USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 857 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 59 GLN : amide:sc= -0.172 K(o=-0.049,f=-4.9!) USER MOD Set 1.2: A 63 SER OG : rot 131:sc= 0.124 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.217 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 39:sc= 0.0675 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 12:sc= 1.21 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.055 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 18 GLN : amide:sc=-0.00456 X(o=-0.0046,f=0) USER MOD Single : A 23 MET CE :methyl 136:sc= -0.185 (180deg=-1.03) USER MOD Single : A 24 SER OG : rot -136:sc=-0.00564 USER MOD Single : A 29 THR OG1 : rot 164:sc= 1.16 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -58:sc= 1.28 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.714 K(o=0.71,f=-0.29) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN :FLIP amide:sc= -1.64 F(o=-2.8,f=-1.6) USER MOD Single : A 53 SER OG : rot -130:sc= 1.14 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 89:sc= 0.0117 USER MOD Single : A 70 LYS NZ :NH3+ -179:sc= 1.15 (180deg=1.15) USER MOD Single : A 73 HIS : no HD1:sc= -0.885 X(o=-0.88,f=-0.68) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 170:sc= -0.0221 (180deg=-0.125) USER MOD Single : A 86 MET CE :methyl -160:sc= -0.374 (180deg=-0.852) USER MOD Single : A 87 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.59) USER MOD Single : A 91 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.71) USER MOD Single : A 95 ASN : amide:sc= 0.0561 K(o=0.056,f=-6.2!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 153:sc= -0.28 (180deg=-1.15) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -140:sc= 0.133 USER MOD Single : A 110 SER OG : rot 180:sc= 0.0288 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.393 -2.916 -46.963 1.00 0.00 N ATOM 2 CA GLY A 1 -33.214 -3.638 -46.454 1.00 0.00 C ATOM 3 C GLY A 1 -33.656 -4.611 -45.375 1.00 0.00 C ATOM 4 O GLY A 1 -34.853 -4.849 -45.254 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.413 -2.972 -48.001 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.257 -3.347 -46.577 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.343 -1.919 -46.671 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.722 -4.174 -47.265 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.487 -2.934 -46.050 1.00 0.00 H new ATOM 8 N SER A 2 -32.720 -5.144 -44.594 1.00 0.00 N ATOM 9 CA SER A 2 -32.989 -5.830 -43.340 1.00 0.00 C ATOM 10 C SER A 2 -31.860 -5.409 -42.400 1.00 0.00 C ATOM 11 O SER A 2 -30.751 -5.147 -42.875 1.00 0.00 O ATOM 12 CB SER A 2 -33.034 -7.345 -43.569 1.00 0.00 C ATOM 13 OG SER A 2 -33.544 -7.991 -42.422 1.00 0.00 O ATOM 0 H SER A 2 -31.727 -5.108 -44.825 1.00 0.00 H new ATOM 0 HA SER A 2 -33.957 -5.569 -42.911 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.659 -7.572 -44.433 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.034 -7.717 -43.792 1.00 0.00 H new ATOM 0 HG SER A 2 -33.571 -8.958 -42.576 1.00 0.00 H new ATOM 19 N SER A 3 -32.148 -5.279 -41.107 1.00 0.00 N ATOM 20 CA SER A 3 -31.267 -4.646 -40.136 1.00 0.00 C ATOM 21 C SER A 3 -31.915 -4.774 -38.759 1.00 0.00 C ATOM 22 O SER A 3 -33.088 -4.426 -38.626 1.00 0.00 O ATOM 23 CB SER A 3 -31.096 -3.156 -40.498 1.00 0.00 C ATOM 24 OG SER A 3 -32.333 -2.562 -40.870 1.00 0.00 O ATOM 0 H SER A 3 -33.019 -5.619 -40.699 1.00 0.00 H new ATOM 0 HA SER A 3 -30.287 -5.123 -40.136 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.676 -2.620 -39.647 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.384 -3.060 -41.318 1.00 0.00 H new ATOM 0 HG SER A 3 -33.048 -2.909 -40.297 1.00 0.00 H new ATOM 30 N GLY A 4 -31.174 -5.220 -37.745 1.00 0.00 N ATOM 31 CA GLY A 4 -31.633 -5.238 -36.364 1.00 0.00 C ATOM 32 C GLY A 4 -30.615 -5.953 -35.484 1.00 0.00 C ATOM 33 O GLY A 4 -29.673 -6.562 -35.992 1.00 0.00 O ATOM 0 H GLY A 4 -30.228 -5.582 -37.865 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -31.781 -4.218 -36.008 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.598 -5.741 -36.300 1.00 0.00 H new ATOM 37 N SER A 5 -30.791 -5.863 -34.169 1.00 0.00 N ATOM 38 CA SER A 5 -30.092 -6.612 -33.127 1.00 0.00 C ATOM 39 C SER A 5 -30.767 -6.259 -31.792 1.00 0.00 C ATOM 40 O SER A 5 -31.564 -5.318 -31.738 1.00 0.00 O ATOM 41 CB SER A 5 -28.579 -6.307 -33.120 1.00 0.00 C ATOM 42 OG SER A 5 -28.279 -4.984 -33.519 1.00 0.00 O ATOM 0 H SER A 5 -31.475 -5.218 -33.774 1.00 0.00 H new ATOM 0 HA SER A 5 -30.164 -7.684 -33.310 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.185 -6.476 -32.118 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.070 -7.005 -33.785 1.00 0.00 H new ATOM 0 HG SER A 5 -27.309 -4.847 -33.494 1.00 0.00 H new ATOM 48 N SER A 6 -30.504 -7.016 -30.725 1.00 0.00 N ATOM 49 CA SER A 6 -30.944 -6.764 -29.354 1.00 0.00 C ATOM 50 C SER A 6 -30.168 -7.706 -28.425 1.00 0.00 C ATOM 51 O SER A 6 -29.555 -8.666 -28.897 1.00 0.00 O ATOM 52 CB SER A 6 -32.454 -7.032 -29.217 1.00 0.00 C ATOM 53 OG SER A 6 -33.209 -5.977 -29.774 1.00 0.00 O ATOM 0 H SER A 6 -29.948 -7.868 -30.800 1.00 0.00 H new ATOM 0 HA SER A 6 -30.756 -5.723 -29.090 1.00 0.00 H new ATOM 0 HB2 SER A 6 -32.707 -7.968 -29.716 1.00 0.00 H new ATOM 0 HB3 SER A 6 -32.711 -7.152 -28.165 1.00 0.00 H new ATOM 0 HG SER A 6 -32.620 -5.395 -30.298 1.00 0.00 H new ATOM 59 N GLY A 7 -30.252 -7.472 -27.112 1.00 0.00 N ATOM 60 CA GLY A 7 -29.573 -8.288 -26.113 1.00 0.00 C ATOM 61 C GLY A 7 -28.073 -8.010 -26.086 1.00 0.00 C ATOM 62 O GLY A 7 -27.585 -7.068 -26.706 1.00 0.00 O ATOM 0 H GLY A 7 -30.797 -6.706 -26.715 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -29.998 -8.089 -25.129 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -29.744 -9.343 -26.327 1.00 0.00 H new ATOM 66 N TYR A 8 -27.361 -8.794 -25.280 1.00 0.00 N ATOM 67 CA TYR A 8 -25.923 -8.752 -25.053 1.00 0.00 C ATOM 68 C TYR A 8 -25.548 -10.103 -24.419 1.00 0.00 C ATOM 69 O TYR A 8 -26.407 -10.979 -24.277 1.00 0.00 O ATOM 70 CB TYR A 8 -25.558 -7.557 -24.146 1.00 0.00 C ATOM 71 CG TYR A 8 -26.057 -7.679 -22.718 1.00 0.00 C ATOM 72 CD1 TYR A 8 -27.401 -7.398 -22.410 1.00 0.00 C ATOM 73 CD2 TYR A 8 -25.186 -8.124 -21.707 1.00 0.00 C ATOM 74 CE1 TYR A 8 -27.884 -7.595 -21.107 1.00 0.00 C ATOM 75 CE2 TYR A 8 -25.661 -8.332 -20.403 1.00 0.00 C ATOM 76 CZ TYR A 8 -27.018 -8.067 -20.096 1.00 0.00 C ATOM 77 OH TYR A 8 -27.485 -8.200 -18.827 1.00 0.00 O ATOM 0 H TYR A 8 -27.808 -9.527 -24.730 1.00 0.00 H new ATOM 0 HA TYR A 8 -25.366 -8.606 -25.979 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -24.474 -7.446 -24.131 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -25.966 -6.646 -24.584 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -28.063 -7.029 -23.179 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -24.146 -8.307 -21.936 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -28.918 -7.386 -20.877 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -24.993 -8.693 -19.635 1.00 0.00 H new ATOM 0 HH TYR A 8 -26.769 -8.536 -18.249 1.00 0.00 H new ATOM 87 N SER A 9 -24.292 -10.290 -24.015 1.00 0.00 N ATOM 88 CA SER A 9 -23.894 -11.389 -23.145 1.00 0.00 C ATOM 89 C SER A 9 -22.745 -10.905 -22.257 1.00 0.00 C ATOM 90 O SER A 9 -22.186 -9.835 -22.507 1.00 0.00 O ATOM 91 CB SER A 9 -23.506 -12.600 -24.003 1.00 0.00 C ATOM 92 OG SER A 9 -23.556 -13.791 -23.245 1.00 0.00 O ATOM 0 H SER A 9 -23.521 -9.679 -24.285 1.00 0.00 H new ATOM 0 HA SER A 9 -24.713 -11.704 -22.499 1.00 0.00 H new ATOM 0 HB2 SER A 9 -24.181 -12.678 -24.855 1.00 0.00 H new ATOM 0 HB3 SER A 9 -22.502 -12.461 -24.403 1.00 0.00 H new ATOM 0 HG SER A 9 -23.307 -14.550 -23.812 1.00 0.00 H new ATOM 98 N GLY A 10 -22.379 -11.681 -21.237 1.00 0.00 N ATOM 99 CA GLY A 10 -21.301 -11.344 -20.324 1.00 0.00 C ATOM 100 C GLY A 10 -20.972 -12.518 -19.410 1.00 0.00 C ATOM 101 O GLY A 10 -21.707 -13.508 -19.377 1.00 0.00 O ATOM 0 H GLY A 10 -22.831 -12.570 -21.024 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -20.414 -11.061 -20.891 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.585 -10.480 -19.724 1.00 0.00 H new ATOM 105 N SER A 11 -19.873 -12.419 -18.663 1.00 0.00 N ATOM 106 CA SER A 11 -19.373 -13.497 -17.818 1.00 0.00 C ATOM 107 C SER A 11 -18.725 -12.947 -16.542 1.00 0.00 C ATOM 108 O SER A 11 -18.612 -11.733 -16.347 1.00 0.00 O ATOM 109 CB SER A 11 -18.395 -14.350 -18.639 1.00 0.00 C ATOM 110 OG SER A 11 -18.165 -15.606 -18.025 1.00 0.00 O ATOM 0 H SER A 11 -19.299 -11.576 -18.629 1.00 0.00 H new ATOM 0 HA SER A 11 -20.202 -14.125 -17.492 1.00 0.00 H new ATOM 0 HB2 SER A 11 -18.795 -14.501 -19.642 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.450 -13.818 -18.749 1.00 0.00 H new ATOM 0 HG SER A 11 -17.540 -16.127 -18.571 1.00 0.00 H new ATOM 116 N GLN A 12 -18.301 -13.865 -15.676 1.00 0.00 N ATOM 117 CA GLN A 12 -17.713 -13.661 -14.366 1.00 0.00 C ATOM 118 C GLN A 12 -16.713 -14.786 -14.088 1.00 0.00 C ATOM 119 O GLN A 12 -16.752 -15.810 -14.775 1.00 0.00 O ATOM 120 CB GLN A 12 -18.830 -13.678 -13.312 1.00 0.00 C ATOM 121 CG GLN A 12 -19.704 -14.953 -13.318 1.00 0.00 C ATOM 122 CD GLN A 12 -21.066 -14.713 -13.970 1.00 0.00 C ATOM 123 OE1 GLN A 12 -21.200 -14.691 -15.195 1.00 0.00 O ATOM 124 NE2 GLN A 12 -22.093 -14.499 -13.164 1.00 0.00 N ATOM 0 H GLN A 12 -18.369 -14.858 -15.899 1.00 0.00 H new ATOM 0 HA GLN A 12 -17.195 -12.703 -14.328 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -18.381 -13.566 -12.325 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -19.473 -12.812 -13.470 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -19.182 -15.747 -13.851 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.848 -15.298 -12.294 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -21.961 -14.522 -12.153 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -23.017 -14.311 -13.554 1.00 0.00 H new ATOM 133 N ALA A 13 -15.892 -14.662 -13.043 1.00 0.00 N ATOM 134 CA ALA A 13 -15.278 -15.804 -12.367 1.00 0.00 C ATOM 135 C ALA A 13 -14.857 -15.396 -10.949 1.00 0.00 C ATOM 136 O ALA A 13 -14.461 -14.238 -10.754 1.00 0.00 O ATOM 137 CB ALA A 13 -14.044 -16.303 -13.132 1.00 0.00 C ATOM 0 H ALA A 13 -15.634 -13.761 -12.641 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.012 -16.609 -12.326 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.609 -17.152 -12.606 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.338 -16.610 -14.136 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.308 -15.501 -13.198 1.00 0.00 H new ATOM 143 N PRO A 14 -14.854 -16.320 -9.974 1.00 0.00 N ATOM 144 CA PRO A 14 -14.345 -16.089 -8.630 1.00 0.00 C ATOM 145 C PRO A 14 -12.810 -16.082 -8.645 1.00 0.00 C ATOM 146 O PRO A 14 -12.167 -17.107 -8.416 1.00 0.00 O ATOM 147 CB PRO A 14 -14.947 -17.207 -7.773 1.00 0.00 C ATOM 148 CG PRO A 14 -15.082 -18.367 -8.757 1.00 0.00 C ATOM 149 CD PRO A 14 -15.374 -17.674 -10.088 1.00 0.00 C ATOM 0 HA PRO A 14 -14.627 -15.119 -8.220 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.300 -17.464 -6.934 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -15.912 -16.919 -7.355 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.169 -18.961 -8.805 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.887 -19.044 -8.472 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.898 -18.204 -10.913 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.445 -17.662 -10.292 1.00 0.00 H new ATOM 157 N GLY A 15 -12.211 -14.927 -8.942 1.00 0.00 N ATOM 158 CA GLY A 15 -10.765 -14.757 -8.920 1.00 0.00 C ATOM 159 C GLY A 15 -10.305 -14.296 -7.547 1.00 0.00 C ATOM 160 O GLY A 15 -11.095 -13.768 -6.757 1.00 0.00 O ATOM 0 H GLY A 15 -12.721 -14.083 -9.205 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.278 -15.698 -9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.467 -14.028 -9.674 1.00 0.00 H new ATOM 164 N GLY A 16 -9.012 -14.416 -7.270 1.00 0.00 N ATOM 165 CA GLY A 16 -8.395 -13.913 -6.057 1.00 0.00 C ATOM 166 C GLY A 16 -6.886 -13.882 -6.234 1.00 0.00 C ATOM 167 O GLY A 16 -6.374 -14.409 -7.224 1.00 0.00 O ATOM 0 H GLY A 16 -8.353 -14.876 -7.898 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.767 -12.913 -5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.660 -14.547 -5.211 1.00 0.00 H new ATOM 171 N ILE A 17 -6.174 -13.296 -5.266 1.00 0.00 N ATOM 172 CA ILE A 17 -4.741 -13.019 -5.371 1.00 0.00 C ATOM 173 C ILE A 17 -3.951 -14.273 -5.758 1.00 0.00 C ATOM 174 O ILE A 17 -3.005 -14.176 -6.528 1.00 0.00 O ATOM 175 CB ILE A 17 -4.217 -12.349 -4.073 1.00 0.00 C ATOM 176 CG1 ILE A 17 -2.741 -11.896 -4.160 1.00 0.00 C ATOM 177 CG2 ILE A 17 -4.370 -13.263 -2.838 1.00 0.00 C ATOM 178 CD1 ILE A 17 -2.454 -10.839 -5.231 1.00 0.00 C ATOM 0 H ILE A 17 -6.582 -12.998 -4.380 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.585 -12.307 -6.181 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.844 -11.464 -3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.439 -11.501 -3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.119 -12.769 -4.356 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.989 -12.749 -1.955 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.423 -13.504 -2.692 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.806 -14.183 -2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.394 -10.585 -5.216 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.719 -11.234 -6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.044 -9.946 -5.028 1.00 0.00 H new ATOM 190 N GLN A 18 -4.341 -15.455 -5.273 1.00 0.00 N ATOM 191 CA GLN A 18 -3.610 -16.688 -5.529 1.00 0.00 C ATOM 192 C GLN A 18 -3.605 -17.047 -7.019 1.00 0.00 C ATOM 193 O GLN A 18 -2.607 -17.556 -7.524 1.00 0.00 O ATOM 194 CB GLN A 18 -4.214 -17.824 -4.689 1.00 0.00 C ATOM 195 CG GLN A 18 -3.103 -18.686 -4.081 1.00 0.00 C ATOM 196 CD GLN A 18 -3.656 -19.862 -3.281 1.00 0.00 C ATOM 197 OE1 GLN A 18 -3.267 -21.011 -3.491 1.00 0.00 O ATOM 198 NE2 GLN A 18 -4.526 -19.615 -2.314 1.00 0.00 N ATOM 0 H GLN A 18 -5.171 -15.579 -4.694 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.570 -16.540 -5.238 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.836 -17.408 -3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.862 -18.441 -5.312 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.460 -19.061 -4.877 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.481 -18.069 -3.433 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.844 -18.661 -2.146 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.878 -20.379 -1.737 1.00 0.00 H new ATOM 207 N GLU A 19 -4.704 -16.788 -7.726 1.00 0.00 N ATOM 208 CA GLU A 19 -4.835 -17.009 -9.157 1.00 0.00 C ATOM 209 C GLU A 19 -4.055 -15.938 -9.919 1.00 0.00 C ATOM 210 O GLU A 19 -3.382 -16.253 -10.895 1.00 0.00 O ATOM 211 CB GLU A 19 -6.323 -17.013 -9.522 1.00 0.00 C ATOM 212 CG GLU A 19 -6.570 -17.284 -11.012 1.00 0.00 C ATOM 213 CD GLU A 19 -8.022 -17.688 -11.268 1.00 0.00 C ATOM 214 OE1 GLU A 19 -8.949 -17.002 -10.780 1.00 0.00 O ATOM 215 OE2 GLU A 19 -8.274 -18.683 -11.989 1.00 0.00 O ATOM 0 H GLU A 19 -5.550 -16.408 -7.302 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.414 -17.974 -9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.835 -17.771 -8.930 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.760 -16.051 -9.255 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.331 -16.392 -11.591 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.904 -18.075 -11.356 1.00 0.00 H new ATOM 222 N ILE A 20 -4.085 -14.685 -9.455 1.00 0.00 N ATOM 223 CA ILE A 20 -3.307 -13.607 -10.055 1.00 0.00 C ATOM 224 C ILE A 20 -1.813 -13.932 -9.961 1.00 0.00 C ATOM 225 O ILE A 20 -1.091 -13.839 -10.950 1.00 0.00 O ATOM 226 CB ILE A 20 -3.657 -12.255 -9.399 1.00 0.00 C ATOM 227 CG1 ILE A 20 -5.163 -11.915 -9.436 1.00 0.00 C ATOM 228 CG2 ILE A 20 -2.845 -11.148 -10.076 1.00 0.00 C ATOM 229 CD1 ILE A 20 -5.815 -11.982 -10.820 1.00 0.00 C ATOM 0 H ILE A 20 -4.648 -14.394 -8.656 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.560 -13.519 -11.112 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.399 -12.335 -8.343 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.690 -12.599 -8.771 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.302 -10.911 -9.035 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.086 -10.188 -9.619 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.781 -11.351 -9.954 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.089 -11.115 -11.138 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.871 -11.727 -10.737 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.322 -11.276 -11.489 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.716 -12.991 -11.220 1.00 0.00 H new ATOM 241 N VAL A 21 -1.342 -14.355 -8.790 1.00 0.00 N ATOM 242 CA VAL A 21 0.024 -14.809 -8.580 1.00 0.00 C ATOM 243 C VAL A 21 0.326 -15.966 -9.531 1.00 0.00 C ATOM 244 O VAL A 21 1.384 -15.984 -10.153 1.00 0.00 O ATOM 245 CB VAL A 21 0.185 -15.212 -7.103 1.00 0.00 C ATOM 246 CG1 VAL A 21 1.539 -15.858 -6.815 1.00 0.00 C ATOM 247 CG2 VAL A 21 0.035 -14.028 -6.135 1.00 0.00 C ATOM 0 H VAL A 21 -1.913 -14.391 -7.946 1.00 0.00 H new ATOM 0 HA VAL A 21 0.739 -14.015 -8.796 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.619 -15.929 -6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.599 -16.122 -5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.649 -16.757 -7.421 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.336 -15.156 -7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.159 -14.378 -5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.794 -13.278 -6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.955 -13.587 -6.250 1.00 0.00 H new ATOM 257 N ALA A 22 -0.616 -16.898 -9.683 1.00 0.00 N ATOM 258 CA ALA A 22 -0.472 -18.063 -10.550 1.00 0.00 C ATOM 259 C ALA A 22 -0.429 -17.687 -12.038 1.00 0.00 C ATOM 260 O ALA A 22 -0.169 -18.558 -12.875 1.00 0.00 O ATOM 261 CB ALA A 22 -1.619 -19.039 -10.278 1.00 0.00 C ATOM 0 H ALA A 22 -1.513 -16.862 -9.199 1.00 0.00 H new ATOM 0 HA ALA A 22 0.483 -18.535 -10.320 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.516 -19.911 -10.924 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.589 -19.354 -9.235 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.571 -18.548 -10.481 1.00 0.00 H new ATOM 267 N MET A 23 -0.703 -16.427 -12.376 1.00 0.00 N ATOM 268 CA MET A 23 -0.660 -15.844 -13.710 1.00 0.00 C ATOM 269 C MET A 23 0.498 -14.862 -13.856 1.00 0.00 C ATOM 270 O MET A 23 0.809 -14.447 -14.974 1.00 0.00 O ATOM 271 CB MET A 23 -1.989 -15.130 -13.969 1.00 0.00 C ATOM 272 CG MET A 23 -3.118 -16.134 -14.183 1.00 0.00 C ATOM 273 SD MET A 23 -3.129 -16.820 -15.859 1.00 0.00 S ATOM 274 CE MET A 23 -2.345 -18.426 -15.573 1.00 0.00 C ATOM 0 H MET A 23 -0.980 -15.742 -11.673 1.00 0.00 H new ATOM 0 HA MET A 23 -0.505 -16.639 -14.439 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.228 -14.483 -13.125 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.897 -14.489 -14.846 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.019 -16.946 -13.462 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.074 -15.648 -13.987 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.893 -19.199 -16.111 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.315 -18.397 -15.929 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.354 -18.650 -14.506 1.00 0.00 H new ATOM 284 N SER A 24 1.165 -14.508 -12.761 1.00 0.00 N ATOM 285 CA SER A 24 2.305 -13.621 -12.783 1.00 0.00 C ATOM 286 C SER A 24 3.473 -14.322 -13.485 1.00 0.00 C ATOM 287 O SER A 24 3.633 -15.542 -13.345 1.00 0.00 O ATOM 288 CB SER A 24 2.651 -13.286 -11.334 1.00 0.00 C ATOM 289 OG SER A 24 3.614 -12.263 -11.204 1.00 0.00 O ATOM 0 H SER A 24 0.920 -14.837 -11.827 1.00 0.00 H new ATOM 0 HA SER A 24 2.090 -12.702 -13.329 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.742 -12.986 -10.813 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.020 -14.185 -10.840 1.00 0.00 H new ATOM 0 HG SER A 24 4.272 -12.518 -10.524 1.00 0.00 H new ATOM 295 N PRO A 25 4.335 -13.563 -14.177 1.00 0.00 N ATOM 296 CA PRO A 25 5.657 -14.033 -14.532 1.00 0.00 C ATOM 297 C PRO A 25 6.514 -14.145 -13.272 1.00 0.00 C ATOM 298 O PRO A 25 6.085 -13.769 -12.174 1.00 0.00 O ATOM 299 CB PRO A 25 6.196 -12.998 -15.522 1.00 0.00 C ATOM 300 CG PRO A 25 5.486 -11.700 -15.151 1.00 0.00 C ATOM 301 CD PRO A 25 4.177 -12.159 -14.511 1.00 0.00 C ATOM 0 HA PRO A 25 5.657 -15.025 -14.984 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.278 -12.895 -15.438 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.982 -13.286 -16.551 1.00 0.00 H new ATOM 0 HG2 PRO A 25 6.081 -11.105 -14.458 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.304 -11.080 -16.029 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.958 -11.573 -13.618 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.342 -12.018 -15.198 1.00 0.00 H new ATOM 309 N GLU A 26 7.745 -14.627 -13.441 1.00 0.00 N ATOM 310 CA GLU A 26 8.766 -14.489 -12.420 1.00 0.00 C ATOM 311 C GLU A 26 8.942 -13.001 -12.128 1.00 0.00 C ATOM 312 O GLU A 26 9.251 -12.218 -13.027 1.00 0.00 O ATOM 313 CB GLU A 26 10.086 -15.129 -12.878 1.00 0.00 C ATOM 314 CG GLU A 26 10.522 -16.185 -11.867 1.00 0.00 C ATOM 315 CD GLU A 26 11.846 -16.860 -12.200 1.00 0.00 C ATOM 316 OE1 GLU A 26 12.865 -16.172 -12.421 1.00 0.00 O ATOM 317 OE2 GLU A 26 11.877 -18.113 -12.223 1.00 0.00 O ATOM 0 H GLU A 26 8.053 -15.117 -14.281 1.00 0.00 H new ATOM 0 HA GLU A 26 8.463 -15.008 -11.511 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.960 -15.583 -13.861 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.857 -14.365 -12.976 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.601 -15.720 -10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.746 -16.947 -11.797 1.00 0.00 H new ATOM 324 N LEU A 27 8.707 -12.614 -10.881 1.00 0.00 N ATOM 325 CA LEU A 27 8.698 -11.234 -10.431 1.00 0.00 C ATOM 326 C LEU A 27 9.915 -11.045 -9.559 1.00 0.00 C ATOM 327 O LEU A 27 10.143 -11.841 -8.645 1.00 0.00 O ATOM 328 CB LEU A 27 7.385 -10.950 -9.708 1.00 0.00 C ATOM 329 CG LEU A 27 6.571 -9.851 -10.398 1.00 0.00 C ATOM 330 CD1 LEU A 27 6.240 -10.178 -11.858 1.00 0.00 C ATOM 331 CD2 LEU A 27 5.294 -9.695 -9.591 1.00 0.00 C ATOM 0 H LEU A 27 8.511 -13.278 -10.132 1.00 0.00 H new ATOM 0 HA LEU A 27 8.751 -10.523 -11.256 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.793 -11.864 -9.662 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.595 -10.654 -8.680 1.00 0.00 H new ATOM 0 HG LEU A 27 7.155 -8.931 -10.430 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.662 -9.362 -12.292 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.165 -10.307 -12.421 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.657 -11.098 -11.902 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.672 -8.920 -10.040 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.750 -10.639 -9.585 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.542 -9.413 -8.568 1.00 0.00 H new ATOM 343 N ASP A 28 10.737 -10.052 -9.875 1.00 0.00 N ATOM 344 CA ASP A 28 11.997 -9.815 -9.181 1.00 0.00 C ATOM 345 C ASP A 28 11.738 -9.336 -7.757 1.00 0.00 C ATOM 346 O ASP A 28 11.649 -8.136 -7.505 1.00 0.00 O ATOM 347 CB ASP A 28 12.862 -8.819 -9.955 1.00 0.00 C ATOM 348 CG ASP A 28 14.310 -8.864 -9.456 1.00 0.00 C ATOM 349 OD1 ASP A 28 14.561 -9.104 -8.249 1.00 0.00 O ATOM 350 OD2 ASP A 28 15.237 -8.662 -10.271 1.00 0.00 O ATOM 0 H ASP A 28 10.548 -9.385 -10.623 1.00 0.00 H new ATOM 0 HA ASP A 28 12.546 -10.755 -9.125 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.831 -9.052 -11.019 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.462 -7.812 -9.837 1.00 0.00 H new ATOM 355 N THR A 29 11.576 -10.269 -6.821 1.00 0.00 N ATOM 356 CA THR A 29 11.166 -9.987 -5.453 1.00 0.00 C ATOM 357 C THR A 29 12.066 -8.917 -4.850 1.00 0.00 C ATOM 358 O THR A 29 11.571 -7.925 -4.320 1.00 0.00 O ATOM 359 CB THR A 29 11.173 -11.280 -4.619 1.00 0.00 C ATOM 360 OG1 THR A 29 12.404 -11.972 -4.698 1.00 0.00 O ATOM 361 CG2 THR A 29 10.082 -12.238 -5.097 1.00 0.00 C ATOM 0 H THR A 29 11.730 -11.261 -6.999 1.00 0.00 H new ATOM 0 HA THR A 29 10.146 -9.602 -5.451 1.00 0.00 H new ATOM 0 HB THR A 29 11.001 -10.968 -3.589 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.461 -12.623 -3.968 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.105 -13.146 -4.494 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.108 -11.760 -4.996 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.254 -12.493 -6.143 1.00 0.00 H new ATOM 369 N TYR A 30 13.379 -9.106 -4.977 1.00 0.00 N ATOM 370 CA TYR A 30 14.409 -8.192 -4.555 1.00 0.00 C ATOM 371 C TYR A 30 14.173 -6.795 -5.108 1.00 0.00 C ATOM 372 O TYR A 30 13.983 -5.861 -4.328 1.00 0.00 O ATOM 373 CB TYR A 30 15.755 -8.759 -4.998 1.00 0.00 C ATOM 374 CG TYR A 30 16.903 -8.173 -4.227 1.00 0.00 C ATOM 375 CD1 TYR A 30 17.131 -8.659 -2.934 1.00 0.00 C ATOM 376 CD2 TYR A 30 17.714 -7.163 -4.770 1.00 0.00 C ATOM 377 CE1 TYR A 30 18.210 -8.172 -2.181 1.00 0.00 C ATOM 378 CE2 TYR A 30 18.776 -6.649 -4.006 1.00 0.00 C ATOM 379 CZ TYR A 30 19.026 -7.145 -2.704 1.00 0.00 C ATOM 380 OH TYR A 30 20.049 -6.625 -1.970 1.00 0.00 O ATOM 0 H TYR A 30 13.761 -9.951 -5.402 1.00 0.00 H new ATOM 0 HA TYR A 30 14.396 -8.092 -3.470 1.00 0.00 H new ATOM 0 HB2 TYR A 30 15.750 -9.842 -4.871 1.00 0.00 H new ATOM 0 HB3 TYR A 30 15.897 -8.563 -6.061 1.00 0.00 H new ATOM 0 HD1 TYR A 30 16.476 -9.409 -2.516 1.00 0.00 H new ATOM 0 HD2 TYR A 30 17.524 -6.785 -5.764 1.00 0.00 H new ATOM 0 HE1 TYR A 30 18.416 -8.582 -1.203 1.00 0.00 H new ATOM 0 HE2 TYR A 30 19.405 -5.872 -4.415 1.00 0.00 H new ATOM 0 HH TYR A 30 20.503 -5.929 -2.489 1.00 0.00 H new ATOM 390 N SER A 31 14.168 -6.646 -6.431 1.00 0.00 N ATOM 391 CA SER A 31 14.069 -5.335 -7.049 1.00 0.00 C ATOM 392 C SER A 31 12.721 -4.685 -6.710 1.00 0.00 C ATOM 393 O SER A 31 12.684 -3.477 -6.492 1.00 0.00 O ATOM 394 CB SER A 31 14.329 -5.471 -8.553 1.00 0.00 C ATOM 395 OG SER A 31 14.851 -4.270 -9.092 1.00 0.00 O ATOM 0 H SER A 31 14.232 -7.420 -7.092 1.00 0.00 H new ATOM 0 HA SER A 31 14.829 -4.662 -6.652 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.029 -6.287 -8.732 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.401 -5.729 -9.064 1.00 0.00 H new ATOM 0 HG SER A 31 15.010 -4.384 -10.052 1.00 0.00 H new ATOM 401 N ILE A 32 11.627 -5.437 -6.582 1.00 0.00 N ATOM 402 CA ILE A 32 10.341 -4.917 -6.123 1.00 0.00 C ATOM 403 C ILE A 32 10.526 -4.396 -4.697 1.00 0.00 C ATOM 404 O ILE A 32 10.153 -3.257 -4.452 1.00 0.00 O ATOM 405 CB ILE A 32 9.249 -6.008 -6.269 1.00 0.00 C ATOM 406 CG1 ILE A 32 9.024 -6.312 -7.767 1.00 0.00 C ATOM 407 CG2 ILE A 32 7.904 -5.649 -5.607 1.00 0.00 C ATOM 408 CD1 ILE A 32 8.376 -7.675 -7.991 1.00 0.00 C ATOM 0 H ILE A 32 11.610 -6.434 -6.797 1.00 0.00 H new ATOM 0 HA ILE A 32 9.996 -4.081 -6.732 1.00 0.00 H new ATOM 0 HB ILE A 32 9.621 -6.885 -5.740 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.393 -5.537 -8.202 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.980 -6.276 -8.290 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.196 -6.465 -5.755 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.055 -5.489 -4.539 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.508 -4.739 -6.058 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.239 -7.842 -9.059 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.018 -8.455 -7.582 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.407 -7.704 -7.492 1.00 0.00 H new ATOM 420 N THR A 33 11.148 -5.132 -3.765 1.00 0.00 N ATOM 421 CA THR A 33 11.346 -4.615 -2.405 1.00 0.00 C ATOM 422 C THR A 33 12.131 -3.307 -2.405 1.00 0.00 C ATOM 423 O THR A 33 11.819 -2.393 -1.648 1.00 0.00 O ATOM 424 CB THR A 33 12.027 -5.629 -1.470 1.00 0.00 C ATOM 425 OG1 THR A 33 13.387 -5.892 -1.755 1.00 0.00 O ATOM 426 CG2 THR A 33 11.281 -6.955 -1.406 1.00 0.00 C ATOM 0 H THR A 33 11.516 -6.070 -3.924 1.00 0.00 H new ATOM 0 HA THR A 33 10.345 -4.428 -2.017 1.00 0.00 H new ATOM 0 HB THR A 33 11.990 -5.128 -0.503 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.470 -6.225 -2.673 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.804 -7.634 -0.733 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.269 -6.786 -1.037 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.235 -7.395 -2.402 1.00 0.00 H new ATOM 434 N LYS A 34 13.150 -3.223 -3.257 1.00 0.00 N ATOM 435 CA LYS A 34 13.971 -2.038 -3.442 1.00 0.00 C ATOM 436 C LYS A 34 13.090 -0.901 -3.929 1.00 0.00 C ATOM 437 O LYS A 34 12.987 0.094 -3.228 1.00 0.00 O ATOM 438 CB LYS A 34 15.161 -2.331 -4.363 1.00 0.00 C ATOM 439 CG LYS A 34 16.201 -3.187 -3.620 1.00 0.00 C ATOM 440 CD LYS A 34 17.563 -3.156 -4.312 1.00 0.00 C ATOM 441 CE LYS A 34 18.319 -1.854 -4.023 1.00 0.00 C ATOM 442 NZ LYS A 34 19.603 -1.782 -4.747 1.00 0.00 N ATOM 0 H LYS A 34 13.432 -4.002 -3.853 1.00 0.00 H new ATOM 0 HA LYS A 34 14.411 -1.730 -2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.820 -2.853 -5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.615 -1.397 -4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.305 -2.825 -2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.848 -4.216 -3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.160 -4.005 -3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.427 -3.266 -5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.697 -1.005 -4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.503 -1.773 -2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.079 -0.885 -4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.209 -2.577 -4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.428 -1.833 -5.771 1.00 0.00 H new ATOM 456 N ARG A 35 12.394 -1.059 -5.053 1.00 0.00 N ATOM 457 CA ARG A 35 11.516 -0.049 -5.645 1.00 0.00 C ATOM 458 C ARG A 35 10.400 0.362 -4.684 1.00 0.00 C ATOM 459 O ARG A 35 10.004 1.520 -4.665 1.00 0.00 O ATOM 460 CB ARG A 35 10.952 -0.620 -6.958 1.00 0.00 C ATOM 461 CG ARG A 35 10.677 0.405 -8.071 1.00 0.00 C ATOM 462 CD ARG A 35 9.341 1.099 -7.837 1.00 0.00 C ATOM 463 NE ARG A 35 8.818 1.756 -9.046 1.00 0.00 N ATOM 464 CZ ARG A 35 8.789 3.073 -9.301 1.00 0.00 C ATOM 465 NH1 ARG A 35 9.420 3.938 -8.515 1.00 0.00 N ATOM 466 NH2 ARG A 35 8.108 3.518 -10.345 1.00 0.00 N ATOM 0 H ARG A 35 12.426 -1.922 -5.596 1.00 0.00 H new ATOM 0 HA ARG A 35 12.084 0.858 -5.851 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.653 -1.363 -7.339 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.022 -1.144 -6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.478 1.144 -8.099 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.670 -0.094 -9.040 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.614 0.368 -7.484 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.456 1.841 -7.047 1.00 0.00 H new ATOM 0 HE ARG A 35 8.437 1.144 -9.768 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.938 3.605 -7.702 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.387 4.936 -8.725 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.611 2.862 -10.947 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.080 4.517 -10.547 1.00 0.00 H new ATOM 480 N VAL A 36 9.888 -0.560 -3.876 1.00 0.00 N ATOM 481 CA VAL A 36 8.898 -0.259 -2.861 1.00 0.00 C ATOM 482 C VAL A 36 9.553 0.616 -1.793 1.00 0.00 C ATOM 483 O VAL A 36 9.012 1.662 -1.459 1.00 0.00 O ATOM 484 CB VAL A 36 8.297 -1.576 -2.331 1.00 0.00 C ATOM 485 CG1 VAL A 36 7.519 -1.360 -1.026 1.00 0.00 C ATOM 486 CG2 VAL A 36 7.299 -2.152 -3.354 1.00 0.00 C ATOM 0 H VAL A 36 10.154 -1.544 -3.911 1.00 0.00 H new ATOM 0 HA VAL A 36 8.058 0.310 -3.259 1.00 0.00 H new ATOM 0 HB VAL A 36 9.132 -2.255 -2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.111 -2.311 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.189 -0.958 -0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.704 -0.657 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.880 -3.082 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.496 -1.435 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.814 -2.347 -4.295 1.00 0.00 H new ATOM 496 N LYS A 37 10.718 0.231 -1.265 1.00 0.00 N ATOM 497 CA LYS A 37 11.445 1.033 -0.283 1.00 0.00 C ATOM 498 C LYS A 37 11.749 2.419 -0.819 1.00 0.00 C ATOM 499 O LYS A 37 11.607 3.375 -0.059 1.00 0.00 O ATOM 500 CB LYS A 37 12.740 0.331 0.137 1.00 0.00 C ATOM 501 CG LYS A 37 12.429 -0.722 1.199 1.00 0.00 C ATOM 502 CD LYS A 37 13.675 -1.497 1.637 1.00 0.00 C ATOM 503 CE LYS A 37 14.069 -2.544 0.584 1.00 0.00 C ATOM 504 NZ LYS A 37 15.514 -2.827 0.616 1.00 0.00 N ATOM 0 H LYS A 37 11.182 -0.645 -1.507 1.00 0.00 H new ATOM 0 HA LYS A 37 10.805 1.142 0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.209 -0.138 -0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.450 1.059 0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.982 -0.237 2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.689 -1.420 0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.502 -0.805 1.794 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.485 -1.989 2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.513 -3.465 0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.789 -2.187 -0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.745 -3.538 -0.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.043 -1.953 0.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.776 -3.191 1.554 1.00 0.00 H new ATOM 518 N GLU A 38 12.130 2.507 -2.094 1.00 0.00 N ATOM 519 CA GLU A 38 12.335 3.766 -2.799 1.00 0.00 C ATOM 520 C GLU A 38 11.089 4.622 -2.615 1.00 0.00 C ATOM 521 O GLU A 38 11.166 5.656 -1.963 1.00 0.00 O ATOM 522 CB GLU A 38 12.637 3.592 -4.293 1.00 0.00 C ATOM 523 CG GLU A 38 13.931 2.865 -4.652 1.00 0.00 C ATOM 524 CD GLU A 38 15.157 3.763 -4.643 1.00 0.00 C ATOM 525 OE1 GLU A 38 15.237 4.664 -5.510 1.00 0.00 O ATOM 526 OE2 GLU A 38 16.067 3.489 -3.829 1.00 0.00 O ATOM 0 H GLU A 38 12.307 1.687 -2.674 1.00 0.00 H new ATOM 0 HA GLU A 38 13.216 4.246 -2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.806 3.052 -4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.664 4.580 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.085 2.047 -3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.825 2.419 -5.641 1.00 0.00 H new ATOM 533 N VAL A 39 9.943 4.156 -3.122 1.00 0.00 N ATOM 534 CA VAL A 39 8.668 4.865 -3.087 1.00 0.00 C ATOM 535 C VAL A 39 8.283 5.232 -1.649 1.00 0.00 C ATOM 536 O VAL A 39 7.820 6.348 -1.419 1.00 0.00 O ATOM 537 CB VAL A 39 7.592 4.028 -3.817 1.00 0.00 C ATOM 538 CG1 VAL A 39 6.167 4.565 -3.633 1.00 0.00 C ATOM 539 CG2 VAL A 39 7.879 4.009 -5.326 1.00 0.00 C ATOM 0 H VAL A 39 9.879 3.247 -3.581 1.00 0.00 H new ATOM 0 HA VAL A 39 8.756 5.813 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 39 7.644 3.033 -3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.466 3.928 -4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.913 4.568 -2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.108 5.581 -4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.117 3.418 -5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.864 5.028 -5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.860 3.568 -5.504 1.00 0.00 H new ATOM 549 N LEU A 40 8.452 4.329 -0.681 1.00 0.00 N ATOM 550 CA LEU A 40 8.121 4.602 0.712 1.00 0.00 C ATOM 551 C LEU A 40 8.971 5.751 1.259 1.00 0.00 C ATOM 552 O LEU A 40 8.411 6.654 1.873 1.00 0.00 O ATOM 553 CB LEU A 40 8.285 3.352 1.599 1.00 0.00 C ATOM 554 CG LEU A 40 7.325 2.176 1.345 1.00 0.00 C ATOM 555 CD1 LEU A 40 7.815 0.945 2.117 1.00 0.00 C ATOM 556 CD2 LEU A 40 5.890 2.487 1.763 1.00 0.00 C ATOM 0 H LEU A 40 8.821 3.392 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 40 7.071 4.894 0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.305 2.986 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.174 3.659 2.639 1.00 0.00 H new ATOM 0 HG LEU A 40 7.321 1.988 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.137 0.110 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.816 0.678 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.841 1.171 3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.257 1.623 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.863 2.716 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.524 3.344 1.198 1.00 0.00 H new ATOM 568 N THR A 41 10.289 5.727 1.067 1.00 0.00 N ATOM 569 CA THR A 41 11.181 6.790 1.514 1.00 0.00 C ATOM 570 C THR A 41 10.878 8.089 0.756 1.00 0.00 C ATOM 571 O THR A 41 10.725 9.130 1.396 1.00 0.00 O ATOM 572 CB THR A 41 12.633 6.296 1.372 1.00 0.00 C ATOM 573 OG1 THR A 41 12.946 5.455 2.473 1.00 0.00 O ATOM 574 CG2 THR A 41 13.685 7.399 1.289 1.00 0.00 C ATOM 0 H THR A 41 10.769 4.962 0.593 1.00 0.00 H new ATOM 0 HA THR A 41 11.024 7.029 2.566 1.00 0.00 H new ATOM 0 HB THR A 41 12.672 5.767 0.420 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.869 5.135 2.389 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.674 6.952 1.191 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.484 8.029 0.423 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.649 8.005 2.194 1.00 0.00 H new ATOM 582 N ASP A 42 10.737 8.032 -0.572 1.00 0.00 N ATOM 583 CA ASP A 42 10.399 9.147 -1.461 1.00 0.00 C ATOM 584 C ASP A 42 9.243 9.931 -0.862 1.00 0.00 C ATOM 585 O ASP A 42 9.319 11.139 -0.645 1.00 0.00 O ATOM 586 CB ASP A 42 9.957 8.620 -2.846 1.00 0.00 C ATOM 587 CG ASP A 42 10.971 8.848 -3.949 1.00 0.00 C ATOM 588 OD1 ASP A 42 11.257 10.034 -4.228 1.00 0.00 O ATOM 589 OD2 ASP A 42 11.427 7.866 -4.582 1.00 0.00 O ATOM 0 H ASP A 42 10.863 7.158 -1.083 1.00 0.00 H new ATOM 0 HA ASP A 42 11.280 9.779 -1.574 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.755 7.552 -2.768 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.020 9.102 -3.124 1.00 0.00 H new ATOM 594 N ASN A 43 8.170 9.200 -0.575 1.00 0.00 N ATOM 595 CA ASN A 43 6.878 9.747 -0.205 1.00 0.00 C ATOM 596 C ASN A 43 6.713 9.876 1.306 1.00 0.00 C ATOM 597 O ASN A 43 5.624 10.224 1.768 1.00 0.00 O ATOM 598 CB ASN A 43 5.803 8.863 -0.842 1.00 0.00 C ATOM 599 CG ASN A 43 5.822 9.039 -2.356 1.00 0.00 C ATOM 600 OD1 ASN A 43 5.402 10.058 -2.893 1.00 0.00 O ATOM 601 ND2 ASN A 43 6.374 8.092 -3.088 1.00 0.00 N ATOM 0 H ASN A 43 8.181 8.180 -0.595 1.00 0.00 H new ATOM 0 HA ASN A 43 6.784 10.766 -0.579 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.979 7.818 -0.586 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.822 9.127 -0.448 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.451 8.208 -4.098 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.724 7.243 -2.644 1.00 0.00 H new ATOM 608 N ASN A 44 7.791 9.624 2.060 1.00 0.00 N ATOM 609 CA ASN A 44 7.891 9.678 3.516 1.00 0.00 C ATOM 610 C ASN A 44 6.745 8.905 4.179 1.00 0.00 C ATOM 611 O ASN A 44 6.049 9.397 5.070 1.00 0.00 O ATOM 612 CB ASN A 44 8.008 11.132 3.987 1.00 0.00 C ATOM 613 CG ASN A 44 9.373 11.746 3.702 1.00 0.00 C ATOM 614 OD1 ASN A 44 10.206 11.826 4.598 1.00 0.00 O ATOM 615 ND2 ASN A 44 9.648 12.207 2.491 1.00 0.00 N ATOM 0 H ASN A 44 8.678 9.358 1.633 1.00 0.00 H new ATOM 0 HA ASN A 44 8.804 9.175 3.834 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.239 11.729 3.497 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.813 11.177 5.058 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.556 12.631 2.301 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.952 12.138 1.749 1.00 0.00 H new ATOM 622 N LEU A 45 6.512 7.688 3.697 1.00 0.00 N ATOM 623 CA LEU A 45 5.458 6.778 4.131 1.00 0.00 C ATOM 624 C LEU A 45 5.944 5.924 5.303 1.00 0.00 C ATOM 625 O LEU A 45 7.141 5.850 5.586 1.00 0.00 O ATOM 626 CB LEU A 45 5.073 5.874 2.947 1.00 0.00 C ATOM 627 CG LEU A 45 4.304 6.621 1.839 1.00 0.00 C ATOM 628 CD1 LEU A 45 4.346 5.820 0.534 1.00 0.00 C ATOM 629 CD2 LEU A 45 2.851 6.864 2.260 1.00 0.00 C ATOM 0 H LEU A 45 7.085 7.289 2.953 1.00 0.00 H new ATOM 0 HA LEU A 45 4.591 7.351 4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.977 5.438 2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.462 5.049 3.312 1.00 0.00 H new ATOM 0 HG LEU A 45 4.784 7.586 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.800 6.358 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.382 5.687 0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.887 4.844 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.325 7.392 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.361 5.908 2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.831 7.465 3.169 1.00 0.00 H new ATOM 641 N GLY A 46 5.020 5.222 5.956 1.00 0.00 N ATOM 642 CA GLY A 46 5.314 4.233 6.977 1.00 0.00 C ATOM 643 C GLY A 46 5.388 2.869 6.312 1.00 0.00 C ATOM 644 O GLY A 46 4.394 2.417 5.738 1.00 0.00 O ATOM 0 H GLY A 46 4.021 5.332 5.781 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.257 4.466 7.471 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.541 4.239 7.746 1.00 0.00 H new ATOM 648 N GLN A 47 6.545 2.211 6.383 1.00 0.00 N ATOM 649 CA GLN A 47 6.754 0.853 5.927 1.00 0.00 C ATOM 650 C GLN A 47 5.706 -0.067 6.574 1.00 0.00 C ATOM 651 O GLN A 47 5.039 -0.796 5.838 1.00 0.00 O ATOM 652 CB GLN A 47 8.225 0.497 6.208 1.00 0.00 C ATOM 653 CG GLN A 47 8.665 -0.857 5.736 1.00 0.00 C ATOM 654 CD GLN A 47 10.094 -1.204 6.148 1.00 0.00 C ATOM 655 OE1 GLN A 47 10.441 -2.472 6.124 1.00 0.00 O flip ATOM 656 NE2 GLN A 47 10.917 -0.361 6.498 1.00 0.00 N flip ATOM 0 H GLN A 47 7.388 2.631 6.775 1.00 0.00 H new ATOM 0 HA GLN A 47 6.603 0.727 4.855 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.858 1.249 5.738 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.397 0.561 7.282 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.986 -1.611 6.134 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.587 -0.899 4.650 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.659 0.625 6.520 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.858 -0.648 6.766 1.00 0.00 H new ATOM 665 N ARG A 48 5.462 0.025 7.892 1.00 0.00 N ATOM 666 CA ARG A 48 4.374 -0.725 8.538 1.00 0.00 C ATOM 667 C ARG A 48 3.059 -0.564 7.785 1.00 0.00 C ATOM 668 O ARG A 48 2.440 -1.564 7.456 1.00 0.00 O ATOM 669 CB ARG A 48 4.190 -0.304 10.006 1.00 0.00 C ATOM 670 CG ARG A 48 2.990 -1.028 10.658 1.00 0.00 C ATOM 671 CD ARG A 48 2.927 -0.849 12.179 1.00 0.00 C ATOM 672 NE ARG A 48 1.735 -0.118 12.653 1.00 0.00 N ATOM 673 CZ ARG A 48 1.277 -0.144 13.915 1.00 0.00 C ATOM 674 NH1 ARG A 48 1.759 -1.005 14.805 1.00 0.00 N ATOM 675 NH2 ARG A 48 0.321 0.695 14.283 1.00 0.00 N ATOM 0 H ARG A 48 6.003 0.610 8.529 1.00 0.00 H new ATOM 0 HA ARG A 48 4.661 -1.776 8.513 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.098 -0.527 10.566 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.039 0.774 10.060 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.066 -0.655 10.217 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.047 -2.092 10.426 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.948 -1.832 12.650 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.820 -0.318 12.508 1.00 0.00 H new ATOM 0 HE ARG A 48 1.224 0.446 11.974 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.491 -1.662 14.534 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.398 -1.009 15.759 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.064 1.357 13.609 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.031 0.679 15.240 1.00 0.00 H new ATOM 689 N LEU A 49 2.634 0.676 7.534 1.00 0.00 N ATOM 690 CA LEU A 49 1.321 0.991 6.980 1.00 0.00 C ATOM 691 C LEU A 49 1.103 0.251 5.662 1.00 0.00 C ATOM 692 O LEU A 49 0.056 -0.339 5.415 1.00 0.00 O ATOM 693 CB LEU A 49 1.220 2.506 6.740 1.00 0.00 C ATOM 694 CG LEU A 49 -0.204 3.090 6.777 1.00 0.00 C ATOM 695 CD1 LEU A 49 -0.223 4.376 5.954 1.00 0.00 C ATOM 696 CD2 LEU A 49 -1.355 2.188 6.340 1.00 0.00 C ATOM 0 H LEU A 49 3.205 1.502 7.714 1.00 0.00 H new ATOM 0 HA LEU A 49 0.555 0.675 7.689 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.823 3.016 7.491 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.662 2.733 5.770 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.402 3.250 7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.226 4.803 5.970 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.482 5.090 6.379 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.061 4.154 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.295 2.734 6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.202 1.877 5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.391 1.308 6.982 1.00 0.00 H new ATOM 708 N PHE A 50 2.118 0.275 4.804 1.00 0.00 N ATOM 709 CA PHE A 50 2.089 -0.429 3.541 1.00 0.00 C ATOM 710 C PHE A 50 1.884 -1.933 3.748 1.00 0.00 C ATOM 711 O PHE A 50 1.100 -2.547 3.026 1.00 0.00 O ATOM 712 CB PHE A 50 3.384 -0.108 2.806 1.00 0.00 C ATOM 713 CG PHE A 50 3.669 -0.989 1.614 1.00 0.00 C ATOM 714 CD1 PHE A 50 4.319 -2.224 1.804 1.00 0.00 C ATOM 715 CD2 PHE A 50 3.308 -0.575 0.322 1.00 0.00 C ATOM 716 CE1 PHE A 50 4.716 -2.996 0.709 1.00 0.00 C ATOM 717 CE2 PHE A 50 3.639 -1.386 -0.772 1.00 0.00 C ATOM 718 CZ PHE A 50 4.377 -2.563 -0.583 1.00 0.00 C ATOM 0 H PHE A 50 2.984 0.787 4.972 1.00 0.00 H new ATOM 0 HA PHE A 50 1.243 -0.102 2.937 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.349 0.929 2.474 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.214 -0.190 3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.512 -2.578 2.806 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.782 0.356 0.173 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.274 -3.909 0.854 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.324 -1.103 -1.766 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.688 -3.142 -1.440 1.00 0.00 H new ATOM 728 N GLY A 51 2.583 -2.545 4.708 1.00 0.00 N ATOM 729 CA GLY A 51 2.384 -3.957 4.992 1.00 0.00 C ATOM 730 C GLY A 51 0.972 -4.190 5.480 1.00 0.00 C ATOM 731 O GLY A 51 0.298 -5.059 4.952 1.00 0.00 O ATOM 0 H GLY A 51 3.282 -2.086 5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.570 -4.547 4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.098 -4.289 5.746 1.00 0.00 H new ATOM 735 N GLU A 52 0.524 -3.397 6.443 1.00 0.00 N ATOM 736 CA GLU A 52 -0.776 -3.490 7.071 1.00 0.00 C ATOM 737 C GLU A 52 -1.877 -3.462 6.008 1.00 0.00 C ATOM 738 O GLU A 52 -2.646 -4.414 5.889 1.00 0.00 O ATOM 739 CB GLU A 52 -0.902 -2.344 8.081 1.00 0.00 C ATOM 740 CG GLU A 52 -0.157 -2.636 9.391 1.00 0.00 C ATOM 741 CD GLU A 52 -0.826 -3.717 10.243 1.00 0.00 C ATOM 742 OE1 GLU A 52 -2.065 -3.883 10.163 1.00 0.00 O ATOM 743 OE2 GLU A 52 -0.136 -4.367 11.062 1.00 0.00 O ATOM 0 H GLU A 52 1.088 -2.637 6.822 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.886 -4.434 7.605 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.509 -1.428 7.639 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.956 -2.167 8.297 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.862 -2.945 9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.087 -1.717 9.973 1.00 0.00 H new ATOM 750 N SER A 53 -1.968 -2.383 5.229 1.00 0.00 N ATOM 751 CA SER A 53 -3.058 -2.159 4.298 1.00 0.00 C ATOM 752 C SER A 53 -2.924 -2.933 2.988 1.00 0.00 C ATOM 753 O SER A 53 -3.933 -3.441 2.497 1.00 0.00 O ATOM 754 CB SER A 53 -3.137 -0.664 4.023 1.00 0.00 C ATOM 755 OG SER A 53 -3.527 0.009 5.208 1.00 0.00 O ATOM 0 H SER A 53 -1.275 -1.635 5.232 1.00 0.00 H new ATOM 0 HA SER A 53 -3.973 -2.532 4.759 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.170 -0.294 3.682 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.854 -0.466 3.226 1.00 0.00 H new ATOM 0 HG SER A 53 -4.272 0.615 5.010 1.00 0.00 H new ATOM 761 N ILE A 54 -1.730 -2.988 2.384 1.00 0.00 N ATOM 762 CA ILE A 54 -1.562 -3.653 1.095 1.00 0.00 C ATOM 763 C ILE A 54 -1.419 -5.149 1.360 1.00 0.00 C ATOM 764 O ILE A 54 -2.184 -5.953 0.831 1.00 0.00 O ATOM 765 CB ILE A 54 -0.379 -3.075 0.269 1.00 0.00 C ATOM 766 CG1 ILE A 54 -0.306 -1.532 0.270 1.00 0.00 C ATOM 767 CG2 ILE A 54 -0.449 -3.578 -1.186 1.00 0.00 C ATOM 768 CD1 ILE A 54 -1.608 -0.803 -0.064 1.00 0.00 C ATOM 0 H ILE A 54 -0.876 -2.583 2.767 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.439 -3.472 0.473 1.00 0.00 H new ATOM 0 HB ILE A 54 0.526 -3.433 0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.030 -1.204 1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.455 -1.223 -0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.385 -3.166 -1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.393 -4.667 -1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.388 -3.258 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.440 0.274 -0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.941 -1.091 -1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.373 -1.071 0.665 1.00 0.00 H new ATOM 780 N LEU A 55 -0.421 -5.525 2.156 1.00 0.00 N ATOM 781 CA LEU A 55 0.055 -6.906 2.254 1.00 0.00 C ATOM 782 C LEU A 55 -0.651 -7.727 3.330 1.00 0.00 C ATOM 783 O LEU A 55 -0.484 -8.945 3.355 1.00 0.00 O ATOM 784 CB LEU A 55 1.578 -6.906 2.468 1.00 0.00 C ATOM 785 CG LEU A 55 2.347 -6.085 1.414 1.00 0.00 C ATOM 786 CD1 LEU A 55 3.850 -6.337 1.545 1.00 0.00 C ATOM 787 CD2 LEU A 55 1.932 -6.405 -0.024 1.00 0.00 C ATOM 0 H LEU A 55 0.086 -4.875 2.757 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.191 -7.397 1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.798 -6.508 3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.939 -7.934 2.451 1.00 0.00 H new ATOM 0 HG LEU A 55 2.102 -5.041 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.384 -5.752 0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.183 -6.042 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.056 -7.396 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.512 -5.793 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.118 -7.459 -0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.871 -6.192 -0.153 1.00 0.00 H new ATOM 799 N GLY A 56 -1.401 -7.088 4.223 1.00 0.00 N ATOM 800 CA GLY A 56 -1.931 -7.725 5.415 1.00 0.00 C ATOM 801 C GLY A 56 -0.837 -8.171 6.383 1.00 0.00 C ATOM 802 O GLY A 56 -1.115 -9.039 7.213 1.00 0.00 O ATOM 0 H GLY A 56 -1.658 -6.105 4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.601 -7.032 5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.528 -8.590 5.125 1.00 0.00 H new ATOM 806 N LEU A 57 0.392 -7.646 6.279 1.00 0.00 N ATOM 807 CA LEU A 57 1.522 -8.056 7.098 1.00 0.00 C ATOM 808 C LEU A 57 1.763 -7.019 8.179 1.00 0.00 C ATOM 809 O LEU A 57 1.739 -5.817 7.925 1.00 0.00 O ATOM 810 CB LEU A 57 2.784 -8.205 6.240 1.00 0.00 C ATOM 811 CG LEU A 57 2.737 -9.410 5.286 1.00 0.00 C ATOM 812 CD1 LEU A 57 3.931 -9.324 4.338 1.00 0.00 C ATOM 813 CD2 LEU A 57 2.755 -10.758 6.016 1.00 0.00 C ATOM 0 H LEU A 57 0.624 -6.912 5.609 1.00 0.00 H new ATOM 0 HA LEU A 57 1.294 -9.020 7.553 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.927 -7.295 5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.650 -8.303 6.895 1.00 0.00 H new ATOM 0 HG LEU A 57 1.794 -9.365 4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.914 -10.172 3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.877 -8.396 3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.856 -9.342 4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.720 -11.567 5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.668 -10.840 6.606 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.890 -10.826 6.675 1.00 0.00 H new ATOM 825 N THR A 58 2.065 -7.506 9.374 1.00 0.00 N ATOM 826 CA THR A 58 2.461 -6.676 10.503 1.00 0.00 C ATOM 827 C THR A 58 3.868 -6.104 10.276 1.00 0.00 C ATOM 828 O THR A 58 4.606 -6.530 9.380 1.00 0.00 O ATOM 829 CB THR A 58 2.382 -7.481 11.814 1.00 0.00 C ATOM 830 OG1 THR A 58 3.116 -8.688 11.744 1.00 0.00 O ATOM 831 CG2 THR A 58 0.947 -7.838 12.179 1.00 0.00 C ATOM 0 H THR A 58 2.042 -8.503 9.590 1.00 0.00 H new ATOM 0 HA THR A 58 1.770 -5.837 10.587 1.00 0.00 H new ATOM 0 HB THR A 58 2.811 -6.830 12.576 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.041 -9.166 12.596 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.939 -8.405 13.110 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.366 -6.925 12.305 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.508 -8.440 11.383 1.00 0.00 H new ATOM 839 N GLN A 59 4.264 -5.169 11.144 1.00 0.00 N ATOM 840 CA GLN A 59 5.502 -4.414 11.047 1.00 0.00 C ATOM 841 C GLN A 59 6.704 -5.331 10.833 1.00 0.00 C ATOM 842 O GLN A 59 7.404 -5.171 9.836 1.00 0.00 O ATOM 843 CB GLN A 59 5.644 -3.541 12.308 1.00 0.00 C ATOM 844 CG GLN A 59 6.641 -2.384 12.160 1.00 0.00 C ATOM 845 CD GLN A 59 8.069 -2.685 12.622 1.00 0.00 C ATOM 846 OE1 GLN A 59 8.628 -3.752 12.392 1.00 0.00 O ATOM 847 NE2 GLN A 59 8.703 -1.734 13.277 1.00 0.00 N ATOM 0 H GLN A 59 3.707 -4.913 11.959 1.00 0.00 H new ATOM 0 HA GLN A 59 5.470 -3.765 10.172 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.667 -3.133 12.567 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.957 -4.172 13.140 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.672 -2.085 11.112 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.267 -1.530 12.725 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.236 -0.847 13.467 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.661 -1.884 13.594 1.00 0.00 H new ATOM 856 N GLY A 60 6.918 -6.298 11.727 1.00 0.00 N ATOM 857 CA GLY A 60 8.101 -7.147 11.713 1.00 0.00 C ATOM 858 C GLY A 60 8.137 -8.039 10.485 1.00 0.00 C ATOM 859 O GLY A 60 9.189 -8.150 9.855 1.00 0.00 O ATOM 0 H GLY A 60 6.269 -6.512 12.484 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.996 -6.525 11.737 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.117 -7.764 12.612 1.00 0.00 H new ATOM 863 N SER A 61 6.996 -8.626 10.111 1.00 0.00 N ATOM 864 CA SER A 61 6.906 -9.436 8.913 1.00 0.00 C ATOM 865 C SER A 61 7.264 -8.608 7.682 1.00 0.00 C ATOM 866 O SER A 61 7.995 -9.097 6.826 1.00 0.00 O ATOM 867 CB SER A 61 5.502 -10.033 8.792 1.00 0.00 C ATOM 868 OG SER A 61 5.280 -10.940 9.855 1.00 0.00 O ATOM 0 H SER A 61 6.122 -8.549 10.631 1.00 0.00 H new ATOM 0 HA SER A 61 7.621 -10.256 8.981 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.755 -9.240 8.815 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.394 -10.544 7.835 1.00 0.00 H new ATOM 0 HG SER A 61 4.380 -11.321 9.778 1.00 0.00 H new ATOM 874 N VAL A 62 6.778 -7.370 7.574 1.00 0.00 N ATOM 875 CA VAL A 62 7.040 -6.560 6.393 1.00 0.00 C ATOM 876 C VAL A 62 8.456 -5.966 6.424 1.00 0.00 C ATOM 877 O VAL A 62 9.060 -5.775 5.364 1.00 0.00 O ATOM 878 CB VAL A 62 5.897 -5.539 6.201 1.00 0.00 C ATOM 879 CG1 VAL A 62 6.204 -4.112 6.654 1.00 0.00 C ATOM 880 CG2 VAL A 62 5.502 -5.540 4.723 1.00 0.00 C ATOM 0 H VAL A 62 6.207 -6.914 8.285 1.00 0.00 H new ATOM 0 HA VAL A 62 7.037 -7.182 5.498 1.00 0.00 H new ATOM 0 HB VAL A 62 5.084 -5.863 6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.335 -3.478 6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.440 -4.111 7.718 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.056 -3.727 6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.695 -4.825 4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.363 -5.258 4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.167 -6.537 4.437 1.00 0.00 H new ATOM 890 N SER A 63 9.029 -5.725 7.611 1.00 0.00 N ATOM 891 CA SER A 63 10.445 -5.422 7.767 1.00 0.00 C ATOM 892 C SER A 63 11.264 -6.552 7.182 1.00 0.00 C ATOM 893 O SER A 63 12.106 -6.323 6.316 1.00 0.00 O ATOM 894 CB SER A 63 10.822 -5.179 9.232 1.00 0.00 C ATOM 895 OG SER A 63 10.252 -3.980 9.713 1.00 0.00 O ATOM 0 H SER A 63 8.514 -5.737 8.491 1.00 0.00 H new ATOM 0 HA SER A 63 10.660 -4.498 7.230 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.482 -6.016 9.842 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.907 -5.134 9.329 1.00 0.00 H new ATOM 0 HG SER A 63 9.808 -4.150 10.570 1.00 0.00 H new ATOM 901 N ASP A 64 11.007 -7.773 7.637 1.00 0.00 N ATOM 902 CA ASP A 64 11.726 -8.942 7.182 1.00 0.00 C ATOM 903 C ASP A 64 11.498 -9.204 5.694 1.00 0.00 C ATOM 904 O ASP A 64 12.415 -9.659 5.012 1.00 0.00 O ATOM 905 CB ASP A 64 11.302 -10.136 8.023 1.00 0.00 C ATOM 906 CG ASP A 64 12.157 -11.336 7.660 1.00 0.00 C ATOM 907 OD1 ASP A 64 13.375 -11.304 7.939 1.00 0.00 O ATOM 908 OD2 ASP A 64 11.593 -12.322 7.137 1.00 0.00 O ATOM 0 H ASP A 64 10.290 -7.974 8.334 1.00 0.00 H new ATOM 0 HA ASP A 64 12.795 -8.771 7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.410 -9.905 9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.249 -10.360 7.852 1.00 0.00 H new ATOM 913 N LEU A 65 10.306 -8.902 5.163 1.00 0.00 N ATOM 914 CA LEU A 65 10.020 -9.044 3.746 1.00 0.00 C ATOM 915 C LEU A 65 10.891 -8.103 2.926 1.00 0.00 C ATOM 916 O LEU A 65 11.564 -8.553 2.005 1.00 0.00 O ATOM 917 CB LEU A 65 8.529 -8.807 3.446 1.00 0.00 C ATOM 918 CG LEU A 65 8.110 -9.647 2.234 1.00 0.00 C ATOM 919 CD1 LEU A 65 7.849 -11.087 2.685 1.00 0.00 C ATOM 920 CD2 LEU A 65 6.856 -9.091 1.562 1.00 0.00 C ATOM 0 H LEU A 65 9.519 -8.553 5.711 1.00 0.00 H new ATOM 0 HA LEU A 65 10.255 -10.069 3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.926 -9.075 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.351 -7.750 3.248 1.00 0.00 H new ATOM 0 HG LEU A 65 8.920 -9.615 1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.551 -11.689 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.758 -11.502 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.053 -11.097 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.594 -9.716 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.032 -9.087 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.046 -8.073 1.222 1.00 0.00 H new ATOM 932 N LEU A 66 10.871 -6.808 3.247 1.00 0.00 N ATOM 933 CA LEU A 66 11.593 -5.804 2.476 1.00 0.00 C ATOM 934 C LEU A 66 13.099 -5.961 2.629 1.00 0.00 C ATOM 935 O LEU A 66 13.840 -5.857 1.652 1.00 0.00 O ATOM 936 CB LEU A 66 11.169 -4.386 2.894 1.00 0.00 C ATOM 937 CG LEU A 66 9.794 -3.934 2.369 1.00 0.00 C ATOM 938 CD1 LEU A 66 9.461 -2.532 2.899 1.00 0.00 C ATOM 939 CD2 LEU A 66 9.764 -3.957 0.841 1.00 0.00 C ATOM 0 H LEU A 66 10.357 -6.431 4.043 1.00 0.00 H new ATOM 0 HA LEU A 66 11.339 -5.955 1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.161 -4.332 3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.923 -3.680 2.546 1.00 0.00 H new ATOM 0 HG LEU A 66 9.037 -4.631 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.486 -2.222 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.439 -2.551 3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.221 -1.826 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.783 -3.634 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.528 -3.284 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.959 -4.970 0.488 1.00 0.00 H new ATOM 951 N SER A 67 13.558 -6.164 3.857 1.00 0.00 N ATOM 952 CA SER A 67 14.975 -6.195 4.179 1.00 0.00 C ATOM 953 C SER A 67 15.652 -7.517 3.824 1.00 0.00 C ATOM 954 O SER A 67 16.865 -7.488 3.606 1.00 0.00 O ATOM 955 CB SER A 67 15.173 -5.885 5.661 1.00 0.00 C ATOM 956 OG SER A 67 14.685 -4.589 5.941 1.00 0.00 O ATOM 0 H SER A 67 12.951 -6.313 4.663 1.00 0.00 H new ATOM 0 HA SER A 67 15.453 -5.432 3.565 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.650 -6.622 6.271 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.230 -5.951 5.919 1.00 0.00 H new ATOM 0 HG SER A 67 13.734 -4.640 6.170 1.00 0.00 H new ATOM 962 N ARG A 68 14.948 -8.658 3.774 1.00 0.00 N ATOM 963 CA ARG A 68 15.501 -9.928 3.284 1.00 0.00 C ATOM 964 C ARG A 68 14.405 -10.713 2.557 1.00 0.00 C ATOM 965 O ARG A 68 13.954 -11.753 3.056 1.00 0.00 O ATOM 966 CB ARG A 68 16.160 -10.758 4.409 1.00 0.00 C ATOM 967 CG ARG A 68 17.442 -10.086 4.910 1.00 0.00 C ATOM 968 CD ARG A 68 18.328 -10.950 5.804 1.00 0.00 C ATOM 969 NE ARG A 68 19.485 -10.157 6.259 1.00 0.00 N ATOM 970 CZ ARG A 68 20.769 -10.351 5.928 1.00 0.00 C ATOM 971 NH1 ARG A 68 21.167 -11.502 5.402 1.00 0.00 N ATOM 972 NH2 ARG A 68 21.658 -9.382 6.122 1.00 0.00 N ATOM 0 H ARG A 68 13.975 -8.725 4.074 1.00 0.00 H new ATOM 0 HA ARG A 68 16.301 -9.705 2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 68 15.460 -10.876 5.236 1.00 0.00 H new ATOM 0 HB3 ARG A 68 16.390 -11.758 4.041 1.00 0.00 H new ATOM 0 HG2 ARG A 68 18.026 -9.768 4.047 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.169 -9.185 5.460 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.759 -11.308 6.662 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.668 -11.829 5.257 1.00 0.00 H new ATOM 0 HE ARG A 68 19.288 -9.381 6.891 1.00 0.00 H new ATOM 0 HH11 ARG A 68 20.493 -12.251 5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 68 22.147 -11.638 5.154 1.00 0.00 H new ATOM 0 HH21 ARG A 68 21.363 -8.492 6.523 1.00 0.00 H new ATOM 0 HH22 ARG A 68 22.636 -9.529 5.870 1.00 0.00 H new ATOM 986 N PRO A 69 14.021 -10.298 1.341 1.00 0.00 N ATOM 987 CA PRO A 69 13.108 -11.081 0.531 1.00 0.00 C ATOM 988 C PRO A 69 13.834 -12.360 0.106 1.00 0.00 C ATOM 989 O PRO A 69 15.046 -12.363 -0.142 1.00 0.00 O ATOM 990 CB PRO A 69 12.754 -10.190 -0.659 1.00 0.00 C ATOM 991 CG PRO A 69 14.021 -9.368 -0.850 1.00 0.00 C ATOM 992 CD PRO A 69 14.526 -9.166 0.578 1.00 0.00 C ATOM 0 HA PRO A 69 12.198 -11.381 1.050 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.514 -10.776 -1.546 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.890 -9.559 -0.450 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.752 -9.893 -1.465 1.00 0.00 H new ATOM 0 HG3 PRO A 69 13.814 -8.418 -1.342 1.00 0.00 H new ATOM 0 HD2 PRO A 69 15.615 -9.130 0.606 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.165 -8.224 0.991 1.00 0.00 H new ATOM 1000 N LYS A 70 13.106 -13.469 0.024 1.00 0.00 N ATOM 1001 CA LYS A 70 13.558 -14.644 -0.685 1.00 0.00 C ATOM 1002 C LYS A 70 13.224 -14.500 -2.176 1.00 0.00 C ATOM 1003 O LYS A 70 12.351 -13.705 -2.533 1.00 0.00 O ATOM 1004 CB LYS A 70 12.914 -15.870 -0.027 1.00 0.00 C ATOM 1005 CG LYS A 70 13.819 -16.379 1.108 1.00 0.00 C ATOM 1006 CD LYS A 70 14.066 -15.460 2.316 1.00 0.00 C ATOM 1007 CE LYS A 70 12.775 -15.144 3.067 1.00 0.00 C ATOM 1008 NZ LYS A 70 12.998 -14.191 4.169 1.00 0.00 N ATOM 0 H LYS A 70 12.185 -13.571 0.451 1.00 0.00 H new ATOM 0 HA LYS A 70 14.640 -14.766 -0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.931 -15.610 0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.764 -16.656 -0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.391 -17.310 1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.788 -16.625 0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.773 -15.936 2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.525 -14.531 1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.043 -14.731 2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.352 -16.066 3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.100 -14.016 4.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.690 -14.588 4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.362 -13.295 3.785 1.00 0.00 H new ATOM 1022 N PRO A 71 13.913 -15.249 -3.048 1.00 0.00 N ATOM 1023 CA PRO A 71 13.699 -15.198 -4.485 1.00 0.00 C ATOM 1024 C PRO A 71 12.329 -15.774 -4.843 1.00 0.00 C ATOM 1025 O PRO A 71 11.780 -16.606 -4.114 1.00 0.00 O ATOM 1026 CB PRO A 71 14.841 -16.022 -5.083 1.00 0.00 C ATOM 1027 CG PRO A 71 15.293 -16.948 -3.973 1.00 0.00 C ATOM 1028 CD PRO A 71 15.000 -16.149 -2.712 1.00 0.00 C ATOM 0 HA PRO A 71 13.702 -14.180 -4.874 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.505 -16.586 -5.953 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.657 -15.380 -5.415 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.747 -17.891 -3.988 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.352 -17.192 -4.058 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.720 -16.808 -1.890 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.880 -15.593 -2.390 1.00 0.00 H new ATOM 1036 N TRP A 72 11.817 -15.429 -6.022 1.00 0.00 N ATOM 1037 CA TRP A 72 10.566 -15.971 -6.538 1.00 0.00 C ATOM 1038 C TRP A 72 10.622 -17.500 -6.591 1.00 0.00 C ATOM 1039 O TRP A 72 9.651 -18.154 -6.214 1.00 0.00 O ATOM 1040 CB TRP A 72 10.284 -15.367 -7.914 1.00 0.00 C ATOM 1041 CG TRP A 72 8.949 -15.688 -8.512 1.00 0.00 C ATOM 1042 CD1 TRP A 72 8.692 -16.730 -9.333 1.00 0.00 C ATOM 1043 CD2 TRP A 72 7.694 -14.953 -8.400 1.00 0.00 C ATOM 1044 NE1 TRP A 72 7.380 -16.683 -9.752 1.00 0.00 N ATOM 1045 CE2 TRP A 72 6.713 -15.616 -9.197 1.00 0.00 C ATOM 1046 CE3 TRP A 72 7.283 -13.789 -7.717 1.00 0.00 C ATOM 1047 CZ2 TRP A 72 5.389 -15.167 -9.287 1.00 0.00 C ATOM 1048 CZ3 TRP A 72 5.957 -13.323 -7.806 1.00 0.00 C ATOM 1049 CH2 TRP A 72 5.014 -14.012 -8.589 1.00 0.00 C ATOM 0 H TRP A 72 12.263 -14.760 -6.650 1.00 0.00 H new ATOM 0 HA TRP A 72 9.748 -15.704 -5.869 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.375 -14.283 -7.838 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.059 -15.705 -8.602 1.00 0.00 H new ATOM 0 HD1 TRP A 72 9.408 -17.487 -9.618 1.00 0.00 H new ATOM 0 HE1 TRP A 72 6.957 -17.355 -10.393 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.997 -13.246 -7.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 4.668 -15.704 -9.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.663 -12.432 -7.270 1.00 0.00 H new ATOM 0 HH2 TRP A 72 3.998 -13.650 -8.652 1.00 0.00 H new ATOM 1060 N HIS A 73 11.768 -18.083 -6.968 1.00 0.00 N ATOM 1061 CA HIS A 73 11.922 -19.534 -7.025 1.00 0.00 C ATOM 1062 C HIS A 73 11.746 -20.196 -5.650 1.00 0.00 C ATOM 1063 O HIS A 73 11.265 -21.326 -5.568 1.00 0.00 O ATOM 1064 CB HIS A 73 13.261 -19.919 -7.681 1.00 0.00 C ATOM 1065 CG HIS A 73 14.481 -19.896 -6.781 1.00 0.00 C ATOM 1066 ND1 HIS A 73 15.551 -19.030 -6.848 1.00 0.00 N ATOM 1067 CD2 HIS A 73 14.772 -20.820 -5.814 1.00 0.00 C ATOM 1068 CE1 HIS A 73 16.453 -19.417 -5.931 1.00 0.00 C ATOM 1069 NE2 HIS A 73 16.012 -20.495 -5.255 1.00 0.00 N ATOM 0 H HIS A 73 12.604 -17.564 -7.238 1.00 0.00 H new ATOM 0 HA HIS A 73 11.119 -19.920 -7.653 1.00 0.00 H new ATOM 0 HB2 HIS A 73 13.162 -20.921 -8.098 1.00 0.00 H new ATOM 0 HB3 HIS A 73 13.440 -19.242 -8.517 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.150 -21.657 -5.531 1.00 0.00 H new ATOM 0 HE1 HIS A 73 17.402 -18.930 -5.759 1.00 0.00 H new ATOM 0 HE2 HIS A 73 16.486 -20.976 -4.491 1.00 0.00 H new ATOM 1077 N LYS A 74 12.143 -19.519 -4.565 1.00 0.00 N ATOM 1078 CA LYS A 74 11.987 -20.025 -3.201 1.00 0.00 C ATOM 1079 C LYS A 74 10.527 -19.959 -2.794 1.00 0.00 C ATOM 1080 O LYS A 74 10.031 -20.857 -2.113 1.00 0.00 O ATOM 1081 CB LYS A 74 12.816 -19.177 -2.221 1.00 0.00 C ATOM 1082 CG LYS A 74 14.271 -19.643 -2.124 1.00 0.00 C ATOM 1083 CD LYS A 74 14.433 -20.610 -0.953 1.00 0.00 C ATOM 1084 CE LYS A 74 15.886 -21.058 -0.798 1.00 0.00 C ATOM 1085 NZ LYS A 74 16.677 -20.135 0.043 1.00 0.00 N ATOM 0 H LYS A 74 12.583 -18.600 -4.612 1.00 0.00 H new ATOM 0 HA LYS A 74 12.335 -21.058 -3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.793 -18.135 -2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.358 -19.219 -1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.568 -20.130 -3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 74 14.928 -18.784 -1.991 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.098 -20.130 -0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.796 -21.481 -1.108 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.910 -22.055 -0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.347 -21.132 -1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.654 -20.483 0.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.679 -19.188 -0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.256 -20.083 0.992 1.00 0.00 H new ATOM 1099 N LEU A 75 9.858 -18.864 -3.119 1.00 0.00 N ATOM 1100 CA LEU A 75 8.528 -18.587 -2.616 1.00 0.00 C ATOM 1101 C LEU A 75 7.547 -19.446 -3.404 1.00 0.00 C ATOM 1102 O LEU A 75 7.622 -19.467 -4.628 1.00 0.00 O ATOM 1103 CB LEU A 75 8.237 -17.100 -2.842 1.00 0.00 C ATOM 1104 CG LEU A 75 9.129 -16.151 -2.022 1.00 0.00 C ATOM 1105 CD1 LEU A 75 8.941 -14.734 -2.553 1.00 0.00 C ATOM 1106 CD2 LEU A 75 8.830 -16.179 -0.522 1.00 0.00 C ATOM 0 H LEU A 75 10.225 -18.143 -3.740 1.00 0.00 H new ATOM 0 HA LEU A 75 8.440 -18.813 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.362 -16.874 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.194 -16.904 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 75 10.159 -16.489 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.566 -14.046 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.227 -14.698 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.895 -14.443 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.495 -15.487 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.795 -15.883 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.987 -17.187 -0.139 1.00 0.00 H new ATOM 1118 N SER A 76 6.609 -20.121 -2.742 1.00 0.00 N ATOM 1119 CA SER A 76 5.435 -20.669 -3.429 1.00 0.00 C ATOM 1120 C SER A 76 4.388 -19.559 -3.608 1.00 0.00 C ATOM 1121 O SER A 76 4.681 -18.402 -3.310 1.00 0.00 O ATOM 1122 CB SER A 76 4.923 -21.901 -2.682 1.00 0.00 C ATOM 1123 OG SER A 76 5.988 -22.811 -2.495 1.00 0.00 O ATOM 0 H SER A 76 6.636 -20.302 -1.739 1.00 0.00 H new ATOM 0 HA SER A 76 5.692 -21.015 -4.430 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.506 -21.609 -1.718 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.120 -22.375 -3.246 1.00 0.00 H new ATOM 0 HG SER A 76 5.663 -23.601 -2.015 1.00 0.00 H new ATOM 1129 N LEU A 77 3.174 -19.854 -4.083 1.00 0.00 N ATOM 1130 CA LEU A 77 2.166 -18.836 -4.416 1.00 0.00 C ATOM 1131 C LEU A 77 1.856 -17.952 -3.205 1.00 0.00 C ATOM 1132 O LEU A 77 1.930 -16.728 -3.290 1.00 0.00 O ATOM 1133 CB LEU A 77 0.889 -19.471 -4.975 1.00 0.00 C ATOM 1134 CG LEU A 77 1.135 -20.353 -6.213 1.00 0.00 C ATOM 1135 CD1 LEU A 77 -0.137 -21.133 -6.499 1.00 0.00 C ATOM 1136 CD2 LEU A 77 1.515 -19.548 -7.459 1.00 0.00 C ATOM 0 H LEU A 77 2.859 -20.810 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 77 2.586 -18.202 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.421 -20.073 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.184 -18.682 -5.235 1.00 0.00 H new ATOM 0 HG LEU A 77 1.976 -21.010 -5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.013 -21.766 -7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.384 -21.755 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.955 -20.438 -6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.675 -20.227 -8.296 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.711 -18.854 -7.703 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.430 -18.989 -7.266 1.00 0.00 H new ATOM 1148 N LYS A 78 1.613 -18.564 -2.042 1.00 0.00 N ATOM 1149 CA LYS A 78 1.478 -17.867 -0.763 1.00 0.00 C ATOM 1150 C LYS A 78 2.681 -16.984 -0.431 1.00 0.00 C ATOM 1151 O LYS A 78 2.559 -16.004 0.298 1.00 0.00 O ATOM 1152 CB LYS A 78 1.223 -18.817 0.406 1.00 0.00 C ATOM 1153 CG LYS A 78 2.067 -20.093 0.494 1.00 0.00 C ATOM 1154 CD LYS A 78 1.426 -21.221 -0.318 1.00 0.00 C ATOM 1155 CE LYS A 78 1.975 -22.631 -0.068 1.00 0.00 C ATOM 1156 NZ LYS A 78 1.915 -23.044 1.348 1.00 0.00 N ATOM 0 H LYS A 78 1.503 -19.575 -1.964 1.00 0.00 H new ATOM 0 HA LYS A 78 0.605 -17.228 -0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.368 -18.256 1.329 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.174 -19.112 0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.073 -19.896 0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.166 -20.399 1.536 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.356 -21.228 -0.110 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.543 -20.990 -1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.412 -23.344 -0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.010 -22.675 -0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.140 -24.057 1.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.604 -22.494 1.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.959 -22.873 1.719 1.00 0.00 H new ATOM 1170 N GLY A 79 3.869 -17.361 -0.890 1.00 0.00 N ATOM 1171 CA GLY A 79 5.095 -16.609 -0.716 1.00 0.00 C ATOM 1172 C GLY A 79 5.134 -15.384 -1.612 1.00 0.00 C ATOM 1173 O GLY A 79 5.656 -14.346 -1.216 1.00 0.00 O ATOM 0 H GLY A 79 4.004 -18.228 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.189 -16.301 0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.949 -17.249 -0.937 1.00 0.00 H new ATOM 1177 N ARG A 80 4.620 -15.513 -2.831 1.00 0.00 N ATOM 1178 CA ARG A 80 4.665 -14.514 -3.883 1.00 0.00 C ATOM 1179 C ARG A 80 3.530 -13.509 -3.747 1.00 0.00 C ATOM 1180 O ARG A 80 3.704 -12.375 -4.174 1.00 0.00 O ATOM 1181 CB ARG A 80 4.535 -15.270 -5.199 1.00 0.00 C ATOM 1182 CG ARG A 80 5.718 -16.211 -5.438 1.00 0.00 C ATOM 1183 CD ARG A 80 5.332 -17.250 -6.494 1.00 0.00 C ATOM 1184 NE ARG A 80 6.450 -18.159 -6.730 1.00 0.00 N ATOM 1185 CZ ARG A 80 6.635 -19.061 -7.694 1.00 0.00 C ATOM 1186 NH1 ARG A 80 5.757 -19.283 -8.668 1.00 0.00 N ATOM 1187 NH2 ARG A 80 7.760 -19.752 -7.647 1.00 0.00 N ATOM 0 H ARG A 80 4.137 -16.363 -3.123 1.00 0.00 H new ATOM 0 HA ARG A 80 5.595 -13.948 -3.829 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.609 -15.845 -5.197 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.466 -14.558 -6.021 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.588 -15.644 -5.770 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.997 -16.707 -4.508 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.459 -17.812 -6.162 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.055 -16.751 -7.423 1.00 0.00 H new ATOM 0 HE ARG A 80 7.208 -18.094 -6.051 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.888 -18.749 -8.703 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.952 -19.987 -9.380 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.432 -19.581 -6.899 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.956 -20.456 -8.358 1.00 0.00 H new ATOM 1201 N GLU A 81 2.427 -13.902 -3.109 1.00 0.00 N ATOM 1202 CA GLU A 81 1.242 -13.109 -2.795 1.00 0.00 C ATOM 1203 C GLU A 81 1.588 -11.651 -2.481 1.00 0.00 C ATOM 1204 O GLU A 81 1.146 -10.769 -3.220 1.00 0.00 O ATOM 1205 CB GLU A 81 0.470 -13.794 -1.643 1.00 0.00 C ATOM 1206 CG GLU A 81 -0.948 -14.206 -2.017 1.00 0.00 C ATOM 1207 CD GLU A 81 -1.507 -15.309 -1.113 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -1.138 -15.390 0.081 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -2.314 -16.122 -1.604 1.00 0.00 O ATOM 0 H GLU A 81 2.334 -14.860 -2.772 1.00 0.00 H new ATOM 0 HA GLU A 81 0.598 -13.069 -3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.023 -14.677 -1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.429 -13.116 -0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.600 -13.334 -1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.960 -14.550 -3.051 1.00 0.00 H new ATOM 1216 N PRO A 82 2.400 -11.365 -1.449 1.00 0.00 N ATOM 1217 CA PRO A 82 2.686 -9.989 -1.103 1.00 0.00 C ATOM 1218 C PRO A 82 3.468 -9.284 -2.216 1.00 0.00 C ATOM 1219 O PRO A 82 3.128 -8.160 -2.554 1.00 0.00 O ATOM 1220 CB PRO A 82 3.429 -10.029 0.234 1.00 0.00 C ATOM 1221 CG PRO A 82 4.017 -11.438 0.304 1.00 0.00 C ATOM 1222 CD PRO A 82 3.034 -12.277 -0.507 1.00 0.00 C ATOM 0 HA PRO A 82 1.775 -9.400 -0.998 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.211 -9.270 0.276 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.754 -9.839 1.069 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.021 -11.475 -0.120 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.092 -11.791 1.333 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.550 -13.082 -1.031 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.293 -12.743 0.142 1.00 0.00 H new ATOM 1230 N PHE A 83 4.471 -9.920 -2.824 1.00 0.00 N ATOM 1231 CA PHE A 83 5.288 -9.305 -3.869 1.00 0.00 C ATOM 1232 C PHE A 83 4.472 -8.966 -5.118 1.00 0.00 C ATOM 1233 O PHE A 83 4.765 -7.960 -5.760 1.00 0.00 O ATOM 1234 CB PHE A 83 6.469 -10.208 -4.233 1.00 0.00 C ATOM 1235 CG PHE A 83 7.386 -10.504 -3.070 1.00 0.00 C ATOM 1236 CD1 PHE A 83 7.115 -11.585 -2.214 1.00 0.00 C ATOM 1237 CD2 PHE A 83 8.491 -9.673 -2.821 1.00 0.00 C ATOM 1238 CE1 PHE A 83 7.935 -11.830 -1.100 1.00 0.00 C ATOM 1239 CE2 PHE A 83 9.305 -9.919 -1.707 1.00 0.00 C ATOM 1240 CZ PHE A 83 9.033 -10.993 -0.844 1.00 0.00 C ATOM 0 H PHE A 83 4.740 -10.879 -2.604 1.00 0.00 H new ATOM 0 HA PHE A 83 5.669 -8.367 -3.465 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.087 -11.148 -4.632 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.046 -9.735 -5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.272 -12.230 -2.413 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.712 -8.850 -3.484 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.722 -12.660 -0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.150 -9.276 -1.510 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.665 -11.174 0.013 1.00 0.00 H new ATOM 1250 N VAL A 84 3.447 -9.752 -5.449 1.00 0.00 N ATOM 1251 CA VAL A 84 2.517 -9.410 -6.517 1.00 0.00 C ATOM 1252 C VAL A 84 1.740 -8.156 -6.114 1.00 0.00 C ATOM 1253 O VAL A 84 1.707 -7.199 -6.884 1.00 0.00 O ATOM 1254 CB VAL A 84 1.630 -10.625 -6.851 1.00 0.00 C ATOM 1255 CG1 VAL A 84 0.495 -10.307 -7.833 1.00 0.00 C ATOM 1256 CG2 VAL A 84 2.519 -11.713 -7.472 1.00 0.00 C ATOM 0 H VAL A 84 3.242 -10.637 -4.986 1.00 0.00 H new ATOM 0 HA VAL A 84 3.044 -9.169 -7.440 1.00 0.00 H new ATOM 0 HB VAL A 84 1.164 -10.948 -5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.087 -11.209 -8.021 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.152 -9.541 -7.406 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.916 -9.945 -8.771 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.911 -12.584 -7.717 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.984 -11.329 -8.380 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.294 -12.000 -6.761 1.00 0.00 H new ATOM 1266 N ARG A 85 1.179 -8.099 -4.899 1.00 0.00 N ATOM 1267 CA ARG A 85 0.486 -6.901 -4.442 1.00 0.00 C ATOM 1268 C ARG A 85 1.426 -5.694 -4.449 1.00 0.00 C ATOM 1269 O ARG A 85 1.009 -4.615 -4.840 1.00 0.00 O ATOM 1270 CB ARG A 85 -0.110 -7.117 -3.050 1.00 0.00 C ATOM 1271 CG ARG A 85 -1.205 -8.193 -2.948 1.00 0.00 C ATOM 1272 CD ARG A 85 -1.611 -8.286 -1.474 1.00 0.00 C ATOM 1273 NE ARG A 85 -2.686 -9.245 -1.194 1.00 0.00 N ATOM 1274 CZ ARG A 85 -4.006 -9.025 -1.219 1.00 0.00 C ATOM 1275 NH1 ARG A 85 -4.532 -7.947 -1.798 1.00 0.00 N ATOM 1276 NH2 ARG A 85 -4.783 -9.934 -0.646 1.00 0.00 N ATOM 0 H ARG A 85 1.194 -8.864 -4.225 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.332 -6.698 -5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.697 -7.382 -2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.524 -6.171 -2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.062 -7.930 -3.568 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.835 -9.154 -3.307 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.735 -8.561 -0.886 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.925 -7.299 -1.135 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.392 -10.191 -0.952 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.924 -7.258 -2.241 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.543 -7.811 -1.799 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.368 -10.758 -0.211 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.795 -9.809 -0.640 1.00 0.00 H new ATOM 1290 N MET A 86 2.702 -5.839 -4.076 1.00 0.00 N ATOM 1291 CA MET A 86 3.694 -4.785 -4.172 1.00 0.00 C ATOM 1292 C MET A 86 3.865 -4.327 -5.615 1.00 0.00 C ATOM 1293 O MET A 86 3.813 -3.130 -5.872 1.00 0.00 O ATOM 1294 CB MET A 86 5.035 -5.272 -3.620 1.00 0.00 C ATOM 1295 CG MET A 86 4.985 -5.578 -2.122 1.00 0.00 C ATOM 1296 SD MET A 86 6.530 -5.273 -1.234 1.00 0.00 S ATOM 1297 CE MET A 86 7.219 -6.895 -1.518 1.00 0.00 C ATOM 0 H MET A 86 3.071 -6.710 -3.694 1.00 0.00 H new ATOM 0 HA MET A 86 3.347 -3.938 -3.580 1.00 0.00 H new ATOM 0 HB2 MET A 86 5.340 -6.169 -4.159 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.796 -4.514 -3.806 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.197 -4.977 -1.669 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.705 -6.623 -1.988 1.00 0.00 H new ATOM 0 HE1 MET A 86 8.004 -7.090 -0.787 1.00 0.00 H new ATOM 0 HE2 MET A 86 6.435 -7.646 -1.418 1.00 0.00 H new ATOM 0 HE3 MET A 86 7.640 -6.941 -2.523 1.00 0.00 H new ATOM 1307 N GLN A 87 4.077 -5.258 -6.550 1.00 0.00 N ATOM 1308 CA GLN A 87 4.209 -4.945 -7.967 1.00 0.00 C ATOM 1309 C GLN A 87 2.991 -4.138 -8.455 1.00 0.00 C ATOM 1310 O GLN A 87 3.155 -3.172 -9.199 1.00 0.00 O ATOM 1311 CB GLN A 87 4.407 -6.236 -8.776 1.00 0.00 C ATOM 1312 CG GLN A 87 4.656 -5.965 -10.270 1.00 0.00 C ATOM 1313 CD GLN A 87 6.062 -5.436 -10.544 1.00 0.00 C ATOM 1314 OE1 GLN A 87 6.398 -4.283 -10.274 1.00 0.00 O ATOM 1315 NE2 GLN A 87 6.918 -6.283 -11.083 1.00 0.00 N ATOM 0 H GLN A 87 4.161 -6.252 -6.339 1.00 0.00 H new ATOM 0 HA GLN A 87 5.091 -4.322 -8.118 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.250 -6.792 -8.366 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.525 -6.868 -8.667 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.502 -6.885 -10.833 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.923 -5.244 -10.632 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.625 -7.235 -11.301 1.00 0.00 H new ATOM 0 HE22 GLN A 87 7.873 -5.986 -11.282 1.00 0.00 H new ATOM 1324 N LEU A 88 1.772 -4.518 -8.064 1.00 0.00 N ATOM 1325 CA LEU A 88 0.560 -3.833 -8.501 1.00 0.00 C ATOM 1326 C LEU A 88 0.328 -2.522 -7.759 1.00 0.00 C ATOM 1327 O LEU A 88 -0.147 -1.569 -8.374 1.00 0.00 O ATOM 1328 CB LEU A 88 -0.676 -4.739 -8.369 1.00 0.00 C ATOM 1329 CG LEU A 88 -0.947 -5.680 -9.558 1.00 0.00 C ATOM 1330 CD1 LEU A 88 -0.875 -4.953 -10.908 1.00 0.00 C ATOM 1331 CD2 LEU A 88 -0.008 -6.887 -9.577 1.00 0.00 C ATOM 0 H LEU A 88 1.601 -5.306 -7.439 1.00 0.00 H new ATOM 0 HA LEU A 88 0.711 -3.594 -9.554 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.565 -5.344 -7.469 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.552 -4.107 -8.223 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.966 -6.039 -9.412 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.073 -5.660 -11.713 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.619 -4.157 -10.933 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.119 -4.525 -11.038 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.243 -7.517 -10.435 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.024 -6.544 -9.650 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.135 -7.462 -8.660 1.00 0.00 H new ATOM 1343 N TRP A 89 0.695 -2.406 -6.484 1.00 0.00 N ATOM 1344 CA TRP A 89 0.639 -1.135 -5.775 1.00 0.00 C ATOM 1345 C TRP A 89 1.661 -0.174 -6.382 1.00 0.00 C ATOM 1346 O TRP A 89 1.473 1.032 -6.351 1.00 0.00 O ATOM 1347 CB TRP A 89 0.869 -1.363 -4.277 1.00 0.00 C ATOM 1348 CG TRP A 89 0.752 -0.136 -3.428 1.00 0.00 C ATOM 1349 CD1 TRP A 89 -0.382 0.329 -2.863 1.00 0.00 C ATOM 1350 CD2 TRP A 89 1.794 0.810 -3.053 1.00 0.00 C ATOM 1351 NE1 TRP A 89 -0.117 1.490 -2.164 1.00 0.00 N ATOM 1352 CE2 TRP A 89 1.226 1.815 -2.212 1.00 0.00 C ATOM 1353 CE3 TRP A 89 3.171 0.900 -3.340 1.00 0.00 C ATOM 1354 CZ2 TRP A 89 2.000 2.850 -1.661 1.00 0.00 C ATOM 1355 CZ3 TRP A 89 3.966 1.903 -2.759 1.00 0.00 C ATOM 1356 CH2 TRP A 89 3.386 2.873 -1.919 1.00 0.00 C ATOM 0 H TRP A 89 1.036 -3.184 -5.920 1.00 0.00 H new ATOM 0 HA TRP A 89 -0.347 -0.683 -5.883 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.151 -2.102 -3.922 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.862 -1.790 -4.138 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.353 -0.138 -2.945 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.823 2.039 -1.674 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.622 0.188 -4.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 1.542 3.614 -1.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.027 1.930 -2.958 1.00 0.00 H new ATOM 0 HH2 TRP A 89 4.005 3.637 -1.471 1.00 0.00 H new ATOM 1367 N LEU A 90 2.734 -0.690 -6.979 1.00 0.00 N ATOM 1368 CA LEU A 90 3.693 0.099 -7.731 1.00 0.00 C ATOM 1369 C LEU A 90 3.200 0.453 -9.145 1.00 0.00 C ATOM 1370 O LEU A 90 3.855 1.232 -9.831 1.00 0.00 O ATOM 1371 CB LEU A 90 5.003 -0.683 -7.826 1.00 0.00 C ATOM 1372 CG LEU A 90 5.850 -0.646 -6.543 1.00 0.00 C ATOM 1373 CD1 LEU A 90 7.038 -1.587 -6.762 1.00 0.00 C ATOM 1374 CD2 LEU A 90 6.318 0.774 -6.195 1.00 0.00 C ATOM 0 H LEU A 90 2.960 -1.684 -6.950 1.00 0.00 H new ATOM 0 HA LEU A 90 3.835 1.041 -7.202 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.777 -1.721 -8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.594 -0.283 -8.650 1.00 0.00 H new ATOM 0 HG LEU A 90 5.250 -0.970 -5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.668 -1.591 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.673 -2.596 -6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.621 -1.245 -7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.912 0.748 -5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.924 1.168 -7.011 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.450 1.417 -6.045 1.00 0.00 H new ATOM 1386 N ASN A 91 2.108 -0.138 -9.630 1.00 0.00 N ATOM 1387 CA ASN A 91 1.472 0.217 -10.910 1.00 0.00 C ATOM 1388 C ASN A 91 0.362 1.247 -10.704 1.00 0.00 C ATOM 1389 O ASN A 91 0.209 2.165 -11.511 1.00 0.00 O ATOM 1390 CB ASN A 91 0.846 -1.010 -11.605 1.00 0.00 C ATOM 1391 CG ASN A 91 1.814 -1.767 -12.496 1.00 0.00 C ATOM 1392 OD1 ASN A 91 1.769 -1.640 -13.715 1.00 0.00 O ATOM 1393 ND2 ASN A 91 2.682 -2.586 -11.927 1.00 0.00 N ATOM 0 H ASN A 91 1.627 -0.892 -9.139 1.00 0.00 H new ATOM 0 HA ASN A 91 2.264 0.627 -11.536 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.459 -1.689 -10.845 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.005 -0.683 -12.203 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.328 -3.125 -12.503 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.705 -2.679 -10.912 1.00 0.00 H new ATOM 1400 N ASP A 92 -0.465 1.044 -9.677 1.00 0.00 N ATOM 1401 CA ASP A 92 -1.657 1.835 -9.376 1.00 0.00 C ATOM 1402 C ASP A 92 -1.273 3.318 -9.237 1.00 0.00 C ATOM 1403 O ASP A 92 -0.469 3.635 -8.369 1.00 0.00 O ATOM 1404 CB ASP A 92 -2.317 1.303 -8.087 1.00 0.00 C ATOM 1405 CG ASP A 92 -3.523 0.397 -8.357 1.00 0.00 C ATOM 1406 OD1 ASP A 92 -3.445 -0.573 -9.148 1.00 0.00 O ATOM 1407 OD2 ASP A 92 -4.602 0.653 -7.767 1.00 0.00 O ATOM 0 H ASP A 92 -0.315 0.292 -9.005 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.377 1.747 -10.190 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.577 0.749 -7.509 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.634 2.147 -7.474 1.00 0.00 H new ATOM 1412 N PRO A 93 -1.800 4.248 -10.054 1.00 0.00 N ATOM 1413 CA PRO A 93 -1.287 5.617 -10.141 1.00 0.00 C ATOM 1414 C PRO A 93 -1.649 6.491 -8.932 1.00 0.00 C ATOM 1415 O PRO A 93 -1.071 7.564 -8.755 1.00 0.00 O ATOM 1416 CB PRO A 93 -1.903 6.181 -11.427 1.00 0.00 C ATOM 1417 CG PRO A 93 -3.228 5.429 -11.526 1.00 0.00 C ATOM 1418 CD PRO A 93 -2.861 4.044 -11.022 1.00 0.00 C ATOM 0 HA PRO A 93 -0.197 5.614 -10.150 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.053 7.259 -11.364 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.268 5.998 -12.294 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.003 5.891 -10.914 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.603 5.402 -12.549 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.720 3.553 -10.564 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.528 3.405 -11.840 1.00 0.00 H new ATOM 1426 N HIS A 94 -2.627 6.081 -8.119 1.00 0.00 N ATOM 1427 CA HIS A 94 -3.040 6.779 -6.897 1.00 0.00 C ATOM 1428 C HIS A 94 -2.790 5.905 -5.663 1.00 0.00 C ATOM 1429 O HIS A 94 -3.389 6.106 -4.609 1.00 0.00 O ATOM 1430 CB HIS A 94 -4.479 7.296 -7.034 1.00 0.00 C ATOM 1431 CG HIS A 94 -4.541 8.531 -7.906 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -4.794 9.815 -7.466 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -4.184 8.612 -9.226 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -4.579 10.651 -8.496 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -4.182 9.964 -9.579 1.00 0.00 N ATOM 0 H HIS A 94 -3.167 5.234 -8.296 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.424 7.666 -6.750 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -5.109 6.515 -7.461 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -4.880 7.525 -6.047 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -3.947 7.782 -9.875 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.707 11.723 -8.458 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -3.928 10.354 -10.486 1.00 0.00 H new ATOM 1443 N ASN A 95 -1.878 4.948 -5.795 1.00 0.00 N ATOM 1444 CA ASN A 95 -1.277 4.147 -4.737 1.00 0.00 C ATOM 1445 C ASN A 95 -0.859 4.975 -3.517 1.00 0.00 C ATOM 1446 O ASN A 95 -1.321 4.693 -2.412 1.00 0.00 O ATOM 1447 CB ASN A 95 -0.088 3.363 -5.317 1.00 0.00 C ATOM 1448 CG ASN A 95 1.063 4.224 -5.861 1.00 0.00 C ATOM 1449 OD1 ASN A 95 0.883 5.391 -6.197 1.00 0.00 O ATOM 1450 ND2 ASN A 95 2.272 3.700 -5.871 1.00 0.00 N ATOM 0 H ASN A 95 -1.513 4.694 -6.713 1.00 0.00 H new ATOM 0 HA ASN A 95 -2.034 3.454 -4.370 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.306 2.707 -4.541 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.453 2.723 -6.121 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.070 4.265 -6.160 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.409 2.729 -5.590 1.00 0.00 H new ATOM 1457 N VAL A 96 -0.002 5.987 -3.667 1.00 0.00 N ATOM 1458 CA VAL A 96 0.531 6.765 -2.572 1.00 0.00 C ATOM 1459 C VAL A 96 -0.569 7.630 -1.966 1.00 0.00 C ATOM 1460 O VAL A 96 -0.624 7.779 -0.748 1.00 0.00 O ATOM 1461 CB VAL A 96 1.704 7.618 -3.090 1.00 0.00 C ATOM 1462 CG1 VAL A 96 2.259 8.422 -1.924 1.00 0.00 C ATOM 1463 CG2 VAL A 96 2.843 6.770 -3.669 1.00 0.00 C ATOM 0 H VAL A 96 0.342 6.287 -4.579 1.00 0.00 H new ATOM 0 HA VAL A 96 0.902 6.107 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 96 1.323 8.255 -3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.092 9.035 -2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.477 9.066 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.606 7.742 -1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.642 7.424 -4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.230 6.105 -2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.468 6.178 -4.504 1.00 0.00 H new ATOM 1473 N GLU A 97 -1.433 8.207 -2.804 1.00 0.00 N ATOM 1474 CA GLU A 97 -2.565 9.012 -2.357 1.00 0.00 C ATOM 1475 C GLU A 97 -3.421 8.188 -1.393 1.00 0.00 C ATOM 1476 O GLU A 97 -3.678 8.614 -0.265 1.00 0.00 O ATOM 1477 CB GLU A 97 -3.403 9.485 -3.558 1.00 0.00 C ATOM 1478 CG GLU A 97 -2.703 10.448 -4.533 1.00 0.00 C ATOM 1479 CD GLU A 97 -2.587 11.885 -4.020 1.00 0.00 C ATOM 1480 OE1 GLU A 97 -2.416 12.083 -2.797 1.00 0.00 O ATOM 1481 OE2 GLU A 97 -2.481 12.824 -4.844 1.00 0.00 O ATOM 0 H GLU A 97 -1.364 8.126 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.194 9.897 -1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.728 8.607 -4.117 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.301 9.973 -3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.704 10.068 -4.746 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.250 10.454 -5.476 1.00 0.00 H new ATOM 1488 N LYS A 98 -3.814 6.988 -1.822 1.00 0.00 N ATOM 1489 CA LYS A 98 -4.673 6.094 -1.060 1.00 0.00 C ATOM 1490 C LYS A 98 -3.941 5.539 0.157 1.00 0.00 C ATOM 1491 O LYS A 98 -4.515 5.506 1.239 1.00 0.00 O ATOM 1492 CB LYS A 98 -5.244 5.023 -1.991 1.00 0.00 C ATOM 1493 CG LYS A 98 -6.271 5.762 -2.863 1.00 0.00 C ATOM 1494 CD LYS A 98 -7.068 4.916 -3.832 1.00 0.00 C ATOM 1495 CE LYS A 98 -6.252 4.422 -5.030 1.00 0.00 C ATOM 1496 NZ LYS A 98 -7.125 3.951 -6.126 1.00 0.00 N ATOM 0 H LYS A 98 -3.536 6.607 -2.727 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.523 6.642 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.461 4.571 -2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.713 4.218 -1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.971 6.276 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.746 6.529 -3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.475 4.056 -3.301 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.916 5.496 -4.195 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.614 5.227 -5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.595 3.612 -4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.539 3.624 -6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.716 3.166 -5.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.735 4.731 -6.444 1.00 0.00 H new ATOM 1510 N LEU A 99 -2.654 5.193 0.051 1.00 0.00 N ATOM 1511 CA LEU A 99 -1.885 4.762 1.216 1.00 0.00 C ATOM 1512 C LEU A 99 -1.781 5.878 2.258 1.00 0.00 C ATOM 1513 O LEU A 99 -1.918 5.615 3.451 1.00 0.00 O ATOM 1514 CB LEU A 99 -0.491 4.258 0.813 1.00 0.00 C ATOM 1515 CG LEU A 99 0.323 3.765 2.030 1.00 0.00 C ATOM 1516 CD1 LEU A 99 -0.331 2.572 2.717 1.00 0.00 C ATOM 1517 CD2 LEU A 99 1.722 3.317 1.626 1.00 0.00 C ATOM 0 H LEU A 99 -2.129 5.204 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.422 3.929 1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.594 3.446 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.054 5.060 0.314 1.00 0.00 H new ATOM 0 HG LEU A 99 0.365 4.618 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.278 2.262 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.324 2.853 3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.415 1.746 2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.264 2.977 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.649 2.500 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.255 4.153 1.172 1.00 0.00 H new ATOM 1529 N ARG A 100 -1.541 7.128 1.854 1.00 0.00 N ATOM 1530 CA ARG A 100 -1.543 8.235 2.810 1.00 0.00 C ATOM 1531 C ARG A 100 -2.920 8.365 3.452 1.00 0.00 C ATOM 1532 O ARG A 100 -3.012 8.628 4.656 1.00 0.00 O ATOM 1533 CB ARG A 100 -1.126 9.549 2.128 1.00 0.00 C ATOM 1534 CG ARG A 100 0.393 9.611 1.928 1.00 0.00 C ATOM 1535 CD ARG A 100 0.803 10.846 1.127 1.00 0.00 C ATOM 1536 NE ARG A 100 2.215 11.204 1.359 1.00 0.00 N ATOM 1537 CZ ARG A 100 2.708 12.441 1.524 1.00 0.00 C ATOM 1538 NH1 ARG A 100 1.907 13.503 1.601 1.00 0.00 N ATOM 1539 NH2 ARG A 100 4.021 12.590 1.622 1.00 0.00 N ATOM 0 H ARG A 100 -1.346 7.395 0.889 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.814 8.024 3.592 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.626 9.636 1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.451 10.395 2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.888 9.625 2.899 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.730 8.712 1.411 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.645 10.660 0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.165 11.686 1.402 1.00 0.00 H new ATOM 0 HE ARG A 100 2.883 10.434 1.398 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.896 13.385 1.534 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.305 14.434 1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.632 11.775 1.572 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.421 13.520 1.748 1.00 0.00 H new ATOM 1553 N ASP A 101 -3.975 8.157 2.672 1.00 0.00 N ATOM 1554 CA ASP A 101 -5.351 8.211 3.140 1.00 0.00 C ATOM 1555 C ASP A 101 -5.735 7.027 4.032 1.00 0.00 C ATOM 1556 O ASP A 101 -6.725 7.116 4.751 1.00 0.00 O ATOM 1557 CB ASP A 101 -6.295 8.286 1.940 1.00 0.00 C ATOM 1558 CG ASP A 101 -7.677 8.704 2.411 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -7.820 9.911 2.717 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -8.588 7.847 2.509 1.00 0.00 O ATOM 0 H ASP A 101 -3.894 7.942 1.678 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.442 9.106 3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.916 9.001 1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.346 7.318 1.442 1.00 0.00 H new ATOM 1565 N MET A 102 -4.964 5.932 4.034 1.00 0.00 N ATOM 1566 CA MET A 102 -5.114 4.861 5.020 1.00 0.00 C ATOM 1567 C MET A 102 -4.776 5.402 6.403 1.00 0.00 C ATOM 1568 O MET A 102 -5.513 5.183 7.355 1.00 0.00 O ATOM 1569 CB MET A 102 -4.216 3.656 4.724 1.00 0.00 C ATOM 1570 CG MET A 102 -4.621 2.878 3.479 1.00 0.00 C ATOM 1571 SD MET A 102 -5.878 1.626 3.811 1.00 0.00 S ATOM 1572 CE MET A 102 -5.914 0.916 2.154 1.00 0.00 C ATOM 0 H MET A 102 -4.222 5.766 3.354 1.00 0.00 H new ATOM 0 HA MET A 102 -6.148 4.520 4.973 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.188 4.001 4.607 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.231 2.984 5.582 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.997 3.573 2.729 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.740 2.397 3.055 1.00 0.00 H new ATOM 0 HE1 MET A 102 -6.228 -0.126 2.212 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.617 1.473 1.535 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.919 0.972 1.713 1.00 0.00 H new ATOM 1582 N LYS A 103 -3.634 6.092 6.522 1.00 0.00 N ATOM 1583 CA LYS A 103 -3.105 6.611 7.786 1.00 0.00 C ATOM 1584 C LYS A 103 -4.095 7.577 8.432 1.00 0.00 C ATOM 1585 O LYS A 103 -4.287 7.582 9.650 1.00 0.00 O ATOM 1586 CB LYS A 103 -1.763 7.320 7.520 1.00 0.00 C ATOM 1587 CG LYS A 103 -0.631 6.804 8.416 1.00 0.00 C ATOM 1588 CD LYS A 103 0.725 7.368 7.961 1.00 0.00 C ATOM 1589 CE LYS A 103 0.875 8.842 8.350 1.00 0.00 C ATOM 1590 NZ LYS A 103 1.438 9.673 7.268 1.00 0.00 N ATOM 0 H LYS A 103 -3.040 6.309 5.722 1.00 0.00 H new ATOM 0 HA LYS A 103 -2.949 5.780 8.474 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.485 7.182 6.475 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.886 8.391 7.678 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.821 7.090 9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.605 5.715 8.386 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.531 6.788 8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.820 7.264 6.880 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.100 9.238 8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.517 8.916 9.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.515 10.658 7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.381 9.318 7.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 0.815 9.629 6.437 1.00 0.00 H new ATOM 1604 N LYS A 104 -4.695 8.440 7.615 1.00 0.00 N ATOM 1605 CA LYS A 104 -5.775 9.286 8.053 1.00 0.00 C ATOM 1606 C LYS A 104 -6.917 8.372 8.481 1.00 0.00 C ATOM 1607 O LYS A 104 -7.391 7.568 7.682 1.00 0.00 O ATOM 1608 CB LYS A 104 -6.152 10.215 6.896 1.00 0.00 C ATOM 1609 CG LYS A 104 -6.913 11.416 7.449 1.00 0.00 C ATOM 1610 CD LYS A 104 -7.081 12.520 6.403 1.00 0.00 C ATOM 1611 CE LYS A 104 -7.993 12.061 5.266 1.00 0.00 C ATOM 1612 NZ LYS A 104 -8.026 13.021 4.147 1.00 0.00 N ATOM 0 H LYS A 104 -4.439 8.564 6.636 1.00 0.00 H new ATOM 0 HA LYS A 104 -5.508 9.917 8.900 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -5.255 10.546 6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -6.766 9.682 6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.895 11.094 7.797 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -6.383 11.814 8.314 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -7.499 13.411 6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -6.106 12.798 6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -7.653 11.092 4.900 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.004 11.920 5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -8.658 12.664 3.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -8.376 13.939 4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.067 13.138 3.761 1.00 0.00 H new ATOM 1626 N LEU A 105 -7.369 8.511 9.727 1.00 0.00 N ATOM 1627 CA LEU A 105 -8.463 7.737 10.306 1.00 0.00 C ATOM 1628 C LEU A 105 -8.112 6.252 10.491 1.00 0.00 C ATOM 1629 O LEU A 105 -9.024 5.441 10.671 1.00 0.00 O ATOM 1630 CB LEU A 105 -9.789 8.011 9.540 1.00 0.00 C ATOM 1631 CG LEU A 105 -10.756 8.938 10.307 1.00 0.00 C ATOM 1632 CD1 LEU A 105 -11.328 10.021 9.384 1.00 0.00 C ATOM 1633 CD2 LEU A 105 -11.865 8.119 10.968 1.00 0.00 C ATOM 0 H LEU A 105 -6.971 9.186 10.380 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.629 8.082 11.327 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.557 8.459 8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -10.288 7.063 9.340 1.00 0.00 H new ATOM 0 HG LEU A 105 -10.199 9.446 11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -12.006 10.660 9.950 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.514 10.623 8.981 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -11.872 9.551 8.565 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.539 8.786 11.505 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.423 7.578 10.204 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -11.425 7.408 11.667 1.00 0.00 H new ATOM 1645 N SER A 106 -6.828 5.872 10.540 1.00 0.00 N ATOM 1646 CA SER A 106 -6.421 4.536 10.965 1.00 0.00 C ATOM 1647 C SER A 106 -5.108 4.583 11.744 1.00 0.00 C ATOM 1648 O SER A 106 -4.097 5.107 11.261 1.00 0.00 O ATOM 1649 CB SER A 106 -6.268 3.625 9.747 1.00 0.00 C ATOM 1650 OG SER A 106 -6.262 2.270 10.131 1.00 0.00 O ATOM 0 H SER A 106 -6.050 6.482 10.287 1.00 0.00 H new ATOM 0 HA SER A 106 -7.195 4.138 11.622 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.085 3.805 9.048 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.342 3.863 9.224 1.00 0.00 H new ATOM 0 HG SER A 106 -6.165 1.705 9.336 1.00 0.00 H new ATOM 1656 N GLY A 107 -5.106 3.951 12.914 1.00 0.00 N ATOM 1657 CA GLY A 107 -3.932 3.680 13.721 1.00 0.00 C ATOM 1658 C GLY A 107 -3.383 4.921 14.421 1.00 0.00 C ATOM 1659 O GLY A 107 -3.837 6.046 14.179 1.00 0.00 O ATOM 0 H GLY A 107 -5.964 3.600 13.340 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -4.180 2.928 14.470 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -3.154 3.254 13.087 1.00 0.00 H new ATOM 1663 N PRO A 108 -2.384 4.738 15.298 1.00 0.00 N ATOM 1664 CA PRO A 108 -1.646 5.842 15.883 1.00 0.00 C ATOM 1665 C PRO A 108 -0.864 6.561 14.779 1.00 0.00 C ATOM 1666 O PRO A 108 -0.050 5.943 14.081 1.00 0.00 O ATOM 1667 CB PRO A 108 -0.746 5.208 16.941 1.00 0.00 C ATOM 1668 CG PRO A 108 -0.525 3.784 16.432 1.00 0.00 C ATOM 1669 CD PRO A 108 -1.847 3.458 15.743 1.00 0.00 C ATOM 0 HA PRO A 108 -2.280 6.599 16.345 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.196 5.748 17.039 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -1.220 5.212 17.923 1.00 0.00 H new ATOM 0 HG2 PRO A 108 0.315 3.728 15.740 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -0.313 3.092 17.247 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -1.694 2.783 14.901 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -2.534 2.962 16.428 1.00 0.00 H new ATOM 1677 N SER A 109 -1.139 7.855 14.603 1.00 0.00 N ATOM 1678 CA SER A 109 -0.488 8.715 13.634 1.00 0.00 C ATOM 1679 C SER A 109 -0.295 10.126 14.218 1.00 0.00 C ATOM 1680 O SER A 109 -0.486 10.360 15.419 1.00 0.00 O ATOM 1681 CB SER A 109 -1.290 8.698 12.321 1.00 0.00 C ATOM 1682 OG SER A 109 -0.458 9.105 11.250 1.00 0.00 O ATOM 0 H SER A 109 -1.846 8.342 15.154 1.00 0.00 H new ATOM 0 HA SER A 109 0.511 8.345 13.404 1.00 0.00 H new ATOM 0 HB2 SER A 109 -1.678 7.697 12.133 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.150 9.363 12.400 1.00 0.00 H new ATOM 0 HG SER A 109 -0.966 9.681 10.642 1.00 0.00 H new ATOM 1688 N SER A 110 0.127 11.063 13.372 1.00 0.00 N ATOM 1689 CA SER A 110 0.467 12.451 13.663 1.00 0.00 C ATOM 1690 C SER A 110 -0.057 13.321 12.510 1.00 0.00 C ATOM 1691 O SER A 110 -0.923 12.877 11.747 1.00 0.00 O ATOM 1692 CB SER A 110 1.991 12.525 13.841 1.00 0.00 C ATOM 1693 OG SER A 110 2.431 13.731 14.428 1.00 0.00 O ATOM 0 H SER A 110 0.250 10.851 12.382 1.00 0.00 H new ATOM 0 HA SER A 110 0.008 12.822 14.579 1.00 0.00 H new ATOM 0 HB2 SER A 110 2.318 11.689 14.459 1.00 0.00 H new ATOM 0 HB3 SER A 110 2.469 12.408 12.868 1.00 0.00 H new ATOM 0 HG SER A 110 3.407 13.715 14.515 1.00 0.00 H new ATOM 1699 N GLY A 111 0.441 14.549 12.368 1.00 0.00 N ATOM 1700 CA GLY A 111 0.157 15.410 11.231 1.00 0.00 C ATOM 1701 C GLY A 111 1.151 15.112 10.131 1.00 0.00 C ATOM 1702 O GLY A 111 2.301 15.588 10.259 1.00 0.00 O ATOM 0 H GLY A 111 1.063 14.976 13.054 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.860 15.242 10.876 1.00 0.00 H new ATOM 0 HA3 GLY A 111 0.223 16.457 11.525 1.00 0.00 H new TER 1706 GLY A 111