USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 744 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 80 THR OG1 : rot 89:sc= 0.42 USER MOD Set 1.2: A 97 LYS NZ :NH3+ -158:sc= 0.816 (180deg=0) USER MOD Set 2.1: A 20 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.46) USER MOD Set 2.2: A 23 ASN : amide:sc= 0 X(o=-0.19,f=-0.19) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0115 X(o=-0.011,f=-0.37) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.285 K(o=-0.29,f=-3.6!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.632 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -80:sc= -0.202 USER MOD Single : A 48 MET CE :methyl 176:sc=-0.00303 (180deg=-0.0215) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= -0.332 USER MOD Single : A 65 GLN : amide:sc= -0.0548 K(o=-0.055,f=-1.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.868! C(o=-0.87!,f=-4.9!) USER MOD Single : A 69 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.45) USER MOD Single : A 76 ASN : amide:sc=-0.000518 X(o=-0.00052,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=-0.0097) USER MOD Single : A 79 TYR OH : rot -90:sc= -0.394 USER MOD Single : A 85 GLN : amide:sc= -0.278 K(o=-0.28,f=-2.1!) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.0154 F(o=-1.3!,f=-0.015) USER MOD Single : A 90 THR OG1 : rot -14:sc= 0.962 USER MOD Single : A 93 TYR OH : rot 180:sc= -1.68! USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.589 17.174 -28.514 1.00 0.00 N ATOM 2 CA MET A 1 -7.494 18.171 -28.632 1.00 0.00 C ATOM 3 C MET A 1 -7.449 18.777 -30.032 1.00 0.00 C ATOM 4 O MET A 1 -6.556 18.472 -30.824 1.00 0.00 O ATOM 5 CB MET A 1 -6.168 17.478 -28.311 1.00 0.00 C ATOM 6 CG MET A 1 -5.595 17.858 -26.955 1.00 0.00 C ATOM 7 SD MET A 1 -4.163 18.945 -27.084 1.00 0.00 S ATOM 8 CE MET A 1 -2.834 17.800 -26.717 1.00 0.00 C ATOM 0 H1 MET A 1 -8.596 16.778 -27.552 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.501 17.636 -28.705 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.437 16.409 -29.202 1.00 0.00 H new ATOM 0 HA MET A 1 -7.672 18.985 -27.929 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.314 16.398 -28.345 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.442 17.725 -29.085 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.367 18.350 -26.364 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.311 16.953 -26.418 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.880 18.325 -26.758 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.977 17.384 -25.720 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.836 16.993 -27.450 1.00 0.00 H new ATOM 20 N GLY A 2 -8.418 19.637 -30.330 1.00 0.00 N ATOM 21 CA GLY A 2 -8.471 20.274 -31.633 1.00 0.00 C ATOM 22 C GLY A 2 -7.535 21.462 -31.735 1.00 0.00 C ATOM 23 O GLY A 2 -7.080 21.811 -32.825 1.00 0.00 O ATOM 0 H GLY A 2 -9.168 19.904 -29.692 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.213 19.545 -32.401 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.491 20.601 -31.833 1.00 0.00 H new ATOM 27 N SER A 3 -7.248 22.084 -30.597 1.00 0.00 N ATOM 28 CA SER A 3 -6.359 23.239 -30.559 1.00 0.00 C ATOM 29 C SER A 3 -4.904 22.801 -30.438 1.00 0.00 C ATOM 30 O SER A 3 -4.615 21.623 -30.231 1.00 0.00 O ATOM 31 CB SER A 3 -6.728 24.155 -29.389 1.00 0.00 C ATOM 32 OG SER A 3 -8.125 24.140 -29.151 1.00 0.00 O ATOM 0 H SER A 3 -7.618 21.807 -29.688 1.00 0.00 H new ATOM 0 HA SER A 3 -6.478 23.789 -31.493 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.199 23.834 -28.491 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.403 25.173 -29.604 1.00 0.00 H new ATOM 0 HG SER A 3 -8.335 24.731 -28.398 1.00 0.00 H new ATOM 38 N SER A 4 -3.991 23.758 -30.571 1.00 0.00 N ATOM 39 CA SER A 4 -2.565 23.473 -30.477 1.00 0.00 C ATOM 40 C SER A 4 -1.878 24.446 -29.524 1.00 0.00 C ATOM 41 O SER A 4 -2.455 25.462 -29.137 1.00 0.00 O ATOM 42 CB SER A 4 -1.916 23.554 -31.861 1.00 0.00 C ATOM 43 OG SER A 4 -0.745 22.758 -31.924 1.00 0.00 O ATOM 0 H SER A 4 -4.214 24.738 -30.744 1.00 0.00 H new ATOM 0 HA SER A 4 -2.446 22.463 -30.085 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.626 23.222 -32.619 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.667 24.590 -32.089 1.00 0.00 H new ATOM 0 HG SER A 4 -0.351 22.826 -32.819 1.00 0.00 H new ATOM 49 N HIS A 5 -0.644 24.127 -29.147 1.00 0.00 N ATOM 50 CA HIS A 5 0.121 24.974 -28.239 1.00 0.00 C ATOM 51 C HIS A 5 0.673 26.194 -28.969 1.00 0.00 C ATOM 52 O HIS A 5 1.692 26.110 -29.656 1.00 0.00 O ATOM 53 CB HIS A 5 1.268 24.179 -27.610 1.00 0.00 C ATOM 54 CG HIS A 5 0.951 23.650 -26.245 1.00 0.00 C ATOM 55 ND1 HIS A 5 1.465 24.235 -25.113 1.00 0.00 N ATOM 56 CD2 HIS A 5 0.176 22.597 -25.887 1.00 0.00 C ATOM 57 CE1 HIS A 5 0.997 23.532 -24.097 1.00 0.00 C ATOM 58 NE2 HIS A 5 0.211 22.531 -24.519 1.00 0.00 N ATOM 0 H HIS A 5 -0.153 23.288 -29.456 1.00 0.00 H new ATOM 0 HA HIS A 5 -0.549 25.317 -27.451 1.00 0.00 H new ATOM 0 HB2 HIS A 5 1.523 23.345 -28.264 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.150 24.816 -27.548 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -0.364 21.938 -26.551 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.219 23.737 -23.060 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -0.270 21.849 -23.932 1.00 0.00 H new ATOM 66 N HIS A 6 -0.008 27.325 -28.819 1.00 0.00 N ATOM 67 CA HIS A 6 0.413 28.563 -29.465 1.00 0.00 C ATOM 68 C HIS A 6 0.227 29.756 -28.534 1.00 0.00 C ATOM 69 O HIS A 6 1.200 30.352 -28.073 1.00 0.00 O ATOM 70 CB HIS A 6 -0.378 28.782 -30.757 1.00 0.00 C ATOM 71 CG HIS A 6 0.455 28.666 -31.995 1.00 0.00 C ATOM 72 ND1 HIS A 6 0.868 27.445 -32.471 1.00 0.00 N ATOM 73 CD2 HIS A 6 0.921 29.641 -32.813 1.00 0.00 C ATOM 74 CE1 HIS A 6 1.572 27.699 -33.560 1.00 0.00 C ATOM 75 NE2 HIS A 6 1.631 29.016 -33.804 1.00 0.00 N ATOM 0 H HIS A 6 -0.854 27.410 -28.256 1.00 0.00 H new ATOM 0 HA HIS A 6 1.473 28.475 -29.704 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -1.189 28.055 -30.805 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -0.837 29.770 -30.729 1.00 0.00 H new ATOM 0 HD2 HIS A 6 0.763 30.704 -32.705 1.00 0.00 H new ATOM 0 HE1 HIS A 6 2.039 26.943 -34.174 1.00 0.00 H new ATOM 0 HE2 HIS A 6 2.114 29.467 -34.581 1.00 0.00 H new ATOM 83 N HIS A 7 -1.029 30.099 -28.261 1.00 0.00 N ATOM 84 CA HIS A 7 -1.342 31.222 -27.385 1.00 0.00 C ATOM 85 C HIS A 7 -2.401 30.834 -26.358 1.00 0.00 C ATOM 86 O HIS A 7 -3.559 30.601 -26.705 1.00 0.00 O ATOM 87 CB HIS A 7 -1.827 32.418 -28.207 1.00 0.00 C ATOM 88 CG HIS A 7 -0.717 33.217 -28.814 1.00 0.00 C ATOM 89 ND1 HIS A 7 -0.560 33.305 -30.178 1.00 0.00 N ATOM 90 CD2 HIS A 7 0.255 33.943 -28.208 1.00 0.00 C ATOM 91 CE1 HIS A 7 0.497 34.075 -30.371 1.00 0.00 C ATOM 92 NE2 HIS A 7 1.021 34.484 -29.206 1.00 0.00 N ATOM 0 H HIS A 7 -1.846 29.615 -28.634 1.00 0.00 H new ATOM 0 HA HIS A 7 -0.432 31.500 -26.854 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -2.483 32.061 -29.001 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -2.425 33.069 -27.569 1.00 0.00 H new ATOM 0 HD2 HIS A 7 0.397 34.070 -27.145 1.00 0.00 H new ATOM 0 HE1 HIS A 7 0.888 34.341 -31.342 1.00 0.00 H new ATOM 0 HE2 HIS A 7 1.836 35.085 -29.086 1.00 0.00 H new ATOM 100 N HIS A 8 -1.996 30.769 -25.093 1.00 0.00 N ATOM 101 CA HIS A 8 -2.910 30.413 -24.014 1.00 0.00 C ATOM 102 C HIS A 8 -2.707 31.326 -22.808 1.00 0.00 C ATOM 103 O HIS A 8 -1.849 32.209 -22.824 1.00 0.00 O ATOM 104 CB HIS A 8 -2.702 28.954 -23.604 1.00 0.00 C ATOM 105 CG HIS A 8 -3.020 27.975 -24.689 1.00 0.00 C ATOM 106 ND1 HIS A 8 -4.196 28.047 -25.397 1.00 0.00 N ATOM 107 CD2 HIS A 8 -2.290 26.930 -25.148 1.00 0.00 C ATOM 108 CE1 HIS A 8 -4.157 27.051 -26.266 1.00 0.00 C ATOM 109 NE2 HIS A 8 -3.022 26.348 -26.150 1.00 0.00 N ATOM 0 H HIS A 8 -1.040 30.958 -24.791 1.00 0.00 H new ATOM 0 HA HIS A 8 -3.930 30.540 -24.376 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.666 28.817 -23.295 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.325 28.737 -22.736 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.319 26.616 -24.793 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.939 26.832 -26.978 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -2.754 25.534 -26.703 1.00 0.00 H new ATOM 117 N HIS A 9 -3.500 31.106 -21.765 1.00 0.00 N ATOM 118 CA HIS A 9 -3.407 31.910 -20.551 1.00 0.00 C ATOM 119 C HIS A 9 -2.927 31.067 -19.374 1.00 0.00 C ATOM 120 O HIS A 9 -1.824 31.268 -18.863 1.00 0.00 O ATOM 121 CB HIS A 9 -4.764 32.536 -20.224 1.00 0.00 C ATOM 122 CG HIS A 9 -4.773 34.031 -20.313 1.00 0.00 C ATOM 123 ND1 HIS A 9 -4.370 34.814 -19.257 1.00 0.00 N ATOM 124 CD2 HIS A 9 -5.140 34.831 -21.343 1.00 0.00 C ATOM 125 CE1 HIS A 9 -4.501 36.064 -19.664 1.00 0.00 C ATOM 126 NE2 HIS A 9 -4.963 36.122 -20.921 1.00 0.00 N ATOM 0 H HIS A 9 -4.214 30.378 -21.735 1.00 0.00 H new ATOM 0 HA HIS A 9 -2.680 32.703 -20.726 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.513 32.135 -20.907 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.059 32.239 -19.218 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -5.502 34.513 -22.309 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -4.266 36.929 -19.061 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -5.148 36.967 -21.461 1.00 0.00 H new ATOM 134 N HIS A 10 -3.761 30.124 -18.947 1.00 0.00 N ATOM 135 CA HIS A 10 -3.422 29.250 -17.830 1.00 0.00 C ATOM 136 C HIS A 10 -3.441 27.786 -18.259 1.00 0.00 C ATOM 137 O HIS A 10 -4.010 26.934 -17.576 1.00 0.00 O ATOM 138 CB HIS A 10 -4.398 29.469 -16.671 1.00 0.00 C ATOM 139 CG HIS A 10 -4.272 30.814 -16.027 1.00 0.00 C ATOM 140 ND1 HIS A 10 -4.598 31.967 -16.702 1.00 0.00 N ATOM 141 CD2 HIS A 10 -3.855 31.136 -14.777 1.00 0.00 C ATOM 142 CE1 HIS A 10 -4.374 32.957 -15.857 1.00 0.00 C ATOM 143 NE2 HIS A 10 -3.924 32.501 -14.679 1.00 0.00 N ATOM 0 H HIS A 10 -4.677 29.946 -19.358 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.414 29.498 -17.498 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.417 29.345 -17.037 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.234 28.698 -15.918 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.531 30.450 -14.008 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.533 34.000 -16.086 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -3.679 33.064 -13.864 1.00 0.00 H new ATOM 151 N SER A 11 -2.815 27.501 -19.397 1.00 0.00 N ATOM 152 CA SER A 11 -2.758 26.141 -19.920 1.00 0.00 C ATOM 153 C SER A 11 -1.344 25.793 -20.375 1.00 0.00 C ATOM 154 O SER A 11 -1.154 25.157 -21.413 1.00 0.00 O ATOM 155 CB SER A 11 -3.737 25.982 -21.085 1.00 0.00 C ATOM 156 OG SER A 11 -4.451 24.761 -20.988 1.00 0.00 O ATOM 0 H SER A 11 -2.340 28.195 -19.975 1.00 0.00 H new ATOM 0 HA SER A 11 -3.041 25.456 -19.121 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.438 26.817 -21.092 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.193 26.015 -22.029 1.00 0.00 H new ATOM 0 HG SER A 11 -5.071 24.684 -21.743 1.00 0.00 H new ATOM 162 N SER A 12 -0.355 26.214 -19.592 1.00 0.00 N ATOM 163 CA SER A 12 1.042 25.948 -19.914 1.00 0.00 C ATOM 164 C SER A 12 1.727 25.189 -18.780 1.00 0.00 C ATOM 165 O SER A 12 2.695 25.671 -18.192 1.00 0.00 O ATOM 166 CB SER A 12 1.781 27.260 -20.188 1.00 0.00 C ATOM 167 OG SER A 12 1.149 27.995 -21.222 1.00 0.00 O ATOM 0 H SER A 12 -0.496 26.741 -18.730 1.00 0.00 H new ATOM 0 HA SER A 12 1.072 25.328 -20.810 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.813 27.860 -19.278 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.813 27.048 -20.467 1.00 0.00 H new ATOM 0 HG SER A 12 1.639 28.829 -21.377 1.00 0.00 H new ATOM 173 N GLY A 13 1.218 23.997 -18.482 1.00 0.00 N ATOM 174 CA GLY A 13 1.791 23.188 -17.421 1.00 0.00 C ATOM 175 C GLY A 13 3.191 22.708 -17.752 1.00 0.00 C ATOM 176 O GLY A 13 3.524 22.500 -18.919 1.00 0.00 O ATOM 0 H GLY A 13 0.419 23.577 -18.957 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.817 23.769 -16.499 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.149 22.327 -17.237 1.00 0.00 H new ATOM 180 N LEU A 14 4.014 22.532 -16.722 1.00 0.00 N ATOM 181 CA LEU A 14 5.386 22.074 -16.910 1.00 0.00 C ATOM 182 C LEU A 14 5.747 20.998 -15.892 1.00 0.00 C ATOM 183 O LEU A 14 5.092 20.861 -14.859 1.00 0.00 O ATOM 184 CB LEU A 14 6.358 23.250 -16.792 1.00 0.00 C ATOM 185 CG LEU A 14 6.254 24.290 -17.909 1.00 0.00 C ATOM 186 CD1 LEU A 14 6.878 25.606 -17.472 1.00 0.00 C ATOM 187 CD2 LEU A 14 6.917 23.777 -19.178 1.00 0.00 C ATOM 0 H LEU A 14 3.755 22.700 -15.750 1.00 0.00 H new ATOM 0 HA LEU A 14 5.464 21.644 -17.908 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.189 23.747 -15.837 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.376 22.860 -16.773 1.00 0.00 H new ATOM 0 HG LEU A 14 5.199 24.465 -18.120 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.795 26.334 -18.279 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.357 25.981 -16.591 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.930 25.448 -17.233 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.833 24.530 -19.962 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.970 23.573 -18.982 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.424 22.860 -19.501 1.00 0.00 H new ATOM 199 N VAL A 15 6.794 20.236 -16.193 1.00 0.00 N ATOM 200 CA VAL A 15 7.245 19.168 -15.308 1.00 0.00 C ATOM 201 C VAL A 15 8.337 19.653 -14.347 1.00 0.00 C ATOM 202 O VAL A 15 8.234 19.442 -13.139 1.00 0.00 O ATOM 203 CB VAL A 15 7.768 17.954 -16.102 1.00 0.00 C ATOM 204 CG1 VAL A 15 7.953 16.755 -15.186 1.00 0.00 C ATOM 205 CG2 VAL A 15 6.825 17.617 -17.248 1.00 0.00 C ATOM 0 H VAL A 15 7.346 20.339 -17.044 1.00 0.00 H new ATOM 0 HA VAL A 15 6.375 18.862 -14.728 1.00 0.00 H new ATOM 0 HB VAL A 15 8.739 18.212 -16.525 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.323 15.909 -15.765 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.672 17.002 -14.404 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.998 16.494 -14.731 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.211 16.758 -17.796 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.839 17.380 -16.850 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.749 18.472 -17.920 1.00 0.00 H new ATOM 215 N PRO A 16 9.402 20.311 -14.862 1.00 0.00 N ATOM 216 CA PRO A 16 10.498 20.807 -14.018 1.00 0.00 C ATOM 217 C PRO A 16 10.003 21.722 -12.902 1.00 0.00 C ATOM 218 O PRO A 16 10.681 21.903 -11.890 1.00 0.00 O ATOM 219 CB PRO A 16 11.385 21.587 -14.993 1.00 0.00 C ATOM 220 CG PRO A 16 11.080 21.012 -16.331 1.00 0.00 C ATOM 221 CD PRO A 16 9.631 20.614 -16.289 1.00 0.00 C ATOM 0 HA PRO A 16 11.016 19.993 -13.512 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.164 22.654 -14.962 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.440 21.473 -14.745 1.00 0.00 H new ATOM 0 HG2 PRO A 16 11.262 21.742 -17.120 1.00 0.00 H new ATOM 0 HG3 PRO A 16 11.715 20.151 -16.540 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.983 21.418 -16.638 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.433 19.748 -16.921 1.00 0.00 H new ATOM 229 N ARG A 17 8.820 22.297 -13.093 1.00 0.00 N ATOM 230 CA ARG A 17 8.235 23.191 -12.099 1.00 0.00 C ATOM 231 C ARG A 17 7.936 22.442 -10.804 1.00 0.00 C ATOM 232 O ARG A 17 7.979 21.212 -10.762 1.00 0.00 O ATOM 233 CB ARG A 17 6.954 23.827 -12.644 1.00 0.00 C ATOM 234 CG ARG A 17 7.122 25.283 -13.046 1.00 0.00 C ATOM 235 CD ARG A 17 6.177 26.189 -12.273 1.00 0.00 C ATOM 236 NE ARG A 17 6.898 27.125 -11.414 1.00 0.00 N ATOM 237 CZ ARG A 17 7.484 28.233 -11.859 1.00 0.00 C ATOM 238 NH1 ARG A 17 7.435 28.543 -13.147 1.00 0.00 N ATOM 239 NH2 ARG A 17 8.121 29.032 -11.013 1.00 0.00 N ATOM 0 H ARG A 17 8.248 22.160 -13.926 1.00 0.00 H new ATOM 0 HA ARG A 17 8.958 23.978 -11.884 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.614 23.257 -13.509 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.172 23.755 -11.888 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.152 25.594 -12.868 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.937 25.390 -14.115 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.554 26.745 -12.973 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.508 25.581 -11.665 1.00 0.00 H new ATOM 0 HE ARG A 17 6.955 26.917 -10.417 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.947 27.931 -13.801 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.886 29.394 -13.484 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.161 28.797 -10.021 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.570 29.882 -11.354 1.00 0.00 H new ATOM 253 N GLY A 18 7.639 23.193 -9.747 1.00 0.00 N ATOM 254 CA GLY A 18 7.342 22.585 -8.464 1.00 0.00 C ATOM 255 C GLY A 18 6.011 21.858 -8.457 1.00 0.00 C ATOM 256 O GLY A 18 4.955 22.487 -8.398 1.00 0.00 O ATOM 0 H GLY A 18 7.599 24.212 -9.757 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.136 21.884 -8.206 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.335 23.356 -7.694 1.00 0.00 H new ATOM 260 N SER A 19 6.063 20.532 -8.514 1.00 0.00 N ATOM 261 CA SER A 19 4.853 19.717 -8.511 1.00 0.00 C ATOM 262 C SER A 19 4.987 18.550 -7.537 1.00 0.00 C ATOM 263 O SER A 19 5.435 17.465 -7.910 1.00 0.00 O ATOM 264 CB SER A 19 4.564 19.192 -9.919 1.00 0.00 C ATOM 265 OG SER A 19 3.169 19.119 -10.159 1.00 0.00 O ATOM 0 H SER A 19 6.931 19.998 -8.563 1.00 0.00 H new ATOM 0 HA SER A 19 4.022 20.344 -8.187 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.030 19.845 -10.657 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.010 18.205 -10.041 1.00 0.00 H new ATOM 0 HG SER A 19 3.010 18.782 -11.066 1.00 0.00 H new ATOM 271 N HIS A 20 4.598 18.782 -6.287 1.00 0.00 N ATOM 272 CA HIS A 20 4.674 17.752 -5.259 1.00 0.00 C ATOM 273 C HIS A 20 3.420 17.755 -4.392 1.00 0.00 C ATOM 274 O HIS A 20 3.413 17.209 -3.289 1.00 0.00 O ATOM 275 CB HIS A 20 5.913 17.964 -4.385 1.00 0.00 C ATOM 276 CG HIS A 20 7.137 17.278 -4.906 1.00 0.00 C ATOM 277 ND1 HIS A 20 7.078 16.011 -5.435 1.00 0.00 N ATOM 278 CD2 HIS A 20 8.417 17.722 -4.960 1.00 0.00 C ATOM 279 CE1 HIS A 20 8.314 15.711 -5.795 1.00 0.00 C ATOM 280 NE2 HIS A 20 9.158 16.717 -5.525 1.00 0.00 N ATOM 0 H HIS A 20 4.227 19.675 -5.962 1.00 0.00 H new ATOM 0 HA HIS A 20 4.749 16.784 -5.755 1.00 0.00 H new ATOM 0 HB2 HIS A 20 6.112 19.033 -4.304 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.704 17.602 -3.378 1.00 0.00 H new ATOM 0 HD2 HIS A 20 8.782 18.681 -4.623 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.606 14.775 -6.248 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.162 16.732 -5.706 1.00 0.00 H new ATOM 288 N MET A 21 2.358 18.373 -4.901 1.00 0.00 N ATOM 289 CA MET A 21 1.095 18.447 -4.176 1.00 0.00 C ATOM 290 C MET A 21 0.133 17.362 -4.645 1.00 0.00 C ATOM 291 O MET A 21 -0.349 16.559 -3.846 1.00 0.00 O ATOM 292 CB MET A 21 0.458 19.827 -4.363 1.00 0.00 C ATOM 293 CG MET A 21 0.528 20.701 -3.122 1.00 0.00 C ATOM 294 SD MET A 21 -0.088 22.370 -3.412 1.00 0.00 S ATOM 295 CE MET A 21 -1.735 22.249 -2.718 1.00 0.00 C ATOM 0 H MET A 21 2.348 18.830 -5.813 1.00 0.00 H new ATOM 0 HA MET A 21 1.302 18.289 -3.118 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.955 20.339 -5.187 1.00 0.00 H new ATOM 0 HB3 MET A 21 -0.586 19.701 -4.650 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.051 20.238 -2.323 1.00 0.00 H new ATOM 0 HG3 MET A 21 1.561 20.754 -2.777 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.245 23.207 -2.822 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.297 21.479 -3.247 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.667 21.987 -1.662 1.00 0.00 H new ATOM 305 N LYS A 22 -0.140 17.342 -5.946 1.00 0.00 N ATOM 306 CA LYS A 22 -1.041 16.353 -6.524 1.00 0.00 C ATOM 307 C LYS A 22 -0.300 15.056 -6.832 1.00 0.00 C ATOM 308 O LYS A 22 -0.914 14.000 -6.984 1.00 0.00 O ATOM 309 CB LYS A 22 -1.684 16.903 -7.800 1.00 0.00 C ATOM 310 CG LYS A 22 -3.002 16.234 -8.154 1.00 0.00 C ATOM 311 CD LYS A 22 -3.878 17.139 -9.004 1.00 0.00 C ATOM 312 CE LYS A 22 -5.277 17.267 -8.424 1.00 0.00 C ATOM 313 NZ LYS A 22 -5.370 18.376 -7.434 1.00 0.00 N ATOM 0 H LYS A 22 0.251 18.001 -6.620 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.822 16.139 -5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.850 17.974 -7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.989 16.779 -8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.807 15.306 -8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.532 15.967 -7.240 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.421 18.126 -9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.938 16.741 -10.017 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.990 17.440 -9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.559 16.329 -7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.340 18.429 -7.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.709 18.199 -6.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.126 19.275 -7.896 1.00 0.00 H new ATOM 327 N ASN A 23 1.023 15.145 -6.919 1.00 0.00 N ATOM 328 CA ASN A 23 1.852 13.980 -7.206 1.00 0.00 C ATOM 329 C ASN A 23 1.757 12.955 -6.080 1.00 0.00 C ATOM 330 O ASN A 23 2.328 13.144 -5.005 1.00 0.00 O ATOM 331 CB ASN A 23 3.310 14.403 -7.406 1.00 0.00 C ATOM 332 CG ASN A 23 4.255 13.221 -7.475 1.00 0.00 C ATOM 333 OD1 ASN A 23 5.118 13.051 -6.613 1.00 0.00 O ATOM 334 ND2 ASN A 23 4.098 12.395 -8.503 1.00 0.00 N ATOM 0 H ASN A 23 1.545 16.013 -6.795 1.00 0.00 H new ATOM 0 HA ASN A 23 1.485 13.520 -8.124 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.393 14.984 -8.324 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.611 15.056 -6.587 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.706 11.582 -8.601 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.370 12.574 -9.194 1.00 0.00 H new ATOM 341 N ILE A 24 1.030 11.871 -6.332 1.00 0.00 N ATOM 342 CA ILE A 24 0.856 10.818 -5.338 1.00 0.00 C ATOM 343 C ILE A 24 1.955 9.764 -5.456 1.00 0.00 C ATOM 344 O ILE A 24 2.441 9.480 -6.552 1.00 0.00 O ATOM 345 CB ILE A 24 -0.522 10.139 -5.472 1.00 0.00 C ATOM 346 CG1 ILE A 24 -0.797 9.248 -4.260 1.00 0.00 C ATOM 347 CG2 ILE A 24 -0.601 9.332 -6.760 1.00 0.00 C ATOM 348 CD1 ILE A 24 -2.178 9.435 -3.672 1.00 0.00 C ATOM 0 H ILE A 24 0.552 11.699 -7.216 1.00 0.00 H new ATOM 0 HA ILE A 24 0.919 11.291 -4.358 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.286 10.915 -5.510 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.673 8.205 -4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.053 9.455 -3.491 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.581 8.861 -6.835 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.450 9.993 -7.613 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.171 8.563 -6.755 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.302 8.771 -2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.299 10.469 -3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.929 9.200 -4.426 1.00 0.00 H new ATOM 360 N VAL A 25 2.344 9.191 -4.322 1.00 0.00 N ATOM 361 CA VAL A 25 3.392 8.176 -4.298 1.00 0.00 C ATOM 362 C VAL A 25 2.846 6.805 -3.878 1.00 0.00 C ATOM 363 O VAL A 25 3.069 5.814 -4.575 1.00 0.00 O ATOM 364 CB VAL A 25 4.553 8.571 -3.360 1.00 0.00 C ATOM 365 CG1 VAL A 25 5.851 7.925 -3.819 1.00 0.00 C ATOM 366 CG2 VAL A 25 4.698 10.084 -3.292 1.00 0.00 C ATOM 0 H VAL A 25 1.950 9.412 -3.408 1.00 0.00 H new ATOM 0 HA VAL A 25 3.772 8.108 -5.317 1.00 0.00 H new ATOM 0 HB VAL A 25 4.325 8.207 -2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.659 8.214 -3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.741 6.841 -3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.085 8.257 -4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.522 10.341 -2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.902 10.475 -4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.774 10.521 -2.913 1.00 0.00 H new ATOM 376 N PRO A 26 2.125 6.715 -2.737 1.00 0.00 N ATOM 377 CA PRO A 26 1.568 5.441 -2.262 1.00 0.00 C ATOM 378 C PRO A 26 0.591 4.827 -3.261 1.00 0.00 C ATOM 379 O PRO A 26 -0.580 5.204 -3.314 1.00 0.00 O ATOM 380 CB PRO A 26 0.842 5.816 -0.964 1.00 0.00 C ATOM 381 CG PRO A 26 0.631 7.289 -1.046 1.00 0.00 C ATOM 382 CD PRO A 26 1.796 7.826 -1.825 1.00 0.00 C ATOM 0 HA PRO A 26 2.346 4.690 -2.123 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.107 5.287 -0.876 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.437 5.551 -0.090 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.311 7.522 -1.541 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.587 7.734 -0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.533 8.732 -2.371 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.635 8.077 -1.176 1.00 0.00 H new ATOM 390 N ASP A 27 1.082 3.872 -4.047 1.00 0.00 N ATOM 391 CA ASP A 27 0.260 3.198 -5.046 1.00 0.00 C ATOM 392 C ASP A 27 -0.867 2.405 -4.389 1.00 0.00 C ATOM 393 O ASP A 27 -2.019 2.839 -4.387 1.00 0.00 O ATOM 394 CB ASP A 27 1.119 2.270 -5.907 1.00 0.00 C ATOM 395 CG ASP A 27 0.303 1.522 -6.942 1.00 0.00 C ATOM 396 OD1 ASP A 27 -0.228 2.175 -7.865 1.00 0.00 O ATOM 397 OD2 ASP A 27 0.195 0.283 -6.829 1.00 0.00 O ATOM 0 H ASP A 27 2.048 3.547 -4.010 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.185 3.963 -5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.890 2.855 -6.409 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.631 1.553 -5.265 1.00 0.00 H new ATOM 402 N TYR A 28 -0.538 1.231 -3.850 1.00 0.00 N ATOM 403 CA TYR A 28 -1.548 0.391 -3.207 1.00 0.00 C ATOM 404 C TYR A 28 -1.054 -0.149 -1.869 1.00 0.00 C ATOM 405 O TYR A 28 0.134 -0.075 -1.557 1.00 0.00 O ATOM 406 CB TYR A 28 -1.941 -0.768 -4.126 1.00 0.00 C ATOM 407 CG TYR A 28 -3.154 -0.478 -4.984 1.00 0.00 C ATOM 408 CD1 TYR A 28 -4.437 -0.548 -4.456 1.00 0.00 C ATOM 409 CD2 TYR A 28 -3.014 -0.139 -6.325 1.00 0.00 C ATOM 410 CE1 TYR A 28 -5.546 -0.286 -5.238 1.00 0.00 C ATOM 411 CE2 TYR A 28 -4.119 0.124 -7.113 1.00 0.00 C ATOM 412 CZ TYR A 28 -5.382 0.050 -6.565 1.00 0.00 C ATOM 413 OH TYR A 28 -6.484 0.312 -7.346 1.00 0.00 O ATOM 0 H TYR A 28 0.406 0.844 -3.845 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.424 1.012 -3.019 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.098 -1.009 -4.773 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.139 -1.651 -3.519 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.570 -0.812 -3.417 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.026 -0.080 -6.758 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.537 -0.344 -4.812 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.993 0.386 -8.153 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.195 0.534 -8.256 1.00 0.00 H new ATOM 423 N ARG A 29 -1.982 -0.673 -1.068 1.00 0.00 N ATOM 424 CA ARG A 29 -1.642 -1.216 0.242 1.00 0.00 C ATOM 425 C ARG A 29 -2.320 -2.564 0.485 1.00 0.00 C ATOM 426 O ARG A 29 -3.512 -2.728 0.221 1.00 0.00 O ATOM 427 CB ARG A 29 -2.042 -0.228 1.342 1.00 0.00 C ATOM 428 CG ARG A 29 -3.414 0.392 1.137 1.00 0.00 C ATOM 429 CD ARG A 29 -4.150 0.567 2.456 1.00 0.00 C ATOM 430 NE ARG A 29 -5.494 1.108 2.267 1.00 0.00 N ATOM 431 CZ ARG A 29 -5.849 2.342 2.613 1.00 0.00 C ATOM 432 NH1 ARG A 29 -4.961 3.164 3.160 1.00 0.00 N ATOM 433 NH2 ARG A 29 -7.091 2.758 2.411 1.00 0.00 N ATOM 0 H ARG A 29 -2.972 -0.732 -1.305 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.563 -1.372 0.266 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.025 -0.742 2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.298 0.567 1.392 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.307 1.360 0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.003 -0.238 0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.215 -0.395 2.965 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.579 1.233 3.104 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.200 0.505 1.846 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.003 2.850 3.316 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.237 4.110 3.424 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.777 2.131 1.989 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.361 3.705 2.677 1.00 0.00 H new ATOM 447 N LEU A 30 -1.554 -3.515 1.013 1.00 0.00 N ATOM 448 CA LEU A 30 -2.070 -4.845 1.324 1.00 0.00 C ATOM 449 C LEU A 30 -1.786 -5.195 2.784 1.00 0.00 C ATOM 450 O LEU A 30 -0.872 -5.963 3.082 1.00 0.00 O ATOM 451 CB LEU A 30 -1.430 -5.890 0.399 1.00 0.00 C ATOM 452 CG LEU A 30 -2.303 -7.108 0.068 1.00 0.00 C ATOM 453 CD1 LEU A 30 -2.416 -8.031 1.275 1.00 0.00 C ATOM 454 CD2 LEU A 30 -3.682 -6.669 -0.404 1.00 0.00 C ATOM 0 H LEU A 30 -0.567 -3.388 1.236 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.148 -4.846 1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.152 -5.401 -0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.508 -6.242 0.861 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.826 -7.661 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.039 -8.889 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.423 -8.376 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.867 -7.489 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.285 -7.548 -0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.168 -6.090 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.582 -6.054 -1.298 1.00 0.00 H new ATOM 466 N ASP A 31 -2.571 -4.621 3.694 1.00 0.00 N ATOM 467 CA ASP A 31 -2.378 -4.849 5.124 1.00 0.00 C ATOM 468 C ASP A 31 -3.419 -5.819 5.681 1.00 0.00 C ATOM 469 O ASP A 31 -4.295 -5.432 6.454 1.00 0.00 O ATOM 470 CB ASP A 31 -2.445 -3.523 5.885 1.00 0.00 C ATOM 471 CG ASP A 31 -2.057 -2.339 5.021 1.00 0.00 C ATOM 472 OD1 ASP A 31 -2.927 -1.838 4.278 1.00 0.00 O ATOM 473 OD2 ASP A 31 -0.885 -1.913 5.086 1.00 0.00 O ATOM 0 H ASP A 31 -3.345 -3.996 3.467 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.392 -5.295 5.259 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.456 -3.376 6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.783 -3.570 6.750 1.00 0.00 H new ATOM 478 N MET A 32 -3.346 -7.073 5.239 1.00 0.00 N ATOM 479 CA MET A 32 -4.269 -8.105 5.705 1.00 0.00 C ATOM 480 C MET A 32 -3.536 -9.420 5.994 1.00 0.00 C ATOM 481 O MET A 32 -2.826 -9.547 6.994 1.00 0.00 O ATOM 482 CB MET A 32 -5.379 -8.327 4.675 1.00 0.00 C ATOM 483 CG MET A 32 -6.347 -7.160 4.565 1.00 0.00 C ATOM 484 SD MET A 32 -6.806 -6.796 2.860 1.00 0.00 S ATOM 485 CE MET A 32 -7.144 -5.041 2.970 1.00 0.00 C ATOM 0 H MET A 32 -2.658 -7.398 4.560 1.00 0.00 H new ATOM 0 HA MET A 32 -4.716 -7.761 6.638 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.928 -8.507 3.699 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.935 -9.226 4.940 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.246 -7.384 5.139 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.895 -6.275 5.012 1.00 0.00 H new ATOM 0 HE1 MET A 32 -7.442 -4.666 1.991 1.00 0.00 H new ATOM 0 HE2 MET A 32 -7.949 -4.870 3.685 1.00 0.00 H new ATOM 0 HE3 MET A 32 -6.247 -4.518 3.301 1.00 0.00 H new ATOM 495 N VAL A 33 -3.720 -10.402 5.112 1.00 0.00 N ATOM 496 CA VAL A 33 -3.087 -11.704 5.268 1.00 0.00 C ATOM 497 C VAL A 33 -2.472 -12.170 3.951 1.00 0.00 C ATOM 498 O VAL A 33 -3.031 -11.937 2.879 1.00 0.00 O ATOM 499 CB VAL A 33 -4.099 -12.756 5.763 1.00 0.00 C ATOM 500 CG1 VAL A 33 -5.163 -13.023 4.709 1.00 0.00 C ATOM 501 CG2 VAL A 33 -3.386 -14.043 6.151 1.00 0.00 C ATOM 0 H VAL A 33 -4.305 -10.316 4.281 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.298 -11.597 6.012 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.596 -12.361 6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.865 -13.769 5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.698 -12.099 4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.690 -13.393 3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.117 -14.773 6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.858 -14.442 5.285 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.672 -13.837 6.949 1.00 0.00 H new ATOM 511 N GLY A 34 -1.316 -12.821 4.037 1.00 0.00 N ATOM 512 CA GLY A 34 -0.650 -13.306 2.842 1.00 0.00 C ATOM 513 C GLY A 34 -1.489 -14.319 2.086 1.00 0.00 C ATOM 514 O GLY A 34 -1.273 -14.548 0.896 1.00 0.00 O ATOM 0 H GLY A 34 -0.830 -13.021 4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.424 -12.464 2.188 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.302 -13.760 3.118 1.00 0.00 H new ATOM 518 N GLU A 35 -2.451 -14.921 2.779 1.00 0.00 N ATOM 519 CA GLU A 35 -3.338 -15.904 2.167 1.00 0.00 C ATOM 520 C GLU A 35 -4.104 -15.280 0.999 1.00 0.00 C ATOM 521 O GLU A 35 -4.452 -14.101 1.043 1.00 0.00 O ATOM 522 CB GLU A 35 -4.312 -16.454 3.217 1.00 0.00 C ATOM 523 CG GLU A 35 -5.655 -16.895 2.655 1.00 0.00 C ATOM 524 CD GLU A 35 -6.640 -17.296 3.735 1.00 0.00 C ATOM 525 OE1 GLU A 35 -6.200 -17.852 4.763 1.00 0.00 O ATOM 526 OE2 GLU A 35 -7.852 -17.056 3.553 1.00 0.00 O ATOM 0 H GLU A 35 -2.636 -14.745 3.766 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.738 -16.727 1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.846 -17.301 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.482 -15.689 3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.081 -16.084 2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.502 -17.736 1.978 1.00 0.00 H new ATOM 533 N PRO A 36 -4.364 -16.061 -0.069 1.00 0.00 N ATOM 534 CA PRO A 36 -5.089 -15.573 -1.249 1.00 0.00 C ATOM 535 C PRO A 36 -6.431 -14.942 -0.885 1.00 0.00 C ATOM 536 O PRO A 36 -7.453 -15.625 -0.812 1.00 0.00 O ATOM 537 CB PRO A 36 -5.299 -16.832 -2.104 1.00 0.00 C ATOM 538 CG PRO A 36 -4.992 -17.982 -1.203 1.00 0.00 C ATOM 539 CD PRO A 36 -3.985 -17.474 -0.214 1.00 0.00 C ATOM 0 HA PRO A 36 -4.535 -14.789 -1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.322 -16.887 -2.476 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.643 -16.829 -2.974 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.892 -18.333 -0.698 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.594 -18.825 -1.768 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.042 -18.009 0.734 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.965 -17.585 -0.581 1.00 0.00 H new ATOM 547 N CYS A 37 -6.416 -13.631 -0.664 1.00 0.00 N ATOM 548 CA CYS A 37 -7.624 -12.894 -0.312 1.00 0.00 C ATOM 549 C CYS A 37 -8.340 -12.404 -1.573 1.00 0.00 C ATOM 550 O CYS A 37 -7.773 -12.447 -2.664 1.00 0.00 O ATOM 551 CB CYS A 37 -7.262 -11.709 0.592 1.00 0.00 C ATOM 552 SG CYS A 37 -7.164 -10.120 -0.267 1.00 0.00 S ATOM 0 H CYS A 37 -5.576 -13.055 -0.723 1.00 0.00 H new ATOM 0 HA CYS A 37 -8.299 -13.559 0.227 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.004 -11.634 1.387 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.303 -11.911 1.069 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.855 -9.186 0.583 1.00 0.00 H new ATOM 558 N PRO A 38 -9.603 -11.943 -1.448 1.00 0.00 N ATOM 559 CA PRO A 38 -10.380 -11.455 -2.596 1.00 0.00 C ATOM 560 C PRO A 38 -9.598 -10.465 -3.457 1.00 0.00 C ATOM 561 O PRO A 38 -9.424 -10.678 -4.657 1.00 0.00 O ATOM 562 CB PRO A 38 -11.577 -10.766 -1.942 1.00 0.00 C ATOM 563 CG PRO A 38 -11.756 -11.473 -0.645 1.00 0.00 C ATOM 564 CD PRO A 38 -10.375 -11.866 -0.190 1.00 0.00 C ATOM 0 HA PRO A 38 -10.651 -12.263 -3.276 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.389 -9.703 -1.791 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.469 -10.847 -2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.239 -10.827 0.088 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.392 -12.350 -0.764 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.954 -11.130 0.494 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.383 -12.821 0.335 1.00 0.00 H new ATOM 572 N TYR A 39 -9.131 -9.383 -2.840 1.00 0.00 N ATOM 573 CA TYR A 39 -8.369 -8.363 -3.555 1.00 0.00 C ATOM 574 C TYR A 39 -6.991 -8.164 -2.922 1.00 0.00 C ATOM 575 O TYR A 39 -6.760 -7.184 -2.212 1.00 0.00 O ATOM 576 CB TYR A 39 -9.137 -7.040 -3.570 1.00 0.00 C ATOM 577 CG TYR A 39 -10.359 -7.058 -4.461 1.00 0.00 C ATOM 578 CD1 TYR A 39 -10.233 -7.055 -5.845 1.00 0.00 C ATOM 579 CD2 TYR A 39 -11.638 -7.082 -3.918 1.00 0.00 C ATOM 580 CE1 TYR A 39 -11.348 -7.074 -6.661 1.00 0.00 C ATOM 581 CE2 TYR A 39 -12.756 -7.100 -4.728 1.00 0.00 C ATOM 582 CZ TYR A 39 -12.606 -7.097 -6.099 1.00 0.00 C ATOM 583 OH TYR A 39 -13.718 -7.115 -6.910 1.00 0.00 O ATOM 0 H TYR A 39 -9.267 -9.190 -1.848 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.228 -8.703 -4.581 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -9.443 -6.796 -2.553 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -8.468 -6.245 -3.901 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -9.249 -7.038 -6.289 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -11.759 -7.087 -2.845 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -11.234 -7.071 -7.735 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -13.743 -7.116 -4.290 1.00 0.00 H new ATOM 0 HH TYR A 39 -14.526 -7.131 -6.356 1.00 0.00 H new ATOM 593 N PRO A 40 -6.054 -9.095 -3.178 1.00 0.00 N ATOM 594 CA PRO A 40 -4.702 -9.036 -2.632 1.00 0.00 C ATOM 595 C PRO A 40 -3.726 -8.328 -3.571 1.00 0.00 C ATOM 596 O PRO A 40 -4.013 -7.241 -4.071 1.00 0.00 O ATOM 597 CB PRO A 40 -4.357 -10.517 -2.499 1.00 0.00 C ATOM 598 CG PRO A 40 -5.052 -11.170 -3.652 1.00 0.00 C ATOM 599 CD PRO A 40 -6.239 -10.300 -4.004 1.00 0.00 C ATOM 0 HA PRO A 40 -4.638 -8.471 -1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.280 -10.679 -2.542 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.702 -10.921 -1.547 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.379 -11.266 -4.504 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.377 -12.176 -3.387 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.255 -10.057 -5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.181 -10.799 -3.777 1.00 0.00 H new ATOM 607 N ALA A 41 -2.589 -8.973 -3.839 1.00 0.00 N ATOM 608 CA ALA A 41 -1.573 -8.413 -4.728 1.00 0.00 C ATOM 609 C ALA A 41 -2.129 -8.121 -6.117 1.00 0.00 C ATOM 610 O ALA A 41 -1.419 -7.595 -6.973 1.00 0.00 O ATOM 611 CB ALA A 41 -0.388 -9.355 -4.840 1.00 0.00 C ATOM 0 H ALA A 41 -2.350 -9.886 -3.451 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.248 -7.469 -4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.359 -8.923 -5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.050 -9.508 -3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.721 -10.312 -5.241 1.00 0.00 H new ATOM 617 N VAL A 42 -3.389 -8.483 -6.349 1.00 0.00 N ATOM 618 CA VAL A 42 -4.026 -8.225 -7.634 1.00 0.00 C ATOM 619 C VAL A 42 -3.832 -6.766 -8.029 1.00 0.00 C ATOM 620 O VAL A 42 -3.805 -6.423 -9.210 1.00 0.00 O ATOM 621 CB VAL A 42 -5.532 -8.562 -7.596 1.00 0.00 C ATOM 622 CG1 VAL A 42 -6.330 -7.440 -6.947 1.00 0.00 C ATOM 623 CG2 VAL A 42 -6.047 -8.853 -8.998 1.00 0.00 C ATOM 0 H VAL A 42 -3.984 -8.953 -5.667 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.555 -8.869 -8.376 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.664 -9.457 -6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.387 -7.706 -6.934 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.981 -7.289 -5.925 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.194 -6.520 -7.516 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.110 -9.089 -8.953 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.896 -7.978 -9.630 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.505 -9.701 -9.416 1.00 0.00 H new ATOM 633 N ALA A 43 -3.696 -5.914 -7.016 1.00 0.00 N ATOM 634 CA ALA A 43 -3.457 -4.494 -7.234 1.00 0.00 C ATOM 635 C ALA A 43 -2.028 -4.259 -7.708 1.00 0.00 C ATOM 636 O ALA A 43 -1.782 -3.439 -8.590 1.00 0.00 O ATOM 637 CB ALA A 43 -3.736 -3.710 -5.961 1.00 0.00 C ATOM 0 H ALA A 43 -3.748 -6.186 -6.034 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.136 -4.143 -8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.553 -2.650 -6.139 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.775 -3.854 -5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.080 -4.063 -5.165 1.00 0.00 H new ATOM 643 N THR A 44 -1.090 -4.992 -7.111 1.00 0.00 N ATOM 644 CA THR A 44 0.321 -4.884 -7.465 1.00 0.00 C ATOM 645 C THR A 44 0.534 -5.140 -8.954 1.00 0.00 C ATOM 646 O THR A 44 1.132 -4.326 -9.658 1.00 0.00 O ATOM 647 CB THR A 44 1.148 -5.877 -6.648 1.00 0.00 C ATOM 648 OG1 THR A 44 0.506 -6.169 -5.420 1.00 0.00 O ATOM 649 CG2 THR A 44 2.542 -5.382 -6.332 1.00 0.00 C ATOM 0 H THR A 44 -1.285 -5.671 -6.375 1.00 0.00 H new ATOM 0 HA THR A 44 0.648 -3.869 -7.239 1.00 0.00 H new ATOM 0 HB THR A 44 1.232 -6.766 -7.273 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.679 -5.447 -4.780 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.073 -6.136 -5.751 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.081 -5.194 -7.261 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.478 -4.458 -5.757 1.00 0.00 H new ATOM 657 N LEU A 45 0.044 -6.284 -9.424 1.00 0.00 N ATOM 658 CA LEU A 45 0.188 -6.657 -10.826 1.00 0.00 C ATOM 659 C LEU A 45 -0.502 -5.648 -11.737 1.00 0.00 C ATOM 660 O LEU A 45 0.088 -5.173 -12.708 1.00 0.00 O ATOM 661 CB LEU A 45 -0.389 -8.055 -11.064 1.00 0.00 C ATOM 662 CG LEU A 45 0.578 -9.210 -10.789 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.138 -10.545 -10.922 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.772 -9.146 -11.731 1.00 0.00 C ATOM 0 H LEU A 45 -0.455 -6.967 -8.855 1.00 0.00 H new ATOM 0 HA LEU A 45 1.251 -6.662 -11.065 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.269 -8.180 -10.434 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.726 -8.121 -12.099 1.00 0.00 H new ATOM 0 HG LEU A 45 0.945 -9.116 -9.767 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.563 -11.355 -10.723 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.958 -10.591 -10.205 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.533 -10.647 -11.933 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.447 -9.975 -11.519 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.426 -9.214 -12.762 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.299 -8.203 -11.587 1.00 0.00 H new ATOM 676 N GLU A 46 -1.752 -5.323 -11.421 1.00 0.00 N ATOM 677 CA GLU A 46 -2.513 -4.365 -12.215 1.00 0.00 C ATOM 678 C GLU A 46 -1.887 -2.976 -12.128 1.00 0.00 C ATOM 679 O GLU A 46 -2.158 -2.106 -12.957 1.00 0.00 O ATOM 680 CB GLU A 46 -3.973 -4.322 -11.751 1.00 0.00 C ATOM 681 CG GLU A 46 -4.192 -3.523 -10.477 1.00 0.00 C ATOM 682 CD GLU A 46 -5.638 -3.110 -10.288 1.00 0.00 C ATOM 683 OE1 GLU A 46 -6.196 -2.468 -11.203 1.00 0.00 O ATOM 684 OE2 GLU A 46 -6.214 -3.427 -9.226 1.00 0.00 O ATOM 0 H GLU A 46 -2.258 -5.708 -10.623 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.489 -4.689 -13.255 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.584 -3.894 -12.546 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.324 -5.342 -11.593 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.873 -4.117 -9.621 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.564 -2.633 -10.499 1.00 0.00 H new ATOM 691 N ALA A 47 -1.054 -2.775 -11.113 1.00 0.00 N ATOM 692 CA ALA A 47 -0.369 -1.502 -10.922 1.00 0.00 C ATOM 693 C ALA A 47 0.736 -1.317 -11.956 1.00 0.00 C ATOM 694 O ALA A 47 1.072 -0.191 -12.323 1.00 0.00 O ATOM 695 CB ALA A 47 0.202 -1.412 -9.516 1.00 0.00 C ATOM 0 H ALA A 47 -0.836 -3.479 -10.408 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.097 -0.702 -11.056 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.710 -0.456 -9.390 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.606 -1.492 -8.789 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.912 -2.224 -9.359 1.00 0.00 H new ATOM 701 N MET A 48 1.306 -2.432 -12.412 1.00 0.00 N ATOM 702 CA MET A 48 2.389 -2.396 -13.392 1.00 0.00 C ATOM 703 C MET A 48 2.023 -1.529 -14.599 1.00 0.00 C ATOM 704 O MET A 48 2.754 -0.599 -14.933 1.00 0.00 O ATOM 705 CB MET A 48 2.758 -3.814 -13.843 1.00 0.00 C ATOM 706 CG MET A 48 3.884 -4.435 -13.033 1.00 0.00 C ATOM 707 SD MET A 48 5.391 -4.657 -13.998 1.00 0.00 S ATOM 708 CE MET A 48 5.822 -2.955 -14.352 1.00 0.00 C ATOM 0 H MET A 48 1.035 -3.371 -12.118 1.00 0.00 H new ATOM 0 HA MET A 48 3.257 -1.947 -12.909 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.876 -4.450 -13.771 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.048 -3.789 -14.893 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.098 -3.803 -12.171 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.559 -5.401 -12.646 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.773 -2.924 -14.883 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.046 -2.504 -14.970 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.910 -2.400 -13.418 1.00 0.00 H new ATOM 718 N PRO A 49 0.885 -1.803 -15.272 1.00 0.00 N ATOM 719 CA PRO A 49 0.453 -1.001 -16.421 1.00 0.00 C ATOM 720 C PRO A 49 0.011 0.396 -15.996 1.00 0.00 C ATOM 721 O PRO A 49 0.255 1.379 -16.696 1.00 0.00 O ATOM 722 CB PRO A 49 -0.726 -1.790 -16.991 1.00 0.00 C ATOM 723 CG PRO A 49 -1.260 -2.562 -15.835 1.00 0.00 C ATOM 724 CD PRO A 49 -0.075 -2.882 -14.964 1.00 0.00 C ATOM 0 HA PRO A 49 1.255 -0.847 -17.143 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.483 -1.125 -17.407 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.407 -2.452 -17.796 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.001 -1.980 -15.287 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.755 -3.474 -16.170 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.344 -2.889 -13.908 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.338 -3.864 -15.194 1.00 0.00 H new ATOM 732 N GLN A 50 -0.636 0.471 -14.835 1.00 0.00 N ATOM 733 CA GLN A 50 -1.105 1.742 -14.293 1.00 0.00 C ATOM 734 C GLN A 50 0.057 2.585 -13.770 1.00 0.00 C ATOM 735 O GLN A 50 -0.154 3.641 -13.174 1.00 0.00 O ATOM 736 CB GLN A 50 -2.113 1.495 -13.168 1.00 0.00 C ATOM 737 CG GLN A 50 -3.553 1.771 -13.567 1.00 0.00 C ATOM 738 CD GLN A 50 -4.298 2.595 -12.535 1.00 0.00 C ATOM 739 OE1 GLN A 50 -4.508 2.152 -11.406 1.00 0.00 O ATOM 740 NE2 GLN A 50 -4.699 3.801 -12.918 1.00 0.00 N ATOM 0 H GLN A 50 -0.848 -0.338 -14.250 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.589 2.292 -15.100 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.029 0.460 -12.838 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.854 2.124 -12.316 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.567 2.294 -14.523 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.073 0.824 -13.714 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.503 4.127 -13.864 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.203 4.402 -12.266 1.00 0.00 H new ATOM 749 N LEU A 51 1.282 2.107 -13.990 1.00 0.00 N ATOM 750 CA LEU A 51 2.478 2.803 -13.531 1.00 0.00 C ATOM 751 C LEU A 51 2.450 4.283 -13.905 1.00 0.00 C ATOM 752 O LEU A 51 1.709 4.697 -14.797 1.00 0.00 O ATOM 753 CB LEU A 51 3.725 2.141 -14.124 1.00 0.00 C ATOM 754 CG LEU A 51 4.184 2.699 -15.474 1.00 0.00 C ATOM 755 CD1 LEU A 51 5.594 3.260 -15.367 1.00 0.00 C ATOM 756 CD2 LEU A 51 4.117 1.624 -16.548 1.00 0.00 C ATOM 0 H LEU A 51 1.469 1.236 -14.486 1.00 0.00 H new ATOM 0 HA LEU A 51 2.506 2.734 -12.444 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.543 2.242 -13.411 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.531 1.075 -14.238 1.00 0.00 H new ATOM 0 HG LEU A 51 3.512 3.509 -15.758 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.904 3.652 -16.336 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.612 4.061 -14.628 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.278 2.469 -15.060 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.447 2.040 -17.500 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.765 0.792 -16.271 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.091 1.269 -16.643 1.00 0.00 H new ATOM 768 N LYS A 52 3.280 5.069 -13.228 1.00 0.00 N ATOM 769 CA LYS A 52 3.363 6.501 -13.489 1.00 0.00 C ATOM 770 C LYS A 52 4.818 6.942 -13.639 1.00 0.00 C ATOM 771 O LYS A 52 5.396 6.841 -14.722 1.00 0.00 O ATOM 772 CB LYS A 52 2.684 7.284 -12.362 1.00 0.00 C ATOM 773 CG LYS A 52 1.166 7.248 -12.424 1.00 0.00 C ATOM 774 CD LYS A 52 0.619 8.337 -13.332 1.00 0.00 C ATOM 775 CE LYS A 52 0.202 9.564 -12.540 1.00 0.00 C ATOM 776 NZ LYS A 52 0.068 10.767 -13.406 1.00 0.00 N ATOM 0 H LYS A 52 3.906 4.738 -12.494 1.00 0.00 H new ATOM 0 HA LYS A 52 2.845 6.710 -14.425 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.010 6.880 -11.403 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.016 8.321 -12.400 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.839 6.273 -12.786 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.757 7.370 -11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.376 8.616 -14.065 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.237 7.953 -13.888 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.747 9.368 -12.042 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.938 9.759 -11.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.218 11.582 -12.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.980 10.970 -13.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.652 10.591 -14.135 1.00 0.00 H new ATOM 790 N LYS A 53 5.405 7.431 -12.551 1.00 0.00 N ATOM 791 CA LYS A 53 6.794 7.880 -12.565 1.00 0.00 C ATOM 792 C LYS A 53 7.506 7.479 -11.277 1.00 0.00 C ATOM 793 O LYS A 53 8.733 7.519 -11.196 1.00 0.00 O ATOM 794 CB LYS A 53 6.865 9.399 -12.753 1.00 0.00 C ATOM 795 CG LYS A 53 5.538 10.110 -12.539 1.00 0.00 C ATOM 796 CD LYS A 53 5.487 11.435 -13.282 1.00 0.00 C ATOM 797 CE LYS A 53 4.174 11.608 -14.029 1.00 0.00 C ATOM 798 NZ LYS A 53 4.351 11.480 -15.502 1.00 0.00 N ATOM 0 H LYS A 53 4.941 7.527 -11.648 1.00 0.00 H new ATOM 0 HA LYS A 53 7.297 7.397 -13.403 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.600 9.807 -12.059 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.223 9.614 -13.760 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.723 9.470 -12.878 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.385 10.283 -11.474 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.614 12.254 -12.575 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.317 11.490 -13.986 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.459 10.862 -13.683 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.751 12.586 -13.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.433 11.604 -15.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.014 12.208 -15.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.730 10.538 -15.725 1.00 0.00 H new ATOM 812 N GLY A 54 6.723 7.093 -10.274 1.00 0.00 N ATOM 813 CA GLY A 54 7.288 6.690 -8.999 1.00 0.00 C ATOM 814 C GLY A 54 6.219 6.316 -7.992 1.00 0.00 C ATOM 815 O GLY A 54 5.707 7.175 -7.273 1.00 0.00 O ATOM 0 H GLY A 54 5.705 7.052 -10.322 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.955 5.841 -9.151 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.894 7.503 -8.599 1.00 0.00 H new ATOM 819 N GLU A 55 5.875 5.033 -7.946 1.00 0.00 N ATOM 820 CA GLU A 55 4.848 4.551 -7.029 1.00 0.00 C ATOM 821 C GLU A 55 5.463 3.928 -5.782 1.00 0.00 C ATOM 822 O GLU A 55 6.680 3.941 -5.605 1.00 0.00 O ATOM 823 CB GLU A 55 3.944 3.532 -7.723 1.00 0.00 C ATOM 824 CG GLU A 55 4.662 2.669 -8.746 1.00 0.00 C ATOM 825 CD GLU A 55 4.105 2.837 -10.147 1.00 0.00 C ATOM 826 OE1 GLU A 55 2.946 3.285 -10.276 1.00 0.00 O ATOM 827 OE2 GLU A 55 4.828 2.520 -11.115 1.00 0.00 O ATOM 0 H GLU A 55 6.291 4.309 -8.532 1.00 0.00 H new ATOM 0 HA GLU A 55 4.252 5.411 -6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.495 2.886 -6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.129 4.061 -8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.722 2.921 -8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.584 1.622 -8.451 1.00 0.00 H new ATOM 834 N ILE A 56 4.604 3.398 -4.918 1.00 0.00 N ATOM 835 CA ILE A 56 5.036 2.769 -3.674 1.00 0.00 C ATOM 836 C ILE A 56 3.946 1.833 -3.149 1.00 0.00 C ATOM 837 O ILE A 56 2.768 2.003 -3.456 1.00 0.00 O ATOM 838 CB ILE A 56 5.385 3.834 -2.601 1.00 0.00 C ATOM 839 CG1 ILE A 56 6.864 4.217 -2.694 1.00 0.00 C ATOM 840 CG2 ILE A 56 5.062 3.337 -1.197 1.00 0.00 C ATOM 841 CD1 ILE A 56 7.244 5.393 -1.819 1.00 0.00 C ATOM 0 H ILE A 56 3.594 3.392 -5.058 1.00 0.00 H new ATOM 0 HA ILE A 56 5.935 2.189 -3.883 1.00 0.00 H new ATOM 0 HB ILE A 56 4.773 4.715 -2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.471 3.356 -2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.104 4.454 -3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.319 4.108 -0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.998 3.112 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.638 2.435 -0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.306 5.606 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.663 6.268 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.036 5.153 -0.776 1.00 0.00 H new ATOM 853 N LEU A 57 4.339 0.834 -2.372 1.00 0.00 N ATOM 854 CA LEU A 57 3.378 -0.101 -1.807 1.00 0.00 C ATOM 855 C LEU A 57 3.684 -0.389 -0.363 1.00 0.00 C ATOM 856 O LEU A 57 4.830 -0.290 0.077 1.00 0.00 O ATOM 857 CB LEU A 57 3.393 -1.416 -2.568 1.00 0.00 C ATOM 858 CG LEU A 57 2.021 -2.026 -2.849 1.00 0.00 C ATOM 859 CD1 LEU A 57 1.418 -1.415 -4.102 1.00 0.00 C ATOM 860 CD2 LEU A 57 2.128 -3.537 -2.987 1.00 0.00 C ATOM 0 H LEU A 57 5.310 0.651 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 57 2.396 0.365 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.904 -1.261 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.983 -2.137 -2.002 1.00 0.00 H new ATOM 0 HG LEU A 57 1.364 -1.806 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.441 -1.860 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.307 -0.339 -3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.073 -1.607 -4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.141 -3.955 -3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.799 -3.781 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.521 -3.960 -2.062 1.00 0.00 H new ATOM 872 N GLU A 58 2.662 -0.800 0.362 1.00 0.00 N ATOM 873 CA GLU A 58 2.840 -1.186 1.737 1.00 0.00 C ATOM 874 C GLU A 58 1.990 -2.410 2.050 1.00 0.00 C ATOM 875 O GLU A 58 0.766 -2.362 1.965 1.00 0.00 O ATOM 876 CB GLU A 58 2.487 -0.032 2.682 1.00 0.00 C ATOM 877 CG GLU A 58 2.833 1.344 2.132 1.00 0.00 C ATOM 878 CD GLU A 58 2.157 2.465 2.897 1.00 0.00 C ATOM 879 OE1 GLU A 58 0.950 2.696 2.668 1.00 0.00 O ATOM 880 OE2 GLU A 58 2.833 3.113 3.723 1.00 0.00 O ATOM 0 H GLU A 58 1.705 -0.873 0.018 1.00 0.00 H new ATOM 0 HA GLU A 58 3.890 -1.436 1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.420 -0.067 2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.010 -0.177 3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.913 1.484 2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.540 1.396 1.084 1.00 0.00 H new ATOM 887 N VAL A 59 2.651 -3.509 2.388 1.00 0.00 N ATOM 888 CA VAL A 59 1.962 -4.763 2.660 1.00 0.00 C ATOM 889 C VAL A 59 2.190 -5.230 4.092 1.00 0.00 C ATOM 890 O VAL A 59 3.301 -5.600 4.468 1.00 0.00 O ATOM 891 CB VAL A 59 2.426 -5.873 1.700 1.00 0.00 C ATOM 892 CG1 VAL A 59 1.659 -7.160 1.960 1.00 0.00 C ATOM 893 CG2 VAL A 59 2.265 -5.430 0.254 1.00 0.00 C ATOM 0 H VAL A 59 3.666 -3.557 2.480 1.00 0.00 H new ATOM 0 HA VAL A 59 0.899 -4.571 2.511 1.00 0.00 H new ATOM 0 HB VAL A 59 3.483 -6.066 1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.001 -7.933 1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.832 -7.486 2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.594 -6.985 1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.598 -6.228 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.216 -5.207 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.865 -4.537 0.078 1.00 0.00 H new ATOM 903 N VAL A 60 1.123 -5.237 4.876 1.00 0.00 N ATOM 904 CA VAL A 60 1.190 -5.705 6.252 1.00 0.00 C ATOM 905 C VAL A 60 0.269 -6.906 6.435 1.00 0.00 C ATOM 906 O VAL A 60 -0.928 -6.759 6.680 1.00 0.00 O ATOM 907 CB VAL A 60 0.812 -4.596 7.252 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.742 -5.145 8.670 1.00 0.00 C ATOM 909 CG2 VAL A 60 1.811 -3.453 7.166 1.00 0.00 C ATOM 0 H VAL A 60 0.198 -4.923 4.582 1.00 0.00 H new ATOM 0 HA VAL A 60 2.220 -5.997 6.455 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.176 -4.217 6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.473 -4.343 9.358 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.010 -5.932 8.719 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.713 -5.553 8.950 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.535 -2.674 7.877 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.809 -3.823 7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.807 -3.041 6.157 1.00 0.00 H new ATOM 919 N SER A 61 0.826 -8.093 6.255 1.00 0.00 N ATOM 920 CA SER A 61 0.046 -9.313 6.359 1.00 0.00 C ATOM 921 C SER A 61 0.754 -10.352 7.215 1.00 0.00 C ATOM 922 O SER A 61 1.936 -10.217 7.527 1.00 0.00 O ATOM 923 CB SER A 61 -0.222 -9.883 4.965 1.00 0.00 C ATOM 924 OG SER A 61 0.984 -10.044 4.239 1.00 0.00 O ATOM 0 H SER A 61 1.812 -8.236 6.037 1.00 0.00 H new ATOM 0 HA SER A 61 -0.901 -9.067 6.840 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.728 -10.844 5.053 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.892 -9.219 4.420 1.00 0.00 H new ATOM 0 HG SER A 61 0.786 -10.411 3.352 1.00 0.00 H new ATOM 930 N ASP A 62 0.024 -11.403 7.562 1.00 0.00 N ATOM 931 CA ASP A 62 0.577 -12.484 8.369 1.00 0.00 C ATOM 932 C ASP A 62 0.553 -13.794 7.589 1.00 0.00 C ATOM 933 O ASP A 62 -0.510 -14.265 7.183 1.00 0.00 O ATOM 934 CB ASP A 62 -0.210 -12.636 9.673 1.00 0.00 C ATOM 935 CG ASP A 62 -1.425 -11.732 9.728 1.00 0.00 C ATOM 936 OD1 ASP A 62 -2.422 -12.034 9.040 1.00 0.00 O ATOM 937 OD2 ASP A 62 -1.381 -10.722 10.462 1.00 0.00 O ATOM 0 H ASP A 62 -0.953 -11.531 7.298 1.00 0.00 H new ATOM 0 HA ASP A 62 1.611 -12.237 8.611 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.528 -13.673 9.783 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.444 -12.412 10.516 1.00 0.00 H new ATOM 942 N CYS A 63 1.732 -14.359 7.355 1.00 0.00 N ATOM 943 CA CYS A 63 1.848 -15.605 6.607 1.00 0.00 C ATOM 944 C CYS A 63 2.859 -16.544 7.263 1.00 0.00 C ATOM 945 O CYS A 63 4.031 -16.197 7.412 1.00 0.00 O ATOM 946 CB CYS A 63 2.266 -15.318 5.163 1.00 0.00 C ATOM 947 SG CYS A 63 2.610 -16.799 4.184 1.00 0.00 S ATOM 0 H CYS A 63 2.621 -13.974 7.673 1.00 0.00 H new ATOM 0 HA CYS A 63 0.873 -16.092 6.608 1.00 0.00 H new ATOM 0 HB2 CYS A 63 1.476 -14.748 4.674 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.155 -14.687 5.172 1.00 0.00 H new ATOM 0 HG CYS A 63 2.953 -16.453 2.979 1.00 0.00 H new ATOM 953 N PRO A 64 2.419 -17.752 7.664 1.00 0.00 N ATOM 954 CA PRO A 64 3.297 -18.739 8.305 1.00 0.00 C ATOM 955 C PRO A 64 4.490 -19.104 7.426 1.00 0.00 C ATOM 956 O PRO A 64 5.537 -19.515 7.926 1.00 0.00 O ATOM 957 CB PRO A 64 2.390 -19.958 8.509 1.00 0.00 C ATOM 958 CG PRO A 64 1.002 -19.418 8.473 1.00 0.00 C ATOM 959 CD PRO A 64 1.038 -18.252 7.528 1.00 0.00 C ATOM 0 HA PRO A 64 3.727 -18.358 9.231 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.545 -20.700 7.726 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.598 -20.449 9.460 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.297 -20.176 8.131 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.678 -19.106 9.466 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.819 -18.556 6.505 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.306 -17.491 7.799 1.00 0.00 H new ATOM 967 N GLN A 65 4.323 -18.950 6.116 1.00 0.00 N ATOM 968 CA GLN A 65 5.386 -19.261 5.168 1.00 0.00 C ATOM 969 C GLN A 65 6.292 -18.054 4.951 1.00 0.00 C ATOM 970 O GLN A 65 5.936 -16.927 5.294 1.00 0.00 O ATOM 971 CB GLN A 65 4.792 -19.714 3.833 1.00 0.00 C ATOM 972 CG GLN A 65 4.436 -21.192 3.794 1.00 0.00 C ATOM 973 CD GLN A 65 5.642 -22.078 3.549 1.00 0.00 C ATOM 974 OE1 GLN A 65 6.706 -21.603 3.150 1.00 0.00 O ATOM 975 NE2 GLN A 65 5.481 -23.375 3.784 1.00 0.00 N ATOM 0 H GLN A 65 3.461 -18.612 5.687 1.00 0.00 H new ATOM 0 HA GLN A 65 5.984 -20.071 5.585 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.897 -19.128 3.626 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.505 -19.500 3.037 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.969 -21.474 4.738 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.699 -21.363 3.010 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.582 -23.726 4.114 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.257 -24.020 3.635 1.00 0.00 H new ATOM 984 N SER A 66 7.466 -18.300 4.378 1.00 0.00 N ATOM 985 CA SER A 66 8.427 -17.235 4.113 1.00 0.00 C ATOM 986 C SER A 66 8.221 -16.647 2.722 1.00 0.00 C ATOM 987 O SER A 66 8.619 -15.514 2.450 1.00 0.00 O ATOM 988 CB SER A 66 9.853 -17.772 4.239 1.00 0.00 C ATOM 989 OG SER A 66 9.994 -18.585 5.392 1.00 0.00 O ATOM 0 H SER A 66 7.775 -19.228 4.088 1.00 0.00 H new ATOM 0 HA SER A 66 8.270 -16.446 4.849 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.107 -18.350 3.350 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.555 -16.940 4.290 1.00 0.00 H new ATOM 0 HG SER A 66 10.914 -18.917 5.448 1.00 0.00 H new ATOM 995 N ILE A 67 7.604 -17.431 1.845 1.00 0.00 N ATOM 996 CA ILE A 67 7.349 -17.001 0.476 1.00 0.00 C ATOM 997 C ILE A 67 6.535 -15.711 0.441 1.00 0.00 C ATOM 998 O ILE A 67 5.403 -15.664 0.925 1.00 0.00 O ATOM 999 CB ILE A 67 6.605 -18.091 -0.320 1.00 0.00 C ATOM 1000 CG1 ILE A 67 7.360 -19.423 -0.234 1.00 0.00 C ATOM 1001 CG2 ILE A 67 6.425 -17.668 -1.771 1.00 0.00 C ATOM 1002 CD1 ILE A 67 8.752 -19.379 -0.827 1.00 0.00 C ATOM 0 H ILE A 67 7.270 -18.371 2.059 1.00 0.00 H new ATOM 0 HA ILE A 67 8.320 -16.820 0.015 1.00 0.00 H new ATOM 0 HB ILE A 67 5.617 -18.225 0.119 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.431 -19.722 0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.781 -20.191 -0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.898 -18.451 -2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.846 -16.745 -1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.402 -17.504 -2.226 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.221 -20.358 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.690 -19.112 -1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.349 -18.636 -0.299 1.00 0.00 H new ATOM 1014 N ASN A 68 7.120 -14.666 -0.135 1.00 0.00 N ATOM 1015 CA ASN A 68 6.451 -13.373 -0.243 1.00 0.00 C ATOM 1016 C ASN A 68 5.331 -13.433 -1.276 1.00 0.00 C ATOM 1017 O ASN A 68 5.574 -13.698 -2.452 1.00 0.00 O ATOM 1018 CB ASN A 68 7.453 -12.280 -0.622 1.00 0.00 C ATOM 1019 CG ASN A 68 8.724 -12.838 -1.231 1.00 0.00 C ATOM 1020 OD1 ASN A 68 9.817 -12.657 -0.693 1.00 0.00 O ATOM 1021 ND2 ASN A 68 8.589 -13.521 -2.362 1.00 0.00 N ATOM 0 H ASN A 68 8.058 -14.689 -0.535 1.00 0.00 H new ATOM 0 HA ASN A 68 6.019 -13.132 0.728 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.986 -11.594 -1.329 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.705 -11.700 0.266 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.410 -13.919 -2.818 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.665 -13.648 -2.774 1.00 0.00 H new ATOM 1028 N ASN A 69 4.101 -13.202 -0.825 1.00 0.00 N ATOM 1029 CA ASN A 69 2.939 -13.252 -1.706 1.00 0.00 C ATOM 1030 C ASN A 69 2.887 -12.049 -2.644 1.00 0.00 C ATOM 1031 O ASN A 69 3.169 -12.170 -3.838 1.00 0.00 O ATOM 1032 CB ASN A 69 1.654 -13.321 -0.878 1.00 0.00 C ATOM 1033 CG ASN A 69 1.218 -14.748 -0.608 1.00 0.00 C ATOM 1034 OD1 ASN A 69 0.361 -15.289 -1.306 1.00 0.00 O ATOM 1035 ND2 ASN A 69 1.811 -15.365 0.407 1.00 0.00 N ATOM 0 H ASN A 69 3.884 -12.978 0.146 1.00 0.00 H new ATOM 0 HA ASN A 69 3.028 -14.149 -2.318 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.807 -12.805 0.070 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.858 -12.793 -1.403 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.561 -16.327 0.635 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.517 -14.877 0.959 1.00 0.00 H new ATOM 1042 N ILE A 70 2.497 -10.897 -2.102 1.00 0.00 N ATOM 1043 CA ILE A 70 2.366 -9.678 -2.899 1.00 0.00 C ATOM 1044 C ILE A 70 3.603 -9.425 -3.771 1.00 0.00 C ATOM 1045 O ILE A 70 3.477 -9.229 -4.981 1.00 0.00 O ATOM 1046 CB ILE A 70 2.087 -8.436 -2.020 1.00 0.00 C ATOM 1047 CG1 ILE A 70 1.120 -8.778 -0.879 1.00 0.00 C ATOM 1048 CG2 ILE A 70 1.527 -7.300 -2.867 1.00 0.00 C ATOM 1049 CD1 ILE A 70 -0.167 -9.431 -1.339 1.00 0.00 C ATOM 0 H ILE A 70 2.266 -10.782 -1.115 1.00 0.00 H new ATOM 0 HA ILE A 70 1.508 -9.839 -3.552 1.00 0.00 H new ATOM 0 HB ILE A 70 3.031 -8.113 -1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.623 -9.443 -0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.878 -7.865 -0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.336 -6.434 -2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.248 -7.033 -3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.596 -7.620 -3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.797 -9.642 -0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.694 -8.759 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.062 -10.362 -1.857 1.00 0.00 H new ATOM 1061 N PRO A 71 4.820 -9.442 -3.186 1.00 0.00 N ATOM 1062 CA PRO A 71 6.057 -9.202 -3.943 1.00 0.00 C ATOM 1063 C PRO A 71 6.238 -10.173 -5.105 1.00 0.00 C ATOM 1064 O PRO A 71 6.743 -9.798 -6.160 1.00 0.00 O ATOM 1065 CB PRO A 71 7.163 -9.406 -2.905 1.00 0.00 C ATOM 1066 CG PRO A 71 6.501 -9.150 -1.599 1.00 0.00 C ATOM 1067 CD PRO A 71 5.095 -9.657 -1.752 1.00 0.00 C ATOM 0 HA PRO A 71 6.057 -8.213 -4.400 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.570 -10.416 -2.952 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.994 -8.720 -3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.018 -9.666 -0.790 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.510 -8.087 -1.357 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.013 -10.709 -1.478 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.397 -9.108 -1.120 1.00 0.00 H new ATOM 1075 N LEU A 72 5.839 -11.426 -4.901 1.00 0.00 N ATOM 1076 CA LEU A 72 5.968 -12.446 -5.938 1.00 0.00 C ATOM 1077 C LEU A 72 5.241 -12.023 -7.210 1.00 0.00 C ATOM 1078 O LEU A 72 5.667 -12.346 -8.319 1.00 0.00 O ATOM 1079 CB LEU A 72 5.412 -13.782 -5.445 1.00 0.00 C ATOM 1080 CG LEU A 72 5.742 -14.987 -6.329 1.00 0.00 C ATOM 1081 CD1 LEU A 72 6.506 -16.035 -5.536 1.00 0.00 C ATOM 1082 CD2 LEU A 72 4.471 -15.581 -6.917 1.00 0.00 C ATOM 0 H LEU A 72 5.425 -11.759 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 72 7.028 -12.562 -6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.796 -13.970 -4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.328 -13.698 -5.361 1.00 0.00 H new ATOM 0 HG LEU A 72 6.374 -14.650 -7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.732 -16.885 -6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.435 -15.604 -5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.899 -16.369 -4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.725 -16.437 -7.543 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.813 -15.904 -6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.963 -14.829 -7.520 1.00 0.00 H new ATOM 1094 N ASP A 73 4.139 -11.301 -7.038 1.00 0.00 N ATOM 1095 CA ASP A 73 3.345 -10.834 -8.169 1.00 0.00 C ATOM 1096 C ASP A 73 4.115 -9.806 -8.991 1.00 0.00 C ATOM 1097 O ASP A 73 4.343 -9.999 -10.186 1.00 0.00 O ATOM 1098 CB ASP A 73 2.029 -10.230 -7.676 1.00 0.00 C ATOM 1099 CG ASP A 73 0.975 -11.286 -7.403 1.00 0.00 C ATOM 1100 OD1 ASP A 73 1.337 -12.369 -6.896 1.00 0.00 O ATOM 1101 OD2 ASP A 73 -0.211 -11.031 -7.696 1.00 0.00 O ATOM 0 H ASP A 73 3.775 -11.026 -6.126 1.00 0.00 H new ATOM 0 HA ASP A 73 3.129 -11.690 -8.808 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.213 -9.660 -6.765 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.653 -9.529 -8.421 1.00 0.00 H new ATOM 1106 N ALA A 74 4.512 -8.714 -8.345 1.00 0.00 N ATOM 1107 CA ALA A 74 5.254 -7.654 -9.018 1.00 0.00 C ATOM 1108 C ALA A 74 6.580 -8.171 -9.566 1.00 0.00 C ATOM 1109 O ALA A 74 7.035 -7.742 -10.625 1.00 0.00 O ATOM 1110 CB ALA A 74 5.489 -6.490 -8.069 1.00 0.00 C ATOM 0 H ALA A 74 4.332 -8.540 -7.356 1.00 0.00 H new ATOM 0 HA ALA A 74 4.656 -7.306 -9.861 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.044 -5.706 -8.585 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.530 -6.095 -7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.062 -6.833 -7.207 1.00 0.00 H new ATOM 1116 N ARG A 75 7.191 -9.100 -8.838 1.00 0.00 N ATOM 1117 CA ARG A 75 8.462 -9.683 -9.253 1.00 0.00 C ATOM 1118 C ARG A 75 8.294 -10.494 -10.533 1.00 0.00 C ATOM 1119 O ARG A 75 9.184 -10.516 -11.385 1.00 0.00 O ATOM 1120 CB ARG A 75 9.024 -10.573 -8.141 1.00 0.00 C ATOM 1121 CG ARG A 75 10.255 -11.364 -8.559 1.00 0.00 C ATOM 1122 CD ARG A 75 10.869 -12.108 -7.384 1.00 0.00 C ATOM 1123 NE ARG A 75 11.587 -13.305 -7.811 1.00 0.00 N ATOM 1124 CZ ARG A 75 12.507 -13.919 -7.073 1.00 0.00 C ATOM 1125 NH1 ARG A 75 12.821 -13.450 -5.873 1.00 0.00 N ATOM 1126 NH2 ARG A 75 13.114 -15.004 -7.534 1.00 0.00 N ATOM 0 H ARG A 75 6.827 -9.465 -7.958 1.00 0.00 H new ATOM 0 HA ARG A 75 9.162 -8.870 -9.448 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.276 -9.951 -7.282 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.249 -11.267 -7.816 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.983 -12.076 -9.339 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.994 -10.688 -8.988 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.552 -11.446 -6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.084 -12.387 -6.681 1.00 0.00 H new ATOM 0 HE ARG A 75 11.370 -13.693 -8.729 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.356 -12.616 -5.514 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.527 -13.923 -5.309 1.00 0.00 H new ATOM 0 HH21 ARG A 75 12.875 -15.369 -8.456 1.00 0.00 H new ATOM 0 HH22 ARG A 75 13.820 -15.474 -6.966 1.00 0.00 H new ATOM 1140 N ASN A 76 7.152 -11.163 -10.658 1.00 0.00 N ATOM 1141 CA ASN A 76 6.865 -11.973 -11.836 1.00 0.00 C ATOM 1142 C ASN A 76 6.972 -11.139 -13.108 1.00 0.00 C ATOM 1143 O ASN A 76 7.799 -11.418 -13.976 1.00 0.00 O ATOM 1144 CB ASN A 76 5.468 -12.587 -11.728 1.00 0.00 C ATOM 1145 CG ASN A 76 5.389 -13.960 -12.366 1.00 0.00 C ATOM 1146 OD1 ASN A 76 5.259 -14.971 -11.677 1.00 0.00 O ATOM 1147 ND2 ASN A 76 5.467 -14.002 -13.691 1.00 0.00 N ATOM 0 H ASN A 76 6.410 -11.160 -9.958 1.00 0.00 H new ATOM 0 HA ASN A 76 7.603 -12.774 -11.887 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.187 -12.661 -10.677 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.745 -11.925 -12.206 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.419 -14.898 -14.177 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.575 -13.139 -14.223 1.00 0.00 H new ATOM 1154 N HIS A 77 6.141 -10.105 -13.205 1.00 0.00 N ATOM 1155 CA HIS A 77 6.158 -9.219 -14.362 1.00 0.00 C ATOM 1156 C HIS A 77 7.447 -8.406 -14.394 1.00 0.00 C ATOM 1157 O HIS A 77 8.227 -8.496 -15.341 1.00 0.00 O ATOM 1158 CB HIS A 77 4.947 -8.285 -14.334 1.00 0.00 C ATOM 1159 CG HIS A 77 3.883 -8.652 -15.322 1.00 0.00 C ATOM 1160 ND1 HIS A 77 3.277 -7.701 -16.109 1.00 0.00 N ATOM 1161 CD2 HIS A 77 3.356 -9.868 -15.611 1.00 0.00 C ATOM 1162 CE1 HIS A 77 2.402 -8.352 -16.854 1.00 0.00 C ATOM 1163 NE2 HIS A 77 2.415 -9.666 -16.587 1.00 0.00 N ATOM 0 H HIS A 77 5.449 -9.861 -12.497 1.00 0.00 H new ATOM 0 HA HIS A 77 6.110 -9.830 -15.264 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.518 -8.290 -13.332 1.00 0.00 H new ATOM 0 HB3 HIS A 77 5.280 -7.266 -14.533 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.625 -10.812 -15.160 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.758 -7.886 -17.585 1.00 0.00 H new ATOM 0 HE2 HIS A 77 1.835 -10.380 -17.027 1.00 0.00 H new ATOM 1171 N GLY A 78 7.671 -7.622 -13.342 1.00 0.00 N ATOM 1172 CA GLY A 78 8.878 -6.823 -13.257 1.00 0.00 C ATOM 1173 C GLY A 78 8.602 -5.361 -12.964 1.00 0.00 C ATOM 1174 O GLY A 78 8.480 -4.550 -13.882 1.00 0.00 O ATOM 0 H GLY A 78 7.037 -7.527 -12.548 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.522 -7.229 -12.476 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.426 -6.902 -14.196 1.00 0.00 H new ATOM 1178 N TYR A 79 8.520 -5.020 -11.680 1.00 0.00 N ATOM 1179 CA TYR A 79 8.283 -3.641 -11.269 1.00 0.00 C ATOM 1180 C TYR A 79 9.607 -2.891 -11.138 1.00 0.00 C ATOM 1181 O TYR A 79 10.583 -3.219 -11.813 1.00 0.00 O ATOM 1182 CB TYR A 79 7.512 -3.599 -9.946 1.00 0.00 C ATOM 1183 CG TYR A 79 6.296 -2.699 -9.981 1.00 0.00 C ATOM 1184 CD1 TYR A 79 6.426 -1.334 -10.203 1.00 0.00 C ATOM 1185 CD2 TYR A 79 5.020 -3.214 -9.787 1.00 0.00 C ATOM 1186 CE1 TYR A 79 5.319 -0.508 -10.234 1.00 0.00 C ATOM 1187 CE2 TYR A 79 3.908 -2.394 -9.817 1.00 0.00 C ATOM 1188 CZ TYR A 79 4.063 -1.042 -10.041 1.00 0.00 C ATOM 1189 OH TYR A 79 2.959 -0.222 -10.072 1.00 0.00 O ATOM 0 H TYR A 79 8.614 -5.680 -10.908 1.00 0.00 H new ATOM 0 HA TYR A 79 7.680 -3.152 -12.034 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.198 -4.610 -9.686 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.182 -3.260 -9.156 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.408 -0.912 -10.354 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.895 -4.272 -9.610 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.437 0.551 -10.409 1.00 0.00 H new ATOM 0 HE2 TYR A 79 2.923 -2.810 -9.666 1.00 0.00 H new ATOM 0 HH TYR A 79 2.775 0.114 -9.170 1.00 0.00 H new ATOM 1199 N THR A 80 9.640 -1.885 -10.267 1.00 0.00 N ATOM 1200 CA THR A 80 10.850 -1.098 -10.060 1.00 0.00 C ATOM 1201 C THR A 80 11.674 -1.655 -8.904 1.00 0.00 C ATOM 1202 O THR A 80 12.703 -2.298 -9.117 1.00 0.00 O ATOM 1203 CB THR A 80 10.493 0.364 -9.791 1.00 0.00 C ATOM 1204 OG1 THR A 80 9.334 0.736 -10.516 1.00 0.00 O ATOM 1205 CG2 THR A 80 11.600 1.328 -10.162 1.00 0.00 C ATOM 0 H THR A 80 8.845 -1.597 -9.696 1.00 0.00 H new ATOM 0 HA THR A 80 11.450 -1.157 -10.968 1.00 0.00 H new ATOM 0 HB THR A 80 10.324 0.430 -8.716 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.537 0.545 -9.979 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.282 2.348 -9.946 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.494 1.096 -9.582 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.823 1.235 -11.225 1.00 0.00 H new ATOM 1213 N VAL A 81 11.218 -1.405 -7.679 1.00 0.00 N ATOM 1214 CA VAL A 81 11.917 -1.883 -6.492 1.00 0.00 C ATOM 1215 C VAL A 81 11.022 -2.797 -5.660 1.00 0.00 C ATOM 1216 O VAL A 81 9.939 -2.403 -5.236 1.00 0.00 O ATOM 1217 CB VAL A 81 12.404 -0.713 -5.615 1.00 0.00 C ATOM 1218 CG1 VAL A 81 13.191 -1.229 -4.419 1.00 0.00 C ATOM 1219 CG2 VAL A 81 13.243 0.255 -6.435 1.00 0.00 C ATOM 0 H VAL A 81 10.369 -0.875 -7.484 1.00 0.00 H new ATOM 0 HA VAL A 81 12.783 -2.447 -6.839 1.00 0.00 H new ATOM 0 HB VAL A 81 11.531 -0.178 -5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.526 -0.387 -3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.555 -1.879 -3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.057 -1.791 -4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.578 1.075 -5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.109 -0.268 -6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.643 0.653 -7.254 1.00 0.00 H new ATOM 1229 N LEU A 82 11.494 -4.015 -5.426 1.00 0.00 N ATOM 1230 CA LEU A 82 10.750 -5.001 -4.650 1.00 0.00 C ATOM 1231 C LEU A 82 11.578 -5.496 -3.466 1.00 0.00 C ATOM 1232 O LEU A 82 12.517 -6.274 -3.636 1.00 0.00 O ATOM 1233 CB LEU A 82 10.365 -6.186 -5.544 1.00 0.00 C ATOM 1234 CG LEU A 82 8.879 -6.289 -5.894 1.00 0.00 C ATOM 1235 CD1 LEU A 82 8.053 -6.539 -4.642 1.00 0.00 C ATOM 1236 CD2 LEU A 82 8.406 -5.031 -6.609 1.00 0.00 C ATOM 0 H LEU A 82 12.397 -4.346 -5.766 1.00 0.00 H new ATOM 0 HA LEU A 82 9.847 -4.526 -4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.935 -6.120 -6.471 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.669 -7.108 -5.047 1.00 0.00 H new ATOM 0 HG LEU A 82 8.743 -7.134 -6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.999 -6.609 -4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.372 -7.471 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.195 -5.716 -3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.347 -5.125 -6.849 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.556 -4.167 -5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.976 -4.899 -7.529 1.00 0.00 H new ATOM 1248 N ASP A 83 11.227 -5.036 -2.268 1.00 0.00 N ATOM 1249 CA ASP A 83 11.942 -5.433 -1.057 1.00 0.00 C ATOM 1250 C ASP A 83 10.966 -5.799 0.056 1.00 0.00 C ATOM 1251 O ASP A 83 9.810 -5.377 0.041 1.00 0.00 O ATOM 1252 CB ASP A 83 12.860 -4.302 -0.590 1.00 0.00 C ATOM 1253 CG ASP A 83 14.115 -4.187 -1.433 1.00 0.00 C ATOM 1254 OD1 ASP A 83 14.753 -5.229 -1.693 1.00 0.00 O ATOM 1255 OD2 ASP A 83 14.460 -3.054 -1.832 1.00 0.00 O ATOM 0 H ASP A 83 10.454 -4.390 -2.109 1.00 0.00 H new ATOM 0 HA ASP A 83 12.544 -6.311 -1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.315 -3.359 -0.625 1.00 0.00 H new ATOM 0 HB3 ASP A 83 13.139 -4.471 0.450 1.00 0.00 H new ATOM 1260 N ILE A 84 11.433 -6.592 1.017 1.00 0.00 N ATOM 1261 CA ILE A 84 10.592 -7.015 2.133 1.00 0.00 C ATOM 1262 C ILE A 84 11.364 -7.016 3.449 1.00 0.00 C ATOM 1263 O ILE A 84 12.555 -6.706 3.485 1.00 0.00 O ATOM 1264 CB ILE A 84 10.005 -8.422 1.898 1.00 0.00 C ATOM 1265 CG1 ILE A 84 11.118 -9.472 1.900 1.00 0.00 C ATOM 1266 CG2 ILE A 84 9.229 -8.465 0.591 1.00 0.00 C ATOM 1267 CD1 ILE A 84 10.608 -10.895 1.955 1.00 0.00 C ATOM 0 H ILE A 84 12.386 -6.954 1.045 1.00 0.00 H new ATOM 0 HA ILE A 84 9.778 -6.292 2.196 1.00 0.00 H new ATOM 0 HB ILE A 84 9.316 -8.650 2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 84 11.726 -9.347 1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 84 11.771 -9.296 2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.822 -9.465 0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.413 -7.743 0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.895 -8.217 -0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.452 -11.584 1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 84 10.025 -11.038 2.865 1.00 0.00 H new ATOM 0 HD13 ILE A 84 9.979 -11.090 1.087 1.00 0.00 H new ATOM 1279 N GLN A 85 10.671 -7.375 4.526 1.00 0.00 N ATOM 1280 CA GLN A 85 11.277 -7.442 5.850 1.00 0.00 C ATOM 1281 C GLN A 85 10.526 -8.436 6.728 1.00 0.00 C ATOM 1282 O GLN A 85 9.427 -8.871 6.383 1.00 0.00 O ATOM 1283 CB GLN A 85 11.279 -6.060 6.508 1.00 0.00 C ATOM 1284 CG GLN A 85 12.547 -5.760 7.293 1.00 0.00 C ATOM 1285 CD GLN A 85 12.265 -5.132 8.644 1.00 0.00 C ATOM 1286 OE1 GLN A 85 11.181 -5.299 9.205 1.00 0.00 O ATOM 1287 NE2 GLN A 85 13.241 -4.405 9.175 1.00 0.00 N ATOM 0 H GLN A 85 9.682 -7.625 4.506 1.00 0.00 H new ATOM 0 HA GLN A 85 12.308 -7.779 5.739 1.00 0.00 H new ATOM 0 HB2 GLN A 85 11.151 -5.300 5.737 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.421 -5.984 7.177 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.108 -6.684 7.436 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.180 -5.090 6.711 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.123 -4.293 8.675 1.00 0.00 H new ATOM 0 HE22 GLN A 85 13.109 -3.959 10.082 1.00 0.00 H new ATOM 1296 N GLN A 86 11.120 -8.798 7.859 1.00 0.00 N ATOM 1297 CA GLN A 86 10.498 -9.749 8.774 1.00 0.00 C ATOM 1298 C GLN A 86 10.399 -9.175 10.183 1.00 0.00 C ATOM 1299 O GLN A 86 11.399 -8.748 10.762 1.00 0.00 O ATOM 1300 CB GLN A 86 11.290 -11.057 8.798 1.00 0.00 C ATOM 1301 CG GLN A 86 10.564 -12.193 9.502 1.00 0.00 C ATOM 1302 CD GLN A 86 10.542 -13.470 8.682 1.00 0.00 C ATOM 1303 OE1 GLN A 86 9.930 -13.406 7.505 1.00 0.00 O flip ATOM 1304 NE2 GLN A 86 11.065 -14.500 9.104 1.00 0.00 N flip ATOM 0 H GLN A 86 12.029 -8.449 8.164 1.00 0.00 H new ATOM 0 HA GLN A 86 9.488 -9.948 8.415 1.00 0.00 H new ATOM 0 HB2 GLN A 86 11.511 -11.357 7.774 1.00 0.00 H new ATOM 0 HB3 GLN A 86 12.246 -10.885 9.293 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.046 -12.389 10.460 1.00 0.00 H new ATOM 0 HG3 GLN A 86 9.540 -11.887 9.718 1.00 0.00 H new ATOM 0 HE21 GLN A 86 11.524 -14.503 10.015 1.00 0.00 H new ATOM 0 HE22 GLN A 86 11.039 -15.352 8.543 1.00 0.00 H new ATOM 1313 N ASP A 87 9.186 -9.166 10.727 1.00 0.00 N ATOM 1314 CA ASP A 87 8.952 -8.660 12.072 1.00 0.00 C ATOM 1315 C ASP A 87 7.942 -9.538 12.801 1.00 0.00 C ATOM 1316 O ASP A 87 6.750 -9.228 12.842 1.00 0.00 O ATOM 1317 CB ASP A 87 8.452 -7.215 12.024 1.00 0.00 C ATOM 1318 CG ASP A 87 8.776 -6.449 13.290 1.00 0.00 C ATOM 1319 OD1 ASP A 87 9.920 -5.962 13.413 1.00 0.00 O ATOM 1320 OD2 ASP A 87 7.887 -6.338 14.160 1.00 0.00 O ATOM 0 H ASP A 87 8.348 -9.505 10.254 1.00 0.00 H new ATOM 0 HA ASP A 87 9.897 -8.684 12.615 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.900 -6.707 11.170 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.373 -7.212 11.867 1.00 0.00 H new ATOM 1325 N GLY A 88 8.427 -10.645 13.358 1.00 0.00 N ATOM 1326 CA GLY A 88 7.558 -11.573 14.060 1.00 0.00 C ATOM 1327 C GLY A 88 6.656 -10.889 15.073 1.00 0.00 C ATOM 1328 O GLY A 88 7.055 -9.902 15.691 1.00 0.00 O ATOM 0 H GLY A 88 9.410 -10.916 13.335 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.943 -12.106 13.335 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.168 -12.319 14.570 1.00 0.00 H new ATOM 1332 N PRO A 89 5.420 -11.389 15.263 1.00 0.00 N ATOM 1333 CA PRO A 89 4.907 -12.565 14.562 1.00 0.00 C ATOM 1334 C PRO A 89 4.188 -12.208 13.262 1.00 0.00 C ATOM 1335 O PRO A 89 3.121 -12.745 12.966 1.00 0.00 O ATOM 1336 CB PRO A 89 3.921 -13.132 15.577 1.00 0.00 C ATOM 1337 CG PRO A 89 3.357 -11.927 16.257 1.00 0.00 C ATOM 1338 CD PRO A 89 4.428 -10.860 16.216 1.00 0.00 C ATOM 0 HA PRO A 89 5.697 -13.252 14.258 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.140 -13.716 15.090 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.417 -13.794 16.287 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.453 -11.586 15.753 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.081 -12.158 17.286 1.00 0.00 H new ATOM 0 HD2 PRO A 89 4.026 -9.903 15.884 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.867 -10.697 17.200 1.00 0.00 H new ATOM 1346 N THR A 90 4.774 -11.293 12.495 1.00 0.00 N ATOM 1347 CA THR A 90 4.183 -10.858 11.233 1.00 0.00 C ATOM 1348 C THR A 90 5.262 -10.607 10.186 1.00 0.00 C ATOM 1349 O THR A 90 6.436 -10.900 10.408 1.00 0.00 O ATOM 1350 CB THR A 90 3.361 -9.584 11.445 1.00 0.00 C ATOM 1351 OG1 THR A 90 4.187 -8.530 11.908 1.00 0.00 O ATOM 1352 CG2 THR A 90 2.231 -9.753 12.436 1.00 0.00 C ATOM 0 H THR A 90 5.658 -10.838 12.725 1.00 0.00 H new ATOM 0 HA THR A 90 3.529 -11.652 10.874 1.00 0.00 H new ATOM 0 HB THR A 90 2.930 -9.353 10.471 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.046 -8.895 12.206 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.691 -8.811 12.537 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.549 -10.526 12.082 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.637 -10.044 13.405 1.00 0.00 H new ATOM 1360 N ILE A 91 4.854 -10.054 9.049 1.00 0.00 N ATOM 1361 CA ILE A 91 5.785 -9.759 7.967 1.00 0.00 C ATOM 1362 C ILE A 91 5.322 -8.544 7.168 1.00 0.00 C ATOM 1363 O ILE A 91 4.125 -8.344 6.958 1.00 0.00 O ATOM 1364 CB ILE A 91 5.949 -10.966 7.027 1.00 0.00 C ATOM 1365 CG1 ILE A 91 6.878 -10.614 5.863 1.00 0.00 C ATOM 1366 CG2 ILE A 91 4.592 -11.429 6.521 1.00 0.00 C ATOM 1367 CD1 ILE A 91 7.597 -11.809 5.274 1.00 0.00 C ATOM 0 H ILE A 91 3.885 -9.801 8.853 1.00 0.00 H new ATOM 0 HA ILE A 91 6.751 -9.538 8.421 1.00 0.00 H new ATOM 0 HB ILE A 91 6.402 -11.786 7.584 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.296 -10.129 5.079 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.617 -9.890 6.206 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.723 -12.283 5.857 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.968 -11.719 7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.110 -10.617 5.976 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.237 -11.481 4.454 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.207 -12.282 6.043 1.00 0.00 H new ATOM 0 HD13 ILE A 91 6.866 -12.525 4.899 1.00 0.00 H new ATOM 1379 N ARG A 92 6.280 -7.726 6.740 1.00 0.00 N ATOM 1380 CA ARG A 92 5.975 -6.511 5.996 1.00 0.00 C ATOM 1381 C ARG A 92 6.700 -6.491 4.650 1.00 0.00 C ATOM 1382 O ARG A 92 7.900 -6.750 4.573 1.00 0.00 O ATOM 1383 CB ARG A 92 6.364 -5.286 6.833 1.00 0.00 C ATOM 1384 CG ARG A 92 6.743 -4.062 6.015 1.00 0.00 C ATOM 1385 CD ARG A 92 7.807 -3.233 6.716 1.00 0.00 C ATOM 1386 NE ARG A 92 7.236 -2.365 7.742 1.00 0.00 N ATOM 1387 CZ ARG A 92 6.779 -1.140 7.499 1.00 0.00 C ATOM 1388 NH1 ARG A 92 6.826 -0.642 6.270 1.00 0.00 N ATOM 1389 NH2 ARG A 92 6.273 -0.413 8.484 1.00 0.00 N ATOM 0 H ARG A 92 7.275 -7.884 6.897 1.00 0.00 H new ATOM 0 HA ARG A 92 4.904 -6.486 5.795 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.530 -5.028 7.486 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.203 -5.552 7.476 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.109 -4.375 5.037 1.00 0.00 H new ATOM 0 HG3 ARG A 92 5.858 -3.450 5.842 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.542 -3.897 7.171 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.336 -2.626 5.981 1.00 0.00 H new ATOM 0 HE ARG A 92 7.185 -2.718 8.698 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.213 -1.199 5.508 1.00 0.00 H new ATOM 0 HH12 ARG A 92 6.475 0.298 6.087 1.00 0.00 H new ATOM 0 HH21 ARG A 92 6.234 -0.793 9.430 1.00 0.00 H new ATOM 0 HH22 ARG A 92 5.923 0.526 8.297 1.00 0.00 H new ATOM 1403 N TYR A 93 5.959 -6.157 3.596 1.00 0.00 N ATOM 1404 CA TYR A 93 6.514 -6.072 2.249 1.00 0.00 C ATOM 1405 C TYR A 93 6.257 -4.682 1.672 1.00 0.00 C ATOM 1406 O TYR A 93 5.256 -4.053 1.999 1.00 0.00 O ATOM 1407 CB TYR A 93 5.883 -7.127 1.329 1.00 0.00 C ATOM 1408 CG TYR A 93 5.579 -8.459 1.992 1.00 0.00 C ATOM 1409 CD1 TYR A 93 4.580 -8.577 2.953 1.00 0.00 C ATOM 1410 CD2 TYR A 93 6.252 -9.610 1.608 1.00 0.00 C ATOM 1411 CE1 TYR A 93 4.292 -9.797 3.536 1.00 0.00 C ATOM 1412 CE2 TYR A 93 5.967 -10.832 2.182 1.00 0.00 C ATOM 1413 CZ TYR A 93 4.984 -10.921 3.141 1.00 0.00 C ATOM 1414 OH TYR A 93 4.703 -12.138 3.716 1.00 0.00 O ATOM 0 H TYR A 93 4.964 -5.939 3.651 1.00 0.00 H new ATOM 0 HA TYR A 93 7.587 -6.256 2.309 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.957 -6.723 0.919 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.554 -7.302 0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.021 -7.702 3.248 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.014 -9.548 0.845 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.529 -9.869 4.297 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.512 -11.714 1.880 1.00 0.00 H new ATOM 0 HH TYR A 93 5.280 -12.826 3.324 1.00 0.00 H new ATOM 1424 N LEU A 94 7.161 -4.192 0.829 1.00 0.00 N ATOM 1425 CA LEU A 94 6.990 -2.867 0.235 1.00 0.00 C ATOM 1426 C LEU A 94 7.731 -2.737 -1.091 1.00 0.00 C ATOM 1427 O LEU A 94 8.753 -3.386 -1.313 1.00 0.00 O ATOM 1428 CB LEU A 94 7.475 -1.786 1.202 1.00 0.00 C ATOM 1429 CG LEU A 94 8.751 -2.130 1.970 1.00 0.00 C ATOM 1430 CD1 LEU A 94 9.747 -0.983 1.890 1.00 0.00 C ATOM 1431 CD2 LEU A 94 8.422 -2.457 3.418 1.00 0.00 C ATOM 0 H LEU A 94 8.008 -4.683 0.544 1.00 0.00 H new ATOM 0 HA LEU A 94 5.926 -2.735 0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.644 -0.867 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.681 -1.580 1.920 1.00 0.00 H new ATOM 0 HG LEU A 94 9.207 -3.008 1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.649 -1.245 2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.002 -0.794 0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.304 -0.086 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.340 -2.700 3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.946 -1.596 3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.744 -3.310 3.453 1.00 0.00 H new ATOM 1443 N ILE A 95 7.211 -1.876 -1.962 1.00 0.00 N ATOM 1444 CA ILE A 95 7.831 -1.615 -3.258 1.00 0.00 C ATOM 1445 C ILE A 95 7.839 -0.115 -3.547 1.00 0.00 C ATOM 1446 O ILE A 95 7.063 0.638 -2.963 1.00 0.00 O ATOM 1447 CB ILE A 95 7.122 -2.379 -4.407 1.00 0.00 C ATOM 1448 CG1 ILE A 95 6.056 -1.508 -5.085 1.00 0.00 C ATOM 1449 CG2 ILE A 95 6.491 -3.660 -3.883 1.00 0.00 C ATOM 1450 CD1 ILE A 95 6.558 -0.789 -6.318 1.00 0.00 C ATOM 0 H ILE A 95 6.357 -1.345 -1.792 1.00 0.00 H new ATOM 0 HA ILE A 95 8.857 -1.979 -3.208 1.00 0.00 H new ATOM 0 HB ILE A 95 7.877 -2.631 -5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.207 -2.135 -5.360 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.690 -0.772 -4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.998 -4.184 -4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.265 -4.299 -3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.758 -3.416 -3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.752 -0.193 -6.745 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.387 -0.136 -6.046 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.897 -1.520 -7.052 1.00 0.00 H new ATOM 1462 N GLN A 96 8.731 0.318 -4.433 1.00 0.00 N ATOM 1463 CA GLN A 96 8.832 1.733 -4.777 1.00 0.00 C ATOM 1464 C GLN A 96 9.407 1.923 -6.177 1.00 0.00 C ATOM 1465 O GLN A 96 10.163 1.084 -6.667 1.00 0.00 O ATOM 1466 CB GLN A 96 9.704 2.463 -3.753 1.00 0.00 C ATOM 1467 CG GLN A 96 11.168 2.052 -3.793 1.00 0.00 C ATOM 1468 CD GLN A 96 12.109 3.241 -3.768 1.00 0.00 C ATOM 1469 OE1 GLN A 96 12.335 3.845 -2.720 1.00 0.00 O ATOM 1470 NE2 GLN A 96 12.663 3.582 -4.926 1.00 0.00 N ATOM 0 H GLN A 96 9.391 -0.286 -4.923 1.00 0.00 H new ATOM 0 HA GLN A 96 7.827 2.154 -4.762 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.632 3.537 -3.927 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.310 2.275 -2.754 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.383 1.405 -2.942 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.353 1.466 -4.694 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.447 3.052 -5.770 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.305 4.374 -4.971 1.00 0.00 H new ATOM 1479 N LYS A 97 9.059 3.040 -6.810 1.00 0.00 N ATOM 1480 CA LYS A 97 9.556 3.351 -8.145 1.00 0.00 C ATOM 1481 C LYS A 97 10.257 4.707 -8.160 1.00 0.00 C ATOM 1482 O LYS A 97 11.267 4.841 -8.881 1.00 0.00 O ATOM 1483 CB LYS A 97 8.408 3.345 -9.157 1.00 0.00 C ATOM 1484 CG LYS A 97 8.826 3.778 -10.555 1.00 0.00 C ATOM 1485 CD LYS A 97 7.773 3.422 -11.591 1.00 0.00 C ATOM 1486 CE LYS A 97 8.399 3.132 -12.946 1.00 0.00 C ATOM 1487 NZ LYS A 97 8.570 1.672 -13.179 1.00 0.00 N ATOM 1488 OXT LYS A 97 9.789 5.622 -7.449 1.00 0.00 O ATOM 0 H LYS A 97 8.434 3.745 -6.419 1.00 0.00 H new ATOM 0 HA LYS A 97 10.278 2.584 -8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.985 2.342 -9.208 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.618 4.007 -8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.999 4.854 -10.566 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.770 3.301 -10.817 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.211 2.551 -11.255 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.062 4.243 -11.686 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.773 3.554 -13.732 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.369 3.626 -13.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.306 1.519 -13.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.852 1.209 -12.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 7.672 1.266 -13.511 1.00 0.00 H new TER 1502 LYS A 97