USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=20 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 49 ASN : amide:sc= -1.74 K(o=-9.1,f=-8) USER MOD Set 1.2: A 51 ASN : amide:sc= -3.98! C(o=-9.1!,f=-7.6!) USER MOD Set 1.3: A 53 GLN : amide:sc= -3.39! C(o=-9.1!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0621 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 34:sc= 0.03 USER MOD Single : A 13 GLN : amide:sc=-0.00986 K(o=-0.0099,f=-0.91) USER MOD Single : A 14 ASN : amide:sc= -0.546 X(o=-0.55,f=-0.097) USER MOD Single : A 20 LYS NZ :NH3+ 155:sc= -0.0682 (180deg=-0.455) USER MOD Single : A 23 GLN : amide:sc= -0.49 K(o=-0.49,f=-1.4) USER MOD Single : A 24 LYS NZ :NH3+ 169:sc= -0.632 (180deg=-0.704) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -5:sc= 0.41 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 -137:sc= -2.31 (180deg=-3.92!) USER MOD Single : A 59 ASN : amide:sc= -8.97! C(o=-9!,f=-8.3!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -5.8! C(o=-5.8!,f=-11!) USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= -0.0921 (180deg=-0.523) USER MOD Single : A 76 GLN : amide:sc= -0.0556 K(o=-0.056,f=-1.5!) USER MOD Single : A 77 ASN : amide:sc= -1.8 K(o=-1.8,f=-4.9!) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 83 SER OG : rot 29:sc= 1.14 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 28:sc= 0.907 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 35.116 -23.246 2.285 1.00 0.00 N ATOM 2 CA GLY A 1 34.013 -23.161 1.346 1.00 0.00 C ATOM 3 C GLY A 1 33.911 -21.797 0.693 1.00 0.00 C ATOM 4 O GLY A 1 34.882 -21.041 0.663 1.00 0.00 O ATOM 0 H1 GLY A 1 35.650 -24.122 2.114 1.00 0.00 H new ATOM 0 H2 GLY A 1 35.744 -22.427 2.158 1.00 0.00 H new ATOM 0 H3 GLY A 1 34.745 -23.251 3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 1 34.137 -23.921 0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 1 33.080 -23.383 1.865 1.00 0.00 H new ATOM 8 N SER A 2 32.732 -21.481 0.167 1.00 0.00 N ATOM 9 CA SER A 2 32.508 -20.200 -0.494 1.00 0.00 C ATOM 10 C SER A 2 31.775 -19.233 0.430 1.00 0.00 C ATOM 11 O SER A 2 30.945 -19.641 1.242 1.00 0.00 O ATOM 12 CB SER A 2 31.707 -20.400 -1.782 1.00 0.00 C ATOM 13 OG SER A 2 32.453 -21.133 -2.738 1.00 0.00 O ATOM 0 H SER A 2 31.917 -22.094 0.186 1.00 0.00 H new ATOM 0 HA SER A 2 33.479 -19.772 -0.742 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.779 -20.927 -1.559 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.431 -19.430 -2.197 1.00 0.00 H new ATOM 0 HG SER A 2 31.918 -21.249 -3.551 1.00 0.00 H new ATOM 19 N SER A 3 32.088 -17.948 0.299 1.00 0.00 N ATOM 20 CA SER A 3 31.462 -16.921 1.124 1.00 0.00 C ATOM 21 C SER A 3 29.972 -17.198 1.299 1.00 0.00 C ATOM 22 O SER A 3 29.447 -17.154 2.410 1.00 0.00 O ATOM 23 CB SER A 3 31.666 -15.540 0.499 1.00 0.00 C ATOM 24 OG SER A 3 33.044 -15.254 0.332 1.00 0.00 O ATOM 0 H SER A 3 32.771 -17.593 -0.370 1.00 0.00 H new ATOM 0 HA SER A 3 31.935 -16.941 2.106 1.00 0.00 H new ATOM 0 HB2 SER A 3 31.163 -15.497 -0.467 1.00 0.00 H new ATOM 0 HB3 SER A 3 31.208 -14.780 1.132 1.00 0.00 H new ATOM 0 HG SER A 3 33.147 -14.367 -0.071 1.00 0.00 H new ATOM 30 N GLY A 4 29.295 -17.482 0.190 1.00 0.00 N ATOM 31 CA GLY A 4 27.872 -17.762 0.240 1.00 0.00 C ATOM 32 C GLY A 4 27.351 -18.351 -1.055 1.00 0.00 C ATOM 33 O GLY A 4 27.827 -18.008 -2.137 1.00 0.00 O ATOM 0 H GLY A 4 29.707 -17.523 -0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.670 -18.454 1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.331 -16.842 0.460 1.00 0.00 H new ATOM 37 N SER A 5 26.371 -19.243 -0.946 1.00 0.00 N ATOM 38 CA SER A 5 25.788 -19.886 -2.118 1.00 0.00 C ATOM 39 C SER A 5 24.817 -18.946 -2.826 1.00 0.00 C ATOM 40 O SER A 5 23.965 -18.323 -2.193 1.00 0.00 O ATOM 41 CB SER A 5 25.068 -21.173 -1.714 1.00 0.00 C ATOM 42 OG SER A 5 24.223 -21.633 -2.755 1.00 0.00 O ATOM 0 H SER A 5 25.964 -19.537 -0.058 1.00 0.00 H new ATOM 0 HA SER A 5 26.596 -20.132 -2.807 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.801 -21.942 -1.470 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.479 -20.997 -0.814 1.00 0.00 H new ATOM 0 HG SER A 5 23.775 -22.458 -2.473 1.00 0.00 H new ATOM 48 N SER A 6 24.951 -18.851 -4.145 1.00 0.00 N ATOM 49 CA SER A 6 24.089 -17.985 -4.941 1.00 0.00 C ATOM 50 C SER A 6 22.734 -18.643 -5.184 1.00 0.00 C ATOM 51 O SER A 6 22.658 -19.806 -5.578 1.00 0.00 O ATOM 52 CB SER A 6 24.755 -17.655 -6.278 1.00 0.00 C ATOM 53 OG SER A 6 25.777 -16.687 -6.113 1.00 0.00 O ATOM 0 H SER A 6 25.648 -19.363 -4.685 1.00 0.00 H new ATOM 0 HA SER A 6 23.931 -17.061 -4.385 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.175 -18.562 -6.712 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.007 -17.283 -6.979 1.00 0.00 H new ATOM 0 HG SER A 6 26.188 -16.494 -6.981 1.00 0.00 H new ATOM 59 N GLY A 7 21.665 -17.889 -4.945 1.00 0.00 N ATOM 60 CA GLY A 7 20.327 -18.415 -5.143 1.00 0.00 C ATOM 61 C GLY A 7 20.083 -18.857 -6.572 1.00 0.00 C ATOM 62 O GLY A 7 20.823 -18.500 -7.490 1.00 0.00 O ATOM 0 H GLY A 7 21.702 -16.924 -4.618 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.169 -19.260 -4.473 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.597 -17.653 -4.872 1.00 0.00 H new ATOM 66 N PRO A 8 19.024 -19.653 -6.777 1.00 0.00 N ATOM 67 CA PRO A 8 18.660 -20.162 -8.103 1.00 0.00 C ATOM 68 C PRO A 8 18.136 -19.064 -9.022 1.00 0.00 C ATOM 69 O PRO A 8 17.807 -17.967 -8.569 1.00 0.00 O ATOM 70 CB PRO A 8 17.557 -21.180 -7.802 1.00 0.00 C ATOM 71 CG PRO A 8 16.968 -20.729 -6.510 1.00 0.00 C ATOM 72 CD PRO A 8 18.098 -20.118 -5.730 1.00 0.00 C ATOM 0 HA PRO A 8 19.517 -20.585 -8.627 1.00 0.00 H new ATOM 0 HB2 PRO A 8 16.808 -21.198 -8.594 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.961 -22.189 -7.722 1.00 0.00 H new ATOM 0 HG2 PRO A 8 16.172 -20.003 -6.676 1.00 0.00 H new ATOM 0 HG3 PRO A 8 16.528 -21.566 -5.968 1.00 0.00 H new ATOM 0 HD2 PRO A 8 17.755 -19.295 -5.103 1.00 0.00 H new ATOM 0 HD3 PRO A 8 18.570 -20.846 -5.070 1.00 0.00 H new ATOM 80 N LEU A 9 18.059 -19.367 -10.313 1.00 0.00 N ATOM 81 CA LEU A 9 17.573 -18.405 -11.296 1.00 0.00 C ATOM 82 C LEU A 9 16.404 -17.600 -10.739 1.00 0.00 C ATOM 83 O LEU A 9 15.513 -18.131 -10.076 1.00 0.00 O ATOM 84 CB LEU A 9 17.147 -19.126 -12.576 1.00 0.00 C ATOM 85 CG LEU A 9 18.279 -19.606 -13.485 1.00 0.00 C ATOM 86 CD1 LEU A 9 19.024 -18.422 -14.082 1.00 0.00 C ATOM 87 CD2 LEU A 9 19.235 -20.506 -12.715 1.00 0.00 C ATOM 0 H LEU A 9 18.327 -20.271 -10.703 1.00 0.00 H new ATOM 0 HA LEU A 9 18.386 -17.717 -11.527 1.00 0.00 H new ATOM 0 HB2 LEU A 9 16.540 -19.988 -12.299 1.00 0.00 H new ATOM 0 HB3 LEU A 9 16.506 -18.457 -13.150 1.00 0.00 H new ATOM 0 HG LEU A 9 17.844 -20.183 -14.301 1.00 0.00 H new ATOM 0 HD11 LEU A 9 19.826 -18.784 -14.726 1.00 0.00 H new ATOM 0 HD12 LEU A 9 18.333 -17.816 -14.668 1.00 0.00 H new ATOM 0 HD13 LEU A 9 19.447 -17.817 -13.280 1.00 0.00 H new ATOM 0 HD21 LEU A 9 20.034 -20.839 -13.377 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.663 -19.952 -11.879 1.00 0.00 H new ATOM 0 HD23 LEU A 9 18.693 -21.373 -12.336 1.00 0.00 H new ATOM 99 N PRO A 10 16.403 -16.287 -11.015 1.00 0.00 N ATOM 100 CA PRO A 10 15.347 -15.381 -10.553 1.00 0.00 C ATOM 101 C PRO A 10 14.019 -15.631 -11.260 1.00 0.00 C ATOM 102 O PRO A 10 13.984 -16.194 -12.354 1.00 0.00 O ATOM 103 CB PRO A 10 15.890 -13.995 -10.907 1.00 0.00 C ATOM 104 CG PRO A 10 16.826 -14.232 -12.042 1.00 0.00 C ATOM 105 CD PRO A 10 17.433 -15.587 -11.800 1.00 0.00 C ATOM 0 HA PRO A 10 15.132 -15.511 -9.492 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.086 -13.316 -11.192 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.403 -13.543 -10.059 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.298 -14.205 -12.995 1.00 0.00 H new ATOM 0 HG3 PRO A 10 17.595 -13.461 -12.081 1.00 0.00 H new ATOM 0 HD2 PRO A 10 17.646 -16.105 -12.735 1.00 0.00 H new ATOM 0 HD3 PRO A 10 18.374 -15.514 -11.254 1.00 0.00 H new ATOM 113 N SER A 11 12.929 -15.207 -10.629 1.00 0.00 N ATOM 114 CA SER A 11 11.598 -15.387 -11.196 1.00 0.00 C ATOM 115 C SER A 11 10.549 -14.657 -10.363 1.00 0.00 C ATOM 116 O SER A 11 10.625 -14.626 -9.134 1.00 0.00 O ATOM 117 CB SER A 11 11.254 -16.876 -11.280 1.00 0.00 C ATOM 118 OG SER A 11 11.265 -17.475 -9.996 1.00 0.00 O ATOM 0 H SER A 11 12.942 -14.736 -9.724 1.00 0.00 H new ATOM 0 HA SER A 11 11.597 -14.964 -12.200 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.271 -17.000 -11.734 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.970 -17.382 -11.927 1.00 0.00 H new ATOM 0 HG SER A 11 11.041 -18.426 -10.077 1.00 0.00 H new ATOM 124 N THR A 12 9.568 -14.069 -11.042 1.00 0.00 N ATOM 125 CA THR A 12 8.504 -13.338 -10.366 1.00 0.00 C ATOM 126 C THR A 12 7.180 -14.088 -10.455 1.00 0.00 C ATOM 127 O THR A 12 6.809 -14.586 -11.518 1.00 0.00 O ATOM 128 CB THR A 12 8.324 -11.929 -10.963 1.00 0.00 C ATOM 129 OG1 THR A 12 8.009 -12.024 -12.357 1.00 0.00 O ATOM 130 CG2 THR A 12 9.585 -11.098 -10.778 1.00 0.00 C ATOM 0 H THR A 12 9.489 -14.085 -12.059 1.00 0.00 H new ATOM 0 HA THR A 12 8.797 -13.247 -9.320 1.00 0.00 H new ATOM 0 HB THR A 12 7.504 -11.438 -10.439 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.464 -12.823 -12.516 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.434 -10.107 -11.207 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.805 -11.003 -9.715 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.420 -11.587 -11.279 1.00 0.00 H new ATOM 138 N GLN A 13 6.471 -14.163 -9.334 1.00 0.00 N ATOM 139 CA GLN A 13 5.187 -14.852 -9.286 1.00 0.00 C ATOM 140 C GLN A 13 4.177 -14.067 -8.456 1.00 0.00 C ATOM 141 O GLN A 13 4.506 -13.031 -7.879 1.00 0.00 O ATOM 142 CB GLN A 13 5.360 -16.257 -8.707 1.00 0.00 C ATOM 143 CG GLN A 13 5.721 -17.305 -9.748 1.00 0.00 C ATOM 144 CD GLN A 13 5.548 -18.721 -9.235 1.00 0.00 C ATOM 145 OE1 GLN A 13 4.614 -19.013 -8.488 1.00 0.00 O ATOM 146 NE2 GLN A 13 6.450 -19.609 -9.634 1.00 0.00 N ATOM 0 H GLN A 13 6.764 -13.755 -8.446 1.00 0.00 H new ATOM 0 HA GLN A 13 4.808 -14.931 -10.305 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.137 -16.233 -7.943 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.435 -16.553 -8.211 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.098 -17.164 -10.631 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.755 -17.160 -10.061 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.208 -19.323 -10.254 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.385 -20.578 -9.321 1.00 0.00 H new ATOM 155 N ASN A 14 2.947 -14.568 -8.400 1.00 0.00 N ATOM 156 CA ASN A 14 1.889 -13.912 -7.640 1.00 0.00 C ATOM 157 C ASN A 14 2.400 -13.459 -6.276 1.00 0.00 C ATOM 158 O ASN A 14 2.935 -14.255 -5.505 1.00 0.00 O ATOM 159 CB ASN A 14 0.699 -14.858 -7.463 1.00 0.00 C ATOM 160 CG ASN A 14 1.107 -16.199 -6.884 1.00 0.00 C ATOM 161 OD1 ASN A 14 1.041 -16.411 -5.674 1.00 0.00 O ATOM 162 ND2 ASN A 14 1.532 -17.112 -7.750 1.00 0.00 N ATOM 0 H ASN A 14 2.659 -15.425 -8.871 1.00 0.00 H new ATOM 0 HA ASN A 14 1.566 -13.033 -8.198 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.038 -14.392 -6.809 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.216 -15.014 -8.427 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.820 -18.033 -7.420 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.570 -16.892 -8.745 1.00 0.00 H new ATOM 169 N GLY A 15 2.230 -12.173 -5.984 1.00 0.00 N ATOM 170 CA GLY A 15 2.678 -11.635 -4.712 1.00 0.00 C ATOM 171 C GLY A 15 1.832 -10.468 -4.246 1.00 0.00 C ATOM 172 O GLY A 15 0.700 -10.276 -4.692 1.00 0.00 O ATOM 0 H GLY A 15 1.790 -11.494 -6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.652 -12.422 -3.959 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.716 -11.314 -4.802 1.00 0.00 H new ATOM 176 N PRO A 16 2.382 -9.664 -3.324 1.00 0.00 N ATOM 177 CA PRO A 16 1.687 -8.496 -2.775 1.00 0.00 C ATOM 178 C PRO A 16 1.533 -7.378 -3.801 1.00 0.00 C ATOM 179 O PRO A 16 2.315 -7.276 -4.745 1.00 0.00 O ATOM 180 CB PRO A 16 2.596 -8.048 -1.628 1.00 0.00 C ATOM 181 CG PRO A 16 3.950 -8.546 -2.001 1.00 0.00 C ATOM 182 CD PRO A 16 3.727 -9.832 -2.747 1.00 0.00 C ATOM 0 HA PRO A 16 0.671 -8.736 -2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.589 -6.964 -1.518 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.268 -8.467 -0.676 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.475 -7.820 -2.622 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.563 -8.710 -1.115 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.480 -9.983 -3.521 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.774 -10.695 -2.083 1.00 0.00 H new ATOM 190 N VAL A 17 0.519 -6.540 -3.608 1.00 0.00 N ATOM 191 CA VAL A 17 0.263 -5.428 -4.516 1.00 0.00 C ATOM 192 C VAL A 17 1.022 -4.179 -4.082 1.00 0.00 C ATOM 193 O VAL A 17 1.015 -3.813 -2.906 1.00 0.00 O ATOM 194 CB VAL A 17 -1.240 -5.101 -4.594 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.487 -3.950 -5.557 1.00 0.00 C ATOM 196 CG2 VAL A 17 -2.031 -6.333 -5.008 1.00 0.00 C ATOM 0 H VAL A 17 -0.138 -6.610 -2.831 1.00 0.00 H new ATOM 0 HA VAL A 17 0.611 -5.737 -5.502 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.580 -4.794 -3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.554 -3.733 -5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.951 -3.066 -5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.133 -4.225 -6.551 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.091 -6.085 -5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.691 -6.672 -5.987 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.878 -7.126 -4.276 1.00 0.00 H new ATOM 206 N PHE A 18 1.675 -3.527 -5.038 1.00 0.00 N ATOM 207 CA PHE A 18 2.439 -2.318 -4.755 1.00 0.00 C ATOM 208 C PHE A 18 1.730 -1.085 -5.307 1.00 0.00 C ATOM 209 O PHE A 18 0.980 -1.170 -6.279 1.00 0.00 O ATOM 210 CB PHE A 18 3.843 -2.424 -5.354 1.00 0.00 C ATOM 211 CG PHE A 18 4.651 -3.557 -4.790 1.00 0.00 C ATOM 212 CD1 PHE A 18 5.231 -3.455 -3.536 1.00 0.00 C ATOM 213 CD2 PHE A 18 4.832 -4.725 -5.514 1.00 0.00 C ATOM 214 CE1 PHE A 18 5.975 -4.496 -3.013 1.00 0.00 C ATOM 215 CE2 PHE A 18 5.575 -5.769 -4.996 1.00 0.00 C ATOM 216 CZ PHE A 18 6.148 -5.654 -3.745 1.00 0.00 C ATOM 0 H PHE A 18 1.690 -3.816 -6.016 1.00 0.00 H new ATOM 0 HA PHE A 18 2.520 -2.215 -3.673 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.760 -2.549 -6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.375 -1.488 -5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.100 -2.551 -2.960 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.388 -4.820 -6.494 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.420 -4.404 -2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.707 -6.674 -5.570 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.730 -6.468 -3.340 1.00 0.00 H new ATOM 226 N ALA A 19 1.974 0.061 -4.679 1.00 0.00 N ATOM 227 CA ALA A 19 1.361 1.312 -5.107 1.00 0.00 C ATOM 228 C ALA A 19 2.330 2.479 -4.953 1.00 0.00 C ATOM 229 O ALA A 19 2.870 2.713 -3.871 1.00 0.00 O ATOM 230 CB ALA A 19 0.087 1.573 -4.317 1.00 0.00 C ATOM 0 H ALA A 19 2.592 0.148 -3.872 1.00 0.00 H new ATOM 0 HA ALA A 19 1.108 1.221 -6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.360 2.511 -4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.617 0.757 -4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.324 1.638 -3.255 1.00 0.00 H new ATOM 236 N LYS A 20 2.547 3.210 -6.041 1.00 0.00 N ATOM 237 CA LYS A 20 3.451 4.354 -6.028 1.00 0.00 C ATOM 238 C LYS A 20 2.726 5.615 -5.569 1.00 0.00 C ATOM 239 O LYS A 20 1.789 6.075 -6.219 1.00 0.00 O ATOM 240 CB LYS A 20 4.048 4.574 -7.420 1.00 0.00 C ATOM 241 CG LYS A 20 4.956 5.789 -7.506 1.00 0.00 C ATOM 242 CD LYS A 20 6.394 5.435 -7.164 1.00 0.00 C ATOM 243 CE LYS A 20 7.159 4.962 -8.390 1.00 0.00 C ATOM 244 NZ LYS A 20 7.343 6.054 -9.385 1.00 0.00 N ATOM 0 H LYS A 20 2.108 3.030 -6.944 1.00 0.00 H new ATOM 0 HA LYS A 20 4.255 4.142 -5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.613 3.687 -7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.238 4.684 -8.141 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.912 6.207 -8.512 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.598 6.561 -6.825 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.892 6.305 -6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.406 4.655 -6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.134 4.581 -8.085 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.624 4.134 -8.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.180 5.854 -9.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.502 6.113 -9.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.475 6.958 -8.888 1.00 0.00 H new ATOM 258 N ALA A 21 3.168 6.169 -4.445 1.00 0.00 N ATOM 259 CA ALA A 21 2.563 7.379 -3.901 1.00 0.00 C ATOM 260 C ALA A 21 2.689 8.543 -4.878 1.00 0.00 C ATOM 261 O ALA A 21 3.794 8.990 -5.186 1.00 0.00 O ATOM 262 CB ALA A 21 3.204 7.736 -2.567 1.00 0.00 C ATOM 0 H ALA A 21 3.942 5.800 -3.893 1.00 0.00 H new ATOM 0 HA ALA A 21 1.502 7.185 -3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.743 8.641 -2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.058 6.917 -1.862 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.271 7.905 -2.710 1.00 0.00 H new ATOM 268 N ILE A 22 1.551 9.028 -5.363 1.00 0.00 N ATOM 269 CA ILE A 22 1.534 10.140 -6.305 1.00 0.00 C ATOM 270 C ILE A 22 1.522 11.478 -5.575 1.00 0.00 C ATOM 271 O ILE A 22 2.141 12.444 -6.021 1.00 0.00 O ATOM 272 CB ILE A 22 0.313 10.067 -7.241 1.00 0.00 C ATOM 273 CG1 ILE A 22 -0.953 10.495 -6.496 1.00 0.00 C ATOM 274 CG2 ILE A 22 0.156 8.660 -7.798 1.00 0.00 C ATOM 275 CD1 ILE A 22 -2.167 10.617 -7.391 1.00 0.00 C ATOM 0 H ILE A 22 0.628 8.668 -5.119 1.00 0.00 H new ATOM 0 HA ILE A 22 2.443 10.062 -6.901 1.00 0.00 H new ATOM 0 HB ILE A 22 0.471 10.751 -8.075 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.163 9.772 -5.708 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.772 11.453 -6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.711 8.624 -8.458 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.050 8.389 -8.359 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.016 7.957 -6.977 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.028 10.924 -6.797 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.976 11.361 -8.164 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.373 9.654 -7.858 1.00 0.00 H new ATOM 287 N GLN A 23 0.815 11.527 -4.451 1.00 0.00 N ATOM 288 CA GLN A 23 0.724 12.748 -3.658 1.00 0.00 C ATOM 289 C GLN A 23 1.314 12.539 -2.268 1.00 0.00 C ATOM 290 O GLN A 23 1.272 11.437 -1.722 1.00 0.00 O ATOM 291 CB GLN A 23 -0.733 13.199 -3.544 1.00 0.00 C ATOM 292 CG GLN A 23 -0.889 14.669 -3.191 1.00 0.00 C ATOM 293 CD GLN A 23 0.146 15.545 -3.868 1.00 0.00 C ATOM 294 OE1 GLN A 23 0.932 16.223 -3.205 1.00 0.00 O ATOM 295 NE2 GLN A 23 0.153 15.535 -5.196 1.00 0.00 N ATOM 0 H GLN A 23 0.297 10.736 -4.069 1.00 0.00 H new ATOM 0 HA GLN A 23 1.299 13.524 -4.164 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.240 13.005 -4.489 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.233 12.597 -2.785 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.886 15.004 -3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.811 14.790 -2.111 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.517 14.958 -5.705 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.828 16.104 -5.707 1.00 0.00 H new ATOM 304 N LYS A 24 1.866 13.606 -1.699 1.00 0.00 N ATOM 305 CA LYS A 24 2.465 13.542 -0.371 1.00 0.00 C ATOM 306 C LYS A 24 1.396 13.348 0.699 1.00 0.00 C ATOM 307 O LYS A 24 0.471 14.153 0.819 1.00 0.00 O ATOM 308 CB LYS A 24 3.262 14.817 -0.086 1.00 0.00 C ATOM 309 CG LYS A 24 4.439 14.602 0.849 1.00 0.00 C ATOM 310 CD LYS A 24 5.396 15.782 0.820 1.00 0.00 C ATOM 311 CE LYS A 24 6.497 15.632 1.859 1.00 0.00 C ATOM 312 NZ LYS A 24 7.482 14.583 1.476 1.00 0.00 N ATOM 0 H LYS A 24 1.911 14.526 -2.137 1.00 0.00 H new ATOM 0 HA LYS A 24 3.140 12.686 -0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.627 15.225 -1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.596 15.563 0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.075 14.452 1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.970 13.694 0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.840 15.868 -0.172 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.844 16.704 1.003 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.011 16.585 1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.055 15.380 2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.309 14.637 2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.042 13.645 1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.785 14.734 0.492 1.00 0.00 H new ATOM 326 N ARG A 25 1.529 12.278 1.476 1.00 0.00 N ATOM 327 CA ARG A 25 0.574 11.980 2.537 1.00 0.00 C ATOM 328 C ARG A 25 1.117 12.414 3.895 1.00 0.00 C ATOM 329 O ARG A 25 2.118 11.880 4.374 1.00 0.00 O ATOM 330 CB ARG A 25 0.254 10.484 2.558 1.00 0.00 C ATOM 331 CG ARG A 25 -1.148 10.169 3.054 1.00 0.00 C ATOM 332 CD ARG A 25 -1.232 10.246 4.571 1.00 0.00 C ATOM 333 NE ARG A 25 -1.583 11.586 5.032 1.00 0.00 N ATOM 334 CZ ARG A 25 -2.832 12.031 5.117 1.00 0.00 C ATOM 335 NH1 ARG A 25 -3.843 11.245 4.773 1.00 0.00 N ATOM 336 NH2 ARG A 25 -3.071 13.263 5.546 1.00 0.00 N ATOM 0 H ARG A 25 2.289 11.603 1.391 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.341 12.538 2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.374 10.081 1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.978 9.975 3.194 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.857 10.870 2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.437 9.172 2.722 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.975 9.533 4.930 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.275 9.953 5.002 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.828 12.215 5.304 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.662 10.297 4.443 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.801 11.588 4.839 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.295 13.870 5.811 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.030 13.603 5.611 1.00 0.00 H new ATOM 350 N VAL A 26 0.451 13.386 4.510 1.00 0.00 N ATOM 351 CA VAL A 26 0.866 13.891 5.813 1.00 0.00 C ATOM 352 C VAL A 26 -0.224 13.679 6.858 1.00 0.00 C ATOM 353 O VAL A 26 -1.124 14.501 7.028 1.00 0.00 O ATOM 354 CB VAL A 26 1.215 15.390 5.748 1.00 0.00 C ATOM 355 CG1 VAL A 26 1.624 15.903 7.121 1.00 0.00 C ATOM 356 CG2 VAL A 26 2.316 15.637 4.728 1.00 0.00 C ATOM 0 H VAL A 26 -0.378 13.839 4.127 1.00 0.00 H new ATOM 0 HA VAL A 26 1.755 13.330 6.101 1.00 0.00 H new ATOM 0 HB VAL A 26 0.328 15.938 5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.867 16.964 7.056 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.801 15.762 7.822 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.497 15.352 7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.550 16.701 4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.208 15.078 5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.981 15.309 3.744 1.00 0.00 H new ATOM 366 N PRO A 27 -0.143 12.549 7.576 1.00 0.00 N ATOM 367 CA PRO A 27 -1.114 12.202 8.618 1.00 0.00 C ATOM 368 C PRO A 27 -0.998 13.104 9.842 1.00 0.00 C ATOM 369 O PRO A 27 0.016 13.776 10.035 1.00 0.00 O ATOM 370 CB PRO A 27 -0.746 10.761 8.979 1.00 0.00 C ATOM 371 CG PRO A 27 0.695 10.636 8.623 1.00 0.00 C ATOM 372 CD PRO A 27 0.904 11.523 7.426 1.00 0.00 C ATOM 0 HA PRO A 27 -2.141 12.321 8.274 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.910 10.564 10.038 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.354 10.047 8.424 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.330 10.945 9.453 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.952 9.602 8.392 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.901 11.964 7.421 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.795 10.971 6.493 1.00 0.00 H new ATOM 380 N CYS A 28 -2.041 13.113 10.664 1.00 0.00 N ATOM 381 CA CYS A 28 -2.056 13.934 11.870 1.00 0.00 C ATOM 382 C CYS A 28 -1.227 13.289 12.977 1.00 0.00 C ATOM 383 O CYS A 28 -1.452 12.136 13.343 1.00 0.00 O ATOM 384 CB CYS A 28 -3.492 14.146 12.350 1.00 0.00 C ATOM 385 SG CYS A 28 -4.359 15.493 11.511 1.00 0.00 S ATOM 0 H CYS A 28 -2.887 12.562 10.518 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.615 14.901 11.627 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.052 13.222 12.206 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.480 14.347 13.421 1.00 0.00 H new ATOM 0 HG CYS A 28 -5.566 15.593 11.983 1.00 0.00 H new ATOM 391 N ALA A 29 -0.267 14.042 13.504 1.00 0.00 N ATOM 392 CA ALA A 29 0.595 13.544 14.569 1.00 0.00 C ATOM 393 C ALA A 29 -0.190 12.685 15.555 1.00 0.00 C ATOM 394 O ALA A 29 0.235 11.586 15.911 1.00 0.00 O ATOM 395 CB ALA A 29 1.264 14.704 15.292 1.00 0.00 C ATOM 0 H ALA A 29 -0.067 14.998 13.211 1.00 0.00 H new ATOM 0 HA ALA A 29 1.365 12.919 14.117 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.905 14.318 16.085 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.866 15.275 14.585 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.501 15.351 15.725 1.00 0.00 H new ATOM 401 N TYR A 30 -1.336 13.194 15.993 1.00 0.00 N ATOM 402 CA TYR A 30 -2.179 12.475 16.940 1.00 0.00 C ATOM 403 C TYR A 30 -2.593 11.117 16.380 1.00 0.00 C ATOM 404 O TYR A 30 -2.540 10.103 17.077 1.00 0.00 O ATOM 405 CB TYR A 30 -3.422 13.300 17.278 1.00 0.00 C ATOM 406 CG TYR A 30 -3.127 14.759 17.541 1.00 0.00 C ATOM 407 CD1 TYR A 30 -3.115 15.683 16.503 1.00 0.00 C ATOM 408 CD2 TYR A 30 -2.860 15.214 18.826 1.00 0.00 C ATOM 409 CE1 TYR A 30 -2.845 17.018 16.738 1.00 0.00 C ATOM 410 CE2 TYR A 30 -2.591 16.547 19.070 1.00 0.00 C ATOM 411 CZ TYR A 30 -2.585 17.444 18.023 1.00 0.00 C ATOM 412 OH TYR A 30 -2.315 18.773 18.263 1.00 0.00 O ATOM 0 H TYR A 30 -1.702 14.102 15.707 1.00 0.00 H new ATOM 0 HA TYR A 30 -1.601 12.312 17.850 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.133 13.224 16.455 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.904 12.871 18.156 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.320 15.352 15.496 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.863 14.514 19.648 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.838 17.723 15.920 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.387 16.884 20.075 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.155 18.907 19.221 1.00 0.00 H new ATOM 422 N ASP A 31 -3.004 11.106 15.117 1.00 0.00 N ATOM 423 CA ASP A 31 -3.425 9.874 14.461 1.00 0.00 C ATOM 424 C ASP A 31 -2.268 8.884 14.368 1.00 0.00 C ATOM 425 O ASP A 31 -1.169 9.235 13.936 1.00 0.00 O ATOM 426 CB ASP A 31 -3.968 10.175 13.063 1.00 0.00 C ATOM 427 CG ASP A 31 -4.838 9.056 12.526 1.00 0.00 C ATOM 428 OD1 ASP A 31 -4.506 7.878 12.771 1.00 0.00 O ATOM 429 OD2 ASP A 31 -5.851 9.359 11.860 1.00 0.00 O ATOM 0 H ASP A 31 -3.055 11.936 14.527 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.216 9.425 15.061 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.546 11.099 13.092 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.134 10.342 12.381 1.00 0.00 H new ATOM 434 N LYS A 32 -2.521 7.646 14.777 1.00 0.00 N ATOM 435 CA LYS A 32 -1.501 6.604 14.741 1.00 0.00 C ATOM 436 C LYS A 32 -1.778 5.611 13.617 1.00 0.00 C ATOM 437 O LYS A 32 -0.857 5.150 12.940 1.00 0.00 O ATOM 438 CB LYS A 32 -1.445 5.870 16.082 1.00 0.00 C ATOM 439 CG LYS A 32 -1.347 6.798 17.280 1.00 0.00 C ATOM 440 CD LYS A 32 -2.720 7.239 17.758 1.00 0.00 C ATOM 441 CE LYS A 32 -2.645 7.921 19.116 1.00 0.00 C ATOM 442 NZ LYS A 32 -2.703 6.939 20.234 1.00 0.00 N ATOM 0 H LYS A 32 -3.424 7.339 15.138 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.538 7.079 14.554 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.336 5.250 16.185 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.587 5.197 16.083 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.824 6.292 18.091 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.754 7.674 17.015 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.158 7.922 17.030 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.380 6.374 17.820 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.720 8.494 19.184 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.467 8.630 19.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.649 7.443 21.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.597 6.409 20.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.904 6.278 20.157 1.00 0.00 H new ATOM 456 N THR A 33 -3.052 5.286 13.420 1.00 0.00 N ATOM 457 CA THR A 33 -3.449 4.349 12.377 1.00 0.00 C ATOM 458 C THR A 33 -3.154 4.910 10.991 1.00 0.00 C ATOM 459 O THR A 33 -2.935 4.159 10.041 1.00 0.00 O ATOM 460 CB THR A 33 -4.948 4.006 12.472 1.00 0.00 C ATOM 461 OG1 THR A 33 -5.729 5.206 12.422 1.00 0.00 O ATOM 462 CG2 THR A 33 -5.251 3.251 13.757 1.00 0.00 C ATOM 0 H THR A 33 -3.827 5.658 13.970 1.00 0.00 H new ATOM 0 HA THR A 33 -2.865 3.441 12.529 1.00 0.00 H new ATOM 0 HB THR A 33 -5.206 3.369 11.626 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.133 5.984 12.416 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.315 3.020 13.801 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.678 2.324 13.778 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.978 3.867 14.614 1.00 0.00 H new ATOM 470 N ALA A 34 -3.149 6.235 10.883 1.00 0.00 N ATOM 471 CA ALA A 34 -2.878 6.896 9.613 1.00 0.00 C ATOM 472 C ALA A 34 -1.420 6.722 9.204 1.00 0.00 C ATOM 473 O ALA A 34 -0.516 7.260 9.844 1.00 0.00 O ATOM 474 CB ALA A 34 -3.230 8.374 9.702 1.00 0.00 C ATOM 0 H ALA A 34 -3.330 6.871 11.660 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.501 6.430 8.849 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.023 8.856 8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.288 8.482 9.941 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.632 8.844 10.483 1.00 0.00 H new ATOM 480 N LEU A 35 -1.197 5.967 8.134 1.00 0.00 N ATOM 481 CA LEU A 35 0.153 5.721 7.639 1.00 0.00 C ATOM 482 C LEU A 35 0.681 6.930 6.873 1.00 0.00 C ATOM 483 O LEU A 35 -0.031 7.524 6.065 1.00 0.00 O ATOM 484 CB LEU A 35 0.170 4.485 6.737 1.00 0.00 C ATOM 485 CG LEU A 35 1.477 3.692 6.709 1.00 0.00 C ATOM 486 CD1 LEU A 35 1.351 2.487 5.790 1.00 0.00 C ATOM 487 CD2 LEU A 35 2.631 4.581 6.271 1.00 0.00 C ATOM 0 H LEU A 35 -1.934 5.515 7.593 1.00 0.00 H new ATOM 0 HA LEU A 35 0.801 5.546 8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.630 3.817 7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.063 4.799 5.720 1.00 0.00 H new ATOM 0 HG LEU A 35 1.684 3.334 7.717 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.291 1.935 5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.552 1.838 6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.120 2.823 4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.553 4.000 6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.432 4.970 5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.736 5.411 6.969 1.00 0.00 H new ATOM 499 N ALA A 36 1.935 7.286 7.133 1.00 0.00 N ATOM 500 CA ALA A 36 2.560 8.421 6.465 1.00 0.00 C ATOM 501 C ALA A 36 3.392 7.966 5.271 1.00 0.00 C ATOM 502 O ALA A 36 4.080 6.946 5.333 1.00 0.00 O ATOM 503 CB ALA A 36 3.424 9.200 7.446 1.00 0.00 C ATOM 0 H ALA A 36 2.537 6.805 7.801 1.00 0.00 H new ATOM 0 HA ALA A 36 1.769 9.074 6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.885 10.045 6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.805 9.566 8.265 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.202 8.548 7.843 1.00 0.00 H new ATOM 509 N LEU A 37 3.324 8.727 4.184 1.00 0.00 N ATOM 510 CA LEU A 37 4.071 8.401 2.974 1.00 0.00 C ATOM 511 C LEU A 37 4.627 9.662 2.321 1.00 0.00 C ATOM 512 O LEU A 37 4.186 10.772 2.618 1.00 0.00 O ATOM 513 CB LEU A 37 3.176 7.652 1.985 1.00 0.00 C ATOM 514 CG LEU A 37 2.437 6.434 2.538 1.00 0.00 C ATOM 515 CD1 LEU A 37 1.158 6.184 1.754 1.00 0.00 C ATOM 516 CD2 LEU A 37 3.334 5.205 2.504 1.00 0.00 C ATOM 0 H LEU A 37 2.759 9.574 4.116 1.00 0.00 H new ATOM 0 HA LEU A 37 4.907 7.761 3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.438 8.352 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.789 7.329 1.144 1.00 0.00 H new ATOM 0 HG LEU A 37 2.170 6.636 3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.645 5.313 2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.508 7.056 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.402 6.004 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.791 4.347 2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.633 5.001 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.222 5.385 3.110 1.00 0.00 H new ATOM 528 N GLU A 38 5.595 9.483 1.428 1.00 0.00 N ATOM 529 CA GLU A 38 6.210 10.607 0.732 1.00 0.00 C ATOM 530 C GLU A 38 6.173 10.397 -0.779 1.00 0.00 C ATOM 531 O GLU A 38 6.551 9.338 -1.279 1.00 0.00 O ATOM 532 CB GLU A 38 7.655 10.795 1.197 1.00 0.00 C ATOM 533 CG GLU A 38 8.519 11.557 0.206 1.00 0.00 C ATOM 534 CD GLU A 38 9.768 12.134 0.844 1.00 0.00 C ATOM 535 OE1 GLU A 38 9.653 13.144 1.569 1.00 0.00 O ATOM 536 OE2 GLU A 38 10.862 11.574 0.618 1.00 0.00 O ATOM 0 H GLU A 38 5.970 8.570 1.169 1.00 0.00 H new ATOM 0 HA GLU A 38 5.640 11.505 0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.655 11.325 2.149 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.100 9.816 1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.806 10.891 -0.608 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.934 12.365 -0.234 1.00 0.00 H new ATOM 543 N VAL A 39 5.715 11.415 -1.501 1.00 0.00 N ATOM 544 CA VAL A 39 5.629 11.343 -2.955 1.00 0.00 C ATOM 545 C VAL A 39 6.778 10.525 -3.534 1.00 0.00 C ATOM 546 O VAL A 39 7.939 10.925 -3.457 1.00 0.00 O ATOM 547 CB VAL A 39 5.643 12.748 -3.588 1.00 0.00 C ATOM 548 CG1 VAL A 39 5.588 12.650 -5.105 1.00 0.00 C ATOM 549 CG2 VAL A 39 4.489 13.583 -3.056 1.00 0.00 C ATOM 0 H VAL A 39 5.398 12.299 -1.103 1.00 0.00 H new ATOM 0 HA VAL A 39 4.684 10.855 -3.193 1.00 0.00 H new ATOM 0 HB VAL A 39 6.575 13.243 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.599 13.652 -5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.452 12.091 -5.465 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.674 12.137 -5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.514 14.572 -3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.545 13.095 -3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.579 13.681 -1.974 1.00 0.00 H new ATOM 559 N GLY A 40 6.446 9.376 -4.114 1.00 0.00 N ATOM 560 CA GLY A 40 7.461 8.519 -4.698 1.00 0.00 C ATOM 561 C GLY A 40 7.813 7.346 -3.805 1.00 0.00 C ATOM 562 O GLY A 40 8.972 6.937 -3.734 1.00 0.00 O ATOM 0 H GLY A 40 5.492 9.023 -4.190 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.108 8.146 -5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.359 9.105 -4.893 1.00 0.00 H new ATOM 566 N ASP A 41 6.811 6.803 -3.122 1.00 0.00 N ATOM 567 CA ASP A 41 7.021 5.670 -2.228 1.00 0.00 C ATOM 568 C ASP A 41 6.134 4.494 -2.625 1.00 0.00 C ATOM 569 O ASP A 41 4.970 4.676 -2.986 1.00 0.00 O ATOM 570 CB ASP A 41 6.736 6.074 -0.781 1.00 0.00 C ATOM 571 CG ASP A 41 7.568 5.290 0.214 1.00 0.00 C ATOM 572 OD1 ASP A 41 7.793 4.084 -0.022 1.00 0.00 O ATOM 573 OD2 ASP A 41 7.994 5.881 1.229 1.00 0.00 O ATOM 0 H ASP A 41 5.846 7.129 -3.170 1.00 0.00 H new ATOM 0 HA ASP A 41 8.063 5.361 -2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.936 7.138 -0.658 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.678 5.921 -0.566 1.00 0.00 H new ATOM 578 N ILE A 42 6.690 3.290 -2.556 1.00 0.00 N ATOM 579 CA ILE A 42 5.949 2.085 -2.907 1.00 0.00 C ATOM 580 C ILE A 42 5.260 1.487 -1.685 1.00 0.00 C ATOM 581 O ILE A 42 5.889 0.804 -0.877 1.00 0.00 O ATOM 582 CB ILE A 42 6.869 1.021 -3.536 1.00 0.00 C ATOM 583 CG1 ILE A 42 7.255 1.426 -4.960 1.00 0.00 C ATOM 584 CG2 ILE A 42 6.186 -0.338 -3.532 1.00 0.00 C ATOM 585 CD1 ILE A 42 7.727 2.859 -5.073 1.00 0.00 C ATOM 0 H ILE A 42 7.652 3.123 -2.260 1.00 0.00 H new ATOM 0 HA ILE A 42 5.196 2.380 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 42 7.779 0.950 -2.940 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.043 0.763 -5.317 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.396 1.282 -5.616 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.848 -1.079 -3.979 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.958 -0.627 -2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.262 -0.283 -4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.984 3.077 -6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.933 3.530 -4.747 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.605 3.004 -4.444 1.00 0.00 H new ATOM 597 N VAL A 43 3.963 1.747 -1.558 1.00 0.00 N ATOM 598 CA VAL A 43 3.187 1.233 -0.436 1.00 0.00 C ATOM 599 C VAL A 43 2.819 -0.232 -0.648 1.00 0.00 C ATOM 600 O VAL A 43 1.888 -0.549 -1.388 1.00 0.00 O ATOM 601 CB VAL A 43 1.898 2.048 -0.224 1.00 0.00 C ATOM 602 CG1 VAL A 43 1.267 1.713 1.119 1.00 0.00 C ATOM 603 CG2 VAL A 43 2.187 3.538 -0.328 1.00 0.00 C ATOM 0 H VAL A 43 3.427 2.311 -2.218 1.00 0.00 H new ATOM 0 HA VAL A 43 3.815 1.323 0.450 1.00 0.00 H new ATOM 0 HB VAL A 43 1.189 1.782 -1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.357 2.299 1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.022 0.651 1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.969 1.948 1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.265 4.099 -0.176 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.914 3.822 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.589 3.763 -1.316 1.00 0.00 H new ATOM 613 N LYS A 44 3.557 -1.122 0.008 1.00 0.00 N ATOM 614 CA LYS A 44 3.308 -2.554 -0.106 1.00 0.00 C ATOM 615 C LYS A 44 2.176 -2.986 0.820 1.00 0.00 C ATOM 616 O LYS A 44 2.341 -3.031 2.039 1.00 0.00 O ATOM 617 CB LYS A 44 4.579 -3.341 0.223 1.00 0.00 C ATOM 618 CG LYS A 44 4.375 -4.846 0.245 1.00 0.00 C ATOM 619 CD LYS A 44 5.326 -5.523 1.217 1.00 0.00 C ATOM 620 CE LYS A 44 5.349 -7.031 1.015 1.00 0.00 C ATOM 621 NZ LYS A 44 6.505 -7.665 1.707 1.00 0.00 N ATOM 0 H LYS A 44 4.332 -0.876 0.624 1.00 0.00 H new ATOM 0 HA LYS A 44 3.013 -2.765 -1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.347 -3.098 -0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.954 -3.020 1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.346 -5.071 0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.528 -5.250 -0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.331 -5.122 1.084 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.025 -5.296 2.240 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.421 -7.462 1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.397 -7.254 -0.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.485 -8.692 1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.392 -7.272 1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.446 -7.474 2.728 1.00 0.00 H new ATOM 635 N VAL A 45 1.026 -3.303 0.234 1.00 0.00 N ATOM 636 CA VAL A 45 -0.133 -3.733 1.007 1.00 0.00 C ATOM 637 C VAL A 45 -0.408 -5.219 0.803 1.00 0.00 C ATOM 638 O VAL A 45 -0.520 -5.692 -0.329 1.00 0.00 O ATOM 639 CB VAL A 45 -1.391 -2.932 0.625 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.518 -2.825 -0.887 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.633 -3.571 1.228 1.00 0.00 C ATOM 0 H VAL A 45 0.872 -3.270 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 45 0.100 -3.550 2.056 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.295 -1.924 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.413 -2.256 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.641 -2.319 -1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.591 -3.824 -1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.513 -2.992 0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.736 -4.590 0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.542 -3.590 2.314 1.00 0.00 H new ATOM 651 N THR A 46 -0.518 -5.952 1.907 1.00 0.00 N ATOM 652 CA THR A 46 -0.780 -7.385 1.850 1.00 0.00 C ATOM 653 C THR A 46 -2.277 -7.668 1.798 1.00 0.00 C ATOM 654 O THR A 46 -2.711 -8.650 1.196 1.00 0.00 O ATOM 655 CB THR A 46 -0.172 -8.115 3.062 1.00 0.00 C ATOM 656 OG1 THR A 46 -0.736 -7.606 4.275 1.00 0.00 O ATOM 657 CG2 THR A 46 1.340 -7.949 3.091 1.00 0.00 C ATOM 0 H THR A 46 -0.430 -5.577 2.851 1.00 0.00 H new ATOM 0 HA THR A 46 -0.311 -7.757 0.939 1.00 0.00 H new ATOM 0 HB THR A 46 -0.404 -9.176 2.972 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.345 -8.077 5.040 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.747 -8.473 3.956 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.769 -8.365 2.179 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.589 -6.890 3.159 1.00 0.00 H new ATOM 665 N ARG A 47 -3.060 -6.802 2.432 1.00 0.00 N ATOM 666 CA ARG A 47 -4.509 -6.961 2.459 1.00 0.00 C ATOM 667 C ARG A 47 -5.203 -5.712 1.922 1.00 0.00 C ATOM 668 O ARG A 47 -4.921 -4.597 2.360 1.00 0.00 O ATOM 669 CB ARG A 47 -4.986 -7.249 3.883 1.00 0.00 C ATOM 670 CG ARG A 47 -6.450 -7.650 3.966 1.00 0.00 C ATOM 671 CD ARG A 47 -6.859 -7.972 5.395 1.00 0.00 C ATOM 672 NE ARG A 47 -6.076 -9.070 5.955 1.00 0.00 N ATOM 673 CZ ARG A 47 -5.936 -9.283 7.259 1.00 0.00 C ATOM 674 NH1 ARG A 47 -6.524 -8.477 8.132 1.00 0.00 N ATOM 675 NH2 ARG A 47 -5.208 -10.304 7.691 1.00 0.00 N ATOM 0 H ARG A 47 -2.716 -5.983 2.934 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.768 -7.804 1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.375 -8.046 4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.825 -6.363 4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.072 -6.842 3.582 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.627 -8.518 3.331 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.735 -7.085 6.016 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.917 -8.232 5.419 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.611 -9.709 5.310 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.085 -7.691 7.803 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.415 -8.642 9.133 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.755 -10.927 7.022 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.101 -10.467 8.692 1.00 0.00 H new ATOM 689 N MET A 48 -6.110 -5.908 0.970 1.00 0.00 N ATOM 690 CA MET A 48 -6.843 -4.798 0.374 1.00 0.00 C ATOM 691 C MET A 48 -8.312 -4.834 0.784 1.00 0.00 C ATOM 692 O MET A 48 -9.108 -5.577 0.210 1.00 0.00 O ATOM 693 CB MET A 48 -6.726 -4.841 -1.151 1.00 0.00 C ATOM 694 CG MET A 48 -5.327 -4.535 -1.661 1.00 0.00 C ATOM 695 SD MET A 48 -5.302 -4.132 -3.419 1.00 0.00 S ATOM 696 CE MET A 48 -4.333 -2.626 -3.407 1.00 0.00 C ATOM 0 H MET A 48 -6.354 -6.825 0.595 1.00 0.00 H new ATOM 0 HA MET A 48 -6.405 -3.869 0.738 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.024 -5.829 -1.503 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.426 -4.125 -1.581 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.912 -3.701 -1.095 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.682 -5.395 -1.480 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.790 -1.894 -4.073 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.299 -2.223 -2.395 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.320 -2.843 -3.746 1.00 0.00 H new ATOM 706 N ASN A 49 -8.665 -4.028 1.780 1.00 0.00 N ATOM 707 CA ASN A 49 -10.038 -3.969 2.266 1.00 0.00 C ATOM 708 C ASN A 49 -10.986 -3.506 1.165 1.00 0.00 C ATOM 709 O ASN A 49 -10.550 -3.097 0.088 1.00 0.00 O ATOM 710 CB ASN A 49 -10.136 -3.027 3.468 1.00 0.00 C ATOM 711 CG ASN A 49 -8.901 -3.081 4.346 1.00 0.00 C ATOM 712 OD1 ASN A 49 -8.234 -4.112 4.437 1.00 0.00 O ATOM 713 ND2 ASN A 49 -8.590 -1.967 4.999 1.00 0.00 N ATOM 0 H ASN A 49 -8.019 -3.407 2.266 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.331 -4.973 2.574 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.284 -2.006 3.115 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.012 -3.289 4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.770 -1.943 5.605 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.171 -1.135 4.894 1.00 0.00 H new ATOM 720 N ILE A 50 -12.284 -3.572 1.442 1.00 0.00 N ATOM 721 CA ILE A 50 -13.293 -3.157 0.475 1.00 0.00 C ATOM 722 C ILE A 50 -13.828 -1.767 0.801 1.00 0.00 C ATOM 723 O ILE A 50 -14.231 -1.021 -0.090 1.00 0.00 O ATOM 724 CB ILE A 50 -14.470 -4.150 0.429 1.00 0.00 C ATOM 725 CG1 ILE A 50 -14.977 -4.440 1.844 1.00 0.00 C ATOM 726 CG2 ILE A 50 -14.049 -5.438 -0.263 1.00 0.00 C ATOM 727 CD1 ILE A 50 -16.186 -5.348 1.878 1.00 0.00 C ATOM 0 H ILE A 50 -12.662 -3.909 2.328 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.806 -3.137 -0.500 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.282 -3.702 -0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.174 -4.896 2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.226 -3.498 2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -14.891 -6.130 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.731 -5.217 -1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.223 -5.892 0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.490 -5.510 2.912 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -17.005 -4.885 1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -15.936 -6.305 1.419 1.00 0.00 H new ATOM 739 N ASN A 51 -13.828 -1.425 2.086 1.00 0.00 N ATOM 740 CA ASN A 51 -14.312 -0.123 2.530 1.00 0.00 C ATOM 741 C ASN A 51 -13.716 0.997 1.683 1.00 0.00 C ATOM 742 O ASN A 51 -14.442 1.800 1.097 1.00 0.00 O ATOM 743 CB ASN A 51 -13.966 0.098 4.004 1.00 0.00 C ATOM 744 CG ASN A 51 -12.683 -0.603 4.407 1.00 0.00 C ATOM 745 OD1 ASN A 51 -12.678 -1.801 4.687 1.00 0.00 O ATOM 746 ND2 ASN A 51 -11.586 0.145 4.439 1.00 0.00 N ATOM 0 H ASN A 51 -13.498 -2.031 2.837 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.395 -0.107 2.412 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -13.869 1.167 4.195 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.785 -0.264 4.625 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.693 -0.271 4.704 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.637 1.135 4.199 1.00 0.00 H new ATOM 753 N GLY A 52 -12.389 1.044 1.622 1.00 0.00 N ATOM 754 CA GLY A 52 -11.717 2.069 0.844 1.00 0.00 C ATOM 755 C GLY A 52 -10.222 2.097 1.091 1.00 0.00 C ATOM 756 O GLY A 52 -9.433 2.176 0.149 1.00 0.00 O ATOM 0 H GLY A 52 -11.767 0.390 2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.904 1.897 -0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.141 3.043 1.089 1.00 0.00 H new ATOM 760 N GLN A 53 -9.832 2.033 2.360 1.00 0.00 N ATOM 761 CA GLN A 53 -8.421 2.055 2.726 1.00 0.00 C ATOM 762 C GLN A 53 -7.851 0.641 2.781 1.00 0.00 C ATOM 763 O GLN A 53 -8.591 -0.331 2.929 1.00 0.00 O ATOM 764 CB GLN A 53 -8.234 2.746 4.078 1.00 0.00 C ATOM 765 CG GLN A 53 -9.017 2.096 5.207 1.00 0.00 C ATOM 766 CD GLN A 53 -10.413 2.669 5.353 1.00 0.00 C ATOM 767 OE1 GLN A 53 -10.847 3.491 4.546 1.00 0.00 O ATOM 768 NE2 GLN A 53 -11.126 2.236 6.387 1.00 0.00 N ATOM 0 H GLN A 53 -10.473 1.966 3.151 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.882 2.615 1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.174 2.744 4.334 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.539 3.789 3.989 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.086 1.023 5.026 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.474 2.227 6.143 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.727 1.554 7.032 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.072 2.586 6.536 1.00 0.00 H new ATOM 777 N TRP A 54 -6.533 0.535 2.661 1.00 0.00 N ATOM 778 CA TRP A 54 -5.864 -0.761 2.696 1.00 0.00 C ATOM 779 C TRP A 54 -4.809 -0.799 3.796 1.00 0.00 C ATOM 780 O TRP A 54 -4.530 0.215 4.435 1.00 0.00 O ATOM 781 CB TRP A 54 -5.219 -1.062 1.343 1.00 0.00 C ATOM 782 CG TRP A 54 -6.077 -0.675 0.176 1.00 0.00 C ATOM 783 CD1 TRP A 54 -7.437 -0.760 0.095 1.00 0.00 C ATOM 784 CD2 TRP A 54 -5.631 -0.144 -1.076 1.00 0.00 C ATOM 785 NE1 TRP A 54 -7.864 -0.314 -1.132 1.00 0.00 N ATOM 786 CE2 TRP A 54 -6.776 0.071 -1.869 1.00 0.00 C ATOM 787 CE3 TRP A 54 -4.377 0.174 -1.605 1.00 0.00 C ATOM 788 CZ2 TRP A 54 -6.701 0.586 -3.160 1.00 0.00 C ATOM 789 CZ3 TRP A 54 -4.304 0.685 -2.886 1.00 0.00 C ATOM 790 CH2 TRP A 54 -5.460 0.888 -3.652 1.00 0.00 C ATOM 0 H TRP A 54 -5.906 1.330 2.539 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.613 -1.523 2.910 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.268 -0.534 1.276 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.997 -2.127 1.284 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.083 -1.124 0.880 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -8.834 -0.276 -1.444 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.481 0.023 -1.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.590 0.742 -3.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.340 0.932 -3.305 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -5.370 1.291 -4.650 1.00 0.00 H new ATOM 801 N GLU A 55 -4.226 -1.974 4.011 1.00 0.00 N ATOM 802 CA GLU A 55 -3.202 -2.142 5.035 1.00 0.00 C ATOM 803 C GLU A 55 -1.833 -2.375 4.403 1.00 0.00 C ATOM 804 O GLU A 55 -1.593 -3.407 3.778 1.00 0.00 O ATOM 805 CB GLU A 55 -3.556 -3.313 5.955 1.00 0.00 C ATOM 806 CG GLU A 55 -2.755 -3.337 7.246 1.00 0.00 C ATOM 807 CD GLU A 55 -2.737 -4.706 7.896 1.00 0.00 C ATOM 808 OE1 GLU A 55 -2.714 -5.713 7.157 1.00 0.00 O ATOM 809 OE2 GLU A 55 -2.746 -4.772 9.143 1.00 0.00 O ATOM 0 H GLU A 55 -4.445 -2.823 3.490 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.160 -1.226 5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.618 -3.266 6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.393 -4.248 5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.732 -3.023 7.040 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.176 -2.613 7.944 1.00 0.00 H new ATOM 816 N GLY A 56 -0.938 -1.405 4.569 1.00 0.00 N ATOM 817 CA GLY A 56 0.395 -1.522 4.009 1.00 0.00 C ATOM 818 C GLY A 56 1.474 -1.105 4.988 1.00 0.00 C ATOM 819 O GLY A 56 1.200 -0.405 5.962 1.00 0.00 O ATOM 0 H GLY A 56 -1.113 -0.541 5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.567 -2.553 3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.464 -0.906 3.112 1.00 0.00 H new ATOM 823 N GLU A 57 2.705 -1.536 4.729 1.00 0.00 N ATOM 824 CA GLU A 57 3.828 -1.204 5.598 1.00 0.00 C ATOM 825 C GLU A 57 4.866 -0.371 4.851 1.00 0.00 C ATOM 826 O GLU A 57 5.335 -0.758 3.780 1.00 0.00 O ATOM 827 CB GLU A 57 4.476 -2.480 6.140 1.00 0.00 C ATOM 828 CG GLU A 57 5.347 -2.247 7.363 1.00 0.00 C ATOM 829 CD GLU A 57 6.784 -1.919 7.003 1.00 0.00 C ATOM 830 OE1 GLU A 57 6.997 -1.238 5.979 1.00 0.00 O ATOM 831 OE2 GLU A 57 7.694 -2.344 7.745 1.00 0.00 O ATOM 0 H GLU A 57 2.949 -2.115 3.926 1.00 0.00 H new ATOM 0 HA GLU A 57 3.447 -0.615 6.433 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.694 -3.196 6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.081 -2.932 5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.929 -1.431 7.952 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.328 -3.137 7.993 1.00 0.00 H new ATOM 838 N VAL A 58 5.219 0.775 5.423 1.00 0.00 N ATOM 839 CA VAL A 58 6.201 1.664 4.813 1.00 0.00 C ATOM 840 C VAL A 58 7.042 2.365 5.873 1.00 0.00 C ATOM 841 O VAL A 58 6.532 2.763 6.920 1.00 0.00 O ATOM 842 CB VAL A 58 5.523 2.725 3.925 1.00 0.00 C ATOM 843 CG1 VAL A 58 6.566 3.617 3.269 1.00 0.00 C ATOM 844 CG2 VAL A 58 4.644 2.060 2.878 1.00 0.00 C ATOM 0 H VAL A 58 4.840 1.110 6.308 1.00 0.00 H new ATOM 0 HA VAL A 58 6.848 1.043 4.194 1.00 0.00 H new ATOM 0 HB VAL A 58 4.889 3.350 4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.069 4.360 2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.150 4.121 4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.228 3.010 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.173 2.824 2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.254 1.410 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.874 1.468 3.372 1.00 0.00 H new ATOM 854 N ASN A 59 8.333 2.514 5.595 1.00 0.00 N ATOM 855 CA ASN A 59 9.245 3.169 6.525 1.00 0.00 C ATOM 856 C ASN A 59 9.026 2.663 7.948 1.00 0.00 C ATOM 857 O ASN A 59 8.900 3.450 8.885 1.00 0.00 O ATOM 858 CB ASN A 59 9.055 4.686 6.477 1.00 0.00 C ATOM 859 CG ASN A 59 7.595 5.089 6.555 1.00 0.00 C ATOM 860 OD1 ASN A 59 6.976 5.017 7.617 1.00 0.00 O ATOM 861 ND2 ASN A 59 7.037 5.515 5.428 1.00 0.00 N ATOM 0 H ASN A 59 8.771 2.190 4.733 1.00 0.00 H new ATOM 0 HA ASN A 59 10.265 2.928 6.225 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.600 5.144 7.302 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.488 5.075 5.555 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.057 5.799 5.420 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.588 5.558 4.571 1.00 0.00 H new ATOM 868 N GLY A 60 8.982 1.343 8.101 1.00 0.00 N ATOM 869 CA GLY A 60 8.779 0.754 9.412 1.00 0.00 C ATOM 870 C GLY A 60 7.533 1.280 10.097 1.00 0.00 C ATOM 871 O GLY A 60 7.559 1.603 11.285 1.00 0.00 O ATOM 0 H GLY A 60 9.083 0.671 7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.706 -0.329 9.313 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.648 0.959 10.038 1.00 0.00 H new ATOM 875 N ARG A 61 6.440 1.369 9.346 1.00 0.00 N ATOM 876 CA ARG A 61 5.180 1.862 9.888 1.00 0.00 C ATOM 877 C ARG A 61 3.994 1.268 9.133 1.00 0.00 C ATOM 878 O ARG A 61 3.875 1.427 7.918 1.00 0.00 O ATOM 879 CB ARG A 61 5.131 3.390 9.814 1.00 0.00 C ATOM 880 CG ARG A 61 6.117 4.076 10.746 1.00 0.00 C ATOM 881 CD ARG A 61 5.679 5.494 11.073 1.00 0.00 C ATOM 882 NE ARG A 61 6.678 6.207 11.864 1.00 0.00 N ATOM 883 CZ ARG A 61 6.636 7.515 12.096 1.00 0.00 C ATOM 884 NH1 ARG A 61 5.649 8.248 11.600 1.00 0.00 N ATOM 885 NH2 ARG A 61 7.583 8.091 12.826 1.00 0.00 N ATOM 0 H ARG A 61 6.402 1.106 8.361 1.00 0.00 H new ATOM 0 HA ARG A 61 5.117 1.553 10.931 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.334 3.703 8.790 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.122 3.725 10.055 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.209 3.501 11.667 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.104 4.096 10.283 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.494 6.039 10.147 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.737 5.465 11.620 1.00 0.00 H new ATOM 0 HE ARG A 61 7.451 5.672 12.260 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.919 7.808 11.039 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.619 9.252 11.780 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.344 7.530 13.209 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.550 9.095 13.004 1.00 0.00 H new ATOM 899 N LYS A 62 3.119 0.583 9.861 1.00 0.00 N ATOM 900 CA LYS A 62 1.942 -0.035 9.263 1.00 0.00 C ATOM 901 C LYS A 62 0.674 0.719 9.652 1.00 0.00 C ATOM 902 O LYS A 62 0.322 0.793 10.828 1.00 0.00 O ATOM 903 CB LYS A 62 1.832 -1.498 9.697 1.00 0.00 C ATOM 904 CG LYS A 62 2.991 -2.361 9.227 1.00 0.00 C ATOM 905 CD LYS A 62 2.840 -3.799 9.694 1.00 0.00 C ATOM 906 CE LYS A 62 1.909 -4.586 8.784 1.00 0.00 C ATOM 907 NZ LYS A 62 1.426 -5.836 9.433 1.00 0.00 N ATOM 0 H LYS A 62 3.203 0.442 10.868 1.00 0.00 H new ATOM 0 HA LYS A 62 2.051 0.008 8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.775 -1.542 10.785 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.901 -1.914 9.312 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.047 -2.335 8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.928 -1.951 9.605 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.818 -4.279 9.719 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.452 -3.813 10.713 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.056 -3.965 8.512 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.430 -4.835 7.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.794 -6.344 8.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.238 -6.441 9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.907 -5.598 10.302 1.00 0.00 H new ATOM 921 N GLY A 63 -0.008 1.275 8.656 1.00 0.00 N ATOM 922 CA GLY A 63 -1.230 2.014 8.915 1.00 0.00 C ATOM 923 C GLY A 63 -2.166 2.025 7.723 1.00 0.00 C ATOM 924 O GLY A 63 -1.789 1.613 6.625 1.00 0.00 O ATOM 0 H GLY A 63 0.264 1.227 7.674 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.742 1.574 9.771 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.980 3.040 9.186 1.00 0.00 H new ATOM 928 N LEU A 64 -3.389 2.495 7.938 1.00 0.00 N ATOM 929 CA LEU A 64 -4.383 2.556 6.872 1.00 0.00 C ATOM 930 C LEU A 64 -4.224 3.831 6.050 1.00 0.00 C ATOM 931 O LEU A 64 -4.280 4.938 6.586 1.00 0.00 O ATOM 932 CB LEU A 64 -5.794 2.487 7.459 1.00 0.00 C ATOM 933 CG LEU A 64 -6.080 1.303 8.383 1.00 0.00 C ATOM 934 CD1 LEU A 64 -7.438 1.461 9.048 1.00 0.00 C ATOM 935 CD2 LEU A 64 -6.011 -0.006 7.610 1.00 0.00 C ATOM 0 H LEU A 64 -3.717 2.839 8.840 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.227 1.701 6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.981 3.407 8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.507 2.460 6.635 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.318 1.282 9.162 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.624 0.609 9.702 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.451 2.379 9.636 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.214 1.508 8.284 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.217 -0.838 8.284 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.751 0.005 6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.015 -0.124 7.182 1.00 0.00 H new ATOM 947 N PHE A 65 -4.025 3.668 4.746 1.00 0.00 N ATOM 948 CA PHE A 65 -3.858 4.806 3.850 1.00 0.00 C ATOM 949 C PHE A 65 -4.880 4.761 2.718 1.00 0.00 C ATOM 950 O PHE A 65 -5.233 3.697 2.208 1.00 0.00 O ATOM 951 CB PHE A 65 -2.442 4.824 3.273 1.00 0.00 C ATOM 952 CG PHE A 65 -2.149 3.665 2.365 1.00 0.00 C ATOM 953 CD1 PHE A 65 -1.904 2.404 2.886 1.00 0.00 C ATOM 954 CD2 PHE A 65 -2.119 3.835 0.990 1.00 0.00 C ATOM 955 CE1 PHE A 65 -1.635 1.335 2.053 1.00 0.00 C ATOM 956 CE2 PHE A 65 -1.851 2.769 0.152 1.00 0.00 C ATOM 957 CZ PHE A 65 -1.607 1.517 0.684 1.00 0.00 C ATOM 0 H PHE A 65 -3.975 2.759 4.286 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.020 5.717 4.426 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.295 5.753 2.722 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.724 4.823 4.093 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.924 2.255 3.956 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.307 4.811 0.568 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.447 0.358 2.472 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.832 2.914 -0.918 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.395 0.683 0.031 1.00 0.00 H new ATOM 967 N PRO A 66 -5.368 5.944 2.314 1.00 0.00 N ATOM 968 CA PRO A 66 -6.357 6.067 1.239 1.00 0.00 C ATOM 969 C PRO A 66 -5.770 5.732 -0.128 1.00 0.00 C ATOM 970 O PRO A 66 -4.635 6.098 -0.435 1.00 0.00 O ATOM 971 CB PRO A 66 -6.764 7.541 1.299 1.00 0.00 C ATOM 972 CG PRO A 66 -5.595 8.233 1.910 1.00 0.00 C ATOM 973 CD PRO A 66 -4.992 7.251 2.877 1.00 0.00 C ATOM 0 HA PRO A 66 -7.189 5.375 1.369 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.980 7.933 0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.664 7.679 1.899 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.872 8.525 1.148 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.904 9.145 2.421 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.910 7.364 2.942 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.388 7.384 3.884 1.00 0.00 H new ATOM 981 N PHE A 67 -6.551 5.035 -0.947 1.00 0.00 N ATOM 982 CA PHE A 67 -6.108 4.650 -2.282 1.00 0.00 C ATOM 983 C PHE A 67 -6.127 5.847 -3.228 1.00 0.00 C ATOM 984 O PHE A 67 -5.352 5.913 -4.183 1.00 0.00 O ATOM 985 CB PHE A 67 -6.997 3.534 -2.836 1.00 0.00 C ATOM 986 CG PHE A 67 -8.305 4.027 -3.385 1.00 0.00 C ATOM 987 CD1 PHE A 67 -9.316 4.444 -2.533 1.00 0.00 C ATOM 988 CD2 PHE A 67 -8.525 4.073 -4.752 1.00 0.00 C ATOM 989 CE1 PHE A 67 -10.521 4.898 -3.035 1.00 0.00 C ATOM 990 CE2 PHE A 67 -9.727 4.527 -5.259 1.00 0.00 C ATOM 991 CZ PHE A 67 -10.727 4.938 -4.400 1.00 0.00 C ATOM 0 H PHE A 67 -7.493 4.725 -0.710 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.084 4.285 -2.206 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -6.457 3.007 -3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.194 2.810 -2.045 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -9.160 4.414 -1.465 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.748 3.750 -5.429 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.300 5.221 -2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.885 4.561 -6.327 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.669 5.290 -4.795 1.00 0.00 H new ATOM 1001 N THR A 68 -7.020 6.794 -2.956 1.00 0.00 N ATOM 1002 CA THR A 68 -7.143 7.989 -3.782 1.00 0.00 C ATOM 1003 C THR A 68 -5.887 8.849 -3.695 1.00 0.00 C ATOM 1004 O THR A 68 -5.757 9.848 -4.403 1.00 0.00 O ATOM 1005 CB THR A 68 -8.361 8.835 -3.368 1.00 0.00 C ATOM 1006 OG1 THR A 68 -8.264 9.189 -1.983 1.00 0.00 O ATOM 1007 CG2 THR A 68 -9.656 8.076 -3.612 1.00 0.00 C ATOM 0 H THR A 68 -7.669 6.756 -2.170 1.00 0.00 H new ATOM 0 HA THR A 68 -7.278 7.651 -4.809 1.00 0.00 H new ATOM 0 HB THR A 68 -8.369 9.740 -3.975 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.041 9.728 -1.728 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.502 8.694 -3.312 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.742 7.833 -4.671 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.654 7.156 -3.028 1.00 0.00 H new ATOM 1015 N HIS A 69 -4.964 8.454 -2.824 1.00 0.00 N ATOM 1016 CA HIS A 69 -3.717 9.189 -2.646 1.00 0.00 C ATOM 1017 C HIS A 69 -2.574 8.509 -3.392 1.00 0.00 C ATOM 1018 O HIS A 69 -1.493 9.078 -3.546 1.00 0.00 O ATOM 1019 CB HIS A 69 -3.375 9.303 -1.160 1.00 0.00 C ATOM 1020 CG HIS A 69 -2.582 10.526 -0.819 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -3.108 11.596 -0.126 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -1.292 10.846 -1.080 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -2.177 12.521 0.024 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -1.066 12.091 -0.545 1.00 0.00 N ATOM 0 H HIS A 69 -5.056 7.629 -2.231 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.852 10.189 -3.058 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -4.299 9.307 -0.582 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.813 8.420 -0.856 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -4.066 11.663 0.217 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.575 10.236 -1.610 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -2.303 13.468 0.527 1.00 0.00 H new ATOM 1033 N VAL A 70 -2.820 7.287 -3.855 1.00 0.00 N ATOM 1034 CA VAL A 70 -1.812 6.529 -4.586 1.00 0.00 C ATOM 1035 C VAL A 70 -2.387 5.947 -5.872 1.00 0.00 C ATOM 1036 O VAL A 70 -3.604 5.867 -6.041 1.00 0.00 O ATOM 1037 CB VAL A 70 -1.239 5.385 -3.729 1.00 0.00 C ATOM 1038 CG1 VAL A 70 -0.984 5.859 -2.306 1.00 0.00 C ATOM 1039 CG2 VAL A 70 -2.179 4.189 -3.740 1.00 0.00 C ATOM 0 H VAL A 70 -3.709 6.801 -3.736 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.010 7.225 -4.833 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.287 5.074 -4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.579 5.037 -1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.270 6.682 -2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.920 6.198 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.758 3.390 -3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.147 4.484 -3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.306 3.835 -4.763 1.00 0.00 H new ATOM 1049 N LYS A 71 -1.504 5.540 -6.778 1.00 0.00 N ATOM 1050 CA LYS A 71 -1.923 4.963 -8.050 1.00 0.00 C ATOM 1051 C LYS A 71 -1.212 3.638 -8.306 1.00 0.00 C ATOM 1052 O LYS A 71 0.014 3.554 -8.220 1.00 0.00 O ATOM 1053 CB LYS A 71 -1.637 5.937 -9.195 1.00 0.00 C ATOM 1054 CG LYS A 71 -2.466 5.674 -10.440 1.00 0.00 C ATOM 1055 CD LYS A 71 -2.526 6.897 -11.339 1.00 0.00 C ATOM 1056 CE LYS A 71 -1.258 7.043 -12.167 1.00 0.00 C ATOM 1057 NZ LYS A 71 -1.078 5.906 -13.112 1.00 0.00 N ATOM 0 H LYS A 71 -0.493 5.599 -6.655 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.996 4.776 -8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.826 6.954 -8.851 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.580 5.879 -9.454 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.039 4.836 -10.992 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.476 5.384 -10.151 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.388 6.821 -12.002 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.670 7.790 -10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.295 7.978 -12.727 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.396 7.103 -11.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.480 6.207 -13.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.623 5.112 -12.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.006 5.603 -13.472 1.00 0.00 H new ATOM 1071 N ILE A 72 -1.988 2.607 -8.622 1.00 0.00 N ATOM 1072 CA ILE A 72 -1.431 1.287 -8.894 1.00 0.00 C ATOM 1073 C ILE A 72 -0.587 1.298 -10.163 1.00 0.00 C ATOM 1074 O ILE A 72 -1.032 1.759 -11.214 1.00 0.00 O ATOM 1075 CB ILE A 72 -2.539 0.227 -9.036 1.00 0.00 C ATOM 1076 CG1 ILE A 72 -3.369 0.151 -7.753 1.00 0.00 C ATOM 1077 CG2 ILE A 72 -1.934 -1.130 -9.363 1.00 0.00 C ATOM 1078 CD1 ILE A 72 -2.623 -0.455 -6.585 1.00 0.00 C ATOM 0 H ILE A 72 -3.004 2.660 -8.696 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.800 1.029 -8.043 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.197 0.517 -9.855 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.697 1.155 -7.482 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.266 -0.437 -7.945 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.729 -1.869 -9.460 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.382 -1.066 -10.300 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.257 -1.429 -8.563 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.273 -0.477 -5.710 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.318 -1.471 -6.836 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.740 0.145 -6.366 1.00 0.00 H new ATOM 1090 N PHE A 73 0.634 0.784 -10.060 1.00 0.00 N ATOM 1091 CA PHE A 73 1.542 0.732 -11.200 1.00 0.00 C ATOM 1092 C PHE A 73 2.246 -0.619 -11.274 1.00 0.00 C ATOM 1093 O PHE A 73 2.235 -1.390 -10.315 1.00 0.00 O ATOM 1094 CB PHE A 73 2.577 1.855 -11.106 1.00 0.00 C ATOM 1095 CG PHE A 73 3.727 1.535 -10.195 1.00 0.00 C ATOM 1096 CD1 PHE A 73 3.512 1.271 -8.852 1.00 0.00 C ATOM 1097 CD2 PHE A 73 5.024 1.499 -10.681 1.00 0.00 C ATOM 1098 CE1 PHE A 73 4.568 0.976 -8.011 1.00 0.00 C ATOM 1099 CE2 PHE A 73 6.084 1.204 -9.845 1.00 0.00 C ATOM 1100 CZ PHE A 73 5.856 0.943 -8.508 1.00 0.00 C ATOM 0 H PHE A 73 1.018 0.397 -9.198 1.00 0.00 H new ATOM 0 HA PHE A 73 0.953 0.865 -12.108 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.962 2.068 -12.103 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.086 2.762 -10.754 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.507 1.296 -8.458 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.209 1.704 -11.725 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.386 0.771 -6.966 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.090 1.178 -10.237 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.683 0.714 -7.853 1.00 0.00 H new ATOM 1110 N ASP A 74 2.857 -0.899 -12.421 1.00 0.00 N ATOM 1111 CA ASP A 74 3.567 -2.157 -12.621 1.00 0.00 C ATOM 1112 C ASP A 74 5.076 -1.948 -12.539 1.00 0.00 C ATOM 1113 O ASP A 74 5.735 -1.609 -13.522 1.00 0.00 O ATOM 1114 CB ASP A 74 3.197 -2.765 -13.975 1.00 0.00 C ATOM 1115 CG ASP A 74 1.889 -3.531 -13.927 1.00 0.00 C ATOM 1116 OD1 ASP A 74 1.747 -4.408 -13.050 1.00 0.00 O ATOM 1117 OD2 ASP A 74 1.008 -3.253 -14.767 1.00 0.00 O ATOM 0 H ASP A 74 2.875 -0.272 -13.225 1.00 0.00 H new ATOM 0 HA ASP A 74 3.270 -2.844 -11.829 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.123 -1.971 -14.718 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.994 -3.433 -14.300 1.00 0.00 H new ATOM 1122 N PRO A 75 5.637 -2.154 -11.338 1.00 0.00 N ATOM 1123 CA PRO A 75 7.075 -1.993 -11.099 1.00 0.00 C ATOM 1124 C PRO A 75 7.901 -3.079 -11.780 1.00 0.00 C ATOM 1125 O PRO A 75 8.954 -2.801 -12.353 1.00 0.00 O ATOM 1126 CB PRO A 75 7.195 -2.106 -9.577 1.00 0.00 C ATOM 1127 CG PRO A 75 6.014 -2.913 -9.162 1.00 0.00 C ATOM 1128 CD PRO A 75 4.912 -2.559 -10.123 1.00 0.00 C ATOM 0 HA PRO A 75 7.453 -1.054 -11.502 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.127 -2.592 -9.289 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.188 -1.123 -9.105 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.237 -3.979 -9.200 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.726 -2.684 -8.136 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.255 -3.408 -10.311 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.288 -1.752 -9.739 1.00 0.00 H new ATOM 1136 N GLN A 76 7.416 -4.314 -11.713 1.00 0.00 N ATOM 1137 CA GLN A 76 8.110 -5.441 -12.324 1.00 0.00 C ATOM 1138 C GLN A 76 7.368 -5.932 -13.563 1.00 0.00 C ATOM 1139 O GLN A 76 7.339 -7.128 -13.848 1.00 0.00 O ATOM 1140 CB GLN A 76 8.258 -6.584 -11.318 1.00 0.00 C ATOM 1141 CG GLN A 76 9.040 -6.200 -10.072 1.00 0.00 C ATOM 1142 CD GLN A 76 10.540 -6.262 -10.284 1.00 0.00 C ATOM 1143 OE1 GLN A 76 11.030 -7.021 -11.120 1.00 0.00 O ATOM 1144 NE2 GLN A 76 11.279 -5.460 -9.526 1.00 0.00 N ATOM 0 H GLN A 76 6.545 -4.560 -11.242 1.00 0.00 H new ATOM 0 HA GLN A 76 9.101 -5.102 -12.627 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.267 -6.928 -11.023 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.755 -7.423 -11.805 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.761 -5.191 -9.769 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.764 -6.866 -9.255 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.831 -4.846 -8.845 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.294 -5.458 -9.625 1.00 0.00 H new ATOM 1153 N ASN A 77 6.769 -4.999 -14.296 1.00 0.00 N ATOM 1154 CA ASN A 77 6.026 -5.337 -15.505 1.00 0.00 C ATOM 1155 C ASN A 77 6.648 -6.540 -16.208 1.00 0.00 C ATOM 1156 O ASN A 77 7.598 -6.415 -16.980 1.00 0.00 O ATOM 1157 CB ASN A 77 5.988 -4.139 -16.456 1.00 0.00 C ATOM 1158 CG ASN A 77 7.374 -3.647 -16.822 1.00 0.00 C ATOM 1159 OD1 ASN A 77 8.380 -4.206 -16.383 1.00 0.00 O ATOM 1160 ND2 ASN A 77 7.434 -2.594 -17.629 1.00 0.00 N ATOM 0 H ASN A 77 6.783 -4.004 -14.074 1.00 0.00 H new ATOM 0 HA ASN A 77 5.007 -5.595 -15.216 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.452 -4.416 -17.364 1.00 0.00 H new ATOM 0 HB3 ASN A 77 5.428 -3.327 -15.991 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.339 -2.217 -17.909 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.575 -2.162 -17.969 1.00 0.00 H new ATOM 1167 N PRO A 78 6.099 -7.733 -15.935 1.00 0.00 N ATOM 1168 CA PRO A 78 6.583 -8.981 -16.531 1.00 0.00 C ATOM 1169 C PRO A 78 6.273 -9.070 -18.022 1.00 0.00 C ATOM 1170 O PRO A 78 6.657 -10.030 -18.689 1.00 0.00 O ATOM 1171 CB PRO A 78 5.820 -10.062 -15.761 1.00 0.00 C ATOM 1172 CG PRO A 78 4.580 -9.385 -15.287 1.00 0.00 C ATOM 1173 CD PRO A 78 4.965 -7.955 -15.023 1.00 0.00 C ATOM 0 HA PRO A 78 7.667 -9.073 -16.460 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.587 -10.913 -16.400 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.408 -10.442 -14.925 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.791 -9.445 -16.037 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.197 -9.859 -14.383 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.142 -7.272 -15.232 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.250 -7.801 -13.982 1.00 0.00 H new ATOM 1181 N ASP A 79 5.577 -8.063 -18.537 1.00 0.00 N ATOM 1182 CA ASP A 79 5.216 -8.027 -19.950 1.00 0.00 C ATOM 1183 C ASP A 79 6.376 -7.508 -20.793 1.00 0.00 C ATOM 1184 O ASP A 79 6.935 -6.449 -20.512 1.00 0.00 O ATOM 1185 CB ASP A 79 3.983 -7.148 -20.161 1.00 0.00 C ATOM 1186 CG ASP A 79 4.050 -5.856 -19.370 1.00 0.00 C ATOM 1187 OD1 ASP A 79 4.782 -4.937 -19.795 1.00 0.00 O ATOM 1188 OD2 ASP A 79 3.371 -5.763 -18.326 1.00 0.00 O ATOM 0 H ASP A 79 5.251 -7.261 -17.998 1.00 0.00 H new ATOM 0 HA ASP A 79 4.986 -9.044 -20.267 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.883 -6.916 -21.221 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.091 -7.703 -19.870 1.00 0.00 H new ATOM 1193 N GLU A 80 6.733 -8.263 -21.828 1.00 0.00 N ATOM 1194 CA GLU A 80 7.828 -7.880 -22.711 1.00 0.00 C ATOM 1195 C GLU A 80 7.303 -7.150 -23.944 1.00 0.00 C ATOM 1196 O GLU A 80 7.110 -7.753 -24.999 1.00 0.00 O ATOM 1197 CB GLU A 80 8.626 -9.114 -23.136 1.00 0.00 C ATOM 1198 CG GLU A 80 7.814 -10.118 -23.936 1.00 0.00 C ATOM 1199 CD GLU A 80 8.308 -11.541 -23.760 1.00 0.00 C ATOM 1200 OE1 GLU A 80 8.115 -12.104 -22.662 1.00 0.00 O ATOM 1201 OE2 GLU A 80 8.887 -12.091 -24.720 1.00 0.00 O ATOM 0 H GLU A 80 6.280 -9.143 -22.075 1.00 0.00 H new ATOM 0 HA GLU A 80 8.484 -7.204 -22.162 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.482 -8.796 -23.731 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.021 -9.605 -22.247 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.769 -10.060 -23.631 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.853 -9.852 -24.992 1.00 0.00 H new ATOM 1208 N ASN A 81 7.074 -5.849 -23.802 1.00 0.00 N ATOM 1209 CA ASN A 81 6.570 -5.037 -24.903 1.00 0.00 C ATOM 1210 C ASN A 81 7.700 -4.640 -25.848 1.00 0.00 C ATOM 1211 O ASN A 81 8.599 -3.888 -25.474 1.00 0.00 O ATOM 1212 CB ASN A 81 5.877 -3.784 -24.365 1.00 0.00 C ATOM 1213 CG ASN A 81 5.388 -2.872 -25.473 1.00 0.00 C ATOM 1214 OD1 ASN A 81 4.801 -3.329 -26.455 1.00 0.00 O ATOM 1215 ND2 ASN A 81 5.628 -1.575 -25.322 1.00 0.00 N ATOM 0 H ASN A 81 7.229 -5.334 -22.935 1.00 0.00 H new ATOM 0 HA ASN A 81 5.847 -5.633 -25.460 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.033 -4.079 -23.742 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.569 -3.236 -23.726 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.323 -0.913 -26.036 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.118 -1.240 -24.492 1.00 0.00 H new ATOM 1222 N GLU A 82 7.647 -5.151 -27.074 1.00 0.00 N ATOM 1223 CA GLU A 82 8.667 -4.850 -28.072 1.00 0.00 C ATOM 1224 C GLU A 82 8.163 -3.808 -29.066 1.00 0.00 C ATOM 1225 O GLU A 82 6.961 -3.566 -29.174 1.00 0.00 O ATOM 1226 CB GLU A 82 9.077 -6.123 -28.815 1.00 0.00 C ATOM 1227 CG GLU A 82 10.133 -6.939 -28.087 1.00 0.00 C ATOM 1228 CD GLU A 82 11.508 -6.303 -28.153 1.00 0.00 C ATOM 1229 OE1 GLU A 82 11.966 -5.992 -29.272 1.00 0.00 O ATOM 1230 OE2 GLU A 82 12.126 -6.117 -27.084 1.00 0.00 O ATOM 0 H GLU A 82 6.909 -5.775 -27.400 1.00 0.00 H new ATOM 0 HA GLU A 82 9.537 -4.444 -27.555 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.194 -6.743 -28.971 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.455 -5.853 -29.801 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.841 -7.057 -27.044 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.178 -7.938 -28.520 1.00 0.00 H new ATOM 1237 N SER A 83 9.092 -3.193 -29.791 1.00 0.00 N ATOM 1238 CA SER A 83 8.745 -2.173 -30.774 1.00 0.00 C ATOM 1239 C SER A 83 8.335 -2.812 -32.097 1.00 0.00 C ATOM 1240 O SER A 83 9.179 -3.271 -32.866 1.00 0.00 O ATOM 1241 CB SER A 83 9.925 -1.225 -30.996 1.00 0.00 C ATOM 1242 OG SER A 83 11.017 -1.902 -31.594 1.00 0.00 O ATOM 0 H SER A 83 10.091 -3.383 -29.716 1.00 0.00 H new ATOM 0 HA SER A 83 7.900 -1.604 -30.388 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.615 -0.396 -31.632 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.236 -0.797 -30.043 1.00 0.00 H new ATOM 0 HG SER A 83 10.683 -2.644 -32.140 1.00 0.00 H new ATOM 1248 N GLY A 84 7.031 -2.837 -32.357 1.00 0.00 N ATOM 1249 CA GLY A 84 6.530 -3.421 -33.587 1.00 0.00 C ATOM 1250 C GLY A 84 5.359 -2.649 -34.161 1.00 0.00 C ATOM 1251 O GLY A 84 4.570 -2.045 -33.434 1.00 0.00 O ATOM 0 H GLY A 84 6.313 -2.463 -31.737 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.334 -3.456 -34.323 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.225 -4.450 -33.399 1.00 0.00 H new ATOM 1255 N PRO A 85 5.234 -2.662 -35.496 1.00 0.00 N ATOM 1256 CA PRO A 85 4.153 -1.961 -36.197 1.00 0.00 C ATOM 1257 C PRO A 85 2.794 -2.613 -35.965 1.00 0.00 C ATOM 1258 O PRO A 85 2.379 -3.490 -36.723 1.00 0.00 O ATOM 1259 CB PRO A 85 4.555 -2.072 -37.670 1.00 0.00 C ATOM 1260 CG PRO A 85 5.409 -3.290 -37.739 1.00 0.00 C ATOM 1261 CD PRO A 85 6.137 -3.361 -36.425 1.00 0.00 C ATOM 0 HA PRO A 85 4.039 -0.935 -35.848 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.680 -2.165 -38.313 1.00 0.00 H new ATOM 0 HB3 PRO A 85 5.100 -1.187 -37.999 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.804 -4.182 -37.898 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.111 -3.228 -38.571 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.311 -4.392 -36.117 1.00 0.00 H new ATOM 0 HD3 PRO A 85 7.112 -2.876 -36.479 1.00 0.00 H new ATOM 1269 N SER A 86 2.106 -2.178 -34.915 1.00 0.00 N ATOM 1270 CA SER A 86 0.795 -2.722 -34.582 1.00 0.00 C ATOM 1271 C SER A 86 -0.227 -2.375 -35.660 1.00 0.00 C ATOM 1272 O SER A 86 -1.028 -1.455 -35.499 1.00 0.00 O ATOM 1273 CB SER A 86 0.326 -2.186 -33.228 1.00 0.00 C ATOM 1274 OG SER A 86 1.171 -2.633 -32.182 1.00 0.00 O ATOM 0 H SER A 86 2.434 -1.450 -34.280 1.00 0.00 H new ATOM 0 HA SER A 86 0.883 -3.807 -34.525 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.314 -1.096 -33.249 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.696 -2.513 -33.038 1.00 0.00 H new ATOM 0 HG SER A 86 0.851 -2.275 -31.328 1.00 0.00 H new ATOM 1280 N SER A 87 -0.192 -3.119 -36.761 1.00 0.00 N ATOM 1281 CA SER A 87 -1.112 -2.889 -37.869 1.00 0.00 C ATOM 1282 C SER A 87 -2.558 -3.085 -37.424 1.00 0.00 C ATOM 1283 O SER A 87 -2.966 -4.190 -37.070 1.00 0.00 O ATOM 1284 CB SER A 87 -0.791 -3.833 -39.030 1.00 0.00 C ATOM 1285 OG SER A 87 -1.135 -5.170 -38.710 1.00 0.00 O ATOM 0 H SER A 87 0.464 -3.886 -36.910 1.00 0.00 H new ATOM 0 HA SER A 87 -0.990 -1.859 -38.203 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.335 -3.517 -39.920 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.271 -3.774 -39.268 1.00 0.00 H new ATOM 0 HG SER A 87 -1.873 -5.173 -38.065 1.00 0.00 H new ATOM 1291 N GLY A 88 -3.329 -2.002 -37.445 1.00 0.00 N ATOM 1292 CA GLY A 88 -4.721 -2.074 -37.042 1.00 0.00 C ATOM 1293 C GLY A 88 -5.484 -0.803 -37.360 1.00 0.00 C ATOM 1294 O GLY A 88 -6.146 -0.711 -38.393 1.00 0.00 O ATOM 0 H GLY A 88 -3.014 -1.076 -37.734 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.198 -2.916 -37.544 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.776 -2.269 -35.971 1.00 0.00 H new TER 1298 GLY A 88