USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 779 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 70 ASN : amide:sc= 0.0146 K(o=-2.2,f=-3.7) USER MOD Set 1.2: A 72 ASN : amide:sc= -2.21! C(o=-2.2!,f=-7.7!) USER MOD Set 2.1: A 56 GLN : amide:sc= 1.43 K(o=4.5,f=2.9) USER MOD Set 2.2: A 58 TYR OH : rot -60:sc= 1.6 USER MOD Set 2.3: A 87 LYS NZ :NH3+ 151:sc= 1.45 (180deg=0) USER MOD Set 3.1: A 49 ASN : amide:sc= -0.194 X(o=-0.073,f=0.43) USER MOD Set 3.2: A 50 THR OG1 : rot 180:sc= 0.0776 USER MOD Set 3.3: A 90 ASN : amide:sc= 0.0438 X(o=-0.073,f=0.43) USER MOD Set 4.1: A 36 THR OG1 : rot 180:sc= 1.13 USER MOD Set 4.2: A 38 SER OG : rot 180:sc= -0.37 USER MOD Set 4.3: A 39 SER OG : rot 111:sc= 1.21 USER MOD Set 5.1: A 21 LYS NZ :NH3+ 171:sc= 2.19 (180deg=1.12) USER MOD Set 5.2: A 26 GLN : amide:sc= 0.887 K(o=3.1,f=-4) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0987 (180deg=-0.517) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HE2:sc= 0.896 K(o=0.9,f=-6.5!) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.00054) USER MOD Single : A 6 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.011) USER MOD Single : A 7 HIS : no HE2:sc= 0.797 K(o=0.8,f=-2.5!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.081) USER MOD Single : A 15 LYS NZ :NH3+ 170:sc= 0.816 (180deg=0.677) USER MOD Single : A 17 HIS : no HD1:sc= -2.54! C(o=-2.5!,f=-4.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 138:sc= 1.15 (180deg=0.58) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -72:sc= 1.15 USER MOD Single : A 41 LYS NZ :NH3+ -139:sc= 0.88 (180deg=-0.302!) USER MOD Single : A 43 LYS NZ :NH3+ -117:sc= 1.14 (180deg=-0.471) USER MOD Single : A 45 HIS : no HE2:sc= 0.94 K(o=0.94,f=-2.9!) USER MOD Single : A 53 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.074) USER MOD Single : A 55 MET CE :methyl 163:sc= -0.0739 (180deg=-0.71) USER MOD Single : A 59 TYR OH : rot 96:sc= 0.34 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 39:sc= 1.35 USER MOD Single : A 74 TYR OH : rot 0:sc= -0.747 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -96:sc= -2.56! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.695 -13.199 -9.152 1.00 0.00 N ATOM 2 CA MET A 1 -6.200 -14.588 -9.069 1.00 0.00 C ATOM 3 C MET A 1 -5.564 -15.300 -7.886 1.00 0.00 C ATOM 4 O MET A 1 -4.341 -15.388 -7.794 1.00 0.00 O ATOM 5 CB MET A 1 -5.896 -15.347 -10.367 1.00 0.00 C ATOM 6 CG MET A 1 -6.322 -16.809 -10.339 1.00 0.00 C ATOM 7 SD MET A 1 -6.020 -17.661 -11.903 1.00 0.00 S ATOM 8 CE MET A 1 -4.238 -17.529 -12.038 1.00 0.00 C ATOM 0 H1 MET A 1 -6.134 -12.718 -9.963 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.933 -12.690 -8.277 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.662 -13.212 -9.275 1.00 0.00 H new ATOM 0 HA MET A 1 -7.281 -14.560 -8.929 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.399 -14.848 -11.195 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.826 -15.294 -10.566 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.785 -17.323 -9.542 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.383 -16.868 -10.098 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.872 -18.261 -12.758 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.972 -16.527 -12.373 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.784 -17.719 -11.065 1.00 0.00 H new ATOM 20 N GLY A 2 -6.391 -15.792 -6.977 1.00 0.00 N ATOM 21 CA GLY A 2 -5.881 -16.481 -5.814 1.00 0.00 C ATOM 22 C GLY A 2 -6.919 -16.601 -4.720 1.00 0.00 C ATOM 23 O GLY A 2 -8.119 -16.645 -4.998 1.00 0.00 O ATOM 0 H GLY A 2 -7.408 -15.726 -7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.543 -17.476 -6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -5.011 -15.948 -5.430 1.00 0.00 H new ATOM 27 N HIS A 3 -6.458 -16.629 -3.478 1.00 0.00 N ATOM 28 CA HIS A 3 -7.339 -16.808 -2.332 1.00 0.00 C ATOM 29 C HIS A 3 -8.129 -15.534 -2.045 1.00 0.00 C ATOM 30 O HIS A 3 -9.296 -15.590 -1.655 1.00 0.00 O ATOM 31 CB HIS A 3 -6.518 -17.216 -1.102 1.00 0.00 C ATOM 32 CG HIS A 3 -7.331 -17.418 0.143 1.00 0.00 C ATOM 33 ND1 HIS A 3 -7.343 -16.520 1.189 1.00 0.00 N ATOM 34 CD2 HIS A 3 -8.147 -18.433 0.515 1.00 0.00 C ATOM 35 CE1 HIS A 3 -8.128 -16.974 2.148 1.00 0.00 C ATOM 36 NE2 HIS A 3 -8.629 -18.133 1.765 1.00 0.00 N ATOM 0 H HIS A 3 -5.472 -16.529 -3.237 1.00 0.00 H new ATOM 0 HA HIS A 3 -8.051 -17.600 -2.564 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.983 -18.139 -1.326 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.766 -16.450 -0.911 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.376 -19.315 -0.064 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.327 -16.480 3.088 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -9.270 -18.711 2.309 1.00 0.00 H new ATOM 45 N HIS A 4 -7.492 -14.388 -2.236 1.00 0.00 N ATOM 46 CA HIS A 4 -8.140 -13.113 -1.967 1.00 0.00 C ATOM 47 C HIS A 4 -9.126 -12.789 -3.081 1.00 0.00 C ATOM 48 O HIS A 4 -8.732 -12.558 -4.225 1.00 0.00 O ATOM 49 CB HIS A 4 -7.104 -11.995 -1.840 1.00 0.00 C ATOM 50 CG HIS A 4 -7.548 -10.852 -0.979 1.00 0.00 C ATOM 51 ND1 HIS A 4 -6.700 -9.849 -0.574 1.00 0.00 N ATOM 52 CD2 HIS A 4 -8.753 -10.564 -0.428 1.00 0.00 C ATOM 53 CE1 HIS A 4 -7.356 -8.999 0.189 1.00 0.00 C ATOM 54 NE2 HIS A 4 -8.604 -9.408 0.294 1.00 0.00 N ATOM 0 H HIS A 4 -6.533 -14.315 -2.574 1.00 0.00 H new ATOM 0 HA HIS A 4 -8.678 -13.190 -1.022 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -6.184 -12.410 -1.429 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -6.867 -11.617 -2.835 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -5.714 -9.774 -0.826 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -9.661 -11.138 -0.537 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -6.941 -8.115 0.651 1.00 0.00 H new ATOM 63 N HIS A 5 -10.404 -12.784 -2.743 1.00 0.00 N ATOM 64 CA HIS A 5 -11.449 -12.554 -3.730 1.00 0.00 C ATOM 65 C HIS A 5 -12.145 -11.217 -3.512 1.00 0.00 C ATOM 66 O HIS A 5 -11.824 -10.475 -2.580 1.00 0.00 O ATOM 67 CB HIS A 5 -12.477 -13.685 -3.698 1.00 0.00 C ATOM 68 CG HIS A 5 -12.020 -14.927 -4.395 1.00 0.00 C ATOM 69 ND1 HIS A 5 -11.539 -16.036 -3.735 1.00 0.00 N ATOM 70 CD2 HIS A 5 -11.978 -15.230 -5.712 1.00 0.00 C ATOM 71 CE1 HIS A 5 -11.220 -16.964 -4.616 1.00 0.00 C ATOM 72 NE2 HIS A 5 -11.477 -16.499 -5.822 1.00 0.00 N ATOM 0 H HIS A 5 -10.745 -12.936 -1.794 1.00 0.00 H new ATOM 0 HA HIS A 5 -10.970 -12.531 -4.709 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -12.709 -13.925 -2.660 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -13.401 -13.338 -4.160 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -12.283 -14.589 -6.526 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -10.817 -17.940 -4.388 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -11.327 -17.003 -6.696 1.00 0.00 H new ATOM 81 N HIS A 6 -13.096 -10.922 -4.387 1.00 0.00 N ATOM 82 CA HIS A 6 -13.868 -9.692 -4.312 1.00 0.00 C ATOM 83 C HIS A 6 -15.244 -9.997 -3.737 1.00 0.00 C ATOM 84 O HIS A 6 -16.099 -10.562 -4.422 1.00 0.00 O ATOM 85 CB HIS A 6 -13.991 -9.077 -5.712 1.00 0.00 C ATOM 86 CG HIS A 6 -14.579 -7.698 -5.740 1.00 0.00 C ATOM 87 ND1 HIS A 6 -13.890 -6.602 -6.213 1.00 0.00 N ATOM 88 CD2 HIS A 6 -15.799 -7.242 -5.375 1.00 0.00 C ATOM 89 CE1 HIS A 6 -14.660 -5.534 -6.134 1.00 0.00 C ATOM 90 NE2 HIS A 6 -15.823 -5.894 -5.630 1.00 0.00 N ATOM 0 H HIS A 6 -13.353 -11.528 -5.167 1.00 0.00 H new ATOM 0 HA HIS A 6 -13.365 -8.976 -3.662 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -13.002 -9.045 -6.168 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -14.606 -9.732 -6.329 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -16.604 -7.830 -4.960 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -14.384 -4.533 -6.432 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -16.613 -5.272 -5.457 1.00 0.00 H new ATOM 99 N HIS A 7 -15.452 -9.640 -2.480 1.00 0.00 N ATOM 100 CA HIS A 7 -16.712 -9.940 -1.813 1.00 0.00 C ATOM 101 C HIS A 7 -17.731 -8.838 -2.058 1.00 0.00 C ATOM 102 O HIS A 7 -17.370 -7.677 -2.256 1.00 0.00 O ATOM 103 CB HIS A 7 -16.517 -10.151 -0.299 1.00 0.00 C ATOM 104 CG HIS A 7 -16.178 -8.909 0.483 1.00 0.00 C ATOM 105 ND1 HIS A 7 -17.127 -8.128 1.113 1.00 0.00 N ATOM 106 CD2 HIS A 7 -14.984 -8.334 0.759 1.00 0.00 C ATOM 107 CE1 HIS A 7 -16.529 -7.131 1.737 1.00 0.00 C ATOM 108 NE2 HIS A 7 -15.230 -7.233 1.541 1.00 0.00 N ATOM 0 H HIS A 7 -14.771 -9.146 -1.903 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.089 -10.870 -2.239 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -17.430 -10.582 0.112 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -15.723 -10.883 -0.150 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -18.133 -8.296 1.098 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -14.016 -8.678 0.425 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -17.022 -6.361 2.312 1.00 0.00 H new ATOM 117 N HIS A 8 -19.001 -9.213 -2.061 1.00 0.00 N ATOM 118 CA HIS A 8 -20.081 -8.242 -2.152 1.00 0.00 C ATOM 119 C HIS A 8 -20.134 -7.398 -0.888 1.00 0.00 C ATOM 120 O HIS A 8 -19.749 -7.854 0.192 1.00 0.00 O ATOM 121 CB HIS A 8 -21.430 -8.930 -2.357 1.00 0.00 C ATOM 122 CG HIS A 8 -21.615 -9.541 -3.712 1.00 0.00 C ATOM 123 ND1 HIS A 8 -22.037 -10.836 -3.899 1.00 0.00 N ATOM 124 CD2 HIS A 8 -21.466 -9.015 -4.949 1.00 0.00 C ATOM 125 CE1 HIS A 8 -22.143 -11.081 -5.190 1.00 0.00 C ATOM 126 NE2 HIS A 8 -21.804 -9.990 -5.856 1.00 0.00 N ATOM 0 H HIS A 8 -19.309 -10.183 -2.001 1.00 0.00 H new ATOM 0 HA HIS A 8 -19.882 -7.604 -3.013 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -21.545 -9.708 -1.602 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -22.224 -8.203 -2.189 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -21.141 -8.012 -5.181 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -22.455 -12.017 -5.630 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -21.795 -9.889 -6.871 1.00 0.00 H new ATOM 135 N SER A 9 -20.597 -6.168 -1.029 1.00 0.00 N ATOM 136 CA SER A 9 -20.740 -5.279 0.103 1.00 0.00 C ATOM 137 C SER A 9 -21.963 -4.391 -0.086 1.00 0.00 C ATOM 138 O SER A 9 -22.060 -3.656 -1.069 1.00 0.00 O ATOM 139 CB SER A 9 -19.481 -4.422 0.263 1.00 0.00 C ATOM 140 OG SER A 9 -19.477 -3.736 1.506 1.00 0.00 O ATOM 0 H SER A 9 -20.880 -5.764 -1.922 1.00 0.00 H new ATOM 0 HA SER A 9 -20.873 -5.874 1.007 1.00 0.00 H new ATOM 0 HB2 SER A 9 -18.596 -5.055 0.192 1.00 0.00 H new ATOM 0 HB3 SER A 9 -19.423 -3.701 -0.553 1.00 0.00 H new ATOM 0 HG SER A 9 -18.661 -3.199 1.581 1.00 0.00 H new ATOM 146 N HIS A 10 -22.904 -4.482 0.840 1.00 0.00 N ATOM 147 CA HIS A 10 -24.087 -3.632 0.806 1.00 0.00 C ATOM 148 C HIS A 10 -23.894 -2.420 1.710 1.00 0.00 C ATOM 149 O HIS A 10 -24.856 -1.829 2.202 1.00 0.00 O ATOM 150 CB HIS A 10 -25.359 -4.415 1.190 1.00 0.00 C ATOM 151 CG HIS A 10 -25.278 -5.181 2.480 1.00 0.00 C ATOM 152 ND1 HIS A 10 -25.489 -6.542 2.555 1.00 0.00 N ATOM 153 CD2 HIS A 10 -25.043 -4.773 3.749 1.00 0.00 C ATOM 154 CE1 HIS A 10 -25.385 -6.936 3.809 1.00 0.00 C ATOM 155 NE2 HIS A 10 -25.115 -5.882 4.551 1.00 0.00 N ATOM 0 H HIS A 10 -22.873 -5.134 1.624 1.00 0.00 H new ATOM 0 HA HIS A 10 -24.222 -3.282 -0.217 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -26.191 -3.714 1.255 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -25.592 -5.113 0.386 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -24.837 -3.762 4.070 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -25.501 -7.949 4.166 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -24.981 -5.890 5.562 1.00 0.00 H new ATOM 164 N ALA A 11 -22.637 -2.057 1.921 1.00 0.00 N ATOM 165 CA ALA A 11 -22.297 -0.873 2.690 1.00 0.00 C ATOM 166 C ALA A 11 -21.804 0.222 1.754 1.00 0.00 C ATOM 167 O ALA A 11 -21.214 -0.064 0.714 1.00 0.00 O ATOM 168 CB ALA A 11 -21.245 -1.201 3.739 1.00 0.00 C ATOM 0 H ALA A 11 -21.831 -2.572 1.566 1.00 0.00 H new ATOM 0 HA ALA A 11 -23.187 -0.518 3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -21.003 -0.302 4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -21.631 -1.963 4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -20.346 -1.574 3.248 1.00 0.00 H new ATOM 174 N ALA A 12 -22.041 1.472 2.122 1.00 0.00 N ATOM 175 CA ALA A 12 -21.682 2.601 1.271 1.00 0.00 C ATOM 176 C ALA A 12 -20.215 2.995 1.427 1.00 0.00 C ATOM 177 O ALA A 12 -19.829 4.123 1.108 1.00 0.00 O ATOM 178 CB ALA A 12 -22.584 3.784 1.576 1.00 0.00 C ATOM 0 H ALA A 12 -22.481 1.732 3.005 1.00 0.00 H new ATOM 0 HA ALA A 12 -21.823 2.294 0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -22.311 4.624 0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -23.622 3.508 1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -22.468 4.070 2.621 1.00 0.00 H new ATOM 184 N VAL A 13 -19.402 2.061 1.897 1.00 0.00 N ATOM 185 CA VAL A 13 -17.978 2.304 2.069 1.00 0.00 C ATOM 186 C VAL A 13 -17.281 2.272 0.709 1.00 0.00 C ATOM 187 O VAL A 13 -17.430 1.318 -0.060 1.00 0.00 O ATOM 188 CB VAL A 13 -17.334 1.287 3.049 1.00 0.00 C ATOM 189 CG1 VAL A 13 -17.542 -0.147 2.585 1.00 0.00 C ATOM 190 CG2 VAL A 13 -15.851 1.585 3.239 1.00 0.00 C ATOM 0 H VAL A 13 -19.705 1.125 2.167 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.851 3.292 2.511 1.00 0.00 H new ATOM 0 HB VAL A 13 -17.834 1.396 4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -17.078 -0.830 3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -18.610 -0.358 2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -17.088 -0.281 1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.420 0.860 3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.341 1.519 2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -15.731 2.589 3.645 1.00 0.00 H new ATOM 200 N ARG A 14 -16.531 3.321 0.410 1.00 0.00 N ATOM 201 CA ARG A 14 -15.982 3.503 -0.916 1.00 0.00 C ATOM 202 C ARG A 14 -14.516 3.130 -0.977 1.00 0.00 C ATOM 203 O ARG A 14 -13.717 3.523 -0.123 1.00 0.00 O ATOM 204 CB ARG A 14 -16.181 4.941 -1.375 1.00 0.00 C ATOM 205 CG ARG A 14 -17.611 5.217 -1.769 1.00 0.00 C ATOM 206 CD ARG A 14 -17.968 4.525 -3.073 1.00 0.00 C ATOM 207 NE ARG A 14 -19.379 4.696 -3.421 1.00 0.00 N ATOM 208 CZ ARG A 14 -19.950 4.150 -4.492 1.00 0.00 C ATOM 209 NH1 ARG A 14 -19.230 3.412 -5.326 1.00 0.00 N ATOM 210 NH2 ARG A 14 -21.244 4.334 -4.720 1.00 0.00 N ATOM 0 H ARG A 14 -16.291 4.059 1.072 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.518 2.833 -1.589 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -15.888 5.621 -0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -15.526 5.145 -2.222 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -18.280 4.876 -0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -17.761 6.292 -1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -17.347 4.923 -3.875 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -17.742 3.462 -2.992 1.00 0.00 H new ATOM 0 HE ARG A 14 -19.959 5.267 -2.807 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.237 3.262 -5.147 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -19.669 2.994 -6.146 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -21.801 4.894 -4.075 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -21.682 3.916 -5.541 1.00 0.00 H new ATOM 224 N LYS A 15 -14.183 2.354 -1.987 1.00 0.00 N ATOM 225 CA LYS A 15 -12.806 1.980 -2.242 1.00 0.00 C ATOM 226 C LYS A 15 -12.085 3.138 -2.922 1.00 0.00 C ATOM 227 O LYS A 15 -12.667 3.848 -3.745 1.00 0.00 O ATOM 228 CB LYS A 15 -12.734 0.712 -3.110 1.00 0.00 C ATOM 229 CG LYS A 15 -12.976 -0.594 -2.351 1.00 0.00 C ATOM 230 CD LYS A 15 -14.276 -0.570 -1.562 1.00 0.00 C ATOM 231 CE LYS A 15 -14.523 -1.881 -0.831 1.00 0.00 C ATOM 232 NZ LYS A 15 -15.504 -1.709 0.272 1.00 0.00 N ATOM 0 H LYS A 15 -14.853 1.966 -2.651 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.317 1.760 -1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.469 0.793 -3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.753 0.666 -3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.998 -1.424 -3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.144 -0.776 -1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.248 0.247 -0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.107 -0.370 -2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.891 -2.628 -1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.583 -2.258 -0.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.779 -2.642 0.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.074 -1.149 1.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.347 -1.216 -0.087 1.00 0.00 H new ATOM 246 N ILE A 16 -10.829 3.327 -2.573 1.00 0.00 N ATOM 247 CA ILE A 16 -10.072 4.476 -3.040 1.00 0.00 C ATOM 248 C ILE A 16 -8.995 4.066 -4.030 1.00 0.00 C ATOM 249 O ILE A 16 -8.752 2.877 -4.248 1.00 0.00 O ATOM 250 CB ILE A 16 -9.428 5.234 -1.864 1.00 0.00 C ATOM 251 CG1 ILE A 16 -8.495 4.312 -1.070 1.00 0.00 C ATOM 252 CG2 ILE A 16 -10.511 5.812 -0.965 1.00 0.00 C ATOM 253 CD1 ILE A 16 -7.849 4.979 0.123 1.00 0.00 C ATOM 0 H ILE A 16 -10.306 2.697 -1.964 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.777 5.137 -3.544 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.829 6.054 -2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.061 3.445 -0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.714 3.941 -1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.048 6.347 -0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -11.132 6.500 -1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -11.130 5.004 -0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.204 4.264 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.255 5.829 -0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.622 5.325 0.809 1.00 0.00 H new ATOM 265 N HIS A 17 -8.353 5.055 -4.632 1.00 0.00 N ATOM 266 CA HIS A 17 -7.322 4.804 -5.626 1.00 0.00 C ATOM 267 C HIS A 17 -5.960 5.237 -5.107 1.00 0.00 C ATOM 268 O HIS A 17 -5.649 6.429 -5.057 1.00 0.00 O ATOM 269 CB HIS A 17 -7.650 5.528 -6.938 1.00 0.00 C ATOM 270 CG HIS A 17 -8.857 4.976 -7.632 1.00 0.00 C ATOM 271 ND1 HIS A 17 -10.050 5.653 -7.731 1.00 0.00 N ATOM 272 CD2 HIS A 17 -9.054 3.786 -8.245 1.00 0.00 C ATOM 273 CE1 HIS A 17 -10.930 4.905 -8.368 1.00 0.00 C ATOM 274 NE2 HIS A 17 -10.353 3.763 -8.691 1.00 0.00 N ATOM 0 H HIS A 17 -8.529 6.043 -4.448 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.291 3.732 -5.822 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.810 6.586 -6.731 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.792 5.460 -7.607 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.324 2.999 -8.362 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -11.951 5.181 -8.588 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -10.798 2.992 -9.189 1.00 0.00 H new ATOM 283 N VAL A 18 -5.157 4.268 -4.703 1.00 0.00 N ATOM 284 CA VAL A 18 -3.820 4.549 -4.206 1.00 0.00 C ATOM 285 C VAL A 18 -2.822 4.592 -5.354 1.00 0.00 C ATOM 286 O VAL A 18 -2.959 3.862 -6.337 1.00 0.00 O ATOM 287 CB VAL A 18 -3.356 3.499 -3.178 1.00 0.00 C ATOM 288 CG1 VAL A 18 -4.258 3.515 -1.953 1.00 0.00 C ATOM 289 CG2 VAL A 18 -3.313 2.112 -3.807 1.00 0.00 C ATOM 0 H VAL A 18 -5.407 3.279 -4.709 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.863 5.520 -3.713 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.346 3.754 -2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.915 2.767 -1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.225 4.501 -1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.281 3.288 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.983 1.386 -3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.308 1.842 -4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.617 2.114 -4.646 1.00 0.00 H new ATOM 299 N THR A 19 -1.823 5.442 -5.231 1.00 0.00 N ATOM 300 CA THR A 19 -0.809 5.548 -6.258 1.00 0.00 C ATOM 301 C THR A 19 0.439 4.788 -5.838 1.00 0.00 C ATOM 302 O THR A 19 1.145 5.203 -4.924 1.00 0.00 O ATOM 303 CB THR A 19 -0.449 7.017 -6.524 1.00 0.00 C ATOM 304 OG1 THR A 19 -1.640 7.774 -6.775 1.00 0.00 O ATOM 305 CG2 THR A 19 0.489 7.138 -7.713 1.00 0.00 C ATOM 0 H THR A 19 -1.692 6.066 -4.435 1.00 0.00 H new ATOM 0 HA THR A 19 -1.209 5.115 -7.175 1.00 0.00 H new ATOM 0 HB THR A 19 0.055 7.410 -5.641 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.403 8.710 -6.942 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.729 8.188 -7.881 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.406 6.584 -7.511 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.006 6.729 -8.601 1.00 0.00 H new ATOM 313 N VAL A 20 0.709 3.677 -6.502 1.00 0.00 N ATOM 314 CA VAL A 20 1.843 2.843 -6.144 1.00 0.00 C ATOM 315 C VAL A 20 3.076 3.249 -6.941 1.00 0.00 C ATOM 316 O VAL A 20 3.096 3.164 -8.171 1.00 0.00 O ATOM 317 CB VAL A 20 1.541 1.346 -6.373 1.00 0.00 C ATOM 318 CG1 VAL A 20 2.704 0.487 -5.908 1.00 0.00 C ATOM 319 CG2 VAL A 20 0.260 0.944 -5.655 1.00 0.00 C ATOM 0 H VAL A 20 0.160 3.333 -7.290 1.00 0.00 H new ATOM 0 HA VAL A 20 2.036 2.992 -5.082 1.00 0.00 H new ATOM 0 HB VAL A 20 1.403 1.185 -7.442 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.471 -0.564 -6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.601 0.755 -6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.876 0.653 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.063 -0.114 -5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.371 1.123 -4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.572 1.535 -6.037 1.00 0.00 H new ATOM 329 N LYS A 21 4.091 3.710 -6.229 1.00 0.00 N ATOM 330 CA LYS A 21 5.335 4.130 -6.847 1.00 0.00 C ATOM 331 C LYS A 21 6.424 3.078 -6.661 1.00 0.00 C ATOM 332 O LYS A 21 6.952 2.905 -5.564 1.00 0.00 O ATOM 333 CB LYS A 21 5.799 5.465 -6.251 1.00 0.00 C ATOM 334 CG LYS A 21 5.230 6.697 -6.946 1.00 0.00 C ATOM 335 CD LYS A 21 5.615 7.969 -6.204 1.00 0.00 C ATOM 336 CE LYS A 21 5.591 9.196 -7.108 1.00 0.00 C ATOM 337 NZ LYS A 21 4.245 9.466 -7.685 1.00 0.00 N ATOM 0 H LYS A 21 4.075 3.803 -5.213 1.00 0.00 H new ATOM 0 HA LYS A 21 5.154 4.254 -7.915 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.519 5.495 -5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.887 5.509 -6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.599 6.744 -7.971 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.144 6.619 -7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.930 8.122 -5.370 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.612 7.852 -5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.918 10.066 -6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.307 9.058 -7.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.251 10.389 -8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.006 8.722 -8.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.536 9.475 -6.924 1.00 0.00 H new ATOM 351 N PHE A 22 6.731 2.359 -7.731 1.00 0.00 N ATOM 352 CA PHE A 22 7.866 1.448 -7.743 1.00 0.00 C ATOM 353 C PHE A 22 9.084 2.166 -8.319 1.00 0.00 C ATOM 354 O PHE A 22 8.938 3.138 -9.064 1.00 0.00 O ATOM 355 CB PHE A 22 7.555 0.196 -8.581 1.00 0.00 C ATOM 356 CG PHE A 22 6.940 -0.942 -7.808 1.00 0.00 C ATOM 357 CD1 PHE A 22 5.598 -0.927 -7.461 1.00 0.00 C ATOM 358 CD2 PHE A 22 7.707 -2.036 -7.436 1.00 0.00 C ATOM 359 CE1 PHE A 22 5.039 -1.976 -6.758 1.00 0.00 C ATOM 360 CE2 PHE A 22 7.150 -3.087 -6.733 1.00 0.00 C ATOM 361 CZ PHE A 22 5.814 -3.056 -6.392 1.00 0.00 C ATOM 0 H PHE A 22 6.207 2.389 -8.606 1.00 0.00 H new ATOM 0 HA PHE A 22 8.072 1.132 -6.720 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.879 0.475 -9.390 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.478 -0.154 -9.043 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.983 -0.086 -7.744 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.754 -2.067 -7.699 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.992 -1.950 -6.494 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.760 -3.932 -6.451 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.376 -3.875 -5.840 1.00 0.00 H new ATOM 371 N PRO A 23 10.301 1.704 -7.990 1.00 0.00 N ATOM 372 CA PRO A 23 11.543 2.293 -8.512 1.00 0.00 C ATOM 373 C PRO A 23 11.770 1.977 -9.997 1.00 0.00 C ATOM 374 O PRO A 23 12.909 1.843 -10.453 1.00 0.00 O ATOM 375 CB PRO A 23 12.628 1.638 -7.652 1.00 0.00 C ATOM 376 CG PRO A 23 12.040 0.339 -7.224 1.00 0.00 C ATOM 377 CD PRO A 23 10.564 0.584 -7.067 1.00 0.00 C ATOM 0 HA PRO A 23 11.531 3.382 -8.458 1.00 0.00 H new ATOM 0 HB2 PRO A 23 13.546 1.489 -8.220 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.881 2.260 -6.793 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.230 -0.438 -7.964 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.481 0.001 -6.286 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.980 -0.298 -7.330 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.307 0.842 -6.040 1.00 0.00 H new ATOM 385 N SER A 24 10.679 1.893 -10.746 1.00 0.00 N ATOM 386 CA SER A 24 10.725 1.576 -12.163 1.00 0.00 C ATOM 387 C SER A 24 9.479 2.102 -12.872 1.00 0.00 C ATOM 388 O SER A 24 9.579 2.840 -13.854 1.00 0.00 O ATOM 389 CB SER A 24 10.860 0.066 -12.360 1.00 0.00 C ATOM 390 OG SER A 24 10.047 -0.640 -11.437 1.00 0.00 O ATOM 0 H SER A 24 9.737 2.043 -10.386 1.00 0.00 H new ATOM 0 HA SER A 24 11.596 2.063 -12.601 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.575 -0.199 -13.378 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.902 -0.230 -12.233 1.00 0.00 H new ATOM 0 HG SER A 24 10.148 -1.604 -11.583 1.00 0.00 H new ATOM 396 N LYS A 25 8.306 1.736 -12.365 1.00 0.00 N ATOM 397 CA LYS A 25 7.052 2.199 -12.946 1.00 0.00 C ATOM 398 C LYS A 25 6.059 2.583 -11.854 1.00 0.00 C ATOM 399 O LYS A 25 6.241 2.243 -10.685 1.00 0.00 O ATOM 400 CB LYS A 25 6.437 1.137 -13.875 1.00 0.00 C ATOM 401 CG LYS A 25 5.678 0.026 -13.182 1.00 0.00 C ATOM 402 CD LYS A 25 6.585 -0.864 -12.372 1.00 0.00 C ATOM 403 CE LYS A 25 5.813 -2.031 -11.815 1.00 0.00 C ATOM 404 NZ LYS A 25 5.383 -2.979 -12.876 1.00 0.00 N ATOM 0 H LYS A 25 8.198 1.123 -11.557 1.00 0.00 H new ATOM 0 HA LYS A 25 7.275 3.083 -13.544 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.762 1.635 -14.571 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.236 0.692 -14.469 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.919 0.459 -12.530 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.154 -0.573 -13.927 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.403 -1.225 -12.996 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.033 -0.294 -11.558 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.430 -2.558 -11.088 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.936 -1.663 -11.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.524 -3.955 -12.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.376 -2.828 -13.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.947 -2.818 -13.735 1.00 0.00 H new ATOM 418 N GLN A 26 5.017 3.295 -12.250 1.00 0.00 N ATOM 419 CA GLN A 26 3.977 3.733 -11.332 1.00 0.00 C ATOM 420 C GLN A 26 2.604 3.286 -11.831 1.00 0.00 C ATOM 421 O GLN A 26 2.339 3.299 -13.034 1.00 0.00 O ATOM 422 CB GLN A 26 4.035 5.257 -11.181 1.00 0.00 C ATOM 423 CG GLN A 26 2.780 5.875 -10.594 1.00 0.00 C ATOM 424 CD GLN A 26 2.940 7.355 -10.324 1.00 0.00 C ATOM 425 OE1 GLN A 26 4.022 7.818 -9.965 1.00 0.00 O ATOM 426 NE2 GLN A 26 1.877 8.114 -10.530 1.00 0.00 N ATOM 0 H GLN A 26 4.868 3.586 -13.216 1.00 0.00 H new ATOM 0 HA GLN A 26 4.143 3.278 -10.356 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.884 5.515 -10.548 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.221 5.700 -12.159 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.947 5.721 -11.280 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.526 5.364 -9.665 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.998 7.691 -10.827 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.936 9.123 -10.392 1.00 0.00 H new ATOM 435 N PHE A 27 1.744 2.872 -10.909 1.00 0.00 N ATOM 436 CA PHE A 27 0.407 2.422 -11.263 1.00 0.00 C ATOM 437 C PHE A 27 -0.566 2.639 -10.106 1.00 0.00 C ATOM 438 O PHE A 27 -0.153 2.779 -8.955 1.00 0.00 O ATOM 439 CB PHE A 27 0.431 0.945 -11.686 1.00 0.00 C ATOM 440 CG PHE A 27 0.983 0.003 -10.647 1.00 0.00 C ATOM 441 CD1 PHE A 27 2.337 -0.301 -10.608 1.00 0.00 C ATOM 442 CD2 PHE A 27 0.144 -0.587 -9.718 1.00 0.00 C ATOM 443 CE1 PHE A 27 2.838 -1.173 -9.660 1.00 0.00 C ATOM 444 CE2 PHE A 27 0.640 -1.458 -8.767 1.00 0.00 C ATOM 445 CZ PHE A 27 1.988 -1.751 -8.737 1.00 0.00 C ATOM 0 H PHE A 27 1.950 2.839 -9.911 1.00 0.00 H new ATOM 0 HA PHE A 27 0.060 3.016 -12.109 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.584 0.636 -11.935 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.025 0.851 -12.595 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.006 0.149 -11.326 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.912 -0.364 -9.737 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.893 -1.402 -9.641 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.027 -1.909 -8.047 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.378 -2.431 -7.994 1.00 0.00 H new ATOM 455 N THR A 28 -1.853 2.684 -10.419 1.00 0.00 N ATOM 456 CA THR A 28 -2.881 2.898 -9.410 1.00 0.00 C ATOM 457 C THR A 28 -3.555 1.577 -9.041 1.00 0.00 C ATOM 458 O THR A 28 -3.738 0.708 -9.895 1.00 0.00 O ATOM 459 CB THR A 28 -3.959 3.876 -9.917 1.00 0.00 C ATOM 460 OG1 THR A 28 -3.349 4.972 -10.617 1.00 0.00 O ATOM 461 CG2 THR A 28 -4.795 4.421 -8.770 1.00 0.00 C ATOM 0 H THR A 28 -2.211 2.575 -11.368 1.00 0.00 H new ATOM 0 HA THR A 28 -2.392 3.322 -8.533 1.00 0.00 H new ATOM 0 HB THR A 28 -4.611 3.323 -10.594 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.045 5.585 -10.935 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.546 5.108 -9.161 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.290 3.597 -8.256 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.150 4.950 -8.069 1.00 0.00 H new ATOM 469 N VAL A 29 -3.918 1.433 -7.773 1.00 0.00 N ATOM 470 CA VAL A 29 -4.601 0.234 -7.295 1.00 0.00 C ATOM 471 C VAL A 29 -5.816 0.628 -6.456 1.00 0.00 C ATOM 472 O VAL A 29 -5.776 1.625 -5.731 1.00 0.00 O ATOM 473 CB VAL A 29 -3.661 -0.662 -6.450 1.00 0.00 C ATOM 474 CG1 VAL A 29 -4.349 -1.957 -6.048 1.00 0.00 C ATOM 475 CG2 VAL A 29 -2.383 -0.965 -7.208 1.00 0.00 C ATOM 0 H VAL A 29 -3.750 2.135 -7.052 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.919 -0.336 -8.168 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.410 -0.112 -5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.664 -2.564 -5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.236 -1.729 -5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.641 -2.507 -6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.738 -1.595 -6.596 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.624 -1.485 -8.135 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.867 -0.033 -7.438 1.00 0.00 H new ATOM 485 N GLU A 30 -6.901 -0.128 -6.580 1.00 0.00 N ATOM 486 CA GLU A 30 -8.095 0.125 -5.785 1.00 0.00 C ATOM 487 C GLU A 30 -8.067 -0.674 -4.500 1.00 0.00 C ATOM 488 O GLU A 30 -8.000 -1.906 -4.511 1.00 0.00 O ATOM 489 CB GLU A 30 -9.361 -0.213 -6.561 1.00 0.00 C ATOM 490 CG GLU A 30 -9.493 0.583 -7.839 1.00 0.00 C ATOM 491 CD GLU A 30 -10.794 0.338 -8.567 1.00 0.00 C ATOM 492 OE1 GLU A 30 -11.018 -0.798 -9.032 1.00 0.00 O ATOM 493 OE2 GLU A 30 -11.596 1.290 -8.690 1.00 0.00 O ATOM 0 H GLU A 30 -6.978 -0.918 -7.221 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.103 1.189 -5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.363 -1.277 -6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.230 -0.026 -5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.409 1.645 -7.607 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.663 0.335 -8.500 1.00 0.00 H new ATOM 500 N VAL A 31 -8.115 0.040 -3.396 1.00 0.00 N ATOM 501 CA VAL A 31 -8.141 -0.578 -2.081 1.00 0.00 C ATOM 502 C VAL A 31 -9.158 0.145 -1.208 1.00 0.00 C ATOM 503 O VAL A 31 -9.478 1.306 -1.456 1.00 0.00 O ATOM 504 CB VAL A 31 -6.752 -0.553 -1.392 1.00 0.00 C ATOM 505 CG1 VAL A 31 -5.668 -1.072 -2.321 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.407 0.846 -0.901 1.00 0.00 C ATOM 0 H VAL A 31 -8.137 1.060 -3.380 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.421 -1.623 -2.210 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.804 -1.215 -0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.706 -1.042 -1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.895 -2.099 -2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.624 -0.448 -3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.428 0.832 -0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.388 1.534 -1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.158 1.175 -0.182 1.00 0.00 H new ATOM 516 N ASP A 32 -9.690 -0.543 -0.216 1.00 0.00 N ATOM 517 CA ASP A 32 -10.612 0.089 0.723 1.00 0.00 C ATOM 518 C ASP A 32 -9.832 0.982 1.685 1.00 0.00 C ATOM 519 O ASP A 32 -8.659 0.737 1.949 1.00 0.00 O ATOM 520 CB ASP A 32 -11.403 -0.966 1.504 1.00 0.00 C ATOM 521 CG ASP A 32 -12.582 -0.372 2.253 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.369 0.249 3.313 1.00 0.00 O ATOM 523 OD2 ASP A 32 -13.723 -0.520 1.778 1.00 0.00 O ATOM 0 H ASP A 32 -9.506 -1.530 -0.036 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.321 0.696 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.762 -1.730 0.815 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.740 -1.462 2.212 1.00 0.00 H new ATOM 528 N ARG A 33 -10.472 2.019 2.202 1.00 0.00 N ATOM 529 CA ARG A 33 -9.802 2.933 3.124 1.00 0.00 C ATOM 530 C ARG A 33 -9.656 2.318 4.513 1.00 0.00 C ATOM 531 O ARG A 33 -8.823 2.753 5.306 1.00 0.00 O ATOM 532 CB ARG A 33 -10.535 4.274 3.199 1.00 0.00 C ATOM 533 CG ARG A 33 -12.050 4.161 3.274 1.00 0.00 C ATOM 534 CD ARG A 33 -12.695 5.536 3.366 1.00 0.00 C ATOM 535 NE ARG A 33 -12.139 6.469 2.382 1.00 0.00 N ATOM 536 CZ ARG A 33 -12.809 7.494 1.857 1.00 0.00 C ATOM 537 NH1 ARG A 33 -14.080 7.704 2.178 1.00 0.00 N ATOM 538 NH2 ARG A 33 -12.199 8.313 1.008 1.00 0.00 N ATOM 0 H ARG A 33 -11.445 2.251 2.004 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.800 3.114 2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.180 4.819 4.074 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.270 4.868 2.324 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.423 3.638 2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.331 3.565 4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.770 5.443 3.211 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.551 5.938 4.369 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.176 6.324 2.079 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.551 7.078 2.831 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.585 8.491 1.771 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.222 8.156 0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.707 9.099 0.603 1.00 0.00 H new ATOM 552 N THR A 34 -10.452 1.298 4.800 1.00 0.00 N ATOM 553 CA THR A 34 -10.345 0.580 6.063 1.00 0.00 C ATOM 554 C THR A 34 -9.514 -0.687 5.880 1.00 0.00 C ATOM 555 O THR A 34 -9.502 -1.573 6.737 1.00 0.00 O ATOM 556 CB THR A 34 -11.733 0.211 6.632 1.00 0.00 C ATOM 557 OG1 THR A 34 -12.437 -0.651 5.726 1.00 0.00 O ATOM 558 CG2 THR A 34 -12.558 1.463 6.897 1.00 0.00 C ATOM 0 H THR A 34 -11.179 0.949 4.176 1.00 0.00 H new ATOM 0 HA THR A 34 -9.853 1.243 6.775 1.00 0.00 H new ATOM 0 HB THR A 34 -11.580 -0.315 7.575 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.727 -0.137 4.944 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.531 1.179 7.297 1.00 0.00 H new ATOM 0 HG22 THR A 34 -12.039 2.095 7.618 1.00 0.00 H new ATOM 0 HG23 THR A 34 -12.695 2.012 5.966 1.00 0.00 H new ATOM 566 N GLU A 35 -8.824 -0.757 4.746 1.00 0.00 N ATOM 567 CA GLU A 35 -8.001 -1.909 4.406 1.00 0.00 C ATOM 568 C GLU A 35 -6.836 -2.046 5.380 1.00 0.00 C ATOM 569 O GLU A 35 -6.325 -1.050 5.897 1.00 0.00 O ATOM 570 CB GLU A 35 -7.454 -1.752 2.985 1.00 0.00 C ATOM 571 CG GLU A 35 -6.886 -3.025 2.387 1.00 0.00 C ATOM 572 CD GLU A 35 -7.968 -3.975 1.931 1.00 0.00 C ATOM 573 OE1 GLU A 35 -8.421 -4.808 2.741 1.00 0.00 O ATOM 574 OE2 GLU A 35 -8.368 -3.890 0.753 1.00 0.00 O ATOM 0 H GLU A 35 -8.820 -0.020 4.041 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.620 -2.804 4.468 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.253 -1.387 2.340 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.675 -0.989 2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.246 -2.773 1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.257 -3.522 3.125 1.00 0.00 H new ATOM 581 N THR A 36 -6.428 -3.278 5.632 1.00 0.00 N ATOM 582 CA THR A 36 -5.249 -3.539 6.436 1.00 0.00 C ATOM 583 C THR A 36 -3.988 -3.393 5.593 1.00 0.00 C ATOM 584 O THR A 36 -4.007 -3.649 4.386 1.00 0.00 O ATOM 585 CB THR A 36 -5.302 -4.949 7.046 1.00 0.00 C ATOM 586 OG1 THR A 36 -6.154 -5.795 6.253 1.00 0.00 O ATOM 587 CG2 THR A 36 -5.811 -4.901 8.476 1.00 0.00 C ATOM 0 H THR A 36 -6.899 -4.115 5.289 1.00 0.00 H new ATOM 0 HA THR A 36 -5.227 -2.809 7.245 1.00 0.00 H new ATOM 0 HB THR A 36 -4.291 -5.358 7.053 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.182 -6.692 6.646 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.840 -5.911 8.886 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.145 -4.283 9.079 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.814 -4.475 8.491 1.00 0.00 H new ATOM 595 N VAL A 37 -2.896 -2.977 6.225 1.00 0.00 N ATOM 596 CA VAL A 37 -1.625 -2.804 5.528 1.00 0.00 C ATOM 597 C VAL A 37 -1.178 -4.124 4.900 1.00 0.00 C ATOM 598 O VAL A 37 -0.557 -4.145 3.834 1.00 0.00 O ATOM 599 CB VAL A 37 -0.528 -2.280 6.477 1.00 0.00 C ATOM 600 CG1 VAL A 37 0.782 -2.052 5.729 1.00 0.00 C ATOM 601 CG2 VAL A 37 -0.986 -0.997 7.151 1.00 0.00 C ATOM 0 H VAL A 37 -2.865 -2.753 7.220 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.778 -2.064 4.742 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.350 -3.036 7.242 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.537 -1.683 6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.119 -2.992 5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.626 -1.319 4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.203 -0.637 7.818 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.192 -0.241 6.393 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.892 -1.191 7.726 1.00 0.00 H new ATOM 611 N SER A 38 -1.524 -5.221 5.560 1.00 0.00 N ATOM 612 CA SER A 38 -1.250 -6.554 5.048 1.00 0.00 C ATOM 613 C SER A 38 -1.953 -6.780 3.714 1.00 0.00 C ATOM 614 O SER A 38 -1.388 -7.363 2.791 1.00 0.00 O ATOM 615 CB SER A 38 -1.722 -7.590 6.061 1.00 0.00 C ATOM 616 OG SER A 38 -3.035 -7.290 6.508 1.00 0.00 O ATOM 0 H SER A 38 -2.001 -5.211 6.462 1.00 0.00 H new ATOM 0 HA SER A 38 -0.176 -6.653 4.889 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.703 -8.582 5.610 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.039 -7.613 6.910 1.00 0.00 H new ATOM 0 HG SER A 38 -3.322 -7.966 7.157 1.00 0.00 H new ATOM 622 N SER A 39 -3.177 -6.286 3.614 1.00 0.00 N ATOM 623 CA SER A 39 -3.996 -6.503 2.440 1.00 0.00 C ATOM 624 C SER A 39 -3.581 -5.549 1.332 1.00 0.00 C ATOM 625 O SER A 39 -3.911 -5.749 0.161 1.00 0.00 O ATOM 626 CB SER A 39 -5.464 -6.315 2.800 1.00 0.00 C ATOM 627 OG SER A 39 -5.814 -7.141 3.896 1.00 0.00 O ATOM 0 H SER A 39 -3.625 -5.728 4.341 1.00 0.00 H new ATOM 0 HA SER A 39 -3.855 -7.522 2.080 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.653 -5.271 3.049 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.089 -6.556 1.940 1.00 0.00 H new ATOM 0 HG SER A 39 -5.994 -6.583 4.681 1.00 0.00 H new ATOM 633 N LEU A 40 -2.864 -4.504 1.718 1.00 0.00 N ATOM 634 CA LEU A 40 -2.291 -3.574 0.765 1.00 0.00 C ATOM 635 C LEU A 40 -1.118 -4.243 0.056 1.00 0.00 C ATOM 636 O LEU A 40 -1.065 -4.295 -1.170 1.00 0.00 O ATOM 637 CB LEU A 40 -1.817 -2.308 1.483 1.00 0.00 C ATOM 638 CG LEU A 40 -1.546 -1.120 0.568 1.00 0.00 C ATOM 639 CD1 LEU A 40 -2.834 -0.692 -0.105 1.00 0.00 C ATOM 640 CD2 LEU A 40 -0.937 0.037 1.346 1.00 0.00 C ATOM 0 H LEU A 40 -2.666 -4.281 2.693 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.048 -3.294 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.570 -2.020 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.906 -2.539 2.035 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.828 -1.421 -0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.638 0.158 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.229 -1.520 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.563 -0.406 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.753 0.873 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.625 0.350 2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.004 -0.281 1.794 1.00 0.00 H new ATOM 652 N LYS A 41 -0.195 -4.780 0.856 1.00 0.00 N ATOM 653 CA LYS A 41 0.947 -5.530 0.335 1.00 0.00 C ATOM 654 C LYS A 41 0.461 -6.735 -0.465 1.00 0.00 C ATOM 655 O LYS A 41 1.046 -7.100 -1.486 1.00 0.00 O ATOM 656 CB LYS A 41 1.836 -6.006 1.487 1.00 0.00 C ATOM 657 CG LYS A 41 2.420 -4.887 2.331 1.00 0.00 C ATOM 658 CD LYS A 41 3.055 -5.435 3.599 1.00 0.00 C ATOM 659 CE LYS A 41 3.525 -4.326 4.529 1.00 0.00 C ATOM 660 NZ LYS A 41 4.007 -4.867 5.828 1.00 0.00 N ATOM 0 H LYS A 41 -0.218 -4.708 1.873 1.00 0.00 H new ATOM 0 HA LYS A 41 1.525 -4.875 -0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.254 -6.665 2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.653 -6.601 1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.166 -4.342 1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.636 -4.176 2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.335 -6.065 4.121 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.901 -6.069 3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.326 -3.763 4.049 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.707 -3.628 4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.676 -4.257 6.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.636 -5.829 5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.047 -4.894 5.829 1.00 0.00 H new ATOM 674 N ASP A 42 -0.613 -7.343 0.026 1.00 0.00 N ATOM 675 CA ASP A 42 -1.248 -8.482 -0.630 1.00 0.00 C ATOM 676 C ASP A 42 -1.605 -8.152 -2.078 1.00 0.00 C ATOM 677 O ASP A 42 -1.184 -8.847 -3.002 1.00 0.00 O ATOM 678 CB ASP A 42 -2.506 -8.879 0.155 1.00 0.00 C ATOM 679 CG ASP A 42 -3.352 -9.926 -0.540 1.00 0.00 C ATOM 680 OD1 ASP A 42 -4.261 -9.546 -1.303 1.00 0.00 O ATOM 681 OD2 ASP A 42 -3.141 -11.133 -0.288 1.00 0.00 O ATOM 0 H ASP A 42 -1.070 -7.060 0.893 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.548 -9.317 -0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.209 -9.256 1.134 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.112 -7.990 0.326 1.00 0.00 H new ATOM 686 N LYS A 43 -2.344 -7.064 -2.264 1.00 0.00 N ATOM 687 CA LYS A 43 -2.787 -6.653 -3.594 1.00 0.00 C ATOM 688 C LYS A 43 -1.603 -6.316 -4.494 1.00 0.00 C ATOM 689 O LYS A 43 -1.591 -6.674 -5.673 1.00 0.00 O ATOM 690 CB LYS A 43 -3.718 -5.444 -3.503 1.00 0.00 C ATOM 691 CG LYS A 43 -5.098 -5.762 -2.948 1.00 0.00 C ATOM 692 CD LYS A 43 -5.976 -4.520 -2.925 1.00 0.00 C ATOM 693 CE LYS A 43 -7.401 -4.840 -2.504 1.00 0.00 C ATOM 694 NZ LYS A 43 -7.466 -5.396 -1.128 1.00 0.00 N ATOM 0 H LYS A 43 -2.650 -6.449 -1.510 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.328 -7.493 -4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.251 -4.686 -2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.829 -5.009 -4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.570 -6.534 -3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.004 -6.164 -1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.551 -3.788 -2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.984 -4.063 -3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.006 -3.935 -2.558 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.833 -5.555 -3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.837 -6.367 -1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.513 -5.405 -0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.093 -4.806 -0.545 1.00 0.00 H new ATOM 708 N ILE A 44 -0.611 -5.634 -3.935 1.00 0.00 N ATOM 709 CA ILE A 44 0.563 -5.236 -4.700 1.00 0.00 C ATOM 710 C ILE A 44 1.356 -6.461 -5.155 1.00 0.00 C ATOM 711 O ILE A 44 1.905 -6.482 -6.254 1.00 0.00 O ATOM 712 CB ILE A 44 1.475 -4.292 -3.886 1.00 0.00 C ATOM 713 CG1 ILE A 44 0.695 -3.040 -3.469 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.707 -3.906 -4.695 1.00 0.00 C ATOM 715 CD1 ILE A 44 1.486 -2.082 -2.604 1.00 0.00 C ATOM 0 H ILE A 44 -0.596 -5.346 -2.957 1.00 0.00 H new ATOM 0 HA ILE A 44 0.210 -4.696 -5.579 1.00 0.00 H new ATOM 0 HB ILE A 44 1.807 -4.816 -2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.364 -2.515 -4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.201 -3.346 -2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.337 -3.241 -4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.269 -4.804 -4.953 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.398 -3.397 -5.608 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.865 -1.222 -2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.795 -2.588 -1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.368 -1.745 -3.148 1.00 0.00 H new ATOM 727 N HIS A 45 1.389 -7.488 -4.316 1.00 0.00 N ATOM 728 CA HIS A 45 2.097 -8.720 -4.643 1.00 0.00 C ATOM 729 C HIS A 45 1.368 -9.501 -5.734 1.00 0.00 C ATOM 730 O HIS A 45 1.986 -10.224 -6.514 1.00 0.00 O ATOM 731 CB HIS A 45 2.254 -9.592 -3.398 1.00 0.00 C ATOM 732 CG HIS A 45 2.983 -10.871 -3.663 1.00 0.00 C ATOM 733 ND1 HIS A 45 4.321 -10.924 -3.976 1.00 0.00 N ATOM 734 CD2 HIS A 45 2.540 -12.148 -3.690 1.00 0.00 C ATOM 735 CE1 HIS A 45 4.672 -12.179 -4.183 1.00 0.00 C ATOM 736 NE2 HIS A 45 3.610 -12.945 -4.015 1.00 0.00 N ATOM 0 H HIS A 45 0.934 -7.493 -3.403 1.00 0.00 H new ATOM 0 HA HIS A 45 3.085 -8.448 -5.016 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.788 -9.029 -2.633 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.267 -9.820 -2.995 1.00 0.00 H new ATOM 0 HD1 HIS A 45 4.945 -10.119 -4.038 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.531 -12.480 -3.493 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.662 -12.522 -4.446 1.00 0.00 H new ATOM 745 N ILE A 46 0.053 -9.376 -5.764 1.00 0.00 N ATOM 746 CA ILE A 46 -0.741 -10.008 -6.806 1.00 0.00 C ATOM 747 C ILE A 46 -0.481 -9.310 -8.137 1.00 0.00 C ATOM 748 O ILE A 46 -0.578 -9.913 -9.206 1.00 0.00 O ATOM 749 CB ILE A 46 -2.244 -9.971 -6.455 1.00 0.00 C ATOM 750 CG1 ILE A 46 -2.477 -10.712 -5.135 1.00 0.00 C ATOM 751 CG2 ILE A 46 -3.084 -10.585 -7.570 1.00 0.00 C ATOM 752 CD1 ILE A 46 -3.856 -10.507 -4.560 1.00 0.00 C ATOM 0 H ILE A 46 -0.488 -8.845 -5.082 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.447 -11.055 -6.887 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.553 -8.932 -6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.314 -11.778 -5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.736 -10.381 -4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.138 -10.545 -7.295 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.928 -10.026 -8.493 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.787 -11.623 -7.720 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.947 -11.062 -3.626 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.016 -9.446 -4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.603 -10.865 -5.269 1.00 0.00 H new ATOM 764 N VAL A 47 -0.125 -8.036 -8.053 1.00 0.00 N ATOM 765 CA VAL A 47 0.259 -7.263 -9.223 1.00 0.00 C ATOM 766 C VAL A 47 1.689 -7.578 -9.651 1.00 0.00 C ATOM 767 O VAL A 47 1.929 -8.043 -10.768 1.00 0.00 O ATOM 768 CB VAL A 47 0.146 -5.742 -8.962 1.00 0.00 C ATOM 769 CG1 VAL A 47 0.867 -4.940 -10.043 1.00 0.00 C ATOM 770 CG2 VAL A 47 -1.314 -5.323 -8.871 1.00 0.00 C ATOM 0 H VAL A 47 -0.095 -7.513 -7.178 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.431 -7.544 -10.019 1.00 0.00 H new ATOM 0 HB VAL A 47 0.630 -5.529 -8.009 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.770 -3.875 -9.832 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.922 -5.213 -10.055 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.424 -5.159 -11.015 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.374 -4.250 -8.687 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.819 -5.559 -9.807 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.796 -5.859 -8.053 1.00 0.00 H new ATOM 780 N GLU A 48 2.636 -7.334 -8.757 1.00 0.00 N ATOM 781 CA GLU A 48 4.038 -7.363 -9.122 1.00 0.00 C ATOM 782 C GLU A 48 4.762 -8.550 -8.486 1.00 0.00 C ATOM 783 O GLU A 48 4.383 -9.030 -7.418 1.00 0.00 O ATOM 784 CB GLU A 48 4.690 -6.028 -8.740 1.00 0.00 C ATOM 785 CG GLU A 48 5.951 -5.719 -9.521 1.00 0.00 C ATOM 786 CD GLU A 48 5.845 -6.133 -10.975 1.00 0.00 C ATOM 787 OE1 GLU A 48 5.350 -5.333 -11.789 1.00 0.00 O ATOM 788 OE2 GLU A 48 6.242 -7.271 -11.303 1.00 0.00 O ATOM 0 H GLU A 48 2.456 -7.115 -7.777 1.00 0.00 H new ATOM 0 HA GLU A 48 4.119 -7.497 -10.201 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.970 -5.225 -8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.926 -6.041 -7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.158 -4.650 -9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.795 -6.232 -9.060 1.00 0.00 H new ATOM 795 N ASN A 49 5.818 -8.999 -9.161 1.00 0.00 N ATOM 796 CA ASN A 49 6.529 -10.230 -8.806 1.00 0.00 C ATOM 797 C ASN A 49 7.342 -10.070 -7.514 1.00 0.00 C ATOM 798 O ASN A 49 7.877 -11.040 -6.979 1.00 0.00 O ATOM 799 CB ASN A 49 7.439 -10.641 -9.979 1.00 0.00 C ATOM 800 CG ASN A 49 8.145 -11.973 -9.776 1.00 0.00 C ATOM 801 OD1 ASN A 49 7.573 -13.034 -10.026 1.00 0.00 O ATOM 802 ND2 ASN A 49 9.410 -11.928 -9.381 1.00 0.00 N ATOM 0 H ASN A 49 6.208 -8.519 -9.973 1.00 0.00 H new ATOM 0 HA ASN A 49 5.795 -11.013 -8.619 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.841 -10.693 -10.889 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.188 -9.864 -10.134 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.942 -12.792 -9.275 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.851 -11.030 -9.183 1.00 0.00 H new ATOM 809 N THR A 50 7.426 -8.848 -7.010 1.00 0.00 N ATOM 810 CA THR A 50 8.184 -8.571 -5.806 1.00 0.00 C ATOM 811 C THR A 50 7.505 -9.158 -4.564 1.00 0.00 C ATOM 812 O THR A 50 6.331 -8.896 -4.291 1.00 0.00 O ATOM 813 CB THR A 50 8.387 -7.057 -5.617 1.00 0.00 C ATOM 814 OG1 THR A 50 8.922 -6.483 -6.817 1.00 0.00 O ATOM 815 CG2 THR A 50 9.333 -6.777 -4.458 1.00 0.00 C ATOM 0 H THR A 50 6.975 -8.031 -7.421 1.00 0.00 H new ATOM 0 HA THR A 50 9.157 -9.048 -5.926 1.00 0.00 H new ATOM 0 HB THR A 50 7.419 -6.609 -5.394 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.047 -5.519 -6.691 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.461 -5.700 -4.344 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.917 -7.192 -3.540 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.300 -7.238 -4.658 1.00 0.00 H new ATOM 823 N PRO A 51 8.239 -10.007 -3.829 1.00 0.00 N ATOM 824 CA PRO A 51 7.795 -10.555 -2.542 1.00 0.00 C ATOM 825 C PRO A 51 7.446 -9.464 -1.530 1.00 0.00 C ATOM 826 O PRO A 51 8.114 -8.429 -1.457 1.00 0.00 O ATOM 827 CB PRO A 51 9.006 -11.353 -2.053 1.00 0.00 C ATOM 828 CG PRO A 51 9.785 -11.672 -3.283 1.00 0.00 C ATOM 829 CD PRO A 51 9.556 -10.525 -4.228 1.00 0.00 C ATOM 0 HA PRO A 51 6.887 -11.148 -2.652 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.602 -10.773 -1.349 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.697 -12.261 -1.536 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.845 -11.784 -3.055 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.452 -12.612 -3.723 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.332 -9.765 -4.132 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.559 -10.855 -5.267 1.00 0.00 H new ATOM 837 N ILE A 52 6.415 -9.725 -0.735 1.00 0.00 N ATOM 838 CA ILE A 52 5.917 -8.769 0.250 1.00 0.00 C ATOM 839 C ILE A 52 6.981 -8.410 1.290 1.00 0.00 C ATOM 840 O ILE A 52 7.120 -7.250 1.666 1.00 0.00 O ATOM 841 CB ILE A 52 4.661 -9.325 0.962 1.00 0.00 C ATOM 842 CG1 ILE A 52 3.493 -9.428 -0.025 1.00 0.00 C ATOM 843 CG2 ILE A 52 4.283 -8.464 2.158 1.00 0.00 C ATOM 844 CD1 ILE A 52 2.207 -9.940 0.591 1.00 0.00 C ATOM 0 H ILE A 52 5.900 -10.605 -0.754 1.00 0.00 H new ATOM 0 HA ILE A 52 5.655 -7.860 -0.292 1.00 0.00 H new ATOM 0 HB ILE A 52 4.892 -10.324 1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.310 -8.445 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.780 -10.089 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.397 -8.878 2.639 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.108 -8.448 2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.073 -7.448 1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.430 -9.984 -0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.371 -10.937 0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.893 -9.268 1.390 1.00 0.00 H new ATOM 856 N LYS A 53 7.741 -9.400 1.735 1.00 0.00 N ATOM 857 CA LYS A 53 8.729 -9.185 2.789 1.00 0.00 C ATOM 858 C LYS A 53 9.942 -8.400 2.285 1.00 0.00 C ATOM 859 O LYS A 53 10.792 -7.985 3.075 1.00 0.00 O ATOM 860 CB LYS A 53 9.182 -10.518 3.386 1.00 0.00 C ATOM 861 CG LYS A 53 8.060 -11.304 4.051 1.00 0.00 C ATOM 862 CD LYS A 53 8.598 -12.498 4.827 1.00 0.00 C ATOM 863 CE LYS A 53 7.476 -13.313 5.456 1.00 0.00 C ATOM 864 NZ LYS A 53 6.642 -14.003 4.432 1.00 0.00 N ATOM 0 H LYS A 53 7.695 -10.357 1.386 1.00 0.00 H new ATOM 0 HA LYS A 53 8.245 -8.591 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.623 -11.128 2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.966 -10.330 4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.507 -10.650 4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.357 -11.649 3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.179 -13.134 4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.276 -12.150 5.606 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.902 -14.052 6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.844 -12.657 6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.990 -14.663 4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.095 -13.298 3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.258 -14.530 3.780 1.00 0.00 H new ATOM 878 N ARG A 54 10.029 -8.207 0.976 1.00 0.00 N ATOM 879 CA ARG A 54 11.159 -7.502 0.388 1.00 0.00 C ATOM 880 C ARG A 54 10.802 -6.054 0.066 1.00 0.00 C ATOM 881 O ARG A 54 11.613 -5.144 0.255 1.00 0.00 O ATOM 882 CB ARG A 54 11.629 -8.215 -0.876 1.00 0.00 C ATOM 883 CG ARG A 54 12.177 -9.606 -0.616 1.00 0.00 C ATOM 884 CD ARG A 54 12.737 -10.224 -1.884 1.00 0.00 C ATOM 885 NE ARG A 54 13.359 -11.527 -1.633 1.00 0.00 N ATOM 886 CZ ARG A 54 14.506 -11.933 -2.183 1.00 0.00 C ATOM 887 NH1 ARG A 54 15.163 -11.149 -3.025 1.00 0.00 N ATOM 888 NH2 ARG A 54 14.997 -13.128 -1.888 1.00 0.00 N ATOM 0 H ARG A 54 9.333 -8.528 0.303 1.00 0.00 H new ATOM 0 HA ARG A 54 11.967 -7.499 1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.796 -8.286 -1.575 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.400 -7.613 -1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.958 -9.555 0.142 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.387 -10.242 -0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.937 -10.339 -2.615 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.473 -9.549 -2.321 1.00 0.00 H new ATOM 0 HE ARG A 54 12.884 -12.166 -0.996 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.793 -10.227 -3.258 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.039 -11.467 -3.441 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.499 -13.738 -1.240 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.873 -13.437 -2.309 1.00 0.00 H new ATOM 902 N MET A 55 9.593 -5.851 -0.439 1.00 0.00 N ATOM 903 CA MET A 55 9.111 -4.510 -0.758 1.00 0.00 C ATOM 904 C MET A 55 8.503 -3.845 0.475 1.00 0.00 C ATOM 905 O MET A 55 7.600 -4.388 1.111 1.00 0.00 O ATOM 906 CB MET A 55 8.093 -4.550 -1.905 1.00 0.00 C ATOM 907 CG MET A 55 6.868 -5.408 -1.635 1.00 0.00 C ATOM 908 SD MET A 55 5.733 -5.451 -3.037 1.00 0.00 S ATOM 909 CE MET A 55 4.429 -6.490 -2.384 1.00 0.00 C ATOM 0 H MET A 55 8.926 -6.597 -0.637 1.00 0.00 H new ATOM 0 HA MET A 55 9.965 -3.916 -1.083 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.767 -3.532 -2.120 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.590 -4.921 -2.801 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.185 -6.423 -1.397 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.345 -5.024 -0.760 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.531 -6.372 -2.991 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.748 -7.532 -2.407 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.212 -6.199 -1.356 1.00 0.00 H new ATOM 919 N GLN A 56 9.004 -2.667 0.815 1.00 0.00 N ATOM 920 CA GLN A 56 8.533 -1.958 1.992 1.00 0.00 C ATOM 921 C GLN A 56 7.773 -0.700 1.588 1.00 0.00 C ATOM 922 O GLN A 56 8.249 0.091 0.772 1.00 0.00 O ATOM 923 CB GLN A 56 9.713 -1.623 2.903 1.00 0.00 C ATOM 924 CG GLN A 56 9.300 -1.168 4.290 1.00 0.00 C ATOM 925 CD GLN A 56 10.400 -1.372 5.310 1.00 0.00 C ATOM 926 OE1 GLN A 56 11.233 -0.497 5.534 1.00 0.00 O ATOM 927 NE2 GLN A 56 10.420 -2.542 5.925 1.00 0.00 N ATOM 0 H GLN A 56 9.735 -2.184 0.293 1.00 0.00 H new ATOM 0 HA GLN A 56 7.845 -2.599 2.543 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.352 -2.501 2.993 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.311 -0.840 2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.027 -0.113 4.258 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.412 -1.718 4.601 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.710 -3.243 5.711 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.145 -2.744 6.613 1.00 0.00 H new ATOM 936 N LEU A 57 6.593 -0.524 2.165 1.00 0.00 N ATOM 937 CA LEU A 57 5.710 0.570 1.790 1.00 0.00 C ATOM 938 C LEU A 57 6.012 1.817 2.608 1.00 0.00 C ATOM 939 O LEU A 57 6.231 1.737 3.817 1.00 0.00 O ATOM 940 CB LEU A 57 4.248 0.168 2.011 1.00 0.00 C ATOM 941 CG LEU A 57 3.823 -1.178 1.416 1.00 0.00 C ATOM 942 CD1 LEU A 57 2.362 -1.455 1.736 1.00 0.00 C ATOM 943 CD2 LEU A 57 4.050 -1.207 -0.087 1.00 0.00 C ATOM 0 H LEU A 57 6.224 -1.129 2.899 1.00 0.00 H new ATOM 0 HA LEU A 57 5.877 0.789 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.057 0.145 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.611 0.946 1.590 1.00 0.00 H new ATOM 0 HG LEU A 57 4.438 -1.958 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.071 -2.414 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.225 -1.484 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.741 -0.666 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.740 -2.174 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.465 -0.417 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.108 -1.051 -0.298 1.00 0.00 H new ATOM 955 N TYR A 58 6.033 2.960 1.945 1.00 0.00 N ATOM 956 CA TYR A 58 6.215 4.238 2.615 1.00 0.00 C ATOM 957 C TYR A 58 5.130 5.226 2.202 1.00 0.00 C ATOM 958 O TYR A 58 4.958 5.518 1.019 1.00 0.00 O ATOM 959 CB TYR A 58 7.598 4.825 2.306 1.00 0.00 C ATOM 960 CG TYR A 58 8.736 4.119 3.012 1.00 0.00 C ATOM 961 CD1 TYR A 58 9.290 2.953 2.498 1.00 0.00 C ATOM 962 CD2 TYR A 58 9.254 4.622 4.198 1.00 0.00 C ATOM 963 CE1 TYR A 58 10.328 2.311 3.146 1.00 0.00 C ATOM 964 CE2 TYR A 58 10.292 3.987 4.850 1.00 0.00 C ATOM 965 CZ TYR A 58 10.826 2.830 4.322 1.00 0.00 C ATOM 966 OH TYR A 58 11.861 2.196 4.972 1.00 0.00 O ATOM 0 H TYR A 58 5.925 3.030 0.933 1.00 0.00 H new ATOM 0 HA TYR A 58 6.140 4.063 3.688 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.768 4.782 1.230 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.606 5.878 2.588 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.903 2.542 1.577 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.838 5.526 4.618 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.748 1.406 2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.684 4.395 5.770 1.00 0.00 H new ATOM 0 HH TYR A 58 11.589 1.285 5.210 1.00 0.00 H new ATOM 976 N TYR A 59 4.396 5.727 3.182 1.00 0.00 N ATOM 977 CA TYR A 59 3.371 6.731 2.936 1.00 0.00 C ATOM 978 C TYR A 59 3.902 8.103 3.319 1.00 0.00 C ATOM 979 O TYR A 59 4.054 8.400 4.504 1.00 0.00 O ATOM 980 CB TYR A 59 2.101 6.405 3.735 1.00 0.00 C ATOM 981 CG TYR A 59 1.054 7.502 3.712 1.00 0.00 C ATOM 982 CD1 TYR A 59 0.269 7.724 2.588 1.00 0.00 C ATOM 983 CD2 TYR A 59 0.850 8.313 4.822 1.00 0.00 C ATOM 984 CE1 TYR A 59 -0.686 8.726 2.569 1.00 0.00 C ATOM 985 CE2 TYR A 59 -0.101 9.313 4.812 1.00 0.00 C ATOM 986 CZ TYR A 59 -0.868 9.516 3.685 1.00 0.00 C ATOM 987 OH TYR A 59 -1.810 10.524 3.674 1.00 0.00 O ATOM 0 H TYR A 59 4.491 5.454 4.160 1.00 0.00 H new ATOM 0 HA TYR A 59 3.116 6.730 1.876 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.661 5.490 3.339 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.378 6.204 4.770 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.406 7.104 1.714 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.447 8.158 5.709 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.285 8.888 1.685 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.244 9.934 5.684 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.642 10.198 4.076 1.00 0.00 H new ATOM 997 N SER A 60 4.191 8.922 2.311 1.00 0.00 N ATOM 998 CA SER A 60 4.801 10.238 2.509 1.00 0.00 C ATOM 999 C SER A 60 6.210 10.086 3.098 1.00 0.00 C ATOM 1000 O SER A 60 7.210 10.164 2.379 1.00 0.00 O ATOM 1001 CB SER A 60 3.922 11.118 3.413 1.00 0.00 C ATOM 1002 OG SER A 60 4.376 12.461 3.430 1.00 0.00 O ATOM 0 H SER A 60 4.010 8.694 1.333 1.00 0.00 H new ATOM 0 HA SER A 60 4.882 10.731 1.540 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.891 11.086 3.062 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.926 10.718 4.427 1.00 0.00 H new ATOM 0 HG SER A 60 3.796 12.995 4.012 1.00 0.00 H new ATOM 1008 N GLY A 61 6.277 9.860 4.401 1.00 0.00 N ATOM 1009 CA GLY A 61 7.536 9.598 5.062 1.00 0.00 C ATOM 1010 C GLY A 61 7.362 8.580 6.164 1.00 0.00 C ATOM 1011 O GLY A 61 8.275 8.330 6.949 1.00 0.00 O ATOM 0 H GLY A 61 5.467 9.854 5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.264 9.234 4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.934 10.524 5.476 1.00 0.00 H new ATOM 1015 N ILE A 62 6.175 7.992 6.213 1.00 0.00 N ATOM 1016 CA ILE A 62 5.829 7.028 7.243 1.00 0.00 C ATOM 1017 C ILE A 62 6.070 5.616 6.736 1.00 0.00 C ATOM 1018 O ILE A 62 5.550 5.227 5.688 1.00 0.00 O ATOM 1019 CB ILE A 62 4.350 7.172 7.662 1.00 0.00 C ATOM 1020 CG1 ILE A 62 4.055 8.619 8.058 1.00 0.00 C ATOM 1021 CG2 ILE A 62 4.023 6.225 8.812 1.00 0.00 C ATOM 1022 CD1 ILE A 62 2.581 8.910 8.232 1.00 0.00 C ATOM 0 H ILE A 62 5.428 8.170 5.541 1.00 0.00 H new ATOM 0 HA ILE A 62 6.460 7.222 8.110 1.00 0.00 H new ATOM 0 HB ILE A 62 3.720 6.906 6.813 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.574 8.845 8.989 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.461 9.285 7.297 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.976 6.341 9.093 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.202 5.197 8.499 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.656 6.459 9.668 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.447 9.955 8.513 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.059 8.716 7.295 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.173 8.269 9.014 1.00 0.00 H new ATOM 1034 N GLU A 63 6.860 4.860 7.477 1.00 0.00 N ATOM 1035 CA GLU A 63 7.187 3.495 7.100 1.00 0.00 C ATOM 1036 C GLU A 63 6.039 2.558 7.463 1.00 0.00 C ATOM 1037 O GLU A 63 5.741 2.347 8.639 1.00 0.00 O ATOM 1038 CB GLU A 63 8.482 3.064 7.791 1.00 0.00 C ATOM 1039 CG GLU A 63 9.002 1.708 7.346 1.00 0.00 C ATOM 1040 CD GLU A 63 10.348 1.383 7.955 1.00 0.00 C ATOM 1041 OE1 GLU A 63 11.337 2.079 7.630 1.00 0.00 O ATOM 1042 OE2 GLU A 63 10.430 0.439 8.766 1.00 0.00 O ATOM 0 H GLU A 63 7.290 5.170 8.349 1.00 0.00 H new ATOM 0 HA GLU A 63 7.336 3.446 6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.249 3.815 7.602 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.316 3.042 8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.284 0.937 7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.083 1.691 6.259 1.00 0.00 H new ATOM 1049 N LEU A 64 5.392 2.003 6.448 1.00 0.00 N ATOM 1050 CA LEU A 64 4.239 1.141 6.661 1.00 0.00 C ATOM 1051 C LEU A 64 4.687 -0.282 6.971 1.00 0.00 C ATOM 1052 O LEU A 64 4.657 -1.166 6.112 1.00 0.00 O ATOM 1053 CB LEU A 64 3.319 1.153 5.435 1.00 0.00 C ATOM 1054 CG LEU A 64 2.882 2.543 4.961 1.00 0.00 C ATOM 1055 CD1 LEU A 64 1.945 2.431 3.769 1.00 0.00 C ATOM 1056 CD2 LEU A 64 2.215 3.313 6.090 1.00 0.00 C ATOM 0 H LEU A 64 5.646 2.134 5.469 1.00 0.00 H new ATOM 0 HA LEU A 64 3.680 1.525 7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.829 0.650 4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.428 0.568 5.663 1.00 0.00 H new ATOM 0 HG LEU A 64 3.772 3.091 4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.645 3.428 3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.456 1.923 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.061 1.861 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.913 4.297 5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.337 2.767 6.434 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.917 3.428 6.916 1.00 0.00 H new ATOM 1068 N ALA A 65 5.128 -0.485 8.201 1.00 0.00 N ATOM 1069 CA ALA A 65 5.612 -1.784 8.635 1.00 0.00 C ATOM 1070 C ALA A 65 4.479 -2.634 9.198 1.00 0.00 C ATOM 1071 O ALA A 65 4.264 -3.760 8.746 1.00 0.00 O ATOM 1072 CB ALA A 65 6.711 -1.610 9.670 1.00 0.00 C ATOM 0 H ALA A 65 5.161 0.238 8.920 1.00 0.00 H new ATOM 0 HA ALA A 65 6.019 -2.304 7.768 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.068 -2.589 9.990 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.536 -1.048 9.233 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.318 -1.068 10.530 1.00 0.00 H new ATOM 1078 N ASP A 66 3.754 -2.080 10.171 1.00 0.00 N ATOM 1079 CA ASP A 66 2.686 -2.806 10.863 1.00 0.00 C ATOM 1080 C ASP A 66 1.608 -3.276 9.896 1.00 0.00 C ATOM 1081 O ASP A 66 0.869 -2.475 9.327 1.00 0.00 O ATOM 1082 CB ASP A 66 2.056 -1.940 11.959 1.00 0.00 C ATOM 1083 CG ASP A 66 3.013 -1.642 13.096 1.00 0.00 C ATOM 1084 OD1 ASP A 66 3.373 -2.581 13.838 1.00 0.00 O ATOM 1085 OD2 ASP A 66 3.393 -0.470 13.262 1.00 0.00 O ATOM 0 H ASP A 66 3.888 -1.124 10.500 1.00 0.00 H new ATOM 0 HA ASP A 66 3.142 -3.684 11.321 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.714 -1.001 11.522 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.176 -2.447 12.355 1.00 0.00 H new ATOM 1090 N ASP A 67 1.521 -4.587 9.738 1.00 0.00 N ATOM 1091 CA ASP A 67 0.584 -5.207 8.809 1.00 0.00 C ATOM 1092 C ASP A 67 -0.830 -5.199 9.362 1.00 0.00 C ATOM 1093 O ASP A 67 -1.800 -5.059 8.618 1.00 0.00 O ATOM 1094 CB ASP A 67 1.006 -6.649 8.532 1.00 0.00 C ATOM 1095 CG ASP A 67 2.289 -6.737 7.738 1.00 0.00 C ATOM 1096 OD1 ASP A 67 2.224 -6.689 6.493 1.00 0.00 O ATOM 1097 OD2 ASP A 67 3.371 -6.847 8.350 1.00 0.00 O ATOM 0 H ASP A 67 2.098 -5.254 10.250 1.00 0.00 H new ATOM 0 HA ASP A 67 0.598 -4.629 7.885 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.132 -7.175 9.478 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.211 -7.158 7.988 1.00 0.00 H new ATOM 1102 N TYR A 68 -0.930 -5.345 10.675 1.00 0.00 N ATOM 1103 CA TYR A 68 -2.217 -5.464 11.352 1.00 0.00 C ATOM 1104 C TYR A 68 -2.928 -4.120 11.468 1.00 0.00 C ATOM 1105 O TYR A 68 -4.063 -4.050 11.942 1.00 0.00 O ATOM 1106 CB TYR A 68 -2.020 -6.069 12.743 1.00 0.00 C ATOM 1107 CG TYR A 68 -1.003 -5.328 13.586 1.00 0.00 C ATOM 1108 CD1 TYR A 68 0.348 -5.634 13.496 1.00 0.00 C ATOM 1109 CD2 TYR A 68 -1.388 -4.315 14.455 1.00 0.00 C ATOM 1110 CE1 TYR A 68 1.283 -4.957 14.245 1.00 0.00 C ATOM 1111 CE2 TYR A 68 -0.456 -3.628 15.208 1.00 0.00 C ATOM 1112 CZ TYR A 68 0.879 -3.955 15.101 1.00 0.00 C ATOM 1113 OH TYR A 68 1.814 -3.268 15.839 1.00 0.00 O ATOM 0 H TYR A 68 -0.126 -5.384 11.301 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.846 -6.119 10.750 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.976 -6.077 13.266 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.705 -7.107 12.638 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.671 -6.417 12.826 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.434 -4.060 14.543 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.330 -5.210 14.162 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -0.771 -2.840 15.876 1.00 0.00 H new ATOM 0 HH TYR A 68 2.613 -3.114 15.293 1.00 0.00 H new ATOM 1123 N ARG A 69 -2.257 -3.057 11.053 1.00 0.00 N ATOM 1124 CA ARG A 69 -2.843 -1.727 11.100 1.00 0.00 C ATOM 1125 C ARG A 69 -3.711 -1.469 9.882 1.00 0.00 C ATOM 1126 O ARG A 69 -3.609 -2.167 8.868 1.00 0.00 O ATOM 1127 CB ARG A 69 -1.765 -0.650 11.182 1.00 0.00 C ATOM 1128 CG ARG A 69 -1.320 -0.319 12.594 1.00 0.00 C ATOM 1129 CD ARG A 69 -0.409 0.891 12.593 1.00 0.00 C ATOM 1130 NE ARG A 69 -0.077 1.349 13.934 1.00 0.00 N ATOM 1131 CZ ARG A 69 0.900 2.215 14.199 1.00 0.00 C ATOM 1132 NH1 ARG A 69 1.675 2.661 13.218 1.00 0.00 N ATOM 1133 NH2 ARG A 69 1.108 2.617 15.446 1.00 0.00 N ATOM 0 H ARG A 69 -1.308 -3.089 10.681 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.460 -1.682 11.997 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.898 -0.976 10.607 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.138 0.258 10.709 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.191 -0.125 13.220 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.800 -1.173 13.027 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.510 0.648 12.059 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.890 1.702 12.046 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.623 0.986 14.715 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.522 2.341 12.262 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.423 3.324 13.420 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.520 2.263 16.201 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.856 3.280 15.650 1.00 0.00 H new ATOM 1147 N ASN A 70 -4.547 -0.455 9.989 1.00 0.00 N ATOM 1148 CA ASN A 70 -5.424 -0.058 8.899 1.00 0.00 C ATOM 1149 C ASN A 70 -4.841 1.137 8.166 1.00 0.00 C ATOM 1150 O ASN A 70 -4.098 1.930 8.748 1.00 0.00 O ATOM 1151 CB ASN A 70 -6.814 0.305 9.423 1.00 0.00 C ATOM 1152 CG ASN A 70 -7.636 -0.895 9.846 1.00 0.00 C ATOM 1153 OD1 ASN A 70 -7.107 -1.917 10.283 1.00 0.00 O ATOM 1154 ND2 ASN A 70 -8.948 -0.767 9.743 1.00 0.00 N ATOM 0 H ASN A 70 -4.639 0.116 10.829 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.512 -0.902 8.215 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.708 0.980 10.272 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.354 0.850 8.649 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.559 -1.531 10.031 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.349 0.096 9.376 1.00 0.00 H new ATOM 1161 N LEU A 71 -5.181 1.268 6.894 1.00 0.00 N ATOM 1162 CA LEU A 71 -4.710 2.384 6.088 1.00 0.00 C ATOM 1163 C LEU A 71 -5.273 3.703 6.612 1.00 0.00 C ATOM 1164 O LEU A 71 -4.587 4.728 6.613 1.00 0.00 O ATOM 1165 CB LEU A 71 -5.108 2.196 4.621 1.00 0.00 C ATOM 1166 CG LEU A 71 -4.626 0.897 3.969 1.00 0.00 C ATOM 1167 CD1 LEU A 71 -4.986 0.879 2.491 1.00 0.00 C ATOM 1168 CD2 LEU A 71 -3.126 0.718 4.157 1.00 0.00 C ATOM 0 H LEU A 71 -5.784 0.613 6.395 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.623 2.414 6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.195 2.237 4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.719 3.037 4.046 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.129 0.063 4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.636 -0.051 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.068 0.951 2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.512 1.724 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.809 -0.212 3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.599 1.555 3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.894 0.682 5.222 1.00 0.00 H new ATOM 1180 N ASN A 72 -6.522 3.667 7.073 1.00 0.00 N ATOM 1181 CA ASN A 72 -7.178 4.854 7.620 1.00 0.00 C ATOM 1182 C ASN A 72 -6.420 5.409 8.824 1.00 0.00 C ATOM 1183 O ASN A 72 -6.465 6.609 9.087 1.00 0.00 O ATOM 1184 CB ASN A 72 -8.640 4.563 7.996 1.00 0.00 C ATOM 1185 CG ASN A 72 -8.794 3.448 9.016 1.00 0.00 C ATOM 1186 OD1 ASN A 72 -8.912 2.278 8.657 1.00 0.00 O ATOM 1187 ND2 ASN A 72 -8.812 3.803 10.294 1.00 0.00 N ATOM 0 H ASN A 72 -7.101 2.827 7.079 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.171 5.612 6.837 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.093 5.472 8.392 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.193 4.299 7.095 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.927 3.094 11.019 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.711 4.785 10.552 1.00 0.00 H new ATOM 1194 N GLU A 73 -5.713 4.541 9.545 1.00 0.00 N ATOM 1195 CA GLU A 73 -4.954 4.963 10.720 1.00 0.00 C ATOM 1196 C GLU A 73 -3.795 5.881 10.330 1.00 0.00 C ATOM 1197 O GLU A 73 -3.413 6.766 11.094 1.00 0.00 O ATOM 1198 CB GLU A 73 -4.422 3.749 11.489 1.00 0.00 C ATOM 1199 CG GLU A 73 -5.512 2.873 12.083 1.00 0.00 C ATOM 1200 CD GLU A 73 -4.963 1.753 12.945 1.00 0.00 C ATOM 1201 OE1 GLU A 73 -4.650 2.002 14.125 1.00 0.00 O ATOM 1202 OE2 GLU A 73 -4.852 0.612 12.449 1.00 0.00 O ATOM 0 H GLU A 73 -5.650 3.544 9.337 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.633 5.520 11.366 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.809 3.146 10.819 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.770 4.096 12.291 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.182 3.490 12.681 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.108 2.446 11.276 1.00 0.00 H new ATOM 1209 N TYR A 74 -3.253 5.682 9.132 1.00 0.00 N ATOM 1210 CA TYR A 74 -2.106 6.461 8.668 1.00 0.00 C ATOM 1211 C TYR A 74 -2.549 7.758 7.999 1.00 0.00 C ATOM 1212 O TYR A 74 -1.721 8.605 7.660 1.00 0.00 O ATOM 1213 CB TYR A 74 -1.263 5.647 7.685 1.00 0.00 C ATOM 1214 CG TYR A 74 -0.627 4.414 8.283 1.00 0.00 C ATOM 1215 CD1 TYR A 74 0.526 4.507 9.050 1.00 0.00 C ATOM 1216 CD2 TYR A 74 -1.176 3.156 8.073 1.00 0.00 C ATOM 1217 CE1 TYR A 74 1.116 3.380 9.590 1.00 0.00 C ATOM 1218 CE2 TYR A 74 -0.593 2.026 8.610 1.00 0.00 C ATOM 1219 CZ TYR A 74 0.553 2.142 9.367 1.00 0.00 C ATOM 1220 OH TYR A 74 1.138 1.017 9.901 1.00 0.00 O ATOM 0 H TYR A 74 -3.589 4.988 8.464 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.506 6.707 9.544 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.892 5.347 6.847 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.478 6.287 7.281 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.969 5.476 9.228 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.074 3.060 7.480 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.014 3.469 10.184 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.033 1.055 8.438 1.00 0.00 H new ATOM 0 HH TYR A 74 1.938 1.273 10.405 1.00 0.00 H new ATOM 1230 N GLY A 75 -3.850 7.910 7.812 1.00 0.00 N ATOM 1231 CA GLY A 75 -4.363 9.092 7.147 1.00 0.00 C ATOM 1232 C GLY A 75 -4.562 8.870 5.663 1.00 0.00 C ATOM 1233 O GLY A 75 -4.528 9.811 4.870 1.00 0.00 O ATOM 0 H GLY A 75 -4.560 7.239 8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.312 9.379 7.600 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.673 9.922 7.300 1.00 0.00 H new ATOM 1237 N ILE A 76 -4.750 7.618 5.280 1.00 0.00 N ATOM 1238 CA ILE A 76 -5.008 7.283 3.894 1.00 0.00 C ATOM 1239 C ILE A 76 -6.489 7.479 3.576 1.00 0.00 C ATOM 1240 O ILE A 76 -7.344 6.711 4.014 1.00 0.00 O ATOM 1241 CB ILE A 76 -4.554 5.841 3.570 1.00 0.00 C ATOM 1242 CG1 ILE A 76 -3.024 5.752 3.677 1.00 0.00 C ATOM 1243 CG2 ILE A 76 -5.029 5.415 2.190 1.00 0.00 C ATOM 1244 CD1 ILE A 76 -2.460 4.383 3.366 1.00 0.00 C ATOM 0 H ILE A 76 -4.728 6.818 5.912 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.425 7.954 3.263 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.002 5.158 4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.580 6.479 2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.724 6.036 4.686 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.695 4.397 1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.118 5.454 2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.615 6.088 1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.375 4.406 3.464 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.872 3.653 4.062 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.726 4.103 2.347 1.00 0.00 H new ATOM 1256 N THR A 77 -6.773 8.536 2.833 1.00 0.00 N ATOM 1257 CA THR A 77 -8.142 8.932 2.545 1.00 0.00 C ATOM 1258 C THR A 77 -8.516 8.670 1.086 1.00 0.00 C ATOM 1259 O THR A 77 -9.502 7.995 0.808 1.00 0.00 O ATOM 1260 CB THR A 77 -8.354 10.423 2.895 1.00 0.00 C ATOM 1261 OG1 THR A 77 -9.606 10.895 2.379 1.00 0.00 O ATOM 1262 CG2 THR A 77 -7.215 11.288 2.365 1.00 0.00 C ATOM 0 H THR A 77 -6.066 9.141 2.415 1.00 0.00 H new ATOM 0 HA THR A 77 -8.798 8.322 3.166 1.00 0.00 H new ATOM 0 HB THR A 77 -8.367 10.502 3.982 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.721 11.840 2.613 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.396 12.330 2.629 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.274 10.960 2.806 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.160 11.193 1.281 1.00 0.00 H new ATOM 1270 N GLU A 78 -7.719 9.205 0.170 1.00 0.00 N ATOM 1271 CA GLU A 78 -7.970 9.080 -1.262 1.00 0.00 C ATOM 1272 C GLU A 78 -6.783 9.641 -2.041 1.00 0.00 C ATOM 1273 O GLU A 78 -6.160 10.607 -1.601 1.00 0.00 O ATOM 1274 CB GLU A 78 -9.250 9.830 -1.644 1.00 0.00 C ATOM 1275 CG GLU A 78 -9.592 9.766 -3.123 1.00 0.00 C ATOM 1276 CD GLU A 78 -9.881 8.360 -3.602 1.00 0.00 C ATOM 1277 OE1 GLU A 78 -8.925 7.637 -3.954 1.00 0.00 O ATOM 1278 OE2 GLU A 78 -11.070 7.978 -3.641 1.00 0.00 O ATOM 0 H GLU A 78 -6.880 9.738 0.398 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.097 8.026 -1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.082 9.420 -1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.146 10.875 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.460 10.396 -3.317 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.764 10.178 -3.700 1.00 0.00 H new ATOM 1285 N PHE A 79 -6.469 9.023 -3.184 1.00 0.00 N ATOM 1286 CA PHE A 79 -5.342 9.440 -4.030 1.00 0.00 C ATOM 1287 C PHE A 79 -4.024 9.433 -3.259 1.00 0.00 C ATOM 1288 O PHE A 79 -3.087 10.159 -3.598 1.00 0.00 O ATOM 1289 CB PHE A 79 -5.585 10.829 -4.632 1.00 0.00 C ATOM 1290 CG PHE A 79 -6.625 10.841 -5.717 1.00 0.00 C ATOM 1291 CD1 PHE A 79 -6.357 10.280 -6.956 1.00 0.00 C ATOM 1292 CD2 PHE A 79 -7.867 11.410 -5.497 1.00 0.00 C ATOM 1293 CE1 PHE A 79 -7.310 10.289 -7.956 1.00 0.00 C ATOM 1294 CE2 PHE A 79 -8.823 11.420 -6.494 1.00 0.00 C ATOM 1295 CZ PHE A 79 -8.546 10.860 -7.723 1.00 0.00 C ATOM 0 H PHE A 79 -6.985 8.223 -3.549 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.269 8.713 -4.839 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.892 11.511 -3.839 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.647 11.210 -5.035 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.392 9.831 -7.142 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.091 11.850 -4.537 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.089 9.851 -8.918 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.789 11.867 -6.311 1.00 0.00 H new ATOM 0 HZ PHE A 79 -9.294 10.868 -8.502 1.00 0.00 H new ATOM 1305 N SER A 80 -3.949 8.597 -2.237 1.00 0.00 N ATOM 1306 CA SER A 80 -2.758 8.494 -1.418 1.00 0.00 C ATOM 1307 C SER A 80 -1.650 7.767 -2.162 1.00 0.00 C ATOM 1308 O SER A 80 -1.842 6.653 -2.655 1.00 0.00 O ATOM 1309 CB SER A 80 -3.099 7.769 -0.121 1.00 0.00 C ATOM 1310 OG SER A 80 -3.913 6.639 -0.382 1.00 0.00 O ATOM 0 H SER A 80 -4.707 7.976 -1.955 1.00 0.00 H new ATOM 0 HA SER A 80 -2.399 9.497 -1.186 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.182 7.456 0.379 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.616 8.448 0.557 1.00 0.00 H new ATOM 0 HG SER A 80 -4.855 6.877 -0.253 1.00 0.00 H new ATOM 1316 N GLU A 81 -0.503 8.412 -2.254 1.00 0.00 N ATOM 1317 CA GLU A 81 0.641 7.835 -2.925 1.00 0.00 C ATOM 1318 C GLU A 81 1.435 6.959 -1.972 1.00 0.00 C ATOM 1319 O GLU A 81 1.793 7.386 -0.874 1.00 0.00 O ATOM 1320 CB GLU A 81 1.532 8.937 -3.483 1.00 0.00 C ATOM 1321 CG GLU A 81 0.856 9.787 -4.539 1.00 0.00 C ATOM 1322 CD GLU A 81 1.801 10.785 -5.167 1.00 0.00 C ATOM 1323 OE1 GLU A 81 2.112 11.805 -4.521 1.00 0.00 O ATOM 1324 OE2 GLU A 81 2.240 10.545 -6.311 1.00 0.00 O ATOM 0 H GLU A 81 -0.340 9.342 -1.869 1.00 0.00 H new ATOM 0 HA GLU A 81 0.282 7.216 -3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.857 9.579 -2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.428 8.487 -3.910 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.447 9.140 -5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.016 10.318 -4.091 1.00 0.00 H new ATOM 1331 N ILE A 82 1.698 5.738 -2.394 1.00 0.00 N ATOM 1332 CA ILE A 82 2.494 4.813 -1.615 1.00 0.00 C ATOM 1333 C ILE A 82 3.804 4.545 -2.335 1.00 0.00 C ATOM 1334 O ILE A 82 3.813 4.030 -3.455 1.00 0.00 O ATOM 1335 CB ILE A 82 1.761 3.475 -1.383 1.00 0.00 C ATOM 1336 CG1 ILE A 82 0.362 3.711 -0.802 1.00 0.00 C ATOM 1337 CG2 ILE A 82 2.575 2.572 -0.467 1.00 0.00 C ATOM 1338 CD1 ILE A 82 0.354 4.497 0.492 1.00 0.00 C ATOM 0 H ILE A 82 1.367 5.361 -3.282 1.00 0.00 H new ATOM 0 HA ILE A 82 2.677 5.270 -0.642 1.00 0.00 H new ATOM 0 HB ILE A 82 1.648 2.979 -2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.241 4.240 -1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.116 2.746 -0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.043 1.633 -0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.544 2.370 -0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.722 3.066 0.494 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.673 4.620 0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.928 3.960 1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.801 5.477 0.325 1.00 0.00 H new ATOM 1350 N VAL A 83 4.901 4.907 -1.704 1.00 0.00 N ATOM 1351 CA VAL A 83 6.211 4.708 -2.295 1.00 0.00 C ATOM 1352 C VAL A 83 6.771 3.362 -1.859 1.00 0.00 C ATOM 1353 O VAL A 83 6.947 3.111 -0.667 1.00 0.00 O ATOM 1354 CB VAL A 83 7.195 5.831 -1.905 1.00 0.00 C ATOM 1355 CG1 VAL A 83 8.504 5.688 -2.666 1.00 0.00 C ATOM 1356 CG2 VAL A 83 6.576 7.203 -2.145 1.00 0.00 C ATOM 0 H VAL A 83 4.914 5.341 -0.781 1.00 0.00 H new ATOM 0 HA VAL A 83 6.093 4.731 -3.378 1.00 0.00 H new ATOM 0 HB VAL A 83 7.409 5.739 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.183 6.490 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.958 4.725 -2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.310 5.746 -3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.289 7.978 -1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.324 7.309 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.672 7.305 -1.544 1.00 0.00 H new ATOM 1366 N VAL A 84 7.024 2.493 -2.821 1.00 0.00 N ATOM 1367 CA VAL A 84 7.489 1.152 -2.526 1.00 0.00 C ATOM 1368 C VAL A 84 9.007 1.075 -2.621 1.00 0.00 C ATOM 1369 O VAL A 84 9.578 1.053 -3.713 1.00 0.00 O ATOM 1370 CB VAL A 84 6.856 0.118 -3.481 1.00 0.00 C ATOM 1371 CG1 VAL A 84 7.272 -1.293 -3.105 1.00 0.00 C ATOM 1372 CG2 VAL A 84 5.339 0.246 -3.475 1.00 0.00 C ATOM 0 H VAL A 84 6.915 2.694 -3.815 1.00 0.00 H new ATOM 0 HA VAL A 84 7.183 0.916 -1.507 1.00 0.00 H new ATOM 0 HB VAL A 84 7.218 0.321 -4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.813 -2.003 -3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.357 -1.380 -3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.945 -1.510 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.909 -0.491 -4.154 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.963 0.073 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.057 1.247 -3.800 1.00 0.00 H new ATOM 1382 N PHE A 85 9.658 1.048 -1.472 1.00 0.00 N ATOM 1383 CA PHE A 85 11.102 0.926 -1.422 1.00 0.00 C ATOM 1384 C PHE A 85 11.502 -0.535 -1.335 1.00 0.00 C ATOM 1385 O PHE A 85 11.243 -1.210 -0.337 1.00 0.00 O ATOM 1386 CB PHE A 85 11.681 1.700 -0.237 1.00 0.00 C ATOM 1387 CG PHE A 85 11.910 3.159 -0.516 1.00 0.00 C ATOM 1388 CD1 PHE A 85 13.075 3.578 -1.140 1.00 0.00 C ATOM 1389 CD2 PHE A 85 10.969 4.110 -0.153 1.00 0.00 C ATOM 1390 CE1 PHE A 85 13.297 4.918 -1.397 1.00 0.00 C ATOM 1391 CE2 PHE A 85 11.186 5.451 -0.408 1.00 0.00 C ATOM 1392 CZ PHE A 85 12.351 5.854 -1.030 1.00 0.00 C ATOM 0 H PHE A 85 9.207 1.109 -0.559 1.00 0.00 H new ATOM 0 HA PHE A 85 11.508 1.354 -2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.004 1.604 0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.626 1.243 0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 85 13.818 2.849 -1.429 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.056 3.800 0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 85 14.209 5.232 -1.884 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.445 6.183 -0.121 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.522 6.902 -1.229 1.00 0.00 H new ATOM 1402 N LEU A 86 12.124 -1.025 -2.393 1.00 0.00 N ATOM 1403 CA LEU A 86 12.564 -2.405 -2.441 1.00 0.00 C ATOM 1404 C LEU A 86 13.871 -2.556 -1.684 1.00 0.00 C ATOM 1405 O LEU A 86 14.930 -2.161 -2.173 1.00 0.00 O ATOM 1406 CB LEU A 86 12.738 -2.871 -3.890 1.00 0.00 C ATOM 1407 CG LEU A 86 11.528 -2.645 -4.801 1.00 0.00 C ATOM 1408 CD1 LEU A 86 11.729 -3.340 -6.136 1.00 0.00 C ATOM 1409 CD2 LEU A 86 10.258 -3.136 -4.131 1.00 0.00 C ATOM 0 H LEU A 86 12.335 -0.485 -3.232 1.00 0.00 H new ATOM 0 HA LEU A 86 11.803 -3.028 -1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.597 -2.355 -4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.975 -3.935 -3.886 1.00 0.00 H new ATOM 0 HG LEU A 86 11.429 -1.575 -4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.859 -3.168 -6.770 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.618 -2.941 -6.624 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.854 -4.411 -5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.409 -2.967 -4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.347 -4.202 -3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.105 -2.592 -3.199 1.00 0.00 H new ATOM 1421 N LYS A 87 13.793 -3.105 -0.479 1.00 0.00 N ATOM 1422 CA LYS A 87 14.986 -3.321 0.323 1.00 0.00 C ATOM 1423 C LYS A 87 15.749 -4.497 -0.251 1.00 0.00 C ATOM 1424 O LYS A 87 16.972 -4.601 -0.137 1.00 0.00 O ATOM 1425 CB LYS A 87 14.625 -3.567 1.792 1.00 0.00 C ATOM 1426 CG LYS A 87 13.688 -2.518 2.373 1.00 0.00 C ATOM 1427 CD LYS A 87 14.123 -1.109 1.999 1.00 0.00 C ATOM 1428 CE LYS A 87 13.216 -0.057 2.616 1.00 0.00 C ATOM 1429 NZ LYS A 87 13.538 0.186 4.045 1.00 0.00 N ATOM 0 H LYS A 87 12.923 -3.406 -0.040 1.00 0.00 H new ATOM 0 HA LYS A 87 15.611 -2.429 0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.160 -4.548 1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.540 -3.592 2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.675 -2.694 2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.661 -2.615 3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 87 15.148 -0.945 2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.118 -1.003 0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.311 0.875 2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.178 -0.377 2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.294 1.166 4.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.992 -0.469 4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.554 0.032 4.203 1.00 0.00 H new ATOM 1443 N SER A 88 14.996 -5.368 -0.889 1.00 0.00 N ATOM 1444 CA SER A 88 15.547 -6.477 -1.629 1.00 0.00 C ATOM 1445 C SER A 88 14.722 -6.660 -2.894 1.00 0.00 C ATOM 1446 O SER A 88 13.493 -6.716 -2.836 1.00 0.00 O ATOM 1447 CB SER A 88 15.535 -7.752 -0.778 1.00 0.00 C ATOM 1448 OG SER A 88 16.201 -8.816 -1.436 1.00 0.00 O ATOM 0 H SER A 88 13.977 -5.324 -0.907 1.00 0.00 H new ATOM 0 HA SER A 88 16.585 -6.273 -1.892 1.00 0.00 H new ATOM 0 HB2 SER A 88 16.016 -7.557 0.181 1.00 0.00 H new ATOM 0 HB3 SER A 88 14.506 -8.040 -0.565 1.00 0.00 H new ATOM 0 HG SER A 88 16.179 -9.616 -0.870 1.00 0.00 H new ATOM 1454 N ILE A 89 15.387 -6.712 -4.035 1.00 0.00 N ATOM 1455 CA ILE A 89 14.693 -6.848 -5.309 1.00 0.00 C ATOM 1456 C ILE A 89 14.121 -8.251 -5.463 1.00 0.00 C ATOM 1457 O ILE A 89 14.401 -9.136 -4.653 1.00 0.00 O ATOM 1458 CB ILE A 89 15.625 -6.539 -6.497 1.00 0.00 C ATOM 1459 CG1 ILE A 89 16.846 -7.466 -6.475 1.00 0.00 C ATOM 1460 CG2 ILE A 89 16.051 -5.077 -6.459 1.00 0.00 C ATOM 1461 CD1 ILE A 89 17.794 -7.254 -7.634 1.00 0.00 C ATOM 0 H ILE A 89 16.403 -6.663 -4.108 1.00 0.00 H new ATOM 0 HA ILE A 89 13.879 -6.124 -5.312 1.00 0.00 H new ATOM 0 HB ILE A 89 15.084 -6.716 -7.427 1.00 0.00 H new ATOM 0 HG12 ILE A 89 17.388 -7.315 -5.542 1.00 0.00 H new ATOM 0 HG13 ILE A 89 16.505 -8.501 -6.481 1.00 0.00 H new ATOM 0 HG21 ILE A 89 16.709 -4.868 -7.302 1.00 0.00 H new ATOM 0 HG22 ILE A 89 15.169 -4.439 -6.520 1.00 0.00 H new ATOM 0 HG23 ILE A 89 16.580 -4.876 -5.527 1.00 0.00 H new ATOM 0 HD11 ILE A 89 18.632 -7.945 -7.549 1.00 0.00 H new ATOM 0 HD12 ILE A 89 17.268 -7.434 -8.572 1.00 0.00 H new ATOM 0 HD13 ILE A 89 18.166 -6.229 -7.617 1.00 0.00 H new ATOM 1473 N ASN A 90 13.316 -8.454 -6.491 1.00 0.00 N ATOM 1474 CA ASN A 90 12.754 -9.767 -6.755 1.00 0.00 C ATOM 1475 C ASN A 90 13.659 -10.526 -7.711 1.00 0.00 C ATOM 1476 O ASN A 90 14.371 -9.923 -8.515 1.00 0.00 O ATOM 1477 CB ASN A 90 11.328 -9.669 -7.316 1.00 0.00 C ATOM 1478 CG ASN A 90 11.252 -8.983 -8.666 1.00 0.00 C ATOM 1479 OD1 ASN A 90 11.414 -9.621 -9.703 1.00 0.00 O ATOM 1480 ND2 ASN A 90 10.952 -7.693 -8.669 1.00 0.00 N ATOM 0 H ASN A 90 13.038 -7.730 -7.154 1.00 0.00 H new ATOM 0 HA ASN A 90 12.692 -10.310 -5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 90 10.911 -10.672 -7.404 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.704 -9.126 -6.606 1.00 0.00 H new ATOM 0 HD21 ASN A 90 10.848 -7.196 -9.553 1.00 0.00 H new ATOM 0 HD22 ASN A 90 10.825 -7.197 -7.787 1.00 0.00 H new ATOM 1487 N ARG A 91 13.652 -11.841 -7.602 1.00 0.00 N ATOM 1488 CA ARG A 91 14.514 -12.675 -8.420 1.00 0.00 C ATOM 1489 C ARG A 91 13.734 -13.177 -9.630 1.00 0.00 C ATOM 1490 O ARG A 91 12.762 -13.920 -9.483 1.00 0.00 O ATOM 1491 CB ARG A 91 15.040 -13.849 -7.585 1.00 0.00 C ATOM 1492 CG ARG A 91 16.443 -14.309 -7.960 1.00 0.00 C ATOM 1493 CD ARG A 91 16.524 -14.836 -9.381 1.00 0.00 C ATOM 1494 NE ARG A 91 15.613 -15.954 -9.609 1.00 0.00 N ATOM 1495 CZ ARG A 91 15.493 -16.584 -10.773 1.00 0.00 C ATOM 1496 NH1 ARG A 91 16.284 -16.262 -11.792 1.00 0.00 N ATOM 1497 NH2 ARG A 91 14.602 -17.553 -10.911 1.00 0.00 N ATOM 0 H ARG A 91 13.057 -12.357 -6.953 1.00 0.00 H new ATOM 0 HA ARG A 91 15.366 -12.093 -8.771 1.00 0.00 H new ATOM 0 HB2 ARG A 91 15.034 -13.563 -6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.355 -14.690 -7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.137 -13.477 -7.845 1.00 0.00 H new ATOM 0 HG3 ARG A 91 16.763 -15.089 -7.269 1.00 0.00 H new ATOM 0 HD2 ARG A 91 16.291 -14.032 -10.079 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.545 -15.154 -9.591 1.00 0.00 H new ATOM 0 HE ARG A 91 15.035 -16.270 -8.830 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.985 -15.530 -11.682 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.190 -16.747 -12.684 1.00 0.00 H new ATOM 0 HH21 ARG A 91 14.008 -17.816 -10.124 1.00 0.00 H new ATOM 0 HH22 ARG A 91 14.509 -18.037 -11.804 1.00 0.00 H new ATOM 1511 N ALA A 92 14.153 -12.755 -10.815 1.00 0.00 N ATOM 1512 CA ALA A 92 13.464 -13.123 -12.046 1.00 0.00 C ATOM 1513 C ALA A 92 14.362 -12.921 -13.258 1.00 0.00 C ATOM 1514 O ALA A 92 14.321 -11.872 -13.904 1.00 0.00 O ATOM 1515 CB ALA A 92 12.177 -12.322 -12.204 1.00 0.00 C ATOM 0 H ALA A 92 14.968 -12.157 -10.951 1.00 0.00 H new ATOM 0 HA ALA A 92 13.210 -14.181 -11.981 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.679 -12.612 -13.129 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.518 -12.522 -11.359 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.412 -11.258 -12.237 1.00 0.00 H new ATOM 1521 N LYS A 93 15.198 -13.923 -13.534 1.00 0.00 N ATOM 1522 CA LYS A 93 16.099 -13.911 -14.691 1.00 0.00 C ATOM 1523 C LYS A 93 17.000 -12.677 -14.698 1.00 0.00 C ATOM 1524 O LYS A 93 17.395 -12.187 -15.759 1.00 0.00 O ATOM 1525 CB LYS A 93 15.303 -13.985 -15.996 1.00 0.00 C ATOM 1526 CG LYS A 93 14.485 -15.260 -16.140 1.00 0.00 C ATOM 1527 CD LYS A 93 13.847 -15.362 -17.516 1.00 0.00 C ATOM 1528 CE LYS A 93 12.871 -14.228 -17.771 1.00 0.00 C ATOM 1529 NZ LYS A 93 12.295 -14.290 -19.138 1.00 0.00 N ATOM 0 H LYS A 93 15.271 -14.765 -12.964 1.00 0.00 H new ATOM 0 HA LYS A 93 16.737 -14.791 -14.611 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.634 -13.126 -16.053 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.992 -13.909 -16.837 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.126 -16.125 -15.970 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.708 -15.283 -15.375 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.625 -15.350 -18.279 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.327 -16.316 -17.606 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.067 -14.269 -17.036 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.380 -13.274 -17.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.634 -13.499 -19.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.060 -14.225 -19.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.788 -15.190 -19.260 1.00 0.00 H new ATOM 1543 N ASP A 94 17.325 -12.184 -13.513 1.00 0.00 N ATOM 1544 CA ASP A 94 18.217 -11.047 -13.373 1.00 0.00 C ATOM 1545 C ASP A 94 19.664 -11.519 -13.396 1.00 0.00 C ATOM 1546 O ASP A 94 20.406 -11.128 -14.321 1.00 0.00 O ATOM 1547 CB ASP A 94 17.913 -10.264 -12.083 1.00 0.00 C ATOM 1548 CG ASP A 94 17.864 -11.143 -10.845 1.00 0.00 C ATOM 1549 OD1 ASP A 94 16.901 -11.930 -10.713 1.00 0.00 O ATOM 1550 OD2 ASP A 94 18.782 -11.042 -9.997 1.00 0.00 O ATOM 1551 OXT ASP A 94 20.044 -12.318 -12.521 1.00 0.00 O ATOM 0 H ASP A 94 16.980 -12.558 -12.629 1.00 0.00 H new ATOM 0 HA ASP A 94 18.057 -10.371 -14.213 1.00 0.00 H new ATOM 0 HB2 ASP A 94 18.673 -9.495 -11.945 1.00 0.00 H new ATOM 0 HB3 ASP A 94 16.958 -9.751 -12.194 1.00 0.00 H new TER 1556 ASP A 94