USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 883 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 89 ASN : amide:sc= -2.58 K(o=-2.6,f=-10!) USER MOD Set 1.2: A 94 TYR OH : rot 120:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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= -0.0248 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0767 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 171:sc= -0.978 (180deg=-1.62) USER MOD Single : A 22 ASN : amide:sc= 0.984 K(o=0.98,f=0.43) USER MOD Single : A 23 LYS NZ :NH3+ -168:sc=-0.00296 (180deg=-0.123) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.4) USER MOD Single : A 34 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.1) USER MOD Single : A 35 MET CE :methyl 167:sc= 0 (180deg=-0.213) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 173:sc= -0.188 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0472 X(o=-0.047,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.0149 K(o=-0.015,f=-1.4) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.341 K(o=-0.34,f=-1.1) USER MOD Single : A 59 SER OG : rot 180:sc= -0.124 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.295 X(o=-0.3,f=0.069) USER MOD Single : A 69 THR OG1 : rot -21:sc= 0.996 USER MOD Single : A 71 MET CE :methyl -114:sc= -3.64! (180deg=-4.79!) USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= -0.0309 (180deg=-0.247) USER MOD Single : A 76 GLN : amide:sc= -5.09! C(o=-5.1!,f=-8.8!) USER MOD Single : A 77 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.063) USER MOD Single : A 79 GLN : amide:sc= -0.0471 K(o=-0.047,f=-0.78) USER MOD Single : A 80 TYR OH : rot 30:sc= -0.158 USER MOD Single : A 86 LYS NZ :NH3+ -164:sc= -0.0244 (180deg=-0.19) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -8.24! C(o=-8.2!,f=-13!) USER MOD Single : A 96 MET CE :methyl 173:sc= -0.252 (180deg=-0.284) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 19:sc= 0.389 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.443 34.311 10.021 1.00 0.00 N ATOM 2 CA GLY A 1 -11.002 34.145 9.998 1.00 0.00 C ATOM 3 C GLY A 1 -10.497 33.302 11.152 1.00 0.00 C ATOM 4 O GLY A 1 -10.236 33.818 12.239 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.738 34.894 9.212 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.901 33.379 9.961 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.724 34.779 10.906 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.708 33.680 9.057 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.526 35.125 10.032 1.00 0.00 H new ATOM 8 N SER A 2 -10.360 32.001 10.917 1.00 0.00 N ATOM 9 CA SER A 2 -9.888 31.084 11.948 1.00 0.00 C ATOM 10 C SER A 2 -8.799 30.166 11.401 1.00 0.00 C ATOM 11 O SER A 2 -8.870 29.712 10.259 1.00 0.00 O ATOM 12 CB SER A 2 -11.051 30.249 12.488 1.00 0.00 C ATOM 13 OG SER A 2 -10.579 29.140 13.234 1.00 0.00 O ATOM 0 H SER A 2 -10.569 31.558 10.022 1.00 0.00 H new ATOM 0 HA SER A 2 -9.466 31.675 12.761 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.688 30.871 13.118 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.667 29.899 11.660 1.00 0.00 H new ATOM 0 HG SER A 2 -11.341 28.623 13.570 1.00 0.00 H new ATOM 19 N SER A 3 -7.792 29.897 12.225 1.00 0.00 N ATOM 20 CA SER A 3 -6.684 29.037 11.824 1.00 0.00 C ATOM 21 C SER A 3 -6.532 27.864 12.788 1.00 0.00 C ATOM 22 O SER A 3 -6.117 28.036 13.933 1.00 0.00 O ATOM 23 CB SER A 3 -5.382 29.838 11.769 1.00 0.00 C ATOM 24 OG SER A 3 -4.350 29.091 11.149 1.00 0.00 O ATOM 0 H SER A 3 -7.720 30.262 13.175 1.00 0.00 H new ATOM 0 HA SER A 3 -6.902 28.644 10.831 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.545 30.765 11.219 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.079 30.115 12.779 1.00 0.00 H new ATOM 0 HG SER A 3 -3.529 29.625 11.124 1.00 0.00 H new ATOM 30 N GLY A 4 -6.872 26.669 12.313 1.00 0.00 N ATOM 31 CA GLY A 4 -6.766 25.484 13.144 1.00 0.00 C ATOM 32 C GLY A 4 -8.118 24.882 13.470 1.00 0.00 C ATOM 33 O GLY A 4 -8.991 25.558 14.015 1.00 0.00 O ATOM 0 H GLY A 4 -7.219 26.501 11.369 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.154 24.740 12.634 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.252 25.739 14.071 1.00 0.00 H new ATOM 37 N SER A 5 -8.294 23.608 13.135 1.00 0.00 N ATOM 38 CA SER A 5 -9.553 22.917 13.391 1.00 0.00 C ATOM 39 C SER A 5 -9.415 21.956 14.568 1.00 0.00 C ATOM 40 O SER A 5 -8.443 21.206 14.661 1.00 0.00 O ATOM 41 CB SER A 5 -10.002 22.153 12.144 1.00 0.00 C ATOM 42 OG SER A 5 -9.135 21.066 11.872 1.00 0.00 O ATOM 0 H SER A 5 -7.581 23.033 12.686 1.00 0.00 H new ATOM 0 HA SER A 5 -10.306 23.665 13.641 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.018 21.785 12.285 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.024 22.828 11.288 1.00 0.00 H new ATOM 0 HG SER A 5 -9.445 20.593 11.071 1.00 0.00 H new ATOM 48 N SER A 6 -10.395 21.985 15.465 1.00 0.00 N ATOM 49 CA SER A 6 -10.383 21.120 16.639 1.00 0.00 C ATOM 50 C SER A 6 -10.096 19.674 16.245 1.00 0.00 C ATOM 51 O SER A 6 -9.279 18.999 16.870 1.00 0.00 O ATOM 52 CB SER A 6 -11.722 21.204 17.375 1.00 0.00 C ATOM 53 OG SER A 6 -12.792 20.812 16.533 1.00 0.00 O ATOM 0 H SER A 6 -11.208 22.598 15.401 1.00 0.00 H new ATOM 0 HA SER A 6 -9.590 21.462 17.304 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.696 20.565 18.257 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.885 22.223 17.725 1.00 0.00 H new ATOM 0 HG SER A 6 -13.636 20.873 17.027 1.00 0.00 H new ATOM 59 N GLY A 7 -10.776 19.205 15.203 1.00 0.00 N ATOM 60 CA GLY A 7 -10.581 17.842 14.743 1.00 0.00 C ATOM 61 C GLY A 7 -10.745 17.708 13.242 1.00 0.00 C ATOM 62 O GLY A 7 -11.802 18.024 12.694 1.00 0.00 O ATOM 0 H GLY A 7 -11.458 19.744 14.669 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.585 17.505 15.028 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.295 17.187 15.243 1.00 0.00 H new ATOM 66 N THR A 8 -9.696 17.239 12.573 1.00 0.00 N ATOM 67 CA THR A 8 -9.727 17.067 11.126 1.00 0.00 C ATOM 68 C THR A 8 -10.564 15.854 10.735 1.00 0.00 C ATOM 69 O THR A 8 -11.379 15.923 9.815 1.00 0.00 O ATOM 70 CB THR A 8 -8.308 16.905 10.549 1.00 0.00 C ATOM 71 OG1 THR A 8 -7.465 16.247 11.501 1.00 0.00 O ATOM 72 CG2 THR A 8 -7.714 18.257 10.187 1.00 0.00 C ATOM 0 H THR A 8 -8.814 16.972 13.011 1.00 0.00 H new ATOM 0 HA THR A 8 -10.180 17.967 10.710 1.00 0.00 H new ATOM 0 HB THR A 8 -8.374 16.301 9.644 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.565 16.146 11.126 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.712 18.117 9.782 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.343 18.743 9.441 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.661 18.882 11.079 1.00 0.00 H new ATOM 80 N GLU A 9 -10.358 14.746 11.440 1.00 0.00 N ATOM 81 CA GLU A 9 -11.095 13.519 11.165 1.00 0.00 C ATOM 82 C GLU A 9 -12.455 13.533 11.857 1.00 0.00 C ATOM 83 O GLU A 9 -12.929 12.505 12.339 1.00 0.00 O ATOM 84 CB GLU A 9 -10.290 12.301 11.623 1.00 0.00 C ATOM 85 CG GLU A 9 -10.815 10.983 11.077 1.00 0.00 C ATOM 86 CD GLU A 9 -10.386 9.793 11.912 1.00 0.00 C ATOM 87 OE1 GLU A 9 -9.190 9.717 12.265 1.00 0.00 O ATOM 88 OE2 GLU A 9 -11.244 8.938 12.212 1.00 0.00 O ATOM 0 H GLU A 9 -9.687 14.673 12.205 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.256 13.456 10.089 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.252 12.425 11.314 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.295 12.261 12.712 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.904 11.019 11.035 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.461 10.851 10.055 1.00 0.00 H new ATOM 95 N ASP A 10 -13.076 14.707 11.903 1.00 0.00 N ATOM 96 CA ASP A 10 -14.382 14.857 12.535 1.00 0.00 C ATOM 97 C ASP A 10 -15.483 14.976 11.486 1.00 0.00 C ATOM 98 O ASP A 10 -16.505 14.294 11.564 1.00 0.00 O ATOM 99 CB ASP A 10 -14.392 16.085 13.446 1.00 0.00 C ATOM 100 CG ASP A 10 -13.910 15.770 14.848 1.00 0.00 C ATOM 101 OD1 ASP A 10 -12.839 15.141 14.980 1.00 0.00 O ATOM 102 OD2 ASP A 10 -14.602 16.153 15.814 1.00 0.00 O ATOM 0 H ASP A 10 -12.696 15.568 11.510 1.00 0.00 H new ATOM 0 HA ASP A 10 -14.573 13.967 13.135 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.759 16.860 13.013 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.403 16.489 13.495 1.00 0.00 H new ATOM 107 N SER A 11 -15.268 15.848 10.506 1.00 0.00 N ATOM 108 CA SER A 11 -16.245 16.061 9.445 1.00 0.00 C ATOM 109 C SER A 11 -15.605 15.871 8.072 1.00 0.00 C ATOM 110 O SER A 11 -15.780 16.695 7.174 1.00 0.00 O ATOM 111 CB SER A 11 -16.846 17.464 9.550 1.00 0.00 C ATOM 112 OG SER A 11 -17.691 17.573 10.682 1.00 0.00 O ATOM 0 H SER A 11 -14.426 16.418 10.425 1.00 0.00 H new ATOM 0 HA SER A 11 -17.039 15.324 9.562 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.046 18.202 9.617 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.412 17.689 8.646 1.00 0.00 H new ATOM 0 HG SER A 11 -18.061 18.479 10.728 1.00 0.00 H new ATOM 118 N LEU A 12 -14.864 14.779 7.918 1.00 0.00 N ATOM 119 CA LEU A 12 -14.197 14.479 6.656 1.00 0.00 C ATOM 120 C LEU A 12 -15.186 14.519 5.495 1.00 0.00 C ATOM 121 O LEU A 12 -16.399 14.499 5.700 1.00 0.00 O ATOM 122 CB LEU A 12 -13.528 13.105 6.724 1.00 0.00 C ATOM 123 CG LEU A 12 -12.180 13.050 7.443 1.00 0.00 C ATOM 124 CD1 LEU A 12 -11.864 11.627 7.878 1.00 0.00 C ATOM 125 CD2 LEU A 12 -11.076 13.594 6.549 1.00 0.00 C ATOM 0 H LEU A 12 -14.710 14.087 8.651 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.435 15.239 6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.210 12.415 7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.390 12.740 5.706 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.240 13.675 8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.901 11.608 8.388 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.641 11.273 8.556 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.824 10.979 7.002 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.124 13.547 7.077 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.016 12.996 5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.296 14.629 6.289 1.00 0.00 H new ATOM 137 N MET A 13 -14.658 14.574 4.277 1.00 0.00 N ATOM 138 CA MET A 13 -15.495 14.613 3.083 1.00 0.00 C ATOM 139 C MET A 13 -15.795 13.203 2.583 1.00 0.00 C ATOM 140 O MET A 13 -15.189 12.223 3.017 1.00 0.00 O ATOM 141 CB MET A 13 -14.810 15.422 1.980 1.00 0.00 C ATOM 142 CG MET A 13 -14.293 14.569 0.833 1.00 0.00 C ATOM 143 SD MET A 13 -13.398 15.533 -0.400 1.00 0.00 S ATOM 144 CE MET A 13 -12.868 16.933 0.583 1.00 0.00 C ATOM 0 H MET A 13 -13.655 14.593 4.090 1.00 0.00 H new ATOM 0 HA MET A 13 -16.437 15.095 3.346 1.00 0.00 H new ATOM 0 HB2 MET A 13 -15.515 16.155 1.588 1.00 0.00 H new ATOM 0 HB3 MET A 13 -13.978 15.978 2.412 1.00 0.00 H new ATOM 0 HG2 MET A 13 -13.637 13.794 1.229 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.132 14.063 0.355 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.170 17.539 0.006 1.00 0.00 H new ATOM 0 HE2 MET A 13 -13.734 17.536 0.854 1.00 0.00 H new ATOM 0 HE3 MET A 13 -12.377 16.577 1.488 1.00 0.00 H new ATOM 154 N PRO A 14 -16.753 13.096 1.650 1.00 0.00 N ATOM 155 CA PRO A 14 -17.154 11.811 1.072 1.00 0.00 C ATOM 156 C PRO A 14 -16.075 11.217 0.173 1.00 0.00 C ATOM 157 O PRO A 14 -14.936 11.682 0.166 1.00 0.00 O ATOM 158 CB PRO A 14 -18.398 12.164 0.252 1.00 0.00 C ATOM 159 CG PRO A 14 -18.235 13.606 -0.081 1.00 0.00 C ATOM 160 CD PRO A 14 -17.516 14.223 1.087 1.00 0.00 C ATOM 0 HA PRO A 14 -17.331 11.057 1.839 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.464 11.555 -0.649 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.311 11.990 0.822 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -17.664 13.732 -1.001 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.203 14.082 -0.239 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.861 15.035 0.772 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -18.213 14.640 1.814 1.00 0.00 H new ATOM 168 N GLU A 15 -16.442 10.187 -0.584 1.00 0.00 N ATOM 169 CA GLU A 15 -15.504 9.531 -1.487 1.00 0.00 C ATOM 170 C GLU A 15 -15.722 9.988 -2.926 1.00 0.00 C ATOM 171 O GLU A 15 -14.781 10.393 -3.608 1.00 0.00 O ATOM 172 CB GLU A 15 -15.653 8.011 -1.395 1.00 0.00 C ATOM 173 CG GLU A 15 -14.445 7.248 -1.914 1.00 0.00 C ATOM 174 CD GLU A 15 -14.767 5.805 -2.251 1.00 0.00 C ATOM 175 OE1 GLU A 15 -15.812 5.564 -2.891 1.00 0.00 O ATOM 176 OE2 GLU A 15 -13.975 4.917 -1.874 1.00 0.00 O ATOM 0 H GLU A 15 -17.381 9.790 -0.590 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.494 9.810 -1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.828 7.734 -0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.535 7.706 -1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.059 7.747 -2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.654 7.274 -1.165 1.00 0.00 H new ATOM 183 N GLU A 16 -16.969 9.920 -3.380 1.00 0.00 N ATOM 184 CA GLU A 16 -17.311 10.326 -4.739 1.00 0.00 C ATOM 185 C GLU A 16 -16.721 11.695 -5.061 1.00 0.00 C ATOM 186 O GLU A 16 -15.880 11.826 -5.950 1.00 0.00 O ATOM 187 CB GLU A 16 -18.830 10.357 -4.919 1.00 0.00 C ATOM 188 CG GLU A 16 -19.474 8.981 -4.894 1.00 0.00 C ATOM 189 CD GLU A 16 -19.191 8.182 -6.151 1.00 0.00 C ATOM 190 OE1 GLU A 16 -18.018 7.813 -6.367 1.00 0.00 O ATOM 191 OE2 GLU A 16 -20.142 7.925 -6.918 1.00 0.00 O ATOM 0 H GLU A 16 -17.759 9.588 -2.827 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.887 9.595 -5.427 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.268 10.968 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.065 10.842 -5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.110 8.429 -4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.552 9.090 -4.772 1.00 0.00 H new ATOM 198 N GLU A 17 -17.169 12.713 -4.333 1.00 0.00 N ATOM 199 CA GLU A 17 -16.686 14.073 -4.543 1.00 0.00 C ATOM 200 C GLU A 17 -15.163 14.128 -4.462 1.00 0.00 C ATOM 201 O GLU A 17 -14.504 14.688 -5.338 1.00 0.00 O ATOM 202 CB GLU A 17 -17.297 15.020 -3.508 1.00 0.00 C ATOM 203 CG GLU A 17 -18.816 14.985 -3.474 1.00 0.00 C ATOM 204 CD GLU A 17 -19.440 15.466 -4.769 1.00 0.00 C ATOM 205 OE1 GLU A 17 -19.688 16.685 -4.891 1.00 0.00 O ATOM 206 OE2 GLU A 17 -19.682 14.626 -5.660 1.00 0.00 O ATOM 0 H GLU A 17 -17.865 12.622 -3.593 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.991 14.390 -5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.914 14.762 -2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.970 16.038 -3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.148 13.967 -3.272 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.172 15.605 -2.651 1.00 0.00 H new ATOM 213 N PHE A 18 -14.611 13.544 -3.404 1.00 0.00 N ATOM 214 CA PHE A 18 -13.166 13.527 -3.207 1.00 0.00 C ATOM 215 C PHE A 18 -12.437 13.381 -4.540 1.00 0.00 C ATOM 216 O PHE A 18 -11.663 14.254 -4.936 1.00 0.00 O ATOM 217 CB PHE A 18 -12.771 12.385 -2.269 1.00 0.00 C ATOM 218 CG PHE A 18 -11.295 12.315 -1.998 1.00 0.00 C ATOM 219 CD1 PHE A 18 -10.646 13.355 -1.353 1.00 0.00 C ATOM 220 CD2 PHE A 18 -10.558 11.209 -2.388 1.00 0.00 C ATOM 221 CE1 PHE A 18 -9.288 13.294 -1.104 1.00 0.00 C ATOM 222 CE2 PHE A 18 -9.199 11.142 -2.141 1.00 0.00 C ATOM 223 CZ PHE A 18 -8.564 12.185 -1.497 1.00 0.00 C ATOM 0 H PHE A 18 -15.142 13.076 -2.670 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.875 14.475 -2.756 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -13.301 12.502 -1.324 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -13.098 11.440 -2.702 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.208 14.223 -1.041 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.050 10.390 -2.891 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.793 14.113 -0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.635 10.275 -2.452 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.503 12.134 -1.301 1.00 0.00 H new ATOM 233 N LEU A 19 -12.689 12.272 -5.226 1.00 0.00 N ATOM 234 CA LEU A 19 -12.057 12.010 -6.515 1.00 0.00 C ATOM 235 C LEU A 19 -12.171 13.222 -7.434 1.00 0.00 C ATOM 236 O LEU A 19 -11.254 13.521 -8.199 1.00 0.00 O ATOM 237 CB LEU A 19 -12.697 10.789 -7.180 1.00 0.00 C ATOM 238 CG LEU A 19 -12.673 9.493 -6.368 1.00 0.00 C ATOM 239 CD1 LEU A 19 -13.513 8.423 -7.047 1.00 0.00 C ATOM 240 CD2 LEU A 19 -11.242 9.010 -6.178 1.00 0.00 C ATOM 0 H LEU A 19 -13.326 11.540 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.000 11.809 -6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.734 11.029 -7.413 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.191 10.610 -8.128 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.101 9.693 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.484 7.508 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.543 8.768 -7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.114 8.224 -8.042 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.243 8.087 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.788 8.826 -7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.669 9.771 -5.648 1.00 0.00 H new ATOM 252 N ARG A 20 -13.301 13.916 -7.352 1.00 0.00 N ATOM 253 CA ARG A 20 -13.534 15.097 -8.175 1.00 0.00 C ATOM 254 C ARG A 20 -12.535 16.200 -7.839 1.00 0.00 C ATOM 255 O ARG A 20 -12.081 16.930 -8.720 1.00 0.00 O ATOM 256 CB ARG A 20 -14.962 15.609 -7.978 1.00 0.00 C ATOM 257 CG ARG A 20 -16.021 14.528 -8.120 1.00 0.00 C ATOM 258 CD ARG A 20 -16.095 14.004 -9.545 1.00 0.00 C ATOM 259 NE ARG A 20 -17.040 14.763 -10.359 1.00 0.00 N ATOM 260 CZ ARG A 20 -18.343 14.512 -10.400 1.00 0.00 C ATOM 261 NH1 ARG A 20 -18.854 13.525 -9.676 1.00 0.00 N ATOM 262 NH2 ARG A 20 -19.139 15.247 -11.166 1.00 0.00 N ATOM 0 H ARG A 20 -14.070 13.681 -6.724 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.398 14.814 -9.219 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.044 16.059 -6.989 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.160 16.397 -8.704 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.797 13.706 -7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.992 14.928 -7.827 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.106 14.051 -10.000 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.390 12.955 -9.531 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.679 15.529 -10.928 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.246 12.957 -9.086 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.855 13.334 -9.709 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.750 16.007 -11.725 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -20.140 15.052 -11.196 1.00 0.00 H new ATOM 276 N ARG A 21 -12.199 16.316 -6.558 1.00 0.00 N ATOM 277 CA ARG A 21 -11.256 17.332 -6.105 1.00 0.00 C ATOM 278 C ARG A 21 -9.834 16.984 -6.536 1.00 0.00 C ATOM 279 O ARG A 21 -9.108 17.830 -7.057 1.00 0.00 O ATOM 280 CB ARG A 21 -11.318 17.474 -4.583 1.00 0.00 C ATOM 281 CG ARG A 21 -12.360 18.473 -4.108 1.00 0.00 C ATOM 282 CD ARG A 21 -12.576 18.380 -2.605 1.00 0.00 C ATOM 283 NE ARG A 21 -13.884 18.894 -2.207 1.00 0.00 N ATOM 284 CZ ARG A 21 -14.149 20.186 -2.053 1.00 0.00 C ATOM 285 NH1 ARG A 21 -13.203 21.091 -2.263 1.00 0.00 N ATOM 286 NH2 ARG A 21 -15.364 20.576 -1.689 1.00 0.00 N ATOM 0 H ARG A 21 -12.565 15.720 -5.816 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.535 18.281 -6.563 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.534 16.500 -4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.339 17.780 -4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.043 19.483 -4.369 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.303 18.291 -4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.483 17.341 -2.289 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.795 18.940 -2.091 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.635 18.224 -2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.268 20.796 -2.544 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.410 22.083 -2.144 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.095 19.883 -1.527 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.567 21.569 -1.571 1.00 0.00 H new ATOM 300 N ASN A 22 -9.443 15.733 -6.314 1.00 0.00 N ATOM 301 CA ASN A 22 -8.107 15.273 -6.678 1.00 0.00 C ATOM 302 C ASN A 22 -8.166 13.899 -7.339 1.00 0.00 C ATOM 303 O ASN A 22 -9.027 13.079 -7.017 1.00 0.00 O ATOM 304 CB ASN A 22 -7.209 15.218 -5.441 1.00 0.00 C ATOM 305 CG ASN A 22 -7.964 14.792 -4.197 1.00 0.00 C ATOM 306 OD1 ASN A 22 -7.942 15.481 -3.177 1.00 0.00 O ATOM 307 ND2 ASN A 22 -8.638 13.650 -4.276 1.00 0.00 N ATOM 0 H ASN A 22 -10.032 15.020 -5.884 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.688 15.982 -7.392 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.389 14.523 -5.621 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.764 16.199 -5.275 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.165 13.312 -3.471 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.628 13.111 -5.142 1.00 0.00 H new ATOM 314 N LYS A 23 -7.245 13.654 -8.265 1.00 0.00 N ATOM 315 CA LYS A 23 -7.189 12.380 -8.970 1.00 0.00 C ATOM 316 C LYS A 23 -5.838 11.703 -8.766 1.00 0.00 C ATOM 317 O LYS A 23 -5.759 10.485 -8.612 1.00 0.00 O ATOM 318 CB LYS A 23 -7.446 12.589 -10.465 1.00 0.00 C ATOM 319 CG LYS A 23 -8.917 12.732 -10.815 1.00 0.00 C ATOM 320 CD LYS A 23 -9.105 13.388 -12.172 1.00 0.00 C ATOM 321 CE LYS A 23 -10.568 13.397 -12.589 1.00 0.00 C ATOM 322 NZ LYS A 23 -11.061 12.029 -12.910 1.00 0.00 N ATOM 0 H LYS A 23 -6.527 14.322 -8.544 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.965 11.733 -8.561 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.914 13.481 -10.795 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.030 11.747 -11.018 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.389 11.749 -10.816 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.418 13.325 -10.050 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.729 14.411 -12.138 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.516 12.856 -12.919 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.172 13.822 -11.787 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.694 14.042 -13.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.987 12.095 -13.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.385 11.556 -13.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.157 11.480 -12.032 1.00 0.00 H new ATOM 336 N GLY A 24 -4.775 12.502 -8.764 1.00 0.00 N ATOM 337 CA GLY A 24 -3.441 11.962 -8.576 1.00 0.00 C ATOM 338 C GLY A 24 -2.605 12.030 -9.839 1.00 0.00 C ATOM 339 O GLY A 24 -2.901 12.784 -10.766 1.00 0.00 O ATOM 0 H GLY A 24 -4.814 13.514 -8.889 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.938 12.513 -7.781 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.515 10.925 -8.248 1.00 0.00 H new ATOM 343 N PRO A 25 -1.531 11.227 -9.886 1.00 0.00 N ATOM 344 CA PRO A 25 -1.168 10.326 -8.788 1.00 0.00 C ATOM 345 C PRO A 25 -0.673 11.080 -7.559 1.00 0.00 C ATOM 346 O PRO A 25 -0.224 12.222 -7.657 1.00 0.00 O ATOM 347 CB PRO A 25 -0.042 9.477 -9.384 1.00 0.00 C ATOM 348 CG PRO A 25 0.548 10.328 -10.455 1.00 0.00 C ATOM 349 CD PRO A 25 -0.589 11.139 -11.014 1.00 0.00 C ATOM 0 HA PRO A 25 -2.021 9.744 -8.439 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.701 9.219 -8.629 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.424 8.540 -9.789 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.328 10.975 -10.054 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.009 9.716 -11.230 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.258 12.125 -11.339 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.042 10.654 -11.879 1.00 0.00 H new ATOM 357 N VAL A 26 -0.757 10.433 -6.400 1.00 0.00 N ATOM 358 CA VAL A 26 -0.316 11.042 -5.151 1.00 0.00 C ATOM 359 C VAL A 26 0.991 10.422 -4.669 1.00 0.00 C ATOM 360 O VAL A 26 1.130 9.200 -4.623 1.00 0.00 O ATOM 361 CB VAL A 26 -1.380 10.893 -4.048 1.00 0.00 C ATOM 362 CG1 VAL A 26 -2.650 11.639 -4.426 1.00 0.00 C ATOM 363 CG2 VAL A 26 -1.673 9.423 -3.785 1.00 0.00 C ATOM 0 H VAL A 26 -1.126 9.487 -6.301 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.159 12.102 -5.353 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.990 11.332 -3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.390 11.522 -3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.425 12.697 -4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.047 11.233 -5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.427 9.337 -3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.042 8.957 -4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.760 8.921 -3.465 1.00 0.00 H new ATOM 373 N SER A 27 1.947 11.273 -4.310 1.00 0.00 N ATOM 374 CA SER A 27 3.245 10.809 -3.834 1.00 0.00 C ATOM 375 C SER A 27 3.266 10.724 -2.311 1.00 0.00 C ATOM 376 O SER A 27 2.997 11.707 -1.620 1.00 0.00 O ATOM 377 CB SER A 27 4.354 11.745 -4.319 1.00 0.00 C ATOM 378 OG SER A 27 5.576 11.474 -3.656 1.00 0.00 O ATOM 0 H SER A 27 1.847 12.288 -4.340 1.00 0.00 H new ATOM 0 HA SER A 27 3.418 9.812 -4.239 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.487 11.630 -5.395 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.063 12.781 -4.143 1.00 0.00 H new ATOM 0 HG SER A 27 6.269 12.084 -3.985 1.00 0.00 H new ATOM 384 N ILE A 28 3.587 9.542 -1.795 1.00 0.00 N ATOM 385 CA ILE A 28 3.644 9.328 -0.355 1.00 0.00 C ATOM 386 C ILE A 28 5.026 8.846 0.075 1.00 0.00 C ATOM 387 O ILE A 28 5.674 8.075 -0.633 1.00 0.00 O ATOM 388 CB ILE A 28 2.590 8.304 0.105 1.00 0.00 C ATOM 389 CG1 ILE A 28 2.851 6.944 -0.545 1.00 0.00 C ATOM 390 CG2 ILE A 28 1.190 8.797 -0.232 1.00 0.00 C ATOM 391 CD1 ILE A 28 2.167 5.795 0.162 1.00 0.00 C ATOM 0 H ILE A 28 3.811 8.718 -2.353 1.00 0.00 H new ATOM 0 HA ILE A 28 3.434 10.289 0.115 1.00 0.00 H new ATOM 0 HB ILE A 28 2.664 8.190 1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.514 6.975 -1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.925 6.760 -0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.456 8.062 0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.007 9.746 0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.103 8.936 -1.310 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.396 4.862 -0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.522 5.738 1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.089 5.956 0.159 1.00 0.00 H new ATOM 403 N LYS A 29 5.470 9.305 1.240 1.00 0.00 N ATOM 404 CA LYS A 29 6.774 8.919 1.767 1.00 0.00 C ATOM 405 C LYS A 29 6.623 7.952 2.937 1.00 0.00 C ATOM 406 O LYS A 29 6.029 8.288 3.961 1.00 0.00 O ATOM 407 CB LYS A 29 7.553 10.158 2.214 1.00 0.00 C ATOM 408 CG LYS A 29 9.060 10.004 2.097 1.00 0.00 C ATOM 409 CD LYS A 29 9.793 11.082 2.878 1.00 0.00 C ATOM 410 CE LYS A 29 10.033 12.320 2.028 1.00 0.00 C ATOM 411 NZ LYS A 29 10.958 13.279 2.693 1.00 0.00 N ATOM 0 H LYS A 29 4.946 9.945 1.837 1.00 0.00 H new ATOM 0 HA LYS A 29 7.326 8.417 0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.236 11.012 1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.298 10.383 3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.356 9.022 2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.351 10.052 1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.213 11.352 3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.747 10.691 3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.448 12.024 1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.082 12.813 1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.096 14.109 2.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.551 13.581 3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.874 12.817 2.861 1.00 0.00 H new ATOM 425 N VAL A 30 7.166 6.749 2.777 1.00 0.00 N ATOM 426 CA VAL A 30 7.093 5.733 3.821 1.00 0.00 C ATOM 427 C VAL A 30 8.307 5.804 4.741 1.00 0.00 C ATOM 428 O VAL A 30 9.414 5.434 4.353 1.00 0.00 O ATOM 429 CB VAL A 30 7.000 4.317 3.221 1.00 0.00 C ATOM 430 CG1 VAL A 30 6.999 3.269 4.323 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.758 4.189 2.351 1.00 0.00 C ATOM 0 H VAL A 30 7.661 6.454 1.935 1.00 0.00 H new ATOM 0 HA VAL A 30 6.190 5.935 4.398 1.00 0.00 H new ATOM 0 HB VAL A 30 7.875 4.148 2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.933 2.275 3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.920 3.348 4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.144 3.432 4.979 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.707 3.183 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.870 4.377 2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.806 4.915 1.540 1.00 0.00 H new ATOM 441 N GLN A 31 8.089 6.281 5.963 1.00 0.00 N ATOM 442 CA GLN A 31 9.166 6.400 6.939 1.00 0.00 C ATOM 443 C GLN A 31 9.561 5.031 7.483 1.00 0.00 C ATOM 444 O GLN A 31 8.884 4.476 8.349 1.00 0.00 O ATOM 445 CB GLN A 31 8.741 7.315 8.088 1.00 0.00 C ATOM 446 CG GLN A 31 9.911 7.915 8.852 1.00 0.00 C ATOM 447 CD GLN A 31 10.684 6.879 9.644 1.00 0.00 C ATOM 448 OE1 GLN A 31 10.099 6.060 10.354 1.00 0.00 O ATOM 449 NE2 GLN A 31 12.006 6.908 9.525 1.00 0.00 N ATOM 0 H GLN A 31 7.178 6.591 6.300 1.00 0.00 H new ATOM 0 HA GLN A 31 10.031 6.835 6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.125 8.122 7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.117 6.749 8.780 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.584 8.407 8.150 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.541 8.684 9.531 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.449 7.604 8.925 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.579 6.234 10.033 1.00 0.00 H new ATOM 458 N VAL A 32 10.662 4.491 6.969 1.00 0.00 N ATOM 459 CA VAL A 32 11.148 3.187 7.404 1.00 0.00 C ATOM 460 C VAL A 32 12.066 3.318 8.613 1.00 0.00 C ATOM 461 O VAL A 32 13.117 3.959 8.560 1.00 0.00 O ATOM 462 CB VAL A 32 11.906 2.465 6.274 1.00 0.00 C ATOM 463 CG1 VAL A 32 12.341 1.079 6.723 1.00 0.00 C ATOM 464 CG2 VAL A 32 11.044 2.383 5.023 1.00 0.00 C ATOM 0 H VAL A 32 11.234 4.936 6.251 1.00 0.00 H new ATOM 0 HA VAL A 32 10.272 2.599 7.678 1.00 0.00 H new ATOM 0 HB VAL A 32 12.800 3.040 6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.875 0.584 5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.997 1.166 7.589 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.463 0.491 6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.595 1.870 4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.131 1.831 5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.788 3.389 4.691 1.00 0.00 H new ATOM 474 N PRO A 33 11.664 2.697 9.732 1.00 0.00 N ATOM 475 CA PRO A 33 12.437 2.729 10.977 1.00 0.00 C ATOM 476 C PRO A 33 13.729 1.925 10.878 1.00 0.00 C ATOM 477 O PRO A 33 14.017 1.321 9.846 1.00 0.00 O ATOM 478 CB PRO A 33 11.490 2.097 11.999 1.00 0.00 C ATOM 479 CG PRO A 33 10.589 1.226 11.193 1.00 0.00 C ATOM 480 CD PRO A 33 10.423 1.916 9.868 1.00 0.00 C ATOM 0 HA PRO A 33 12.751 3.740 11.236 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.039 1.519 12.742 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.926 2.857 12.539 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.019 0.233 11.065 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.627 1.095 11.688 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.307 1.200 9.054 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.542 2.557 9.856 1.00 0.00 H new ATOM 488 N ASN A 34 14.502 1.921 11.959 1.00 0.00 N ATOM 489 CA ASN A 34 15.764 1.190 11.993 1.00 0.00 C ATOM 490 C ASN A 34 15.779 0.185 13.141 1.00 0.00 C ATOM 491 O ASN A 34 16.081 0.534 14.281 1.00 0.00 O ATOM 492 CB ASN A 34 16.937 2.162 12.136 1.00 0.00 C ATOM 493 CG ASN A 34 18.150 1.514 12.775 1.00 0.00 C ATOM 494 OD1 ASN A 34 18.392 1.668 13.972 1.00 0.00 O ATOM 495 ND2 ASN A 34 18.920 0.783 11.976 1.00 0.00 N ATOM 0 H ASN A 34 14.277 2.415 12.822 1.00 0.00 H new ATOM 0 HA ASN A 34 15.865 0.645 11.054 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.209 2.546 11.153 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.626 3.017 12.737 1.00 0.00 H new ATOM 0 HD21 ASN A 34 19.750 0.322 12.349 1.00 0.00 H new ATOM 0 HD22 ASN A 34 18.681 0.683 10.989 1.00 0.00 H new ATOM 502 N MET A 35 15.451 -1.065 12.830 1.00 0.00 N ATOM 503 CA MET A 35 15.429 -2.122 13.835 1.00 0.00 C ATOM 504 C MET A 35 16.811 -2.747 13.997 1.00 0.00 C ATOM 505 O MET A 35 17.198 -3.625 13.226 1.00 0.00 O ATOM 506 CB MET A 35 14.411 -3.198 13.453 1.00 0.00 C ATOM 507 CG MET A 35 13.013 -2.928 13.986 1.00 0.00 C ATOM 508 SD MET A 35 12.917 -3.062 15.782 1.00 0.00 S ATOM 509 CE MET A 35 11.282 -2.398 16.084 1.00 0.00 C ATOM 0 H MET A 35 15.197 -1.371 11.891 1.00 0.00 H new ATOM 0 HA MET A 35 15.137 -1.678 14.787 1.00 0.00 H new ATOM 0 HB2 MET A 35 14.368 -3.277 12.367 1.00 0.00 H new ATOM 0 HB3 MET A 35 14.755 -4.162 13.829 1.00 0.00 H new ATOM 0 HG2 MET A 35 12.699 -1.929 13.683 1.00 0.00 H new ATOM 0 HG3 MET A 35 12.314 -3.632 13.535 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.982 -2.622 17.108 1.00 0.00 H new ATOM 0 HE2 MET A 35 11.295 -1.318 15.938 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.572 -2.849 15.391 1.00 0.00 H new ATOM 519 N GLN A 36 17.549 -2.290 15.003 1.00 0.00 N ATOM 520 CA GLN A 36 18.888 -2.805 15.263 1.00 0.00 C ATOM 521 C GLN A 36 18.833 -4.027 16.174 1.00 0.00 C ATOM 522 O GLN A 36 19.554 -5.002 15.965 1.00 0.00 O ATOM 523 CB GLN A 36 19.760 -1.720 15.897 1.00 0.00 C ATOM 524 CG GLN A 36 18.975 -0.712 16.721 1.00 0.00 C ATOM 525 CD GLN A 36 19.815 -0.061 17.802 1.00 0.00 C ATOM 526 OE1 GLN A 36 19.686 -0.384 18.983 1.00 0.00 O ATOM 527 NE2 GLN A 36 20.681 0.863 17.403 1.00 0.00 N ATOM 0 H GLN A 36 17.243 -1.564 15.651 1.00 0.00 H new ATOM 0 HA GLN A 36 19.327 -3.104 14.311 1.00 0.00 H new ATOM 0 HB2 GLN A 36 20.508 -2.193 16.533 1.00 0.00 H new ATOM 0 HB3 GLN A 36 20.298 -1.192 15.110 1.00 0.00 H new ATOM 0 HG2 GLN A 36 18.577 0.059 16.062 1.00 0.00 H new ATOM 0 HG3 GLN A 36 18.121 -1.210 17.180 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.755 1.100 16.414 1.00 0.00 H new ATOM 0 HE22 GLN A 36 21.273 1.336 18.086 1.00 0.00 H new ATOM 536 N ASP A 37 17.974 -3.966 17.186 1.00 0.00 N ATOM 537 CA ASP A 37 17.825 -5.068 18.129 1.00 0.00 C ATOM 538 C ASP A 37 17.672 -6.396 17.394 1.00 0.00 C ATOM 539 O ASP A 37 18.565 -7.243 17.426 1.00 0.00 O ATOM 540 CB ASP A 37 16.616 -4.831 19.036 1.00 0.00 C ATOM 541 CG ASP A 37 16.455 -5.917 20.082 1.00 0.00 C ATOM 542 OD1 ASP A 37 16.875 -7.063 19.817 1.00 0.00 O ATOM 543 OD2 ASP A 37 15.911 -5.620 21.165 1.00 0.00 O ATOM 0 H ASP A 37 17.371 -3.165 17.374 1.00 0.00 H new ATOM 0 HA ASP A 37 18.726 -5.114 18.741 1.00 0.00 H new ATOM 0 HB2 ASP A 37 16.721 -3.866 19.532 1.00 0.00 H new ATOM 0 HB3 ASP A 37 15.713 -4.780 18.427 1.00 0.00 H new ATOM 548 N LYS A 38 16.534 -6.572 16.731 1.00 0.00 N ATOM 549 CA LYS A 38 16.262 -7.796 15.987 1.00 0.00 C ATOM 550 C LYS A 38 14.948 -7.687 15.221 1.00 0.00 C ATOM 551 O LYS A 38 13.963 -7.149 15.729 1.00 0.00 O ATOM 552 CB LYS A 38 16.213 -8.995 16.937 1.00 0.00 C ATOM 553 CG LYS A 38 15.030 -8.967 17.890 1.00 0.00 C ATOM 554 CD LYS A 38 13.832 -9.702 17.313 1.00 0.00 C ATOM 555 CE LYS A 38 12.703 -9.809 18.327 1.00 0.00 C ATOM 556 NZ LYS A 38 12.025 -8.500 18.543 1.00 0.00 N ATOM 0 H LYS A 38 15.784 -5.881 16.694 1.00 0.00 H new ATOM 0 HA LYS A 38 17.069 -7.942 15.269 1.00 0.00 H new ATOM 0 HB2 LYS A 38 16.174 -9.912 16.349 1.00 0.00 H new ATOM 0 HB3 LYS A 38 17.135 -9.027 17.517 1.00 0.00 H new ATOM 0 HG2 LYS A 38 15.315 -9.422 18.839 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.756 -7.933 18.102 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.477 -9.180 16.425 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.134 -10.700 16.996 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.974 -10.543 17.983 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.099 -10.173 19.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.262 -8.615 19.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.715 -7.806 18.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.624 -8.164 17.644 1.00 0.00 H new ATOM 570 N THR A 39 14.938 -8.202 13.995 1.00 0.00 N ATOM 571 CA THR A 39 13.745 -8.162 13.159 1.00 0.00 C ATOM 572 C THR A 39 13.963 -8.918 11.853 1.00 0.00 C ATOM 573 O THR A 39 15.098 -9.107 11.418 1.00 0.00 O ATOM 574 CB THR A 39 13.331 -6.714 12.838 1.00 0.00 C ATOM 575 OG1 THR A 39 12.056 -6.701 12.186 1.00 0.00 O ATOM 576 CG2 THR A 39 14.367 -6.039 11.952 1.00 0.00 C ATOM 0 H THR A 39 15.743 -8.652 13.559 1.00 0.00 H new ATOM 0 HA THR A 39 12.947 -8.642 13.725 1.00 0.00 H new ATOM 0 HB THR A 39 13.264 -6.163 13.776 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.745 -5.776 12.093 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.053 -5.017 11.739 1.00 0.00 H new ATOM 0 HG22 THR A 39 15.329 -6.023 12.464 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.462 -6.592 11.018 1.00 0.00 H new ATOM 584 N GLU A 40 12.868 -9.346 11.232 1.00 0.00 N ATOM 585 CA GLU A 40 12.942 -10.081 9.975 1.00 0.00 C ATOM 586 C GLU A 40 12.467 -9.216 8.811 1.00 0.00 C ATOM 587 O GLU A 40 11.735 -9.681 7.937 1.00 0.00 O ATOM 588 CB GLU A 40 12.101 -11.356 10.054 1.00 0.00 C ATOM 589 CG GLU A 40 10.646 -11.104 10.415 1.00 0.00 C ATOM 590 CD GLU A 40 9.791 -12.351 10.293 1.00 0.00 C ATOM 591 OE1 GLU A 40 9.919 -13.061 9.274 1.00 0.00 O ATOM 592 OE2 GLU A 40 8.993 -12.615 11.216 1.00 0.00 O ATOM 0 H GLU A 40 11.920 -9.196 11.579 1.00 0.00 H new ATOM 0 HA GLU A 40 13.984 -10.352 9.802 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.145 -11.870 9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.540 -12.025 10.794 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.589 -10.727 11.436 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.244 -10.327 9.765 1.00 0.00 H new ATOM 599 N TRP A 41 12.887 -7.956 8.807 1.00 0.00 N ATOM 600 CA TRP A 41 12.505 -7.026 7.751 1.00 0.00 C ATOM 601 C TRP A 41 13.671 -6.118 7.377 1.00 0.00 C ATOM 602 O TRP A 41 14.731 -6.162 8.001 1.00 0.00 O ATOM 603 CB TRP A 41 11.308 -6.184 8.194 1.00 0.00 C ATOM 604 CG TRP A 41 10.198 -6.996 8.791 1.00 0.00 C ATOM 605 CD1 TRP A 41 9.635 -8.124 8.267 1.00 0.00 C ATOM 606 CD2 TRP A 41 9.518 -6.741 10.025 1.00 0.00 C ATOM 607 NE1 TRP A 41 8.645 -8.585 9.101 1.00 0.00 N ATOM 608 CE2 TRP A 41 8.554 -7.755 10.186 1.00 0.00 C ATOM 609 CE3 TRP A 41 9.630 -5.756 11.010 1.00 0.00 C ATOM 610 CZ2 TRP A 41 7.709 -7.810 11.292 1.00 0.00 C ATOM 611 CZ3 TRP A 41 8.791 -5.811 12.106 1.00 0.00 C ATOM 612 CH2 TRP A 41 7.841 -6.832 12.241 1.00 0.00 C ATOM 0 H TRP A 41 13.492 -7.555 9.523 1.00 0.00 H new ATOM 0 HA TRP A 41 12.226 -7.607 6.872 1.00 0.00 H new ATOM 0 HB2 TRP A 41 11.642 -5.447 8.924 1.00 0.00 H new ATOM 0 HB3 TRP A 41 10.924 -5.632 7.336 1.00 0.00 H new ATOM 0 HD1 TRP A 41 9.925 -8.586 7.335 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.071 -9.412 8.938 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.360 -4.966 10.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 6.976 -8.596 11.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.869 -5.054 12.872 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.200 -6.848 13.110 1.00 0.00 H new ATOM 623 N LYS A 42 13.469 -5.294 6.354 1.00 0.00 N ATOM 624 CA LYS A 42 14.503 -4.373 5.897 1.00 0.00 C ATOM 625 C LYS A 42 14.325 -2.997 6.531 1.00 0.00 C ATOM 626 O LYS A 42 13.862 -2.058 5.882 1.00 0.00 O ATOM 627 CB LYS A 42 14.468 -4.251 4.372 1.00 0.00 C ATOM 628 CG LYS A 42 14.878 -5.524 3.651 1.00 0.00 C ATOM 629 CD LYS A 42 15.521 -5.221 2.307 1.00 0.00 C ATOM 630 CE LYS A 42 16.493 -6.316 1.896 1.00 0.00 C ATOM 631 NZ LYS A 42 15.787 -7.566 1.503 1.00 0.00 N ATOM 0 H LYS A 42 12.598 -5.245 5.825 1.00 0.00 H new ATOM 0 HA LYS A 42 15.470 -4.772 6.202 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.460 -3.975 4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.129 -3.440 4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 42 15.576 -6.086 4.271 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.003 -6.157 3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.747 -5.116 1.547 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.046 -4.267 2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 42 17.103 -5.966 1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 42 17.172 -6.527 2.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.485 -8.287 1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.225 -7.914 2.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.158 -7.371 0.698 1.00 0.00 H new ATOM 645 N LEU A 43 14.697 -2.884 7.802 1.00 0.00 N ATOM 646 CA LEU A 43 14.580 -1.622 8.523 1.00 0.00 C ATOM 647 C LEU A 43 15.956 -1.061 8.867 1.00 0.00 C ATOM 648 O LEU A 43 16.596 -1.502 9.821 1.00 0.00 O ATOM 649 CB LEU A 43 13.762 -1.816 9.802 1.00 0.00 C ATOM 650 CG LEU A 43 12.462 -2.608 9.653 1.00 0.00 C ATOM 651 CD1 LEU A 43 11.767 -2.749 10.998 1.00 0.00 C ATOM 652 CD2 LEU A 43 11.543 -1.937 8.643 1.00 0.00 C ATOM 0 H LEU A 43 15.082 -3.651 8.354 1.00 0.00 H new ATOM 0 HA LEU A 43 14.069 -0.909 7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.389 -2.320 10.538 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.521 -0.834 10.208 1.00 0.00 H new ATOM 0 HG LEU A 43 12.705 -3.605 9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.844 -3.315 10.873 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.423 -3.273 11.693 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.535 -1.760 11.393 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.623 -2.514 8.549 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.306 -0.928 8.981 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.041 -1.888 7.675 1.00 0.00 H new ATOM 664 N ASN A 44 16.405 -0.086 8.083 1.00 0.00 N ATOM 665 CA ASN A 44 17.706 0.536 8.306 1.00 0.00 C ATOM 666 C ASN A 44 17.607 2.054 8.200 1.00 0.00 C ATOM 667 O ASN A 44 18.405 2.692 7.514 1.00 0.00 O ATOM 668 CB ASN A 44 18.726 0.008 7.295 1.00 0.00 C ATOM 669 CG ASN A 44 19.179 -1.404 7.615 1.00 0.00 C ATOM 670 OD1 ASN A 44 18.969 -2.328 6.829 1.00 0.00 O ATOM 671 ND2 ASN A 44 19.804 -1.577 8.774 1.00 0.00 N ATOM 0 H ASN A 44 15.888 0.290 7.288 1.00 0.00 H new ATOM 0 HA ASN A 44 18.037 0.280 9.313 1.00 0.00 H new ATOM 0 HB2 ASN A 44 18.289 0.029 6.297 1.00 0.00 H new ATOM 0 HB3 ASN A 44 19.592 0.669 7.277 1.00 0.00 H new ATOM 0 HD21 ASN A 44 20.132 -2.505 9.043 1.00 0.00 H new ATOM 0 HD22 ASN A 44 19.957 -0.782 9.395 1.00 0.00 H new ATOM 678 N GLY A 45 16.623 2.628 8.885 1.00 0.00 N ATOM 679 CA GLY A 45 16.438 4.067 8.855 1.00 0.00 C ATOM 680 C GLY A 45 16.518 4.633 7.452 1.00 0.00 C ATOM 681 O GLY A 45 17.591 5.023 6.994 1.00 0.00 O ATOM 0 H GLY A 45 15.950 2.122 9.461 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.469 4.315 9.289 1.00 0.00 H new ATOM 0 HA3 GLY A 45 17.196 4.541 9.478 1.00 0.00 H new ATOM 685 N GLN A 46 15.379 4.675 6.767 1.00 0.00 N ATOM 686 CA GLN A 46 15.326 5.195 5.406 1.00 0.00 C ATOM 687 C GLN A 46 13.903 5.599 5.032 1.00 0.00 C ATOM 688 O GLN A 46 12.997 5.555 5.863 1.00 0.00 O ATOM 689 CB GLN A 46 15.848 4.151 4.417 1.00 0.00 C ATOM 690 CG GLN A 46 15.036 2.866 4.404 1.00 0.00 C ATOM 691 CD GLN A 46 15.735 1.741 3.667 1.00 0.00 C ATOM 692 OE1 GLN A 46 16.895 1.868 3.274 1.00 0.00 O ATOM 693 NE2 GLN A 46 15.032 0.631 3.477 1.00 0.00 N ATOM 0 H GLN A 46 14.482 4.355 7.132 1.00 0.00 H new ATOM 0 HA GLN A 46 15.960 6.080 5.358 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.849 4.580 3.415 1.00 0.00 H new ATOM 0 HB3 GLN A 46 16.883 3.914 4.664 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.838 2.555 5.430 1.00 0.00 H new ATOM 0 HG3 GLN A 46 14.070 3.056 3.937 1.00 0.00 H new ATOM 0 HE21 GLN A 46 14.073 0.570 3.820 1.00 0.00 H new ATOM 0 HE22 GLN A 46 15.451 -0.160 2.988 1.00 0.00 H new ATOM 702 N GLY A 47 13.715 5.993 3.776 1.00 0.00 N ATOM 703 CA GLY A 47 12.401 6.399 3.315 1.00 0.00 C ATOM 704 C GLY A 47 12.084 5.873 1.930 1.00 0.00 C ATOM 705 O GLY A 47 12.903 5.978 1.015 1.00 0.00 O ATOM 0 H GLY A 47 14.450 6.038 3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.647 6.043 4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.342 7.487 3.309 1.00 0.00 H new ATOM 709 N LEU A 48 10.894 5.304 1.772 1.00 0.00 N ATOM 710 CA LEU A 48 10.471 4.757 0.488 1.00 0.00 C ATOM 711 C LEU A 48 9.285 5.536 -0.072 1.00 0.00 C ATOM 712 O LEU A 48 8.215 5.578 0.535 1.00 0.00 O ATOM 713 CB LEU A 48 10.101 3.280 0.637 1.00 0.00 C ATOM 714 CG LEU A 48 11.155 2.387 1.293 1.00 0.00 C ATOM 715 CD1 LEU A 48 10.606 0.986 1.512 1.00 0.00 C ATOM 716 CD2 LEU A 48 12.418 2.341 0.445 1.00 0.00 C ATOM 0 H LEU A 48 10.205 5.209 2.518 1.00 0.00 H new ATOM 0 HA LEU A 48 11.304 4.848 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.183 3.213 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.880 2.880 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 48 11.409 2.811 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.370 0.365 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.731 1.035 2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.323 0.552 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.157 1.701 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.180 1.941 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.823 3.348 0.340 1.00 0.00 H new ATOM 728 N VAL A 49 9.483 6.151 -1.234 1.00 0.00 N ATOM 729 CA VAL A 49 8.429 6.926 -1.877 1.00 0.00 C ATOM 730 C VAL A 49 7.839 6.172 -3.064 1.00 0.00 C ATOM 731 O VAL A 49 8.561 5.528 -3.826 1.00 0.00 O ATOM 732 CB VAL A 49 8.951 8.292 -2.360 1.00 0.00 C ATOM 733 CG1 VAL A 49 7.826 9.105 -2.982 1.00 0.00 C ATOM 734 CG2 VAL A 49 9.597 9.051 -1.210 1.00 0.00 C ATOM 0 H VAL A 49 10.363 6.127 -1.749 1.00 0.00 H new ATOM 0 HA VAL A 49 7.653 7.086 -1.129 1.00 0.00 H new ATOM 0 HB VAL A 49 9.709 8.123 -3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.214 10.067 -3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.414 8.564 -3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.043 9.268 -2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.961 10.014 -1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.862 9.211 -0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.432 8.472 -0.815 1.00 0.00 H new ATOM 744 N PHE A 50 6.521 6.256 -3.215 1.00 0.00 N ATOM 745 CA PHE A 50 5.833 5.582 -4.310 1.00 0.00 C ATOM 746 C PHE A 50 4.738 6.470 -4.894 1.00 0.00 C ATOM 747 O PHE A 50 3.931 7.044 -4.162 1.00 0.00 O ATOM 748 CB PHE A 50 5.229 4.262 -3.824 1.00 0.00 C ATOM 749 CG PHE A 50 6.124 3.502 -2.887 1.00 0.00 C ATOM 750 CD1 PHE A 50 7.267 2.875 -3.357 1.00 0.00 C ATOM 751 CD2 PHE A 50 5.823 3.415 -1.538 1.00 0.00 C ATOM 752 CE1 PHE A 50 8.093 2.175 -2.497 1.00 0.00 C ATOM 753 CE2 PHE A 50 6.645 2.718 -0.674 1.00 0.00 C ATOM 754 CZ PHE A 50 7.781 2.096 -1.154 1.00 0.00 C ATOM 0 H PHE A 50 5.909 6.784 -2.593 1.00 0.00 H new ATOM 0 HA PHE A 50 6.563 5.375 -5.092 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.283 4.467 -3.323 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.004 3.635 -4.687 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.515 2.934 -4.406 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.935 3.898 -1.157 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.981 1.691 -2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.400 2.659 0.376 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.424 1.549 -0.480 1.00 0.00 H new ATOM 764 N THR A 51 4.717 6.580 -6.218 1.00 0.00 N ATOM 765 CA THR A 51 3.724 7.399 -6.902 1.00 0.00 C ATOM 766 C THR A 51 2.586 6.543 -7.447 1.00 0.00 C ATOM 767 O THR A 51 2.730 5.885 -8.478 1.00 0.00 O ATOM 768 CB THR A 51 4.354 8.194 -8.061 1.00 0.00 C ATOM 769 OG1 THR A 51 5.598 8.767 -7.643 1.00 0.00 O ATOM 770 CG2 THR A 51 3.416 9.295 -8.534 1.00 0.00 C ATOM 0 H THR A 51 5.377 6.112 -6.839 1.00 0.00 H new ATOM 0 HA THR A 51 3.328 8.098 -6.165 1.00 0.00 H new ATOM 0 HB THR A 51 4.531 7.508 -8.889 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.993 9.269 -8.386 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.882 9.843 -9.353 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.481 8.853 -8.879 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.212 9.978 -7.710 1.00 0.00 H new ATOM 778 N LEU A 52 1.456 6.557 -6.749 1.00 0.00 N ATOM 779 CA LEU A 52 0.292 5.782 -7.164 1.00 0.00 C ATOM 780 C LEU A 52 -0.994 6.574 -6.952 1.00 0.00 C ATOM 781 O LEU A 52 -1.163 7.274 -5.953 1.00 0.00 O ATOM 782 CB LEU A 52 0.227 4.466 -6.387 1.00 0.00 C ATOM 783 CG LEU A 52 1.533 3.674 -6.297 1.00 0.00 C ATOM 784 CD1 LEU A 52 2.322 4.087 -5.064 1.00 0.00 C ATOM 785 CD2 LEU A 52 1.250 2.179 -6.276 1.00 0.00 C ATOM 0 H LEU A 52 1.321 7.096 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 52 0.392 5.565 -8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.114 4.682 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.529 3.831 -6.850 1.00 0.00 H new ATOM 0 HG LEU A 52 2.133 3.897 -7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.248 3.514 -5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.556 5.150 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.728 3.893 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.190 1.632 -6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.630 1.938 -5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.726 1.895 -7.189 1.00 0.00 H new ATOM 797 N PRO A 53 -1.924 6.462 -7.912 1.00 0.00 N ATOM 798 CA PRO A 53 -3.212 7.159 -7.852 1.00 0.00 C ATOM 799 C PRO A 53 -4.124 6.598 -6.766 1.00 0.00 C ATOM 800 O PRO A 53 -3.872 5.521 -6.224 1.00 0.00 O ATOM 801 CB PRO A 53 -3.814 6.912 -9.237 1.00 0.00 C ATOM 802 CG PRO A 53 -3.178 5.650 -9.707 1.00 0.00 C ATOM 803 CD PRO A 53 -1.790 5.646 -9.130 1.00 0.00 C ATOM 0 HA PRO A 53 -3.094 8.214 -7.606 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.898 6.813 -9.185 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.601 7.739 -9.914 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.743 4.780 -9.372 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.148 5.610 -10.796 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.453 4.635 -8.901 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.066 6.074 -9.823 1.00 0.00 H new ATOM 811 N LEU A 54 -5.185 7.334 -6.453 1.00 0.00 N ATOM 812 CA LEU A 54 -6.137 6.909 -5.432 1.00 0.00 C ATOM 813 C LEU A 54 -7.351 6.236 -6.065 1.00 0.00 C ATOM 814 O LEU A 54 -8.369 6.880 -6.319 1.00 0.00 O ATOM 815 CB LEU A 54 -6.583 8.108 -4.593 1.00 0.00 C ATOM 816 CG LEU A 54 -5.475 9.055 -4.133 1.00 0.00 C ATOM 817 CD1 LEU A 54 -6.007 10.473 -3.997 1.00 0.00 C ATOM 818 CD2 LEU A 54 -4.878 8.579 -2.817 1.00 0.00 C ATOM 0 H LEU A 54 -5.408 8.228 -6.891 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.640 6.185 -4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.307 8.682 -5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.104 7.735 -3.711 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.688 9.055 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.204 11.133 -3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.385 10.814 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.813 10.490 -3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.091 9.265 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.656 8.549 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.459 7.581 -2.947 1.00 0.00 H new ATOM 830 N THR A 55 -7.237 4.936 -6.315 1.00 0.00 N ATOM 831 CA THR A 55 -8.324 4.175 -6.917 1.00 0.00 C ATOM 832 C THR A 55 -8.660 2.943 -6.084 1.00 0.00 C ATOM 833 O THR A 55 -9.828 2.668 -5.809 1.00 0.00 O ATOM 834 CB THR A 55 -7.975 3.732 -8.350 1.00 0.00 C ATOM 835 OG1 THR A 55 -6.628 3.248 -8.399 1.00 0.00 O ATOM 836 CG2 THR A 55 -8.140 4.886 -9.328 1.00 0.00 C ATOM 0 H THR A 55 -6.402 4.388 -6.110 1.00 0.00 H new ATOM 0 HA THR A 55 -9.190 4.835 -6.950 1.00 0.00 H new ATOM 0 HB THR A 55 -8.659 2.933 -8.636 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.415 2.967 -9.313 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.888 4.550 -10.334 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.173 5.233 -9.310 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.477 5.703 -9.042 1.00 0.00 H new ATOM 844 N ASP A 56 -7.629 2.206 -5.686 1.00 0.00 N ATOM 845 CA ASP A 56 -7.815 1.003 -4.882 1.00 0.00 C ATOM 846 C ASP A 56 -7.677 1.316 -3.396 1.00 0.00 C ATOM 847 O ASP A 56 -7.535 2.475 -3.007 1.00 0.00 O ATOM 848 CB ASP A 56 -6.801 -0.068 -5.287 1.00 0.00 C ATOM 849 CG ASP A 56 -7.293 -0.927 -6.436 1.00 0.00 C ATOM 850 OD1 ASP A 56 -8.438 -1.419 -6.361 1.00 0.00 O ATOM 851 OD2 ASP A 56 -6.532 -1.106 -7.409 1.00 0.00 O ATOM 0 H ASP A 56 -6.656 2.420 -5.907 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.822 0.626 -5.063 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.864 0.412 -5.571 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.586 -0.704 -4.428 1.00 0.00 H new ATOM 856 N GLN A 57 -7.721 0.275 -2.570 1.00 0.00 N ATOM 857 CA GLN A 57 -7.603 0.440 -1.126 1.00 0.00 C ATOM 858 C GLN A 57 -6.149 0.651 -0.720 1.00 0.00 C ATOM 859 O GLN A 57 -5.264 0.751 -1.570 1.00 0.00 O ATOM 860 CB GLN A 57 -8.175 -0.781 -0.404 1.00 0.00 C ATOM 861 CG GLN A 57 -9.579 -1.152 -0.853 1.00 0.00 C ATOM 862 CD GLN A 57 -10.259 -2.120 0.095 1.00 0.00 C ATOM 863 OE1 GLN A 57 -9.685 -3.141 0.474 1.00 0.00 O ATOM 864 NE2 GLN A 57 -11.488 -1.803 0.484 1.00 0.00 N ATOM 0 H GLN A 57 -7.837 -0.691 -2.876 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.173 1.323 -0.838 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.514 -1.632 -0.567 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.185 -0.587 0.668 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.181 -0.247 -0.935 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.533 -1.596 -1.848 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.925 -0.946 0.145 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.995 -2.416 1.122 1.00 0.00 H new ATOM 873 N VAL A 58 -5.908 0.719 0.586 1.00 0.00 N ATOM 874 CA VAL A 58 -4.560 0.918 1.105 1.00 0.00 C ATOM 875 C VAL A 58 -3.655 -0.256 0.749 1.00 0.00 C ATOM 876 O VAL A 58 -2.431 -0.129 0.743 1.00 0.00 O ATOM 877 CB VAL A 58 -4.570 1.100 2.635 1.00 0.00 C ATOM 878 CG1 VAL A 58 -3.149 1.206 3.169 1.00 0.00 C ATOM 879 CG2 VAL A 58 -5.386 2.324 3.021 1.00 0.00 C ATOM 0 H VAL A 58 -6.629 0.639 1.303 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.172 1.825 0.641 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.038 0.224 3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.176 1.334 4.251 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.600 0.297 2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.652 2.063 2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.382 2.437 4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.950 3.211 2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.412 2.202 2.673 1.00 0.00 H new ATOM 889 N SER A 59 -4.266 -1.398 0.453 1.00 0.00 N ATOM 890 CA SER A 59 -3.515 -2.597 0.099 1.00 0.00 C ATOM 891 C SER A 59 -2.477 -2.290 -0.976 1.00 0.00 C ATOM 892 O SER A 59 -1.290 -2.566 -0.806 1.00 0.00 O ATOM 893 CB SER A 59 -4.464 -3.693 -0.391 1.00 0.00 C ATOM 894 OG SER A 59 -5.224 -3.250 -1.503 1.00 0.00 O ATOM 0 H SER A 59 -5.279 -1.519 0.451 1.00 0.00 H new ATOM 0 HA SER A 59 -2.996 -2.947 0.991 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.891 -4.578 -0.668 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.134 -3.987 0.417 1.00 0.00 H new ATOM 0 HG SER A 59 -5.821 -3.969 -1.798 1.00 0.00 H new ATOM 900 N VAL A 60 -2.934 -1.716 -2.085 1.00 0.00 N ATOM 901 CA VAL A 60 -2.046 -1.370 -3.188 1.00 0.00 C ATOM 902 C VAL A 60 -0.801 -0.647 -2.686 1.00 0.00 C ATOM 903 O VAL A 60 0.236 -0.642 -3.349 1.00 0.00 O ATOM 904 CB VAL A 60 -2.759 -0.481 -4.225 1.00 0.00 C ATOM 905 CG1 VAL A 60 -3.835 -1.270 -4.954 1.00 0.00 C ATOM 906 CG2 VAL A 60 -3.350 0.750 -3.554 1.00 0.00 C ATOM 0 H VAL A 60 -3.914 -1.481 -2.243 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.752 -2.306 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.026 -0.149 -4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.328 -0.626 -5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.380 -2.117 -5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.570 -1.633 -4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.850 1.367 -4.301 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.071 0.441 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.553 1.325 -3.083 1.00 0.00 H new ATOM 916 N ILE A 61 -0.912 -0.038 -1.510 1.00 0.00 N ATOM 917 CA ILE A 61 0.205 0.687 -0.918 1.00 0.00 C ATOM 918 C ILE A 61 1.060 -0.232 -0.051 1.00 0.00 C ATOM 919 O ILE A 61 2.282 -0.096 0.000 1.00 0.00 O ATOM 920 CB ILE A 61 -0.282 1.872 -0.063 1.00 0.00 C ATOM 921 CG1 ILE A 61 -1.070 2.861 -0.925 1.00 0.00 C ATOM 922 CG2 ILE A 61 0.897 2.565 0.603 1.00 0.00 C ATOM 923 CD1 ILE A 61 -2.547 2.545 -1.010 1.00 0.00 C ATOM 0 H ILE A 61 -1.764 -0.032 -0.949 1.00 0.00 H new ATOM 0 HA ILE A 61 0.806 1.068 -1.744 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.942 1.491 0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.944 3.865 -0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.650 2.869 -1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.536 3.400 1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.421 1.856 1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.580 2.936 -0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.042 3.287 -1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.683 1.554 -1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.982 2.566 -0.011 1.00 0.00 H new ATOM 935 N LYS A 62 0.408 -1.170 0.627 1.00 0.00 N ATOM 936 CA LYS A 62 1.107 -2.116 1.490 1.00 0.00 C ATOM 937 C LYS A 62 1.956 -3.079 0.666 1.00 0.00 C ATOM 938 O LYS A 62 3.068 -3.433 1.058 1.00 0.00 O ATOM 939 CB LYS A 62 0.104 -2.901 2.338 1.00 0.00 C ATOM 940 CG LYS A 62 -0.650 -2.043 3.339 1.00 0.00 C ATOM 941 CD LYS A 62 -1.246 -2.882 4.456 1.00 0.00 C ATOM 942 CE LYS A 62 -1.386 -2.081 5.741 1.00 0.00 C ATOM 943 NZ LYS A 62 -1.574 -2.963 6.927 1.00 0.00 N ATOM 0 H LYS A 62 -0.604 -1.296 0.596 1.00 0.00 H new ATOM 0 HA LYS A 62 1.766 -1.551 2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.613 -3.389 1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.633 -3.690 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.024 -1.299 3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.444 -1.499 2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.223 -3.255 4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.615 -3.752 4.635 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.498 -1.465 5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.234 -1.402 5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.665 -2.379 7.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.435 -3.533 6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.753 -3.594 7.024 1.00 0.00 H new ATOM 957 N VAL A 63 1.426 -3.498 -0.478 1.00 0.00 N ATOM 958 CA VAL A 63 2.136 -4.418 -1.359 1.00 0.00 C ATOM 959 C VAL A 63 3.524 -3.888 -1.702 1.00 0.00 C ATOM 960 O VAL A 63 4.498 -4.640 -1.733 1.00 0.00 O ATOM 961 CB VAL A 63 1.355 -4.663 -2.663 1.00 0.00 C ATOM 962 CG1 VAL A 63 1.489 -3.471 -3.598 1.00 0.00 C ATOM 963 CG2 VAL A 63 1.834 -5.938 -3.339 1.00 0.00 C ATOM 0 H VAL A 63 0.507 -3.215 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 63 2.233 -5.361 -0.821 1.00 0.00 H new ATOM 0 HB VAL A 63 0.300 -4.784 -2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.930 -3.663 -4.514 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.093 -2.580 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.540 -3.315 -3.840 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.271 -6.096 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.895 -5.849 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.680 -6.785 -2.670 1.00 0.00 H new ATOM 973 N LYS A 64 3.607 -2.587 -1.960 1.00 0.00 N ATOM 974 CA LYS A 64 4.876 -1.954 -2.300 1.00 0.00 C ATOM 975 C LYS A 64 5.928 -2.236 -1.233 1.00 0.00 C ATOM 976 O LYS A 64 7.053 -2.627 -1.545 1.00 0.00 O ATOM 977 CB LYS A 64 4.689 -0.444 -2.461 1.00 0.00 C ATOM 978 CG LYS A 64 3.568 -0.068 -3.414 1.00 0.00 C ATOM 979 CD LYS A 64 4.075 0.087 -4.838 1.00 0.00 C ATOM 980 CE LYS A 64 3.970 -1.218 -5.612 1.00 0.00 C ATOM 981 NZ LYS A 64 4.660 -1.139 -6.930 1.00 0.00 N ATOM 0 H LYS A 64 2.810 -1.950 -1.940 1.00 0.00 H new ATOM 0 HA LYS A 64 5.221 -2.374 -3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.486 -0.005 -1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.621 -0.007 -2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.792 -0.833 -3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.109 0.865 -3.087 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.501 0.861 -5.348 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.113 0.419 -4.822 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.404 -2.026 -5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.920 -1.465 -5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.565 -2.048 -7.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.229 -0.385 -7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.668 -0.928 -6.782 1.00 0.00 H new ATOM 995 N ILE A 65 5.555 -2.037 0.027 1.00 0.00 N ATOM 996 CA ILE A 65 6.466 -2.272 1.140 1.00 0.00 C ATOM 997 C ILE A 65 7.069 -3.671 1.070 1.00 0.00 C ATOM 998 O ILE A 65 8.289 -3.835 1.106 1.00 0.00 O ATOM 999 CB ILE A 65 5.756 -2.099 2.495 1.00 0.00 C ATOM 1000 CG1 ILE A 65 5.100 -0.719 2.579 1.00 0.00 C ATOM 1001 CG2 ILE A 65 6.741 -2.293 3.638 1.00 0.00 C ATOM 1002 CD1 ILE A 65 3.906 -0.673 3.507 1.00 0.00 C ATOM 0 H ILE A 65 4.628 -1.713 0.302 1.00 0.00 H new ATOM 0 HA ILE A 65 7.261 -1.531 1.059 1.00 0.00 H new ATOM 0 HB ILE A 65 4.977 -2.857 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.840 0.006 2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.786 -0.413 1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.224 -2.167 4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.166 -3.295 3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.540 -1.555 3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.492 0.335 3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.147 -1.374 3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.218 -0.947 4.515 1.00 0.00 H new ATOM 1014 N HIS A 66 6.206 -4.677 0.968 1.00 0.00 N ATOM 1015 CA HIS A 66 6.654 -6.063 0.890 1.00 0.00 C ATOM 1016 C HIS A 66 7.546 -6.278 -0.329 1.00 0.00 C ATOM 1017 O HIS A 66 8.511 -7.040 -0.276 1.00 0.00 O ATOM 1018 CB HIS A 66 5.452 -7.007 0.830 1.00 0.00 C ATOM 1019 CG HIS A 66 5.830 -8.455 0.764 1.00 0.00 C ATOM 1020 ND1 HIS A 66 5.776 -9.195 -0.398 1.00 0.00 N ATOM 1021 CD2 HIS A 66 6.272 -9.298 1.726 1.00 0.00 C ATOM 1022 CE1 HIS A 66 6.166 -10.432 -0.147 1.00 0.00 C ATOM 1023 NE2 HIS A 66 6.473 -10.521 1.134 1.00 0.00 N ATOM 0 H HIS A 66 5.193 -4.558 0.937 1.00 0.00 H new ATOM 0 HA HIS A 66 7.234 -6.282 1.786 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.827 -6.843 1.708 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.848 -6.758 -0.042 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.436 -9.055 2.765 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.224 -11.234 -0.868 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.805 -11.361 1.607 1.00 0.00 H new ATOM 1032 N GLU A 67 7.216 -5.602 -1.425 1.00 0.00 N ATOM 1033 CA GLU A 67 7.987 -5.721 -2.657 1.00 0.00 C ATOM 1034 C GLU A 67 9.439 -5.310 -2.432 1.00 0.00 C ATOM 1035 O GLU A 67 10.364 -5.999 -2.860 1.00 0.00 O ATOM 1036 CB GLU A 67 7.366 -4.860 -3.759 1.00 0.00 C ATOM 1037 CG GLU A 67 6.313 -5.587 -4.578 1.00 0.00 C ATOM 1038 CD GLU A 67 6.753 -6.977 -4.994 1.00 0.00 C ATOM 1039 OE1 GLU A 67 7.863 -7.105 -5.553 1.00 0.00 O ATOM 1040 OE2 GLU A 67 5.988 -7.936 -4.761 1.00 0.00 O ATOM 0 H GLU A 67 6.420 -4.967 -1.485 1.00 0.00 H new ATOM 0 HA GLU A 67 7.967 -6.765 -2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.916 -3.976 -3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.156 -4.512 -4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.393 -5.660 -3.997 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.083 -5.002 -5.468 1.00 0.00 H new ATOM 1047 N ALA A 68 9.630 -4.181 -1.757 1.00 0.00 N ATOM 1048 CA ALA A 68 10.968 -3.677 -1.474 1.00 0.00 C ATOM 1049 C ALA A 68 11.568 -4.368 -0.254 1.00 0.00 C ATOM 1050 O ALA A 68 12.614 -5.012 -0.342 1.00 0.00 O ATOM 1051 CB ALA A 68 10.932 -2.170 -1.265 1.00 0.00 C ATOM 0 H ALA A 68 8.875 -3.598 -1.396 1.00 0.00 H new ATOM 0 HA ALA A 68 11.602 -3.898 -2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.938 -1.808 -1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.553 -1.687 -2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.279 -1.935 -0.425 1.00 0.00 H new ATOM 1057 N THR A 69 10.899 -4.230 0.887 1.00 0.00 N ATOM 1058 CA THR A 69 11.366 -4.838 2.126 1.00 0.00 C ATOM 1059 C THR A 69 10.720 -6.201 2.347 1.00 0.00 C ATOM 1060 O THR A 69 9.662 -6.495 1.791 1.00 0.00 O ATOM 1061 CB THR A 69 11.070 -3.939 3.341 1.00 0.00 C ATOM 1062 OG1 THR A 69 9.656 -3.767 3.489 1.00 0.00 O ATOM 1063 CG2 THR A 69 11.738 -2.581 3.185 1.00 0.00 C ATOM 0 H THR A 69 10.031 -3.702 0.978 1.00 0.00 H new ATOM 0 HA THR A 69 12.445 -4.961 2.030 1.00 0.00 H new ATOM 0 HB THR A 69 11.472 -4.423 4.231 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.212 -3.957 2.636 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.515 -1.964 4.055 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.817 -2.714 3.101 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.362 -2.092 2.287 1.00 0.00 H new ATOM 1071 N GLY A 70 11.363 -7.031 3.163 1.00 0.00 N ATOM 1072 CA GLY A 70 10.835 -8.354 3.443 1.00 0.00 C ATOM 1073 C GLY A 70 9.770 -8.336 4.521 1.00 0.00 C ATOM 1074 O GLY A 70 9.611 -9.306 5.262 1.00 0.00 O ATOM 0 H GLY A 70 12.240 -6.811 3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.416 -8.776 2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.650 -9.009 3.752 1.00 0.00 H new ATOM 1078 N MET A 71 9.040 -7.229 4.611 1.00 0.00 N ATOM 1079 CA MET A 71 7.984 -7.089 5.608 1.00 0.00 C ATOM 1080 C MET A 71 6.633 -7.495 5.030 1.00 0.00 C ATOM 1081 O MET A 71 6.287 -7.154 3.898 1.00 0.00 O ATOM 1082 CB MET A 71 7.923 -5.648 6.118 1.00 0.00 C ATOM 1083 CG MET A 71 7.319 -5.520 7.507 1.00 0.00 C ATOM 1084 SD MET A 71 7.652 -3.919 8.265 1.00 0.00 S ATOM 1085 CE MET A 71 6.818 -4.108 9.838 1.00 0.00 C ATOM 0 H MET A 71 9.160 -6.416 4.006 1.00 0.00 H new ATOM 0 HA MET A 71 8.215 -7.752 6.442 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.931 -5.232 6.129 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.339 -5.049 5.420 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.241 -5.671 7.445 1.00 0.00 H new ATOM 0 HG3 MET A 71 7.716 -6.309 8.145 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.976 -3.417 9.889 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.455 -5.131 9.937 1.00 0.00 H new ATOM 0 HE3 MET A 71 7.515 -3.891 10.648 1.00 0.00 H new ATOM 1095 N PRO A 72 5.848 -8.240 5.822 1.00 0.00 N ATOM 1096 CA PRO A 72 4.522 -8.708 5.409 1.00 0.00 C ATOM 1097 C PRO A 72 3.510 -7.571 5.312 1.00 0.00 C ATOM 1098 O PRO A 72 3.685 -6.519 5.926 1.00 0.00 O ATOM 1099 CB PRO A 72 4.126 -9.682 6.521 1.00 0.00 C ATOM 1100 CG PRO A 72 4.899 -9.230 7.712 1.00 0.00 C ATOM 1101 CD PRO A 72 6.196 -8.684 7.182 1.00 0.00 C ATOM 0 HA PRO A 72 4.540 -9.158 4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.053 -9.652 6.710 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.374 -10.709 6.254 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.352 -8.467 8.266 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.076 -10.057 8.399 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.564 -7.859 7.792 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.977 -9.444 7.169 1.00 0.00 H new ATOM 1109 N ALA A 73 2.452 -7.790 4.538 1.00 0.00 N ATOM 1110 CA ALA A 73 1.412 -6.784 4.364 1.00 0.00 C ATOM 1111 C ALA A 73 0.448 -6.781 5.546 1.00 0.00 C ATOM 1112 O ALA A 73 -0.768 -6.748 5.367 1.00 0.00 O ATOM 1113 CB ALA A 73 0.656 -7.026 3.065 1.00 0.00 C ATOM 0 H ALA A 73 2.293 -8.655 4.022 1.00 0.00 H new ATOM 0 HA ALA A 73 1.891 -5.806 4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.118 -6.267 2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.349 -6.971 2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.195 -8.013 3.091 1.00 0.00 H new ATOM 1119 N GLY A 74 1.002 -6.815 6.755 1.00 0.00 N ATOM 1120 CA GLY A 74 0.176 -6.816 7.948 1.00 0.00 C ATOM 1121 C GLY A 74 0.869 -6.172 9.133 1.00 0.00 C ATOM 1122 O GLY A 74 0.422 -5.142 9.639 1.00 0.00 O ATOM 0 H GLY A 74 2.007 -6.842 6.929 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.754 -6.286 7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.091 -7.842 8.201 1.00 0.00 H new ATOM 1126 N LYS A 75 1.964 -6.779 9.578 1.00 0.00 N ATOM 1127 CA LYS A 75 2.721 -6.259 10.711 1.00 0.00 C ATOM 1128 C LYS A 75 3.004 -4.770 10.538 1.00 0.00 C ATOM 1129 O LYS A 75 2.886 -3.994 11.486 1.00 0.00 O ATOM 1130 CB LYS A 75 4.037 -7.025 10.865 1.00 0.00 C ATOM 1131 CG LYS A 75 3.922 -8.260 11.742 1.00 0.00 C ATOM 1132 CD LYS A 75 4.302 -7.959 13.182 1.00 0.00 C ATOM 1133 CE LYS A 75 3.086 -7.572 14.011 1.00 0.00 C ATOM 1134 NZ LYS A 75 2.180 -8.732 14.240 1.00 0.00 N ATOM 0 H LYS A 75 2.347 -7.632 9.171 1.00 0.00 H new ATOM 0 HA LYS A 75 2.121 -6.395 11.611 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.393 -7.322 9.878 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.789 -6.358 11.287 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.901 -8.639 11.706 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.568 -9.046 11.351 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.781 -8.833 13.623 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.032 -7.150 13.205 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.413 -7.171 14.971 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.538 -6.778 13.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.568 -8.538 15.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.592 -8.885 13.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.747 -9.584 14.426 1.00 0.00 H new ATOM 1148 N GLN A 76 3.376 -4.380 9.324 1.00 0.00 N ATOM 1149 CA GLN A 76 3.675 -2.984 9.029 1.00 0.00 C ATOM 1150 C GLN A 76 2.438 -2.111 9.214 1.00 0.00 C ATOM 1151 O GLN A 76 1.532 -2.115 8.380 1.00 0.00 O ATOM 1152 CB GLN A 76 4.203 -2.844 7.600 1.00 0.00 C ATOM 1153 CG GLN A 76 3.292 -3.461 6.552 1.00 0.00 C ATOM 1154 CD GLN A 76 4.053 -3.973 5.345 1.00 0.00 C ATOM 1155 OE1 GLN A 76 5.207 -4.390 5.456 1.00 0.00 O ATOM 1156 NE2 GLN A 76 3.411 -3.945 4.183 1.00 0.00 N ATOM 0 H GLN A 76 3.478 -5.011 8.529 1.00 0.00 H new ATOM 0 HA GLN A 76 4.442 -2.648 9.727 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.339 -1.786 7.374 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.185 -3.312 7.537 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.734 -4.283 7.000 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.562 -2.719 6.228 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.455 -3.591 4.137 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.873 -4.277 3.337 1.00 0.00 H new ATOM 1165 N LYS A 77 2.406 -1.364 10.312 1.00 0.00 N ATOM 1166 CA LYS A 77 1.280 -0.485 10.608 1.00 0.00 C ATOM 1167 C LYS A 77 1.496 0.897 10.001 1.00 0.00 C ATOM 1168 O LYS A 77 2.319 1.677 10.483 1.00 0.00 O ATOM 1169 CB LYS A 77 1.084 -0.365 12.121 1.00 0.00 C ATOM 1170 CG LYS A 77 -0.358 -0.120 12.530 1.00 0.00 C ATOM 1171 CD LYS A 77 -0.642 -0.658 13.922 1.00 0.00 C ATOM 1172 CE LYS A 77 -0.025 0.223 14.997 1.00 0.00 C ATOM 1173 NZ LYS A 77 -0.198 -0.358 16.357 1.00 0.00 N ATOM 0 H LYS A 77 3.147 -1.349 11.012 1.00 0.00 H new ATOM 0 HA LYS A 77 0.384 -0.921 10.166 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.438 -1.279 12.598 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.703 0.451 12.495 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.568 0.949 12.502 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.026 -0.595 11.812 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.719 -0.721 14.076 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.248 -1.670 14.009 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.037 0.357 14.792 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.483 1.212 14.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.376 0.177 17.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.200 -0.306 16.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.108 -1.352 16.351 1.00 0.00 H new ATOM 1187 N LEU A 78 0.752 1.196 8.942 1.00 0.00 N ATOM 1188 CA LEU A 78 0.860 2.486 8.270 1.00 0.00 C ATOM 1189 C LEU A 78 0.063 3.555 9.011 1.00 0.00 C ATOM 1190 O LEU A 78 -1.167 3.525 9.026 1.00 0.00 O ATOM 1191 CB LEU A 78 0.366 2.374 6.826 1.00 0.00 C ATOM 1192 CG LEU A 78 1.009 1.275 5.980 1.00 0.00 C ATOM 1193 CD1 LEU A 78 0.451 1.295 4.566 1.00 0.00 C ATOM 1194 CD2 LEU A 78 2.523 1.433 5.961 1.00 0.00 C ATOM 0 H LEU A 78 0.067 0.562 8.530 1.00 0.00 H new ATOM 0 HA LEU A 78 1.910 2.779 8.267 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.711 2.208 6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.533 3.331 6.331 1.00 0.00 H new ATOM 0 HG LEU A 78 0.770 0.311 6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.920 0.506 3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.626 1.132 4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.658 2.261 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.964 0.642 5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.782 2.403 5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.908 1.367 6.978 1.00 0.00 H new ATOM 1206 N GLN A 79 0.773 4.498 9.621 1.00 0.00 N ATOM 1207 CA GLN A 79 0.130 5.577 10.363 1.00 0.00 C ATOM 1208 C GLN A 79 0.085 6.856 9.532 1.00 0.00 C ATOM 1209 O GLN A 79 1.090 7.267 8.952 1.00 0.00 O ATOM 1210 CB GLN A 79 0.871 5.834 11.676 1.00 0.00 C ATOM 1211 CG GLN A 79 -0.010 6.420 12.767 1.00 0.00 C ATOM 1212 CD GLN A 79 0.712 6.549 14.094 1.00 0.00 C ATOM 1213 OE1 GLN A 79 1.582 5.741 14.422 1.00 0.00 O ATOM 1214 NE2 GLN A 79 0.355 7.569 14.866 1.00 0.00 N ATOM 0 H GLN A 79 1.792 4.537 9.617 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.893 5.273 10.585 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.300 4.897 12.031 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.702 6.514 11.488 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.365 7.402 12.454 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.890 5.789 12.896 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.371 8.215 14.555 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.807 7.707 15.770 1.00 0.00 H new ATOM 1223 N TYR A 80 -1.086 7.480 9.480 1.00 0.00 N ATOM 1224 CA TYR A 80 -1.264 8.711 8.719 1.00 0.00 C ATOM 1225 C TYR A 80 -2.161 9.691 9.469 1.00 0.00 C ATOM 1226 O TYR A 80 -3.314 9.386 9.770 1.00 0.00 O ATOM 1227 CB TYR A 80 -1.861 8.404 7.345 1.00 0.00 C ATOM 1228 CG TYR A 80 -2.440 9.616 6.652 1.00 0.00 C ATOM 1229 CD1 TYR A 80 -1.621 10.655 6.226 1.00 0.00 C ATOM 1230 CD2 TYR A 80 -3.807 9.723 6.423 1.00 0.00 C ATOM 1231 CE1 TYR A 80 -2.146 11.765 5.593 1.00 0.00 C ATOM 1232 CE2 TYR A 80 -4.340 10.829 5.790 1.00 0.00 C ATOM 1233 CZ TYR A 80 -3.506 11.847 5.377 1.00 0.00 C ATOM 1234 OH TYR A 80 -4.034 12.951 4.746 1.00 0.00 O ATOM 0 H TYR A 80 -1.927 7.154 9.956 1.00 0.00 H new ATOM 0 HA TYR A 80 -0.285 9.171 8.587 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.088 7.968 6.712 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -2.642 7.652 7.457 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.556 10.594 6.393 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.463 8.928 6.745 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.495 12.564 5.269 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.404 10.896 5.619 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.373 13.318 4.122 1.00 0.00 H new ATOM 1244 N GLU A 81 -1.622 10.869 9.765 1.00 0.00 N ATOM 1245 CA GLU A 81 -2.373 11.895 10.479 1.00 0.00 C ATOM 1246 C GLU A 81 -3.049 11.311 11.716 1.00 0.00 C ATOM 1247 O GLU A 81 -4.232 11.544 11.959 1.00 0.00 O ATOM 1248 CB GLU A 81 -3.422 12.523 9.560 1.00 0.00 C ATOM 1249 CG GLU A 81 -2.835 13.454 8.512 1.00 0.00 C ATOM 1250 CD GLU A 81 -2.180 14.678 9.122 1.00 0.00 C ATOM 1251 OE1 GLU A 81 -0.977 14.605 9.450 1.00 0.00 O ATOM 1252 OE2 GLU A 81 -2.870 15.709 9.271 1.00 0.00 O ATOM 0 H GLU A 81 -0.668 11.137 9.522 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.672 12.666 10.798 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.976 11.729 9.059 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.138 13.078 10.166 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.100 12.910 7.919 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.624 13.770 7.829 1.00 0.00 H new ATOM 1259 N GLY A 82 -2.287 10.550 12.496 1.00 0.00 N ATOM 1260 CA GLY A 82 -2.829 9.944 13.698 1.00 0.00 C ATOM 1261 C GLY A 82 -3.903 8.918 13.397 1.00 0.00 C ATOM 1262 O GLY A 82 -4.832 8.733 14.184 1.00 0.00 O ATOM 0 H GLY A 82 -1.305 10.343 12.317 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.023 9.468 14.256 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.244 10.723 14.338 1.00 0.00 H new ATOM 1266 N ILE A 83 -3.779 8.251 12.254 1.00 0.00 N ATOM 1267 CA ILE A 83 -4.748 7.240 11.851 1.00 0.00 C ATOM 1268 C ILE A 83 -4.062 5.912 11.548 1.00 0.00 C ATOM 1269 O ILE A 83 -2.944 5.881 11.034 1.00 0.00 O ATOM 1270 CB ILE A 83 -5.547 7.687 10.613 1.00 0.00 C ATOM 1271 CG1 ILE A 83 -6.225 9.033 10.875 1.00 0.00 C ATOM 1272 CG2 ILE A 83 -6.577 6.633 10.238 1.00 0.00 C ATOM 1273 CD1 ILE A 83 -6.753 9.698 9.624 1.00 0.00 C ATOM 0 H ILE A 83 -3.017 8.393 11.591 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.434 7.109 12.688 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.857 7.806 9.777 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -7.049 8.886 11.573 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.513 9.701 11.359 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.134 6.964 9.361 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.071 5.694 10.014 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.265 6.485 11.070 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.220 10.647 9.886 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.930 9.878 8.932 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.490 9.049 9.150 1.00 0.00 H new ATOM 1285 N PHE A 84 -4.741 4.815 11.867 1.00 0.00 N ATOM 1286 CA PHE A 84 -4.199 3.483 11.628 1.00 0.00 C ATOM 1287 C PHE A 84 -4.743 2.899 10.327 1.00 0.00 C ATOM 1288 O PHE A 84 -5.282 1.792 10.310 1.00 0.00 O ATOM 1289 CB PHE A 84 -4.534 2.555 12.797 1.00 0.00 C ATOM 1290 CG PHE A 84 -3.759 2.860 14.046 1.00 0.00 C ATOM 1291 CD1 PHE A 84 -2.377 2.950 14.015 1.00 0.00 C ATOM 1292 CD2 PHE A 84 -4.412 3.057 15.252 1.00 0.00 C ATOM 1293 CE1 PHE A 84 -1.661 3.230 15.164 1.00 0.00 C ATOM 1294 CE2 PHE A 84 -3.702 3.337 16.404 1.00 0.00 C ATOM 1295 CZ PHE A 84 -2.324 3.425 16.359 1.00 0.00 C ATOM 0 H PHE A 84 -5.668 4.823 12.292 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.116 3.569 11.541 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.600 2.627 13.014 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.338 1.525 12.500 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.853 2.800 13.083 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.489 2.991 15.292 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.584 3.296 15.127 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.223 3.487 17.338 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.766 3.646 17.257 1.00 0.00 H new ATOM 1305 N ILE A 85 -4.599 3.652 9.242 1.00 0.00 N ATOM 1306 CA ILE A 85 -5.076 3.209 7.937 1.00 0.00 C ATOM 1307 C ILE A 85 -4.728 1.745 7.693 1.00 0.00 C ATOM 1308 O ILE A 85 -3.614 1.304 7.977 1.00 0.00 O ATOM 1309 CB ILE A 85 -4.481 4.063 6.802 1.00 0.00 C ATOM 1310 CG1 ILE A 85 -2.953 3.995 6.829 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -4.955 5.504 6.919 1.00 0.00 C ATOM 1312 CD1 ILE A 85 -2.300 4.584 5.598 1.00 0.00 C ATOM 0 H ILE A 85 -4.156 4.571 9.240 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.160 3.326 7.940 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.826 3.664 5.848 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.589 4.523 7.711 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.645 2.954 6.931 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.526 6.095 6.110 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.043 5.536 6.854 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.636 5.915 7.877 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.217 4.502 5.686 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.635 4.041 4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.578 5.634 5.506 1.00 0.00 H new ATOM 1324 N LYS A 86 -5.688 0.996 7.161 1.00 0.00 N ATOM 1325 CA LYS A 86 -5.484 -0.419 6.874 1.00 0.00 C ATOM 1326 C LYS A 86 -5.910 -0.752 5.448 1.00 0.00 C ATOM 1327 O LYS A 86 -6.471 0.089 4.745 1.00 0.00 O ATOM 1328 CB LYS A 86 -6.269 -1.280 7.866 1.00 0.00 C ATOM 1329 CG LYS A 86 -5.500 -1.597 9.138 1.00 0.00 C ATOM 1330 CD LYS A 86 -6.362 -2.352 10.136 1.00 0.00 C ATOM 1331 CE LYS A 86 -5.527 -2.921 11.273 1.00 0.00 C ATOM 1332 NZ LYS A 86 -4.655 -4.038 10.816 1.00 0.00 N ATOM 0 H LYS A 86 -6.615 1.346 6.920 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.421 -0.635 6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.193 -0.765 8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.551 -2.214 7.380 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.619 -2.191 8.894 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.144 -0.671 9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.123 -1.684 10.540 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.886 -3.161 9.627 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.910 -2.131 11.701 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.186 -3.276 12.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.313 -4.571 11.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.199 -4.671 10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.844 -3.653 10.292 1.00 0.00 H new ATOM 1346 N ASP A 87 -5.641 -1.983 5.027 1.00 0.00 N ATOM 1347 CA ASP A 87 -6.000 -2.427 3.685 1.00 0.00 C ATOM 1348 C ASP A 87 -7.505 -2.647 3.569 1.00 0.00 C ATOM 1349 O ASP A 87 -8.048 -2.718 2.467 1.00 0.00 O ATOM 1350 CB ASP A 87 -5.255 -3.717 3.336 1.00 0.00 C ATOM 1351 CG ASP A 87 -5.229 -4.701 4.489 1.00 0.00 C ATOM 1352 OD1 ASP A 87 -4.341 -4.572 5.358 1.00 0.00 O ATOM 1353 OD2 ASP A 87 -6.096 -5.599 4.523 1.00 0.00 O ATOM 0 H ASP A 87 -5.176 -2.691 5.595 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.710 -1.647 2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.729 -4.185 2.473 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.233 -3.475 3.045 1.00 0.00 H new ATOM 1358 N SER A 88 -8.172 -2.754 4.713 1.00 0.00 N ATOM 1359 CA SER A 88 -9.614 -2.971 4.740 1.00 0.00 C ATOM 1360 C SER A 88 -10.361 -1.707 4.325 1.00 0.00 C ATOM 1361 O SER A 88 -11.447 -1.775 3.752 1.00 0.00 O ATOM 1362 CB SER A 88 -10.060 -3.404 6.138 1.00 0.00 C ATOM 1363 OG SER A 88 -11.284 -4.115 6.085 1.00 0.00 O ATOM 0 H SER A 88 -7.737 -2.694 5.634 1.00 0.00 H new ATOM 0 HA SER A 88 -9.851 -3.763 4.029 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.291 -4.030 6.591 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.173 -2.527 6.775 1.00 0.00 H new ATOM 0 HG SER A 88 -11.547 -4.382 6.991 1.00 0.00 H new ATOM 1369 N ASN A 89 -9.769 -0.554 4.619 1.00 0.00 N ATOM 1370 CA ASN A 89 -10.377 0.727 4.277 1.00 0.00 C ATOM 1371 C ASN A 89 -9.765 1.297 3.001 1.00 0.00 C ATOM 1372 O ASN A 89 -8.619 1.000 2.664 1.00 0.00 O ATOM 1373 CB ASN A 89 -10.204 1.721 5.427 1.00 0.00 C ATOM 1374 CG ASN A 89 -8.871 1.562 6.133 1.00 0.00 C ATOM 1375 OD1 ASN A 89 -7.825 1.933 5.599 1.00 0.00 O ATOM 1376 ND2 ASN A 89 -8.902 1.008 7.339 1.00 0.00 N ATOM 0 H ASN A 89 -8.869 -0.480 5.093 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.441 0.561 4.106 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -10.289 2.737 5.041 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -11.012 1.585 6.146 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -8.036 0.875 7.862 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.792 0.715 7.743 1.00 0.00 H new ATOM 1383 N SER A 90 -10.537 2.118 2.296 1.00 0.00 N ATOM 1384 CA SER A 90 -10.073 2.727 1.056 1.00 0.00 C ATOM 1385 C SER A 90 -9.333 4.032 1.335 1.00 0.00 C ATOM 1386 O SER A 90 -9.442 4.600 2.423 1.00 0.00 O ATOM 1387 CB SER A 90 -11.253 2.988 0.118 1.00 0.00 C ATOM 1388 OG SER A 90 -10.853 2.909 -1.240 1.00 0.00 O ATOM 0 H SER A 90 -11.487 2.376 2.563 1.00 0.00 H new ATOM 0 HA SER A 90 -9.383 2.033 0.576 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.042 2.261 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.671 3.974 0.320 1.00 0.00 H new ATOM 0 HG SER A 90 -11.625 3.078 -1.819 1.00 0.00 H new ATOM 1394 N LEU A 91 -8.581 4.502 0.346 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.822 5.740 0.484 1.00 0.00 C ATOM 1396 C LEU A 91 -8.739 6.955 0.378 1.00 0.00 C ATOM 1397 O LEU A 91 -8.808 7.774 1.293 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.732 5.814 -0.587 1.00 0.00 C ATOM 1399 CG LEU A 91 -5.661 4.724 -0.531 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -5.133 4.423 -1.925 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -4.525 5.139 0.393 1.00 0.00 C ATOM 0 H LEU A 91 -8.481 4.045 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.356 5.745 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.210 5.776 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.240 6.783 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.114 3.816 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.372 3.645 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.952 4.082 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.696 5.326 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.772 4.351 0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.073 6.060 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.915 5.304 1.398 1.00 0.00 H new ATOM 1413 N ALA A 92 -9.442 7.063 -0.745 1.00 0.00 N ATOM 1414 CA ALA A 92 -10.357 8.175 -0.968 1.00 0.00 C ATOM 1415 C ALA A 92 -11.106 8.535 0.310 1.00 0.00 C ATOM 1416 O ALA A 92 -11.073 9.681 0.759 1.00 0.00 O ATOM 1417 CB ALA A 92 -11.339 7.835 -2.080 1.00 0.00 C ATOM 0 H ALA A 92 -9.395 6.394 -1.514 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.769 9.042 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -12.017 8.674 -2.236 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.791 7.635 -3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -11.914 6.952 -1.801 1.00 0.00 H new ATOM 1423 N TYR A 93 -11.782 7.550 0.892 1.00 0.00 N ATOM 1424 CA TYR A 93 -12.542 7.764 2.117 1.00 0.00 C ATOM 1425 C TYR A 93 -11.806 8.715 3.056 1.00 0.00 C ATOM 1426 O TYR A 93 -12.336 9.756 3.445 1.00 0.00 O ATOM 1427 CB TYR A 93 -12.799 6.431 2.823 1.00 0.00 C ATOM 1428 CG TYR A 93 -13.540 6.573 4.133 1.00 0.00 C ATOM 1429 CD1 TYR A 93 -12.903 7.066 5.264 1.00 0.00 C ATOM 1430 CD2 TYR A 93 -14.878 6.212 4.240 1.00 0.00 C ATOM 1431 CE1 TYR A 93 -13.576 7.197 6.464 1.00 0.00 C ATOM 1432 CE2 TYR A 93 -15.559 6.340 5.434 1.00 0.00 C ATOM 1433 CZ TYR A 93 -14.903 6.832 6.544 1.00 0.00 C ATOM 1434 OH TYR A 93 -15.578 6.960 7.736 1.00 0.00 O ATOM 0 H TYR A 93 -11.819 6.595 0.534 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.497 8.215 1.847 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.372 5.783 2.160 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.845 5.937 3.007 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.863 7.352 5.205 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -15.394 5.825 3.374 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.065 7.583 7.334 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.599 6.057 5.499 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.504 6.660 7.621 1.00 0.00 H new ATOM 1444 N TYR A 94 -10.580 8.350 3.415 1.00 0.00 N ATOM 1445 CA TYR A 94 -9.770 9.169 4.310 1.00 0.00 C ATOM 1446 C TYR A 94 -9.581 10.572 3.742 1.00 0.00 C ATOM 1447 O TYR A 94 -9.517 11.551 4.485 1.00 0.00 O ATOM 1448 CB TYR A 94 -8.408 8.513 4.541 1.00 0.00 C ATOM 1449 CG TYR A 94 -8.442 7.384 5.546 1.00 0.00 C ATOM 1450 CD1 TYR A 94 -8.947 7.581 6.825 1.00 0.00 C ATOM 1451 CD2 TYR A 94 -7.971 6.119 5.216 1.00 0.00 C ATOM 1452 CE1 TYR A 94 -8.980 6.552 7.747 1.00 0.00 C ATOM 1453 CE2 TYR A 94 -8.001 5.084 6.131 1.00 0.00 C ATOM 1454 CZ TYR A 94 -8.506 5.306 7.395 1.00 0.00 C ATOM 1455 OH TYR A 94 -8.538 4.278 8.309 1.00 0.00 O ATOM 0 H TYR A 94 -10.125 7.493 3.100 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.294 9.250 5.262 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.032 8.132 3.592 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.702 9.271 4.882 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -9.320 8.555 7.104 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.575 5.942 4.227 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.375 6.723 8.738 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.631 4.107 5.858 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.087 3.546 7.959 1.00 0.00 H new ATOM 1465 N ASN A 95 -9.494 10.662 2.419 1.00 0.00 N ATOM 1466 CA ASN A 95 -9.313 11.945 1.750 1.00 0.00 C ATOM 1467 C ASN A 95 -7.897 12.472 1.958 1.00 0.00 C ATOM 1468 O ASN A 95 -7.704 13.600 2.410 1.00 0.00 O ATOM 1469 CB ASN A 95 -10.330 12.963 2.270 1.00 0.00 C ATOM 1470 CG ASN A 95 -11.625 12.311 2.714 1.00 0.00 C ATOM 1471 OD1 ASN A 95 -11.874 12.148 3.909 1.00 0.00 O ATOM 1472 ND2 ASN A 95 -12.458 11.935 1.751 1.00 0.00 N ATOM 0 H ASN A 95 -9.546 9.862 1.789 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.472 11.795 0.682 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.897 13.511 3.107 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.543 13.692 1.488 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.345 11.491 1.989 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.211 12.090 0.774 1.00 0.00 H new ATOM 1479 N MET A 96 -6.909 11.647 1.625 1.00 0.00 N ATOM 1480 CA MET A 96 -5.510 12.031 1.774 1.00 0.00 C ATOM 1481 C MET A 96 -5.130 13.103 0.758 1.00 0.00 C ATOM 1482 O MET A 96 -5.934 13.476 -0.096 1.00 0.00 O ATOM 1483 CB MET A 96 -4.604 10.810 1.608 1.00 0.00 C ATOM 1484 CG MET A 96 -4.917 9.684 2.580 1.00 0.00 C ATOM 1485 SD MET A 96 -4.049 8.156 2.177 1.00 0.00 S ATOM 1486 CE MET A 96 -4.459 7.148 3.599 1.00 0.00 C ATOM 0 H MET A 96 -7.051 10.709 1.250 1.00 0.00 H new ATOM 0 HA MET A 96 -5.376 12.441 2.775 1.00 0.00 H new ATOM 0 HB2 MET A 96 -4.696 10.435 0.589 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.567 11.117 1.742 1.00 0.00 H new ATOM 0 HG2 MET A 96 -4.647 9.995 3.589 1.00 0.00 H new ATOM 0 HG3 MET A 96 -5.991 9.498 2.580 1.00 0.00 H new ATOM 0 HE1 MET A 96 -4.099 6.131 3.440 1.00 0.00 H new ATOM 0 HE2 MET A 96 -3.987 7.565 4.489 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.540 7.133 3.735 1.00 0.00 H new ATOM 1496 N ALA A 97 -3.899 13.595 0.857 1.00 0.00 N ATOM 1497 CA ALA A 97 -3.412 14.623 -0.055 1.00 0.00 C ATOM 1498 C ALA A 97 -2.041 14.256 -0.614 1.00 0.00 C ATOM 1499 O ALA A 97 -1.209 13.679 0.086 1.00 0.00 O ATOM 1500 CB ALA A 97 -3.353 15.969 0.651 1.00 0.00 C ATOM 0 H ALA A 97 -3.221 13.298 1.559 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.109 14.693 -0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.988 16.727 -0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.350 16.243 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.679 15.903 1.505 1.00 0.00 H new ATOM 1506 N SER A 98 -1.813 14.594 -1.879 1.00 0.00 N ATOM 1507 CA SER A 98 -0.544 14.296 -2.533 1.00 0.00 C ATOM 1508 C SER A 98 0.631 14.646 -1.624 1.00 0.00 C ATOM 1509 O SER A 98 0.457 15.274 -0.581 1.00 0.00 O ATOM 1510 CB SER A 98 -0.432 15.067 -3.850 1.00 0.00 C ATOM 1511 OG SER A 98 -0.077 16.420 -3.621 1.00 0.00 O ATOM 0 H SER A 98 -2.490 15.074 -2.471 1.00 0.00 H new ATOM 0 HA SER A 98 -0.513 13.227 -2.742 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.315 14.595 -4.489 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.382 15.022 -4.383 1.00 0.00 H new ATOM 0 HG SER A 98 -0.010 16.890 -4.478 1.00 0.00 H new ATOM 1517 N GLY A 99 1.828 14.233 -2.030 1.00 0.00 N ATOM 1518 CA GLY A 99 3.014 14.511 -1.242 1.00 0.00 C ATOM 1519 C GLY A 99 2.827 14.178 0.225 1.00 0.00 C ATOM 1520 O GLY A 99 3.437 14.803 1.093 1.00 0.00 O ATOM 0 H GLY A 99 1.997 13.711 -2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.852 13.937 -1.638 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.274 15.565 -1.342 1.00 0.00 H new ATOM 1524 N ALA A 100 1.980 13.193 0.504 1.00 0.00 N ATOM 1525 CA ALA A 100 1.714 12.779 1.876 1.00 0.00 C ATOM 1526 C ALA A 100 2.903 12.025 2.462 1.00 0.00 C ATOM 1527 O ALA A 100 3.881 11.750 1.766 1.00 0.00 O ATOM 1528 CB ALA A 100 0.461 11.919 1.934 1.00 0.00 C ATOM 0 H ALA A 100 1.466 12.667 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 100 1.554 13.675 2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.274 11.617 2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.390 12.491 1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.599 11.032 1.315 1.00 0.00 H new ATOM 1534 N VAL A 101 2.813 11.692 3.746 1.00 0.00 N ATOM 1535 CA VAL A 101 3.881 10.969 4.425 1.00 0.00 C ATOM 1536 C VAL A 101 3.318 9.879 5.330 1.00 0.00 C ATOM 1537 O VAL A 101 2.679 10.167 6.342 1.00 0.00 O ATOM 1538 CB VAL A 101 4.755 11.919 5.267 1.00 0.00 C ATOM 1539 CG1 VAL A 101 3.910 12.642 6.304 1.00 0.00 C ATOM 1540 CG2 VAL A 101 5.888 11.152 5.930 1.00 0.00 C ATOM 0 H VAL A 101 2.011 11.912 4.337 1.00 0.00 H new ATOM 0 HA VAL A 101 4.496 10.512 3.650 1.00 0.00 H new ATOM 0 HB VAL A 101 5.192 12.666 4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.544 13.308 6.889 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.137 13.224 5.802 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.442 11.912 6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.495 11.838 6.521 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.474 10.382 6.581 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.508 10.685 5.165 1.00 0.00 H new ATOM 1550 N ILE A 102 3.560 8.627 4.958 1.00 0.00 N ATOM 1551 CA ILE A 102 3.078 7.493 5.737 1.00 0.00 C ATOM 1552 C ILE A 102 4.153 6.987 6.694 1.00 0.00 C ATOM 1553 O ILE A 102 5.147 6.396 6.272 1.00 0.00 O ATOM 1554 CB ILE A 102 2.631 6.334 4.827 1.00 0.00 C ATOM 1555 CG1 ILE A 102 1.609 6.828 3.801 1.00 0.00 C ATOM 1556 CG2 ILE A 102 2.049 5.201 5.659 1.00 0.00 C ATOM 1557 CD1 ILE A 102 0.257 7.147 4.400 1.00 0.00 C ATOM 0 H ILE A 102 4.087 8.372 4.123 1.00 0.00 H new ATOM 0 HA ILE A 102 2.221 7.846 6.310 1.00 0.00 H new ATOM 0 HB ILE A 102 3.502 5.955 4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.000 7.720 3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.485 6.069 3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.738 4.389 5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.804 4.835 6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.187 5.566 6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.417 7.491 3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.155 6.252 4.865 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.367 7.928 5.152 1.00 0.00 H new ATOM 1569 N HIS A 103 3.945 7.222 7.986 1.00 0.00 N ATOM 1570 CA HIS A 103 4.894 6.788 9.004 1.00 0.00 C ATOM 1571 C HIS A 103 4.704 5.309 9.329 1.00 0.00 C ATOM 1572 O HIS A 103 3.617 4.884 9.721 1.00 0.00 O ATOM 1573 CB HIS A 103 4.733 7.626 10.273 1.00 0.00 C ATOM 1574 CG HIS A 103 4.934 9.093 10.051 1.00 0.00 C ATOM 1575 ND1 HIS A 103 6.151 9.642 9.705 1.00 0.00 N ATOM 1576 CD2 HIS A 103 4.064 10.127 10.125 1.00 0.00 C ATOM 1577 CE1 HIS A 103 6.021 10.950 9.578 1.00 0.00 C ATOM 1578 NE2 HIS A 103 4.764 11.271 9.827 1.00 0.00 N ATOM 0 H HIS A 103 3.128 7.710 8.352 1.00 0.00 H new ATOM 0 HA HIS A 103 5.901 6.929 8.610 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.736 7.462 10.683 1.00 0.00 H new ATOM 0 HB3 HIS A 103 5.446 7.279 11.021 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.015 10.064 10.372 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.809 11.640 9.315 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.376 12.214 9.802 1.00 0.00 H new ATOM 1587 N LEU A 104 5.768 4.531 9.164 1.00 0.00 N ATOM 1588 CA LEU A 104 5.718 3.099 9.439 1.00 0.00 C ATOM 1589 C LEU A 104 6.039 2.814 10.903 1.00 0.00 C ATOM 1590 O LEU A 104 6.907 3.456 11.494 1.00 0.00 O ATOM 1591 CB LEU A 104 6.700 2.351 8.535 1.00 0.00 C ATOM 1592 CG LEU A 104 6.660 0.825 8.619 1.00 0.00 C ATOM 1593 CD1 LEU A 104 5.411 0.285 7.939 1.00 0.00 C ATOM 1594 CD2 LEU A 104 7.911 0.224 7.995 1.00 0.00 C ATOM 0 H LEU A 104 6.675 4.867 8.841 1.00 0.00 H new ATOM 0 HA LEU A 104 4.706 2.750 9.233 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.507 2.643 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.710 2.682 8.777 1.00 0.00 H new ATOM 0 HG LEU A 104 6.629 0.539 9.670 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.400 -0.803 8.009 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.526 0.689 8.430 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.411 0.581 6.890 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.866 -0.863 8.064 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.973 0.519 6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.792 0.585 8.526 1.00 0.00 H new ATOM 1606 N ALA A 105 5.335 1.847 11.481 1.00 0.00 N ATOM 1607 CA ALA A 105 5.548 1.474 12.874 1.00 0.00 C ATOM 1608 C ALA A 105 5.405 -0.031 13.068 1.00 0.00 C ATOM 1609 O ALA A 105 5.074 -0.760 12.131 1.00 0.00 O ATOM 1610 CB ALA A 105 4.573 2.219 13.775 1.00 0.00 C ATOM 0 H ALA A 105 4.612 1.307 11.006 1.00 0.00 H new ATOM 0 HA ALA A 105 6.565 1.754 13.147 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.743 1.931 14.812 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.726 3.293 13.667 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.551 1.967 13.492 1.00 0.00 H new ATOM 1616 N LEU A 106 5.656 -0.493 14.288 1.00 0.00 N ATOM 1617 CA LEU A 106 5.555 -1.913 14.605 1.00 0.00 C ATOM 1618 C LEU A 106 4.298 -2.202 15.418 1.00 0.00 C ATOM 1619 O LEU A 106 4.049 -1.569 16.444 1.00 0.00 O ATOM 1620 CB LEU A 106 6.793 -2.372 15.378 1.00 0.00 C ATOM 1621 CG LEU A 106 6.653 -3.683 16.152 1.00 0.00 C ATOM 1622 CD1 LEU A 106 6.391 -4.840 15.200 1.00 0.00 C ATOM 1623 CD2 LEU A 106 7.899 -3.947 16.985 1.00 0.00 C ATOM 0 H LEU A 106 5.931 0.096 15.074 1.00 0.00 H new ATOM 0 HA LEU A 106 5.493 -2.466 13.668 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.619 -2.475 14.674 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.070 -1.586 16.081 1.00 0.00 H new ATOM 0 HG LEU A 106 5.801 -3.595 16.827 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.294 -5.765 15.769 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.469 -4.655 14.648 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.221 -4.930 14.500 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.781 -4.884 17.529 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.767 -4.015 16.330 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.042 -3.132 17.694 1.00 0.00 H new ATOM 1635 N LYS A 107 3.508 -3.165 14.954 1.00 0.00 N ATOM 1636 CA LYS A 107 2.277 -3.542 15.640 1.00 0.00 C ATOM 1637 C LYS A 107 2.573 -4.451 16.828 1.00 0.00 C ATOM 1638 O LYS A 107 3.536 -5.217 16.810 1.00 0.00 O ATOM 1639 CB LYS A 107 1.324 -4.244 14.670 1.00 0.00 C ATOM 1640 CG LYS A 107 -0.075 -4.442 15.228 1.00 0.00 C ATOM 1641 CD LYS A 107 -0.898 -5.373 14.354 1.00 0.00 C ATOM 1642 CE LYS A 107 -2.335 -5.470 14.841 1.00 0.00 C ATOM 1643 NZ LYS A 107 -2.497 -6.519 15.886 1.00 0.00 N ATOM 0 H LYS A 107 3.698 -3.699 14.106 1.00 0.00 H new ATOM 0 HA LYS A 107 1.803 -2.633 16.011 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.260 -3.661 13.751 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.741 -5.215 14.404 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.011 -4.851 16.237 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.576 -3.477 15.306 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.885 -5.014 13.325 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.446 -6.365 14.351 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.648 -4.506 15.242 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.990 -5.693 13.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.490 -6.554 16.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.222 -7.443 15.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.892 -6.294 16.701 1.00 0.00 H new ATOM 1657 N GLU A 108 1.737 -4.362 17.858 1.00 0.00 N ATOM 1658 CA GLU A 108 1.910 -5.179 19.053 1.00 0.00 C ATOM 1659 C GLU A 108 2.411 -6.574 18.692 1.00 0.00 C ATOM 1660 O GLU A 108 1.994 -7.154 17.689 1.00 0.00 O ATOM 1661 CB GLU A 108 0.591 -5.282 19.823 1.00 0.00 C ATOM 1662 CG GLU A 108 0.365 -4.139 20.798 1.00 0.00 C ATOM 1663 CD GLU A 108 -0.688 -4.462 21.841 1.00 0.00 C ATOM 1664 OE1 GLU A 108 -0.468 -5.399 22.636 1.00 0.00 O ATOM 1665 OE2 GLU A 108 -1.732 -3.777 21.861 1.00 0.00 O ATOM 0 H GLU A 108 0.934 -3.733 17.889 1.00 0.00 H new ATOM 0 HA GLU A 108 2.655 -4.697 19.686 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.234 -5.310 19.111 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.572 -6.224 20.370 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.304 -3.901 21.297 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.063 -3.249 20.245 1.00 0.00 H new ATOM 1672 N ARG A 109 3.308 -7.107 19.516 1.00 0.00 N ATOM 1673 CA ARG A 109 3.867 -8.433 19.282 1.00 0.00 C ATOM 1674 C ARG A 109 2.874 -9.520 19.682 1.00 0.00 C ATOM 1675 O ARG A 109 2.259 -9.452 20.746 1.00 0.00 O ATOM 1676 CB ARG A 109 5.170 -8.605 20.065 1.00 0.00 C ATOM 1677 CG ARG A 109 6.362 -7.912 19.424 1.00 0.00 C ATOM 1678 CD ARG A 109 7.375 -7.467 20.467 1.00 0.00 C ATOM 1679 NE ARG A 109 8.330 -8.524 20.788 1.00 0.00 N ATOM 1680 CZ ARG A 109 9.513 -8.300 21.349 1.00 0.00 C ATOM 1681 NH1 ARG A 109 9.884 -7.063 21.650 1.00 0.00 N ATOM 1682 NH2 ARG A 109 10.328 -9.314 21.611 1.00 0.00 N ATOM 0 H ARG A 109 3.663 -6.641 20.351 1.00 0.00 H new ATOM 0 HA ARG A 109 4.075 -8.529 18.216 1.00 0.00 H new ATOM 0 HB2 ARG A 109 5.032 -8.214 21.073 1.00 0.00 H new ATOM 0 HB3 ARG A 109 5.388 -9.669 20.162 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.840 -8.589 18.716 1.00 0.00 H new ATOM 0 HG3 ARG A 109 6.019 -7.047 18.856 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.912 -6.592 20.101 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.852 -7.163 21.374 1.00 0.00 H new ATOM 0 HE ARG A 109 8.075 -9.487 20.569 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.260 -6.281 21.451 1.00 0.00 H new ATOM 0 HH12 ARG A 109 10.793 -6.894 22.081 1.00 0.00 H new ATOM 0 HH21 ARG A 109 10.046 -10.267 21.382 1.00 0.00 H new ATOM 0 HH22 ARG A 109 11.236 -9.140 22.042 1.00 0.00 H new ATOM 1696 N SER A 110 2.722 -10.521 18.821 1.00 0.00 N ATOM 1697 CA SER A 110 1.800 -11.620 19.082 1.00 0.00 C ATOM 1698 C SER A 110 2.557 -12.871 19.519 1.00 0.00 C ATOM 1699 O SER A 110 2.180 -13.531 20.487 1.00 0.00 O ATOM 1700 CB SER A 110 0.969 -11.924 17.834 1.00 0.00 C ATOM 1701 OG SER A 110 -0.079 -10.982 17.678 1.00 0.00 O ATOM 0 H SER A 110 3.225 -10.594 17.937 1.00 0.00 H new ATOM 0 HA SER A 110 1.133 -11.318 19.890 1.00 0.00 H new ATOM 0 HB2 SER A 110 1.611 -11.908 16.953 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.552 -12.928 17.907 1.00 0.00 H new ATOM 0 HG SER A 110 -0.595 -11.197 16.873 1.00 0.00 H new ATOM 1707 N GLY A 111 3.626 -13.191 18.797 1.00 0.00 N ATOM 1708 CA GLY A 111 4.420 -14.361 19.125 1.00 0.00 C ATOM 1709 C GLY A 111 5.138 -14.931 17.918 1.00 0.00 C ATOM 1710 O GLY A 111 4.599 -15.756 17.180 1.00 0.00 O ATOM 0 H GLY A 111 3.957 -12.661 17.991 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.152 -14.097 19.888 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.774 -15.126 19.554 1.00 0.00 H new ATOM 1714 N PRO A 112 6.385 -14.486 17.702 1.00 0.00 N ATOM 1715 CA PRO A 112 7.205 -14.943 16.576 1.00 0.00 C ATOM 1716 C PRO A 112 7.644 -16.395 16.731 1.00 0.00 C ATOM 1717 O PRO A 112 7.601 -16.954 17.827 1.00 0.00 O ATOM 1718 CB PRO A 112 8.418 -14.010 16.619 1.00 0.00 C ATOM 1719 CG PRO A 112 8.507 -13.569 18.039 1.00 0.00 C ATOM 1720 CD PRO A 112 7.091 -13.503 18.541 1.00 0.00 C ATOM 0 HA PRO A 112 6.658 -14.910 15.634 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.326 -14.526 16.307 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.288 -13.161 15.948 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.098 -14.270 18.629 1.00 0.00 H new ATOM 0 HG3 PRO A 112 8.994 -12.597 18.116 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.027 -13.758 19.599 1.00 0.00 H new ATOM 0 HD3 PRO A 112 6.671 -12.503 18.429 1.00 0.00 H new ATOM 1728 N SER A 113 8.068 -17.001 15.627 1.00 0.00 N ATOM 1729 CA SER A 113 8.513 -18.390 15.639 1.00 0.00 C ATOM 1730 C SER A 113 9.757 -18.570 14.775 1.00 0.00 C ATOM 1731 O SER A 113 10.051 -17.744 13.911 1.00 0.00 O ATOM 1732 CB SER A 113 7.396 -19.310 15.142 1.00 0.00 C ATOM 1733 OG SER A 113 7.010 -18.976 13.820 1.00 0.00 O ATOM 0 H SER A 113 8.113 -16.552 14.712 1.00 0.00 H new ATOM 0 HA SER A 113 8.764 -18.656 16.666 1.00 0.00 H new ATOM 0 HB2 SER A 113 7.732 -20.346 15.175 1.00 0.00 H new ATOM 0 HB3 SER A 113 6.535 -19.233 15.806 1.00 0.00 H new ATOM 0 HG SER A 113 6.296 -19.579 13.525 1.00 0.00 H new ATOM 1739 N SER A 114 10.485 -19.656 15.016 1.00 0.00 N ATOM 1740 CA SER A 114 11.700 -19.944 14.263 1.00 0.00 C ATOM 1741 C SER A 114 11.718 -21.396 13.795 1.00 0.00 C ATOM 1742 O SER A 114 11.540 -22.319 14.589 1.00 0.00 O ATOM 1743 CB SER A 114 12.935 -19.657 15.119 1.00 0.00 C ATOM 1744 OG SER A 114 13.052 -20.593 16.177 1.00 0.00 O ATOM 0 H SER A 114 10.254 -20.351 15.727 1.00 0.00 H new ATOM 0 HA SER A 114 11.716 -19.298 13.385 1.00 0.00 H new ATOM 0 HB2 SER A 114 13.829 -19.694 14.497 1.00 0.00 H new ATOM 0 HB3 SER A 114 12.872 -18.648 15.527 1.00 0.00 H new ATOM 0 HG SER A 114 12.515 -21.387 15.972 1.00 0.00 H new ATOM 1750 N GLY A 115 11.936 -21.590 12.498 1.00 0.00 N ATOM 1751 CA GLY A 115 11.973 -22.932 11.945 1.00 0.00 C ATOM 1752 C GLY A 115 10.940 -23.138 10.855 1.00 0.00 C ATOM 1753 O GLY A 115 9.945 -22.417 10.789 1.00 0.00 O ATOM 0 H GLY A 115 12.088 -20.843 11.821 1.00 0.00 H new ATOM 0 HA2 GLY A 115 12.966 -23.128 11.542 1.00 0.00 H new ATOM 0 HA3 GLY A 115 11.804 -23.655 12.743 1.00 0.00 H new TER 1757 GLY A 115