ATOM 0 HB VAL A 43 1.126 1.720 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.175 2.060 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.901 0.444 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.766 1.717 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.083 3.978 -0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.711 3.715 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.469 3.759 -1.248 1.00 0.00 H new ATOM 613 N LYS A 44 3.464 -1.126 0.097 1.00 0.00 N ATOM 614 CA LYS A 44 3.266 -2.568 0.012 1.00 0.00 C ATOM 615 C LYS A 44 2.081 -3.006 0.866 1.00 0.00 C ATOM 616 O LYS A 44 2.155 -3.008 2.094 1.00 0.00 O ATOM 617 CB LYS A 44 4.531 -3.304 0.460 1.00 0.00 C ATOM 618 CG LYS A 44 4.452 -4.811 0.287 1.00 0.00 C ATOM 619 CD LYS A 44 5.419 -5.530 1.212 1.00 0.00 C ATOM 620 CE LYS A 44 5.232 -7.038 1.151 1.00 0.00 C ATOM 621 NZ LYS A 44 6.077 -7.660 0.094 1.00 0.00 N ATOM 0 H LYS A 44 4.133 -0.834 0.809 1.00 0.00 H new ATOM 0 HA LYS A 44 3.055 -2.820 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.381 -2.926 -0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.721 -3.077 1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.435 -5.148 0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.675 -5.072 -0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.443 -5.278 0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.270 -5.185 2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.481 -7.474 2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.184 -7.266 0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.921 -8.688 0.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.822 -7.263 -0.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.079 -7.464 0.291 1.00 0.00 H new ATOM 635 N VAL A 45 0.988 -3.379 0.207 1.00 0.00 N ATOM 636 CA VAL A 45 -0.212 -3.821 0.905 1.00 0.00 C ATOM 637 C VAL A 45 -0.418 -5.324 0.747 1.00 0.00 C ATOM 638 O VAL A 45 -0.369 -5.856 -0.362 1.00 0.00 O ATOM 639 CB VAL A 45 -1.465 -3.086 0.391 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.465 -3.032 -1.129 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.727 -3.758 0.910 1.00 0.00 C ATOM 0 H VAL A 45 0.910 -3.384 -0.810 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.069 -3.585 1.959 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.446 -2.063 0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.357 -2.509 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.577 -2.502 -1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.461 -4.046 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.602 -3.226 0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.757 -4.792 0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.728 -3.739 2.000 1.00 0.00 H new ATOM 651 N THR A 46 -0.649 -6.005 1.865 1.00 0.00 N ATOM 652 CA THR A 46 -0.861 -7.447 1.852 1.00 0.00 C ATOM 653 C THR A 46 -2.325 -7.789 2.103 1.00 0.00 C ATOM 654 O THR A 46 -2.767 -8.905 1.828 1.00 0.00 O ATOM 655 CB THR A 46 0.008 -8.152 2.910 1.00 0.00 C ATOM 656 OG1 THR A 46 -0.382 -7.734 4.223 1.00 0.00 O ATOM 657 CG2 THR A 46 1.482 -7.846 2.691 1.00 0.00 C ATOM 0 H THR A 46 -0.694 -5.581 2.791 1.00 0.00 H new ATOM 0 HA THR A 46 -0.573 -7.800 0.862 1.00 0.00 H new ATOM 0 HB THR A 46 -0.142 -9.227 2.813 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.174 -8.188 4.890 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.076 -8.355 3.450 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.783 -8.193 1.702 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.645 -6.771 2.763 1.00 0.00 H new ATOM 665 N ARG A 47 -3.073 -6.823 2.625 1.00 0.00 N ATOM 666 CA ARG A 47 -4.488 -7.023 2.914 1.00 0.00 C ATOM 667 C ARG A 47 -5.317 -5.846 2.409 1.00 0.00 C ATOM 668 O ARG A 47 -5.740 -4.993 3.189 1.00 0.00 O ATOM 669 CB ARG A 47 -4.703 -7.206 4.417 1.00 0.00 C ATOM 670 CG ARG A 47 -6.147 -7.491 4.795 1.00 0.00 C ATOM 671 CD ARG A 47 -6.242 -8.203 6.136 1.00 0.00 C ATOM 672 NE ARG A 47 -5.697 -9.556 6.077 1.00 0.00 N ATOM 673 CZ ARG A 47 -5.981 -10.502 6.965 1.00 0.00 C ATOM 674 NH1 ARG A 47 -6.800 -10.244 7.975 1.00 0.00 N ATOM 675 NH2 ARG A 47 -5.446 -11.710 6.843 1.00 0.00 N ATOM 0 H ARG A 47 -2.723 -5.893 2.857 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.815 -7.924 2.396 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.076 -8.025 4.768 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.371 -6.306 4.935 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.704 -6.555 4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.612 -8.104 4.023 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.705 -7.628 6.890 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.285 -8.246 6.451 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.063 -9.788 5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.214 -9.317 8.072 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.016 -10.973 8.655 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.816 -11.913 6.067 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.665 -12.436 7.525 1.00 0.00 H new ATOM 689 N MET A 48 -5.545 -5.807 1.101 1.00 0.00 N ATOM 690 CA MET A 48 -6.324 -4.734 0.493 1.00 0.00 C ATOM 691 C MET A 48 -7.810 -4.902 0.797 1.00 0.00 C ATOM 692 O MET A 48 -8.463 -5.802 0.271 1.00 0.00 O ATOM 693 CB MET A 48 -6.102 -4.708 -1.021 1.00 0.00 C ATOM 694 CG MET A 48 -6.245 -3.323 -1.632 1.00 0.00 C ATOM 695 SD MET A 48 -6.283 -3.360 -3.434 1.00 0.00 S ATOM 696 CE MET A 48 -4.843 -2.369 -3.823 1.00 0.00 C ATOM 0 H MET A 48 -5.202 -6.505 0.441 1.00 0.00 H new ATOM 0 HA MET A 48 -5.988 -3.789 0.919 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.106 -5.092 -1.241 1.00 0.00 H new ATOM 0 HB3 MET A 48 -6.815 -5.381 -1.496 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.160 -2.860 -1.263 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.415 -2.697 -1.303 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.109 -1.615 -4.564 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.484 -1.878 -2.918 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.058 -3.010 -4.224 1.00 0.00 H new ATOM 706 N ASN A 49 -8.337 -4.029 1.650 1.00 0.00 N ATOM 707 CA ASN A 49 -9.745 -4.082 2.025 1.00 0.00 C ATOM 708 C ASN A 49 -10.635 -3.676 0.854 1.00 0.00 C ATOM 709 O ASN A 49 -10.147 -3.222 -0.181 1.00 0.00 O ATOM 710 CB ASN A 49 -10.010 -3.167 3.222 1.00 0.00 C ATOM 711 CG ASN A 49 -8.862 -3.164 4.213 1.00 0.00 C ATOM 712 OD1 ASN A 49 -7.914 -3.938 4.084 1.00 0.00 O ATOM 713 ND2 ASN A 49 -8.942 -2.289 5.209 1.00 0.00 N ATOM 0 H ASN A 49 -7.810 -3.277 2.094 1.00 0.00 H new ATOM 0 HA ASN A 49 -9.984 -5.109 2.301 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.183 -2.151 2.868 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.921 -3.488 3.727 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.199 -2.240 5.906 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.747 -1.666 5.277 1.00 0.00 H new ATOM 720 N ILE A 50 -11.942 -3.843 1.026 1.00 0.00 N ATOM 721 CA ILE A 50 -12.900 -3.493 -0.015 1.00 0.00 C ATOM 722 C ILE A 50 -13.458 -2.091 0.200 1.00 0.00 C ATOM 723 O ILE A 50 -13.644 -1.333 -0.751 1.00 0.00 O ATOM 724 CB ILE A 50 -14.068 -4.496 -0.067 1.00 0.00 C ATOM 725 CG1 ILE A 50 -13.544 -5.909 -0.333 1.00 0.00 C ATOM 726 CG2 ILE A 50 -15.071 -4.087 -1.135 1.00 0.00 C ATOM 727 CD1 ILE A 50 -14.508 -6.998 0.082 1.00 0.00 C ATOM 0 H ILE A 50 -12.362 -4.219 1.876 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.362 -3.526 -0.962 1.00 0.00 H new ATOM 0 HB ILE A 50 -14.574 -4.492 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -13.326 -6.013 -1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -12.603 -6.045 0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -15.890 -4.806 -1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -15.464 -3.097 -0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -14.579 -4.065 -2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -14.071 -7.973 -0.136 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.707 -6.920 1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -15.441 -6.887 -0.470 1.00 0.00 H new ATOM 739 N ASN A 51 -13.722 -1.752 1.458 1.00 0.00 N ATOM 740 CA ASN A 51 -14.258 -0.439 1.799 1.00 0.00 C ATOM 741 C ASN A 51 -13.465 0.668 1.111 1.00 0.00 C ATOM 742 O ASN A 51 -14.036 1.543 0.461 1.00 0.00 O ATOM 743 CB ASN A 51 -14.233 -0.233 3.315 1.00 0.00 C ATOM 744 CG ASN A 51 -12.886 0.255 3.810 1.00 0.00 C ATOM 745 OD1 ASN A 51 -12.578 1.445 3.735 1.00 0.00 O ATOM 746 ND2 ASN A 51 -12.074 -0.664 4.319 1.00 0.00 N ATOM 0 H ASN A 51 -13.574 -2.368 2.257 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.289 -0.393 1.450 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -15.002 0.487 3.594 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.481 -1.172 3.811 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.154 -0.395 4.667 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.370 -1.639 4.362 1.00 0.00 H new ATOM 753 N GLY A 52 -12.145 0.623 1.259 1.00 0.00 N ATOM 754 CA GLY A 52 -11.295 1.626 0.647 1.00 0.00 C ATOM 755 C GLY A 52 -9.912 1.672 1.267 1.00 0.00 C ATOM 756 O GLY A 52 -8.907 1.686 0.556 1.00 0.00 O ATOM 0 H GLY A 52 -11.649 -0.091 1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.205 1.419 -0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.766 2.604 0.744 1.00 0.00 H new ATOM 760 N GLN A 53 -9.861 1.697 2.594 1.00 0.00 N ATOM 761 CA GLN A 53 -8.591 1.744 3.309 1.00 0.00 C ATOM 762 C GLN A 53 -7.855 0.412 3.200 1.00 0.00 C ATOM 763 O GLN A 53 -8.437 -0.649 3.422 1.00 0.00 O ATOM 764 CB GLN A 53 -8.822 2.093 4.780 1.00 0.00 C ATOM 765 CG GLN A 53 -8.864 3.588 5.051 1.00 0.00 C ATOM 766 CD GLN A 53 -9.738 3.942 6.238 1.00 0.00 C ATOM 767 OE1 GLN A 53 -10.951 3.726 6.216 1.00 0.00 O ATOM 768 NE2 GLN A 53 -9.127 4.489 7.282 1.00 0.00 N ATOM 0 H GLN A 53 -10.684 1.686 3.196 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.974 2.518 2.852 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.761 1.646 5.108 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.029 1.646 5.380 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.851 3.949 5.230 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.235 4.104 4.165 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.120 4.650 7.257 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.664 4.748 8.109 1.00 0.00 H new ATOM 777 N TRP A 54 -6.574 0.477 2.855 1.00 0.00 N ATOM 778 CA TRP A 54 -5.759 -0.725 2.716 1.00 0.00 C ATOM 779 C TRP A 54 -4.700 -0.794 3.811 1.00 0.00 C ATOM 780 O TRP A 54 -4.309 0.228 4.373 1.00 0.00 O ATOM 781 CB TRP A 54 -5.091 -0.756 1.341 1.00 0.00 C ATOM 782 CG TRP A 54 -6.035 -0.458 0.215 1.00 0.00 C ATOM 783 CD1 TRP A 54 -7.397 -0.556 0.239 1.00 0.00 C ATOM 784 CD2 TRP A 54 -5.686 -0.015 -1.101 1.00 0.00 C ATOM 785 NE1 TRP A 54 -7.916 -0.201 -0.982 1.00 0.00 N ATOM 786 CE2 TRP A 54 -6.887 0.136 -1.822 1.00 0.00 C ATOM 787 CE3 TRP A 54 -4.477 0.271 -1.740 1.00 0.00 C ATOM 788 CZ2 TRP A 54 -6.911 0.558 -3.148 1.00 0.00 C ATOM 789 CZ3 TRP A 54 -4.502 0.690 -3.057 1.00 0.00 C ATOM 790 CH2 TRP A 54 -5.712 0.831 -3.749 1.00 0.00 C ATOM 0 H TRP A 54 -6.078 1.348 2.667 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.413 -1.591 2.814 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.277 -0.032 1.324 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.647 -1.739 1.183 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.980 -0.867 1.093 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -8.907 -0.190 -1.224 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.539 0.167 -1.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.843 0.666 -3.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.573 0.912 -3.561 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -5.698 1.162 -4.777 1.00 0.00 H new ATOM 801 N GLU A 55 -4.241 -2.006 4.108 1.00 0.00 N ATOM 802 CA GLU A 55 -3.227 -2.206 5.137 1.00 0.00 C ATOM 803 C GLU A 55 -1.862 -2.476 4.510 1.00 0.00 C ATOM 804 O GLU A 55 -1.627 -3.541 3.941 1.00 0.00 O ATOM 805 CB GLU A 55 -3.619 -3.369 6.051 1.00 0.00 C ATOM 806 CG GLU A 55 -2.972 -3.309 7.424 1.00 0.00 C ATOM 807 CD GLU A 55 -2.815 -4.678 8.056 1.00 0.00 C ATOM 808 OE1 GLU A 55 -3.822 -5.218 8.561 1.00 0.00 O ATOM 809 OE2 GLU A 55 -1.685 -5.210 8.044 1.00 0.00 O ATOM 0 H GLU A 55 -4.555 -2.863 3.652 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.162 -1.293 5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.703 -3.378 6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.343 -4.307 5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.993 -2.838 7.340 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.574 -2.678 8.078 1.00 0.00 H new ATOM 816 N GLY A 56 -0.964 -1.501 4.619 1.00 0.00 N ATOM 817 CA GLY A 56 0.366 -1.651 4.058 1.00 0.00 C ATOM 818 C GLY A 56 1.456 -1.278 5.043 1.00 0.00 C ATOM 819 O GLY A 56 1.188 -0.645 6.064 1.00 0.00 O ATOM 0 H GLY A 56 -1.134 -0.610 5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.508 -2.683 3.738 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.455 -1.026 3.169 1.00 0.00 H new ATOM 823 N GLU A 57 2.688 -1.672 4.738 1.00 0.00 N ATOM 824 CA GLU A 57 3.821 -1.377 5.606 1.00 0.00 C ATOM 825 C GLU A 57 4.863 -0.534 4.875 1.00 0.00 C ATOM 826 O GLU A 57 5.394 -0.943 3.842 1.00 0.00 O ATOM 827 CB GLU A 57 4.460 -2.674 6.108 1.00 0.00 C ATOM 828 CG GLU A 57 5.536 -2.456 7.158 1.00 0.00 C ATOM 829 CD GLU A 57 6.912 -2.264 6.552 1.00 0.00 C ATOM 830 OE1 GLU A 57 7.140 -2.756 5.428 1.00 0.00 O ATOM 831 OE2 GLU A 57 7.762 -1.620 7.203 1.00 0.00 O ATOM 0 H GLU A 57 2.927 -2.196 3.896 1.00 0.00 H new ATOM 0 HA GLU A 57 3.452 -0.808 6.459 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.683 -3.315 6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.893 -3.207 5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.282 -1.582 7.757 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.557 -3.311 7.834 1.00 0.00 H new ATOM 838 N VAL A 58 5.149 0.645 5.418 1.00 0.00 N ATOM 839 CA VAL A 58 6.127 1.545 4.818 1.00 0.00 C ATOM 840 C VAL A 58 6.845 2.365 5.884 1.00 0.00 C ATOM 841 O VAL A 58 6.212 2.969 6.748 1.00 0.00 O ATOM 842 CB VAL A 58 5.464 2.503 3.811 1.00 0.00 C ATOM 843 CG1 VAL A 58 6.502 3.419 3.182 1.00 0.00 C ATOM 844 CG2 VAL A 58 4.717 1.718 2.743 1.00 0.00 C ATOM 0 H VAL A 58 4.718 0.999 6.272 1.00 0.00 H new ATOM 0 HA VAL A 58 6.851 0.922 4.293 1.00 0.00 H new ATOM 0 HB VAL A 58 4.744 3.123 4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.015 4.089 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.988 4.006 3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.248 2.819 2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.254 2.410 2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.415 1.072 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.945 1.108 3.213 1.00 0.00 H new ATOM 854 N ASN A 59 8.172 2.380 5.816 1.00 0.00 N ATOM 855 CA ASN A 59 8.978 3.126 6.776 1.00 0.00 C ATOM 856 C ASN A 59 8.794 2.574 8.187 1.00 0.00 C ATOM 857 O ASN A 59 8.516 3.319 9.125 1.00 0.00 O ATOM 858 CB ASN A 59 8.604 4.609 6.744 1.00 0.00 C ATOM 859 CG ASN A 59 8.674 5.193 5.347 1.00 0.00 C ATOM 860 OD1 ASN A 59 9.456 4.740 4.511 1.00 0.00 O ATOM 861 ND2 ASN A 59 7.854 6.205 5.087 1.00 0.00 N ATOM 0 H ASN A 59 8.712 1.884 5.107 1.00 0.00 H new ATOM 0 HA ASN A 59 10.026 3.016 6.496 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.595 4.735 7.137 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.274 5.164 7.401 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.856 6.639 4.164 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.222 6.548 5.810 1.00 0.00 H new ATOM 868 N GLY A 60 8.952 1.261 8.328 1.00 0.00 N ATOM 869 CA GLY A 60 8.800 0.631 9.626 1.00 0.00 C ATOM 870 C GLY A 60 7.512 1.031 10.317 1.00 0.00 C ATOM 871 O GLY A 60 7.488 1.234 11.531 1.00 0.00 O ATOM 0 H GLY A 60 9.183 0.623 7.566 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.823 -0.452 9.506 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.646 0.899 10.258 1.00 0.00 H new ATOM 875 N ARG A 61 6.438 1.146 9.543 1.00 0.00 N ATOM 876 CA ARG A 61 5.140 1.527 10.087 1.00 0.00 C ATOM 877 C ARG A 61 4.006 0.931 9.258 1.00 0.00 C ATOM 878 O ARG A 61 4.103 0.833 8.034 1.00 0.00 O ATOM 879 CB ARG A 61 5.009 3.050 10.131 1.00 0.00 C ATOM 880 CG ARG A 61 3.675 3.531 10.679 1.00 0.00 C ATOM 881 CD ARG A 61 3.470 5.016 10.420 1.00 0.00 C ATOM 882 NE ARG A 61 4.140 5.843 11.419 1.00 0.00 N ATOM 883 CZ ARG A 61 3.620 6.128 12.608 1.00 0.00 C ATOM 884 NH1 ARG A 61 2.429 5.652 12.944 1.00 0.00 N ATOM 885 NH2 ARG A 61 4.291 6.888 13.463 1.00 0.00 N ATOM 0 H ARG A 61 6.441 0.981 8.536 1.00 0.00 H new ATOM 0 HA ARG A 61 5.070 1.134 11.101 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.812 3.458 10.744 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.143 3.447 9.125 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.866 2.965 10.218 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.629 3.338 11.751 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.848 5.267 9.429 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.403 5.240 10.420 1.00 0.00 H new ATOM 0 HE ARG A 61 5.059 6.223 11.192 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.911 5.066 12.289 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.031 5.872 13.857 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.208 7.255 13.208 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.890 7.106 14.375 1.00 0.00 H new ATOM 899 N LYS A 62 2.932 0.535 9.932 1.00 0.00 N ATOM 900 CA LYS A 62 1.779 -0.051 9.259 1.00 0.00 C ATOM 901 C LYS A 62 0.506 0.723 9.588 1.00 0.00 C ATOM 902 O LYS A 62 0.100 0.804 10.747 1.00 0.00 O ATOM 903 CB LYS A 62 1.616 -1.517 9.663 1.00 0.00 C ATOM 904 CG LYS A 62 2.827 -2.375 9.341 1.00 0.00 C ATOM 905 CD LYS A 62 3.847 -2.347 10.467 1.00 0.00 C ATOM 906 CE LYS A 62 3.522 -3.375 11.540 1.00 0.00 C ATOM 907 NZ LYS A 62 2.467 -2.889 12.472 1.00 0.00 N ATOM 0 H LYS A 62 2.836 0.609 10.945 1.00 0.00 H new ATOM 0 HA LYS A 62 1.950 0.005 8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.418 -1.570 10.734 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.744 -1.930 9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.509 -3.402 9.163 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.291 -2.021 8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.841 -2.542 10.064 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.873 -1.352 10.911 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.192 -4.300 11.068 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.425 -3.609 12.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.612 -3.312 13.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.520 -1.853 12.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.531 -3.162 12.110 1.00 0.00 H new ATOM 921 N GLY A 63 -0.121 1.288 8.561 1.00 0.00 N ATOM 922 CA GLY A 63 -1.342 2.046 8.763 1.00 0.00 C ATOM 923 C GLY A 63 -2.223 2.065 7.530 1.00 0.00 C ATOM 924 O GLY A 63 -1.812 1.623 6.457 1.00 0.00 O ATOM 0 H GLY A 63 0.195 1.234 7.593 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.898 1.618 9.597 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.089 3.069 9.041 1.00 0.00 H new ATOM 928 N LEU A 64 -3.440 2.576 7.683 1.00 0.00 N ATOM 929 CA LEU A 64 -4.384 2.649 6.573 1.00 0.00 C ATOM 930 C LEU A 64 -4.140 3.898 5.732 1.00 0.00 C ATOM 931 O LEU A 64 -4.082 5.010 6.257 1.00 0.00 O ATOM 932 CB LEU A 64 -5.821 2.645 7.098 1.00 0.00 C ATOM 933 CG LEU A 64 -6.195 1.486 8.022 1.00 0.00 C ATOM 934 CD1 LEU A 64 -7.597 1.678 8.579 1.00 0.00 C ATOM 935 CD2 LEU A 64 -6.089 0.160 7.284 1.00 0.00 C ATOM 0 H LEU A 64 -3.796 2.946 8.564 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.233 1.774 5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.994 3.579 7.632 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.498 2.636 6.244 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.494 1.471 8.857 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.846 0.843 9.234 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.639 2.609 9.145 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.312 1.720 7.758 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.359 -0.654 7.957 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.766 0.164 6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.066 0.018 6.935 1.00 0.00 H new ATOM 947 N PHE A 65 -4.002 3.707 4.424 1.00 0.00 N ATOM 948 CA PHE A 65 -3.766 4.819 3.510 1.00 0.00 C ATOM 949 C PHE A 65 -4.847 4.877 2.435 1.00 0.00 C ATOM 950 O PHE A 65 -5.342 3.854 1.961 1.00 0.00 O ATOM 951 CB PHE A 65 -2.388 4.687 2.858 1.00 0.00 C ATOM 952 CG PHE A 65 -2.217 3.420 2.069 1.00 0.00 C ATOM 953 CD1 PHE A 65 -1.940 2.222 2.708 1.00 0.00 C ATOM 954 CD2 PHE A 65 -2.332 3.428 0.688 1.00 0.00 C ATOM 955 CE1 PHE A 65 -1.782 1.055 1.985 1.00 0.00 C ATOM 956 CE2 PHE A 65 -2.176 2.263 -0.040 1.00 0.00 C ATOM 957 CZ PHE A 65 -1.899 1.076 0.609 1.00 0.00 C ATOM 0 H PHE A 65 -4.049 2.793 3.973 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.800 5.744 4.085 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.223 5.540 2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.623 4.729 3.633 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.846 2.200 3.784 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.546 4.354 0.175 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.567 0.128 2.495 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.271 2.281 -1.116 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.774 0.166 0.042 1.00 0.00 H new ATOM 967 N PRO A 66 -5.222 6.102 2.040 1.00 0.00 N ATOM 968 CA PRO A 66 -6.248 6.325 1.016 1.00 0.00 C ATOM 969 C PRO A 66 -5.777 5.914 -0.375 1.00 0.00 C ATOM 970 O PRO A 66 -4.639 6.181 -0.760 1.00 0.00 O ATOM 971 CB PRO A 66 -6.486 7.836 1.076 1.00 0.00 C ATOM 972 CG PRO A 66 -5.216 8.399 1.613 1.00 0.00 C ATOM 973 CD PRO A 66 -4.674 7.366 2.562 1.00 0.00 C ATOM 0 HA PRO A 66 -7.144 5.731 1.199 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.712 8.240 0.089 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.330 8.078 1.721 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.508 8.600 0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.394 9.344 2.125 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.584 7.359 2.569 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.998 7.552 3.586 1.00 0.00 H new ATOM 981 N PHE A 67 -6.660 5.263 -1.125 1.00 0.00 N ATOM 982 CA PHE A 67 -6.335 4.815 -2.474 1.00 0.00 C ATOM 983 C PHE A 67 -6.417 5.972 -3.466 1.00 0.00 C ATOM 984 O PHE A 67 -5.969 5.859 -4.607 1.00 0.00 O ATOM 985 CB PHE A 67 -7.281 3.692 -2.903 1.00 0.00 C ATOM 986 CG PHE A 67 -8.734 4.057 -2.793 1.00 0.00 C ATOM 987 CD1 PHE A 67 -9.414 3.896 -1.597 1.00 0.00 C ATOM 988 CD2 PHE A 67 -9.419 4.561 -3.887 1.00 0.00 C ATOM 989 CE1 PHE A 67 -10.751 4.231 -1.492 1.00 0.00 C ATOM 990 CE2 PHE A 67 -10.756 4.899 -3.788 1.00 0.00 C ATOM 991 CZ PHE A 67 -11.423 4.732 -2.590 1.00 0.00 C ATOM 0 H PHE A 67 -7.606 5.034 -0.821 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.313 4.437 -2.468 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.061 3.417 -3.934 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.088 2.812 -2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -8.893 3.504 -0.736 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -8.903 4.691 -4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.269 4.101 -0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -11.279 5.293 -4.647 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.468 4.993 -2.512 1.00 0.00 H new ATOM 1001 N THR A 68 -6.994 7.084 -3.022 1.00 0.00 N ATOM 1002 CA THR A 68 -7.137 8.261 -3.870 1.00 0.00 C ATOM 1003 C THR A 68 -5.876 9.116 -3.841 1.00 0.00 C ATOM 1004 O THR A 68 -5.809 10.164 -4.485 1.00 0.00 O ATOM 1005 CB THR A 68 -8.338 9.123 -3.436 1.00 0.00 C ATOM 1006 OG1 THR A 68 -8.277 9.375 -2.028 1.00 0.00 O ATOM 1007 CG2 THR A 68 -9.650 8.433 -3.777 1.00 0.00 C ATOM 0 H THR A 68 -7.370 7.194 -2.080 1.00 0.00 H new ATOM 0 HA THR A 68 -7.305 7.901 -4.885 1.00 0.00 H new ATOM 0 HB THR A 68 -8.292 10.069 -3.976 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.043 9.925 -1.761 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.484 9.060 -3.461 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.706 8.269 -4.853 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.702 7.474 -3.261 1.00 0.00 H new ATOM 1015 N HIS A 69 -4.876 8.663 -3.091 1.00 0.00 N ATOM 1016 CA HIS A 69 -3.615 9.387 -2.980 1.00 0.00 C ATOM 1017 C HIS A 69 -2.499 8.652 -3.717 1.00 0.00 C ATOM 1018 O HIS A 69 -1.585 9.274 -4.260 1.00 0.00 O ATOM 1019 CB HIS A 69 -3.235 9.570 -1.510 1.00 0.00 C ATOM 1020 CG HIS A 69 -4.082 10.577 -0.794 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -3.555 11.653 -0.111 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -5.425 10.669 -0.659 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -4.538 12.362 0.415 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -5.684 11.786 0.097 1.00 0.00 N ATOM 0 H HIS A 69 -4.915 7.798 -2.551 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.746 10.367 -3.439 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.316 8.610 -1.000 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.191 9.876 -1.448 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.158 9.990 -1.070 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.424 13.260 1.005 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.610 12.117 0.369 1.00 0.00 H new ATOM 1033 N VAL A 70 -2.581 7.326 -3.733 1.00 0.00 N ATOM 1034 CA VAL A 70 -1.579 6.506 -4.404 1.00 0.00 C ATOM 1035 C VAL A 70 -2.133 5.903 -5.690 1.00 0.00 C ATOM 1036 O VAL A 70 -3.347 5.780 -5.858 1.00 0.00 O ATOM 1037 CB VAL A 70 -1.079 5.371 -3.491 1.00 0.00 C ATOM 1038 CG1 VAL A 70 -0.446 5.939 -2.230 1.00 0.00 C ATOM 1039 CG2 VAL A 70 -2.219 4.425 -3.145 1.00 0.00 C ATOM 0 H VAL A 70 -3.331 6.796 -3.289 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.743 7.163 -4.645 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.317 4.805 -4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.099 5.122 -1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.399 6.573 -2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.184 6.530 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.848 3.629 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.004 4.976 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.623 3.991 -4.060 1.00 0.00 H new ATOM 1049 N LYS A 71 -1.237 5.527 -6.595 1.00 0.00 N ATOM 1050 CA LYS A 71 -1.635 4.934 -7.867 1.00 0.00 C ATOM 1051 C LYS A 71 -1.069 3.525 -8.011 1.00 0.00 C ATOM 1052 O LYS A 71 0.121 3.299 -7.788 1.00 0.00 O ATOM 1053 CB LYS A 71 -1.160 5.808 -9.031 1.00 0.00 C ATOM 1054 CG LYS A 71 -1.970 5.619 -10.302 1.00 0.00 C ATOM 1055 CD LYS A 71 -1.462 6.508 -11.424 1.00 0.00 C ATOM 1056 CE LYS A 71 -2.030 7.915 -11.321 1.00 0.00 C ATOM 1057 NZ LYS A 71 -1.793 8.701 -12.564 1.00 0.00 N ATOM 0 H LYS A 71 -0.229 5.622 -6.472 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.723 4.873 -7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.208 6.855 -8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.114 5.584 -9.240 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.922 4.575 -10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.018 5.845 -10.104 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.373 6.551 -11.391 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.735 6.074 -12.386 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.101 7.861 -11.124 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.576 8.429 -10.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.195 9.654 -12.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.770 8.774 -12.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.248 8.224 -13.368 1.00 0.00 H new ATOM 1071 N ILE A 72 -1.927 2.583 -8.386 1.00 0.00 N ATOM 1072 CA ILE A 72 -1.511 1.197 -8.562 1.00 0.00 C ATOM 1073 C ILE A 72 -0.782 1.007 -9.888 1.00 0.00 C ATOM 1074 O ILE A 72 -1.369 1.162 -10.959 1.00 0.00 O ATOM 1075 CB ILE A 72 -2.714 0.237 -8.508 1.00 0.00 C ATOM 1076 CG1 ILE A 72 -3.319 0.223 -7.102 1.00 0.00 C ATOM 1077 CG2 ILE A 72 -2.292 -1.164 -8.923 1.00 0.00 C ATOM 1078 CD1 ILE A 72 -2.388 -0.336 -6.049 1.00 0.00 C ATOM 0 H ILE A 72 -2.915 2.754 -8.574 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.834 0.964 -7.741 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.473 0.588 -9.207 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.599 1.240 -6.825 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.235 -0.367 -7.115 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.153 -1.831 -8.880 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.902 -1.140 -9.941 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.518 -1.526 -8.246 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.883 -0.315 -5.078 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.128 -1.364 -6.302 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.481 0.268 -6.007 1.00 0.00 H new ATOM 1090 N PHE A 73 0.500 0.667 -9.809 1.00 0.00 N ATOM 1091 CA PHE A 73 1.310 0.453 -11.003 1.00 0.00 C ATOM 1092 C PHE A 73 1.834 -0.979 -11.056 1.00 0.00 C ATOM 1093 O PHE A 73 1.849 -1.683 -10.046 1.00 0.00 O ATOM 1094 CB PHE A 73 2.480 1.438 -11.034 1.00 0.00 C ATOM 1095 CG PHE A 73 3.653 1.002 -10.204 1.00 0.00 C ATOM 1096 CD1 PHE A 73 3.694 1.267 -8.844 1.00 0.00 C ATOM 1097 CD2 PHE A 73 4.715 0.326 -10.783 1.00 0.00 C ATOM 1098 CE1 PHE A 73 4.772 0.866 -8.077 1.00 0.00 C ATOM 1099 CE2 PHE A 73 5.795 -0.078 -10.021 1.00 0.00 C ATOM 1100 CZ PHE A 73 5.824 0.194 -8.667 1.00 0.00 C ATOM 0 H PHE A 73 1.001 0.534 -8.930 1.00 0.00 H new ATOM 0 HA PHE A 73 0.678 0.622 -11.875 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.805 1.571 -12.066 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.136 2.410 -10.680 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.874 1.793 -8.378 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.699 0.112 -11.842 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.791 1.078 -7.018 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.616 -0.606 -10.484 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.668 -0.119 -8.071 1.00 0.00 H new ATOM 1110 N ASP A 74 2.261 -1.402 -12.240 1.00 0.00 N ATOM 1111 CA ASP A 74 2.787 -2.750 -12.426 1.00 0.00 C ATOM 1112 C ASP A 74 4.286 -2.792 -12.144 1.00 0.00 C ATOM 1113 O ASP A 74 5.048 -1.926 -12.575 1.00 0.00 O ATOM 1114 CB ASP A 74 2.508 -3.237 -13.848 1.00 0.00 C ATOM 1115 CG ASP A 74 2.318 -4.739 -13.919 1.00 0.00 C ATOM 1116 OD1 ASP A 74 1.587 -5.285 -13.067 1.00 0.00 O ATOM 1117 OD2 ASP A 74 2.901 -5.370 -14.826 1.00 0.00 O ATOM 0 H ASP A 74 2.254 -0.832 -13.086 1.00 0.00 H new ATOM 0 HA ASP A 74 2.285 -3.411 -11.720 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.615 -2.742 -14.230 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.335 -2.947 -14.497 1.00 0.00 H new ATOM 1122 N PRO A 75 4.720 -3.823 -11.404 1.00 0.00 N ATOM 1123 CA PRO A 75 6.131 -4.002 -11.048 1.00 0.00 C ATOM 1124 C PRO A 75 6.989 -4.378 -12.252 1.00 0.00 C ATOM 1125 O PRO A 75 8.214 -4.446 -12.154 1.00 0.00 O ATOM 1126 CB PRO A 75 6.098 -5.150 -10.036 1.00 0.00 C ATOM 1127 CG PRO A 75 4.859 -5.910 -10.365 1.00 0.00 C ATOM 1128 CD PRO A 75 3.868 -4.892 -10.858 1.00 0.00 C ATOM 0 HA PRO A 75 6.573 -3.085 -10.659 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.983 -5.780 -10.123 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.072 -4.775 -9.013 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.055 -6.665 -11.127 1.00 0.00 H new ATOM 0 HG3 PRO A 75 4.478 -6.433 -9.488 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.209 -5.309 -11.619 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.232 -4.527 -10.051 1.00 0.00 H new ATOM 1136 N GLN A 76 6.338 -4.620 -13.385 1.00 0.00 N ATOM 1137 CA GLN A 76 7.043 -4.989 -14.607 1.00 0.00 C ATOM 1138 C GLN A 76 8.007 -6.142 -14.352 1.00 0.00 C ATOM 1139 O GLN A 76 9.024 -6.275 -15.031 1.00 0.00 O ATOM 1140 CB GLN A 76 7.805 -3.785 -15.164 1.00 0.00 C ATOM 1141 CG GLN A 76 6.973 -2.916 -16.093 1.00 0.00 C ATOM 1142 CD GLN A 76 7.575 -1.539 -16.299 1.00 0.00 C ATOM 1143 OE1 GLN A 76 8.783 -1.349 -16.153 1.00 0.00 O ATOM 1144 NE2 GLN A 76 6.734 -0.570 -16.640 1.00 0.00 N ATOM 0 H GLN A 76 5.324 -4.567 -13.482 1.00 0.00 H new ATOM 0 HA GLN A 76 6.304 -5.313 -15.340 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.163 -3.176 -14.334 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.684 -4.139 -15.702 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.874 -3.413 -17.058 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.968 -2.812 -15.684 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.740 -0.772 -16.750 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.082 0.377 -16.792 1.00 0.00 H new ATOM 1153 N ASN A 77 7.680 -6.974 -13.368 1.00 0.00 N ATOM 1154 CA ASN A 77 8.518 -8.117 -13.023 1.00 0.00 C ATOM 1155 C ASN A 77 9.212 -8.676 -14.261 1.00 0.00 C ATOM 1156 O ASN A 77 8.650 -9.476 -15.010 1.00 0.00 O ATOM 1157 CB ASN A 77 7.678 -9.209 -12.358 1.00 0.00 C ATOM 1158 CG ASN A 77 7.473 -8.960 -10.876 1.00 0.00 C ATOM 1159 OD1 ASN A 77 6.549 -8.252 -10.476 1.00 0.00 O ATOM 1160 ND2 ASN A 77 8.338 -9.543 -10.054 1.00 0.00 N ATOM 0 H ASN A 77 6.841 -6.878 -12.796 1.00 0.00 H new ATOM 0 HA ASN A 77 9.281 -7.778 -12.323 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.708 -9.268 -12.851 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.166 -10.174 -12.497 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.252 -9.412 -9.046 1.00 0.00 H new ATOM 0 HD22 ASN A 77 9.089 -10.122 -10.431 1.00 0.00 H new ATOM 1167 N PRO A 78 10.463 -8.247 -14.482 1.00 0.00 N ATOM 1168 CA PRO A 78 11.262 -8.693 -15.628 1.00 0.00 C ATOM 1169 C PRO A 78 11.679 -10.155 -15.510 1.00 0.00 C ATOM 1170 O PRO A 78 12.221 -10.734 -16.452 1.00 0.00 O ATOM 1171 CB PRO A 78 12.490 -7.781 -15.580 1.00 0.00 C ATOM 1172 CG PRO A 78 12.603 -7.372 -14.152 1.00 0.00 C ATOM 1173 CD PRO A 78 11.195 -7.294 -13.631 1.00 0.00 C ATOM 0 HA PRO A 78 10.704 -8.631 -16.563 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.386 -8.305 -15.914 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.366 -6.916 -16.231 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.190 -8.094 -13.584 1.00 0.00 H new ATOM 0 HG3 PRO A 78 13.107 -6.410 -14.060 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.140 -7.571 -12.578 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.790 -6.286 -13.717 1.00 0.00 H new ATOM 1181 N ASP A 79 11.424 -10.746 -14.348 1.00 0.00 N ATOM 1182 CA ASP A 79 11.772 -12.142 -14.107 1.00 0.00 C ATOM 1183 C ASP A 79 10.691 -13.072 -14.648 1.00 0.00 C ATOM 1184 O ASP A 79 9.499 -12.811 -14.489 1.00 0.00 O ATOM 1185 CB ASP A 79 11.974 -12.389 -12.612 1.00 0.00 C ATOM 1186 CG ASP A 79 12.779 -13.644 -12.336 1.00 0.00 C ATOM 1187 OD1 ASP A 79 13.725 -13.922 -13.101 1.00 0.00 O ATOM 1188 OD2 ASP A 79 12.463 -14.346 -11.353 1.00 0.00 O ATOM 0 H ASP A 79 10.978 -10.280 -13.558 1.00 0.00 H new ATOM 0 HA ASP A 79 12.704 -12.354 -14.631 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.481 -11.531 -12.170 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.002 -12.470 -12.125 1.00 0.00 H new ATOM 1193 N GLU A 80 11.116 -14.157 -15.287 1.00 0.00 N ATOM 1194 CA GLU A 80 10.183 -15.125 -15.852 1.00 0.00 C ATOM 1195 C GLU A 80 10.461 -16.526 -15.315 1.00 0.00 C ATOM 1196 O GLU A 80 11.449 -17.159 -15.684 1.00 0.00 O ATOM 1197 CB GLU A 80 10.276 -15.125 -17.380 1.00 0.00 C ATOM 1198 CG GLU A 80 9.685 -13.883 -18.025 1.00 0.00 C ATOM 1199 CD GLU A 80 10.154 -13.689 -19.454 1.00 0.00 C ATOM 1200 OE1 GLU A 80 11.322 -13.291 -19.647 1.00 0.00 O ATOM 1201 OE2 GLU A 80 9.352 -13.935 -20.379 1.00 0.00 O ATOM 0 H GLU A 80 12.100 -14.388 -15.426 1.00 0.00 H new ATOM 0 HA GLU A 80 9.175 -14.834 -15.556 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.322 -15.213 -17.672 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.762 -16.005 -17.767 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.597 -13.953 -18.010 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.957 -13.007 -17.435 1.00 0.00 H new ATOM 1208 N ASN A 81 9.581 -17.003 -14.441 1.00 0.00 N ATOM 1209 CA ASN A 81 9.731 -18.329 -13.851 1.00 0.00 C ATOM 1210 C ASN A 81 8.878 -19.354 -14.593 1.00 0.00 C ATOM 1211 O ASN A 81 9.394 -20.339 -15.120 1.00 0.00 O ATOM 1212 CB ASN A 81 9.342 -18.299 -12.372 1.00 0.00 C ATOM 1213 CG ASN A 81 10.070 -17.213 -11.604 1.00 0.00 C ATOM 1214 OD1 ASN A 81 9.448 -16.347 -10.990 1.00 0.00 O ATOM 1215 ND2 ASN A 81 11.397 -17.256 -11.635 1.00 0.00 N ATOM 0 H ASN A 81 8.757 -16.492 -14.125 1.00 0.00 H new ATOM 0 HA ASN A 81 10.777 -18.622 -13.938 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.267 -18.143 -12.285 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.561 -19.267 -11.922 1.00 0.00 H new ATOM 0 HD21 ASN A 81 11.942 -16.552 -11.137 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.871 -17.993 -12.157 1.00 0.00 H new ATOM 1222 N GLU A 82 7.571 -19.113 -14.629 1.00 0.00 N ATOM 1223 CA GLU A 82 6.647 -20.015 -15.306 1.00 0.00 C ATOM 1224 C GLU A 82 5.291 -19.348 -15.516 1.00 0.00 C ATOM 1225 O GLU A 82 4.965 -18.359 -14.859 1.00 0.00 O ATOM 1226 CB GLU A 82 6.475 -21.304 -14.499 1.00 0.00 C ATOM 1227 CG GLU A 82 5.779 -21.097 -13.164 1.00 0.00 C ATOM 1228 CD GLU A 82 6.575 -20.215 -12.221 1.00 0.00 C ATOM 1229 OE1 GLU A 82 7.662 -20.645 -11.781 1.00 0.00 O ATOM 1230 OE2 GLU A 82 6.111 -19.094 -11.925 1.00 0.00 O ATOM 0 H GLU A 82 7.129 -18.301 -14.198 1.00 0.00 H new ATOM 0 HA GLU A 82 7.067 -20.259 -16.282 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.904 -22.020 -15.090 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.456 -21.747 -14.323 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.800 -20.649 -13.335 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.609 -22.065 -12.693 1.00 0.00 H new ATOM 1237 N SER A 83 4.505 -19.897 -16.437 1.00 0.00 N ATOM 1238 CA SER A 83 3.186 -19.353 -16.738 1.00 0.00 C ATOM 1239 C SER A 83 2.150 -20.468 -16.844 1.00 0.00 C ATOM 1240 O SER A 83 2.382 -21.486 -17.496 1.00 0.00 O ATOM 1241 CB SER A 83 3.226 -18.552 -18.041 1.00 0.00 C ATOM 1242 OG SER A 83 3.531 -19.388 -19.144 1.00 0.00 O ATOM 0 H SER A 83 4.759 -20.718 -16.987 1.00 0.00 H new ATOM 0 HA SER A 83 2.899 -18.690 -15.922 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.263 -18.067 -18.203 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.972 -17.761 -17.963 1.00 0.00 H new ATOM 0 HG SER A 83 3.549 -18.853 -19.965 1.00 0.00 H new ATOM 1248 N GLY A 84 1.005 -20.268 -16.199 1.00 0.00 N ATOM 1249 CA GLY A 84 -0.050 -21.264 -16.233 1.00 0.00 C ATOM 1250 C GLY A 84 -1.316 -20.791 -15.547 1.00 0.00 C ATOM 1251 O GLY A 84 -1.563 -21.087 -14.378 1.00 0.00 O ATOM 0 H GLY A 84 0.789 -19.434 -15.653 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.274 -21.516 -17.269 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.301 -22.177 -15.752 1.00 0.00 H new ATOM 1255 N PRO A 85 -2.145 -20.035 -16.283 1.00 0.00 N ATOM 1256 CA PRO A 85 -3.406 -19.502 -15.759 1.00 0.00 C ATOM 1257 C PRO A 85 -4.446 -20.594 -15.531 1.00 0.00 C ATOM 1258 O PRO A 85 -4.612 -21.488 -16.361 1.00 0.00 O ATOM 1259 CB PRO A 85 -3.870 -18.542 -16.857 1.00 0.00 C ATOM 1260 CG PRO A 85 -3.235 -19.057 -18.103 1.00 0.00 C ATOM 1261 CD PRO A 85 -1.914 -19.642 -17.683 1.00 0.00 C ATOM 0 HA PRO A 85 -3.275 -19.027 -14.787 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -4.957 -18.532 -16.941 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.557 -17.519 -16.647 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -3.863 -19.811 -18.578 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.094 -18.256 -18.829 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.639 -20.497 -18.300 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.107 -18.914 -17.768 1.00 0.00 H new ATOM 1269 N SER A 86 -5.144 -20.514 -14.403 1.00 0.00 N ATOM 1270 CA SER A 86 -6.166 -21.498 -14.065 1.00 0.00 C ATOM 1271 C SER A 86 -7.548 -20.852 -14.020 1.00 0.00 C ATOM 1272 O SER A 86 -7.675 -19.646 -13.807 1.00 0.00 O ATOM 1273 CB SER A 86 -5.851 -22.150 -12.718 1.00 0.00 C ATOM 1274 OG SER A 86 -4.638 -22.880 -12.777 1.00 0.00 O ATOM 0 H SER A 86 -5.021 -19.778 -13.708 1.00 0.00 H new ATOM 0 HA SER A 86 -6.167 -22.265 -14.840 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.781 -21.383 -11.947 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.666 -22.815 -12.433 1.00 0.00 H new ATOM 0 HG SER A 86 -4.458 -23.286 -11.903 1.00 0.00 H new ATOM 1280 N SER A 87 -8.581 -21.664 -14.221 1.00 0.00 N ATOM 1281 CA SER A 87 -9.954 -21.172 -14.206 1.00 0.00 C ATOM 1282 C SER A 87 -10.376 -20.783 -12.793 1.00 0.00 C ATOM 1283 O SER A 87 -10.022 -21.449 -11.821 1.00 0.00 O ATOM 1284 CB SER A 87 -10.904 -22.235 -14.761 1.00 0.00 C ATOM 1285 OG SER A 87 -12.214 -21.717 -14.916 1.00 0.00 O ATOM 0 H SER A 87 -8.493 -22.665 -14.396 1.00 0.00 H new ATOM 0 HA SER A 87 -10.004 -20.285 -14.838 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.534 -22.591 -15.722 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.926 -23.094 -14.090 1.00 0.00 H new ATOM 0 HG SER A 87 -12.802 -22.415 -15.274 1.00 0.00 H new ATOM 1291 N GLY A 88 -11.137 -19.697 -12.688 1.00 0.00 N ATOM 1292 CA GLY A 88 -11.597 -19.236 -11.391 1.00 0.00 C ATOM 1293 C GLY A 88 -11.426 -17.741 -11.213 1.00 0.00 C ATOM 1294 O GLY A 88 -12.241 -17.090 -10.560 1.00 0.00 O ATOM 0 H GLY A 88 -11.443 -19.129 -13.478 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.649 -19.495 -11.269 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.047 -19.757 -10.608 1.00 0.00 H new TER 1298 GLY A 88