USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 733 hydrogens (12 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 71 THR OG1 : rot -54:sc= 1.12 USER MOD Set 1.2: A 74 GLN : amide:sc= 1.1 K(o=2.2,f=-4!) USER MOD Set 2.1: A 15 ASN : amide:sc= 0.684 K(o=1.8,f=-4.2!) USER MOD Set 2.2: A 84 GLN : amide:sc= 1.09 K(o=1.8,f=-2.1!) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.223 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 165:sc= 1.26 (180deg=0.853) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 0.511 (180deg=0.271) USER MOD Single : A 17 ASN : amide:sc= -0.193 K(o=-0.19,f=-4.8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 29 THR OG1 : rot 177:sc= 0.912 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.0235 X(o=-0.024,f=-0.42) USER MOD Single : A 37 TYR OH : rot 30:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 142:sc= 1.23 USER MOD Single : A 54 HIS : no HE2:sc= -0.411 K(o=-0.41,f=-2.6!) USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= 1.21 (180deg=1.05) USER MOD Single : A 63 ASN : amide:sc= 0.481 K(o=0.48,f=-0.39) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 73 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0152) USER MOD Single : A 78 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 81 ASN : amide:sc= -0.338 K(o=-0.34,f=-0.99) USER MOD Single : A 82 THR OG1 : rot -59:sc= 1.1 USER MOD Single : A 87 HIS : no HE2:sc= 0.233 K(o=1.7,f=-10!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -1.05! C(o=-1.1!,f=-8.9!) USER MOD Single : A 95 SER OG : rot 180:sc= 0.002 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 33B O62 : rot 180:sc= 0 USER MOD Single : A 101 33B O72 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.413 -1.535 -13.555 1.00 44.33 N ATOM 2 CA GLY A 1 -15.202 -1.210 -12.792 1.00 42.33 C ATOM 3 C GLY A 1 -14.105 -2.058 -13.314 1.00 51.14 C ATOM 4 O GLY A 1 -14.281 -2.807 -14.271 1.00 21.44 O ATOM 0 H1 GLY A 1 -16.699 -0.710 -14.120 1.00 44.33 H new ATOM 0 H2 GLY A 1 -16.220 -2.338 -14.187 1.00 44.33 H new ATOM 0 H3 GLY A 1 -17.179 -1.788 -12.899 1.00 44.33 H new ATOM 0 HA2 GLY A 1 -14.954 -0.154 -12.898 1.00 42.33 H new ATOM 0 HA3 GLY A 1 -15.357 -1.395 -11.729 1.00 42.33 H new ATOM 10 N PRO A 2 -12.937 -1.949 -12.700 1.00 5.04 N ATOM 11 CA PRO A 2 -11.813 -2.805 -13.026 1.00 65.44 C ATOM 12 C PRO A 2 -12.156 -4.230 -12.612 1.00 44.31 C ATOM 13 O PRO A 2 -12.988 -4.414 -11.702 1.00 44.04 O ATOM 14 CB PRO A 2 -10.636 -2.228 -12.218 1.00 31.43 C ATOM 15 CG PRO A 2 -11.304 -1.452 -11.066 1.00 2.11 C ATOM 16 CD PRO A 2 -12.637 -0.977 -11.654 1.00 60.33 C ATOM 0 HA PRO A 2 -11.568 -2.836 -14.088 1.00 65.44 H new ATOM 0 HB2 PRO A 2 -9.988 -3.019 -11.841 1.00 31.43 H new ATOM 0 HB3 PRO A 2 -10.016 -1.573 -12.831 1.00 31.43 H new ATOM 0 HG2 PRO A 2 -11.458 -2.088 -10.194 1.00 2.11 H new ATOM 0 HG3 PRO A 2 -10.689 -0.612 -10.743 1.00 2.11 H new ATOM 0 HD2 PRO A 2 -13.420 -0.954 -10.896 1.00 60.33 H new ATOM 0 HD3 PRO A 2 -12.556 0.031 -12.060 1.00 60.33 H new ATOM 24 N LYS A 3 -11.570 -5.231 -13.304 1.00 53.14 N ATOM 25 CA LYS A 3 -11.893 -6.631 -13.065 1.00 14.21 C ATOM 26 C LYS A 3 -11.143 -7.089 -11.824 1.00 71.15 C ATOM 27 O LYS A 3 -10.157 -6.480 -11.411 1.00 54.53 O ATOM 28 CB LYS A 3 -11.506 -7.550 -14.262 1.00 0.30 C ATOM 29 CG LYS A 3 -10.113 -7.289 -14.854 1.00 74.34 C ATOM 30 CD LYS A 3 -9.853 -8.146 -16.082 1.00 52.44 C ATOM 31 CE LYS A 3 -8.676 -7.668 -16.973 1.00 54.42 C ATOM 32 NZ LYS A 3 -7.395 -7.627 -16.242 1.00 74.44 N ATOM 0 H LYS A 3 -10.871 -5.082 -14.032 1.00 53.14 H new ATOM 0 HA LYS A 3 -12.972 -6.710 -12.935 1.00 14.21 H new ATOM 0 HB2 LYS A 3 -11.557 -8.589 -13.935 1.00 0.30 H new ATOM 0 HB3 LYS A 3 -12.249 -7.427 -15.050 1.00 0.30 H new ATOM 0 HG2 LYS A 3 -10.022 -6.236 -15.120 1.00 74.34 H new ATOM 0 HG3 LYS A 3 -9.353 -7.494 -14.100 1.00 74.34 H new ATOM 0 HD2 LYS A 3 -9.654 -9.168 -15.759 1.00 52.44 H new ATOM 0 HD3 LYS A 3 -10.760 -8.174 -16.687 1.00 52.44 H new ATOM 0 HE2 LYS A 3 -8.580 -8.334 -17.831 1.00 54.42 H new ATOM 0 HE3 LYS A 3 -8.900 -6.675 -17.363 1.00 54.42 H new ATOM 0 HZ1 LYS A 3 -6.610 -7.553 -16.921 1.00 74.44 H new ATOM 0 HZ2 LYS A 3 -7.383 -6.803 -15.608 1.00 74.44 H new ATOM 0 HZ3 LYS A 3 -7.287 -8.497 -15.682 1.00 74.44 H new ATOM 46 N PRO A 4 -11.619 -8.187 -11.207 1.00 53.21 N ATOM 47 CA PRO A 4 -10.908 -8.827 -10.120 1.00 1.43 C ATOM 48 C PRO A 4 -9.641 -9.429 -10.676 1.00 64.33 C ATOM 49 O PRO A 4 -9.706 -10.148 -11.676 1.00 74.41 O ATOM 50 CB PRO A 4 -11.873 -9.918 -9.606 1.00 74.33 C ATOM 51 CG PRO A 4 -12.789 -10.223 -10.812 1.00 65.14 C ATOM 52 CD PRO A 4 -12.884 -8.872 -11.533 1.00 74.44 C ATOM 0 HA PRO A 4 -10.625 -8.148 -9.315 1.00 1.43 H new ATOM 0 HB2 PRO A 4 -11.331 -10.807 -9.284 1.00 74.33 H new ATOM 0 HB3 PRO A 4 -12.448 -9.567 -8.749 1.00 74.33 H new ATOM 0 HG2 PRO A 4 -12.364 -10.993 -11.455 1.00 65.14 H new ATOM 0 HG3 PRO A 4 -13.769 -10.579 -10.493 1.00 65.14 H new ATOM 0 HD2 PRO A 4 -12.998 -9.004 -12.609 1.00 74.44 H new ATOM 0 HD3 PRO A 4 -13.745 -8.299 -11.189 1.00 74.44 H new ATOM 60 N GLY A 5 -8.494 -9.131 -10.055 1.00 13.13 N ATOM 61 CA GLY A 5 -7.243 -9.703 -10.510 1.00 44.01 C ATOM 62 C GLY A 5 -6.610 -8.732 -11.458 1.00 60.24 C ATOM 63 O GLY A 5 -5.709 -9.091 -12.211 1.00 75.10 O ATOM 0 H GLY A 5 -8.416 -8.508 -9.251 1.00 13.13 H new ATOM 0 HA2 GLY A 5 -6.582 -9.897 -9.665 1.00 44.01 H new ATOM 0 HA3 GLY A 5 -7.418 -10.659 -11.004 1.00 44.01 H new ATOM 67 N ASP A 6 -7.109 -7.471 -11.484 1.00 24.14 N ATOM 68 CA ASP A 6 -6.591 -6.482 -12.410 1.00 30.25 C ATOM 69 C ASP A 6 -5.474 -5.809 -11.693 1.00 22.03 C ATOM 70 O ASP A 6 -5.605 -5.480 -10.516 1.00 73.11 O ATOM 71 CB ASP A 6 -7.635 -5.389 -12.796 1.00 64.41 C ATOM 72 CG ASP A 6 -7.209 -4.673 -14.058 1.00 42.32 C ATOM 73 OD1 ASP A 6 -6.741 -5.348 -14.997 1.00 3.20 O ATOM 74 OD2 ASP A 6 -7.410 -3.455 -14.155 1.00 2.21 O ATOM 0 H ASP A 6 -7.858 -7.137 -10.877 1.00 24.14 H new ATOM 0 HA ASP A 6 -6.299 -6.981 -13.334 1.00 30.25 H new ATOM 0 HB2 ASP A 6 -8.613 -5.847 -12.943 1.00 64.41 H new ATOM 0 HB3 ASP A 6 -7.738 -4.672 -11.981 1.00 64.41 H new ATOM 79 N ILE A 7 -4.343 -5.622 -12.372 1.00 2.12 N ATOM 80 CA ILE A 7 -3.212 -4.939 -11.792 1.00 12.44 C ATOM 81 C ILE A 7 -3.410 -3.524 -12.210 1.00 31.43 C ATOM 82 O ILE A 7 -3.695 -3.263 -13.386 1.00 42.11 O ATOM 83 CB ILE A 7 -1.830 -5.426 -12.304 1.00 23.15 C ATOM 84 CG1 ILE A 7 -1.505 -6.870 -11.847 1.00 21.34 C ATOM 85 CG2 ILE A 7 -0.744 -4.445 -11.821 1.00 4.11 C ATOM 86 CD1 ILE A 7 -2.360 -7.951 -12.485 1.00 5.35 C ATOM 0 H ILE A 7 -4.196 -5.940 -13.330 1.00 2.12 H new ATOM 0 HA ILE A 7 -3.184 -5.113 -10.716 1.00 12.44 H new ATOM 0 HB ILE A 7 -1.858 -5.447 -13.393 1.00 23.15 H new ATOM 0 HG12 ILE A 7 -0.458 -7.078 -12.067 1.00 21.34 H new ATOM 0 HG13 ILE A 7 -1.620 -6.928 -10.765 1.00 21.34 H new ATOM 0 HG21 ILE A 7 0.231 -4.778 -12.176 1.00 4.11 H new ATOM 0 HG22 ILE A 7 -0.952 -3.450 -12.214 1.00 4.11 H new ATOM 0 HG23 ILE A 7 -0.742 -4.412 -10.732 1.00 4.11 H new ATOM 0 HD11 ILE A 7 -2.058 -8.926 -12.103 1.00 5.35 H new ATOM 0 HD12 ILE A 7 -3.408 -7.775 -12.244 1.00 5.35 H new ATOM 0 HD13 ILE A 7 -2.228 -7.928 -13.567 1.00 5.35 H new ATOM 98 N PHE A 8 -3.316 -2.584 -11.266 1.00 4.31 N ATOM 99 CA PHE A 8 -3.597 -1.217 -11.565 1.00 24.42 C ATOM 100 C PHE A 8 -2.608 -0.401 -10.808 1.00 50.41 C ATOM 101 O PHE A 8 -2.054 -0.839 -9.806 1.00 40.24 O ATOM 102 CB PHE A 8 -5.055 -0.749 -11.221 1.00 25.22 C ATOM 103 CG PHE A 8 -5.372 -0.986 -9.758 1.00 43.31 C ATOM 104 CD1 PHE A 8 -5.573 -2.300 -9.249 1.00 12.42 C ATOM 105 CD2 PHE A 8 -5.494 0.111 -8.875 1.00 33.33 C ATOM 106 CE1 PHE A 8 -5.871 -2.498 -7.886 1.00 74.41 C ATOM 107 CE2 PHE A 8 -5.797 -0.095 -7.518 1.00 11.53 C ATOM 108 CZ PHE A 8 -5.987 -1.397 -7.024 1.00 43.34 C ATOM 0 H PHE A 8 -3.047 -2.764 -10.299 1.00 4.31 H new ATOM 0 HA PHE A 8 -3.519 -1.088 -12.645 1.00 24.42 H new ATOM 0 HB2 PHE A 8 -5.165 0.310 -11.453 1.00 25.22 H new ATOM 0 HB3 PHE A 8 -5.770 -1.288 -11.843 1.00 25.22 H new ATOM 0 HD1 PHE A 8 -5.497 -3.150 -9.911 1.00 12.42 H new ATOM 0 HD2 PHE A 8 -5.353 1.115 -9.246 1.00 33.33 H new ATOM 0 HE1 PHE A 8 -6.010 -3.499 -7.504 1.00 74.41 H new ATOM 0 HE2 PHE A 8 -5.884 0.751 -6.852 1.00 11.53 H new ATOM 0 HZ PHE A 8 -6.222 -1.550 -5.981 1.00 43.34 H new ATOM 118 N GLU A 9 -2.323 0.786 -11.321 1.00 1.21 N ATOM 119 CA GLU A 9 -1.333 1.631 -10.736 1.00 3.15 C ATOM 120 C GLU A 9 -2.074 2.764 -10.103 1.00 24.35 C ATOM 121 O GLU A 9 -3.056 3.257 -10.667 1.00 20.34 O ATOM 122 CB GLU A 9 -0.412 2.226 -11.805 1.00 4.24 C ATOM 123 CG GLU A 9 0.234 1.144 -12.676 1.00 41.33 C ATOM 124 CD GLU A 9 0.897 1.805 -13.830 1.00 4.44 C ATOM 125 OE1 GLU A 9 0.178 2.432 -14.642 1.00 41.32 O ATOM 126 OE2 GLU A 9 2.135 1.726 -13.921 1.00 73.15 O ATOM 0 H GLU A 9 -2.776 1.175 -12.148 1.00 1.21 H new ATOM 0 HA GLU A 9 -0.728 1.060 -10.032 1.00 3.15 H new ATOM 0 HB2 GLU A 9 -0.983 2.906 -12.437 1.00 4.24 H new ATOM 0 HB3 GLU A 9 0.367 2.816 -11.324 1.00 4.24 H new ATOM 0 HG2 GLU A 9 0.960 0.574 -12.097 1.00 41.33 H new ATOM 0 HG3 GLU A 9 -0.520 0.438 -13.025 1.00 41.33 H new ATOM 133 N VAL A 10 -1.616 3.206 -8.942 1.00 22.13 N ATOM 134 CA VAL A 10 -2.193 4.350 -8.293 1.00 24.20 C ATOM 135 C VAL A 10 -1.044 5.233 -7.990 1.00 32.22 C ATOM 136 O VAL A 10 -0.049 4.789 -7.441 1.00 23.22 O ATOM 137 CB VAL A 10 -2.907 4.007 -6.975 1.00 61.52 C ATOM 138 CG1 VAL A 10 -3.442 5.302 -6.313 1.00 61.12 C ATOM 139 CG2 VAL A 10 -4.025 2.987 -7.278 1.00 61.20 C ATOM 0 H VAL A 10 -0.841 2.779 -8.435 1.00 22.13 H new ATOM 0 HA VAL A 10 -2.948 4.798 -8.939 1.00 24.20 H new ATOM 0 HB VAL A 10 -2.218 3.554 -6.262 1.00 61.52 H new ATOM 0 HG11 VAL A 10 -3.947 5.052 -5.380 1.00 61.12 H new ATOM 0 HG12 VAL A 10 -2.610 5.975 -6.106 1.00 61.12 H new ATOM 0 HG13 VAL A 10 -4.146 5.791 -6.986 1.00 61.12 H new ATOM 0 HG21 VAL A 10 -4.544 2.731 -6.354 1.00 61.20 H new ATOM 0 HG22 VAL A 10 -4.733 3.422 -7.983 1.00 61.20 H new ATOM 0 HG23 VAL A 10 -3.589 2.087 -7.711 1.00 61.20 H new ATOM 149 N GLU A 11 -1.150 6.512 -8.345 1.00 34.42 N ATOM 150 CA GLU A 11 -0.149 7.444 -7.958 1.00 41.12 C ATOM 151 C GLU A 11 -0.765 8.237 -6.881 1.00 22.32 C ATOM 152 O GLU A 11 -1.766 8.908 -7.087 1.00 31.34 O ATOM 153 CB GLU A 11 0.342 8.350 -9.085 1.00 62.01 C ATOM 154 CG GLU A 11 0.998 7.519 -10.187 1.00 3.51 C ATOM 155 CD GLU A 11 1.882 8.385 -11.035 1.00 63.41 C ATOM 156 OE1 GLU A 11 1.397 9.376 -11.611 1.00 72.13 O ATOM 157 OE2 GLU A 11 3.072 8.054 -11.151 1.00 13.10 O ATOM 0 H GLU A 11 -1.917 6.902 -8.893 1.00 34.42 H new ATOM 0 HA GLU A 11 0.749 6.910 -7.646 1.00 41.12 H new ATOM 0 HB2 GLU A 11 -0.494 8.916 -9.496 1.00 62.01 H new ATOM 0 HB3 GLU A 11 1.056 9.075 -8.693 1.00 62.01 H new ATOM 0 HG2 GLU A 11 1.583 6.713 -9.745 1.00 3.51 H new ATOM 0 HG3 GLU A 11 0.231 7.053 -10.806 1.00 3.51 H new ATOM 164 N LEU A 12 -0.234 8.089 -5.665 1.00 61.01 N ATOM 165 CA LEU A 12 -0.881 8.629 -4.524 1.00 21.42 C ATOM 166 C LEU A 12 -0.137 9.860 -4.170 1.00 12.40 C ATOM 167 O LEU A 12 1.087 9.810 -3.897 1.00 42.51 O ATOM 168 CB LEU A 12 -0.826 7.648 -3.321 1.00 54.22 C ATOM 169 CG LEU A 12 -2.024 7.743 -2.364 1.00 53.21 C ATOM 170 CD1 LEU A 12 -2.084 9.050 -1.578 1.00 64.22 C ATOM 171 CD2 LEU A 12 -3.348 7.425 -3.074 1.00 14.14 C ATOM 0 H LEU A 12 0.639 7.598 -5.472 1.00 61.01 H new ATOM 0 HA LEU A 12 -1.931 8.820 -4.745 1.00 21.42 H new ATOM 0 HB2 LEU A 12 -0.762 6.629 -3.703 1.00 54.22 H new ATOM 0 HB3 LEU A 12 0.088 7.835 -2.758 1.00 54.22 H new ATOM 0 HG LEU A 12 -1.864 6.969 -1.613 1.00 53.21 H new ATOM 0 HD11 LEU A 12 -2.957 9.042 -0.925 1.00 64.22 H new ATOM 0 HD12 LEU A 12 -1.181 9.154 -0.976 1.00 64.22 H new ATOM 0 HD13 LEU A 12 -2.157 9.888 -2.271 1.00 64.22 H new ATOM 0 HD21 LEU A 12 -4.170 7.503 -2.363 1.00 14.14 H new ATOM 0 HD22 LEU A 12 -3.504 8.133 -3.888 1.00 14.14 H new ATOM 0 HD23 LEU A 12 -3.311 6.413 -3.476 1.00 14.14 H new ATOM 183 N ALA A 13 -0.847 10.999 -4.166 1.00 51.32 N ATOM 184 CA ALA A 13 -0.241 12.265 -3.894 1.00 61.11 C ATOM 185 C ALA A 13 -0.478 12.538 -2.451 1.00 33.31 C ATOM 186 O ALA A 13 -1.521 12.205 -1.910 1.00 52.45 O ATOM 187 CB ALA A 13 -0.843 13.434 -4.695 1.00 54.45 C ATOM 0 H ALA A 13 -1.849 11.044 -4.353 1.00 51.32 H new ATOM 0 HA ALA A 13 0.811 12.203 -4.174 1.00 61.11 H new ATOM 0 HB1 ALA A 13 -0.329 14.358 -4.432 1.00 54.45 H new ATOM 0 HB2 ALA A 13 -0.724 13.244 -5.762 1.00 54.45 H new ATOM 0 HB3 ALA A 13 -1.903 13.529 -4.460 1.00 54.45 H new ATOM 193 N LYS A 14 0.508 13.134 -1.795 1.00 65.43 N ATOM 194 CA LYS A 14 0.424 13.432 -0.371 1.00 51.32 C ATOM 195 C LYS A 14 0.110 14.892 -0.246 1.00 62.33 C ATOM 196 O LYS A 14 0.617 15.587 0.638 1.00 54.24 O ATOM 197 CB LYS A 14 1.720 13.117 0.388 1.00 42.33 C ATOM 198 CG LYS A 14 2.290 11.736 0.040 1.00 42.44 C ATOM 199 CD LYS A 14 1.282 10.571 0.144 1.00 13.25 C ATOM 200 CE LYS A 14 1.878 9.213 -0.254 1.00 34.01 C ATOM 201 NZ LYS A 14 2.592 9.304 -1.547 1.00 12.50 N ATOM 0 H LYS A 14 1.384 13.423 -2.231 1.00 65.43 H new ATOM 0 HA LYS A 14 -0.347 12.803 0.074 1.00 51.32 H new ATOM 0 HB2 LYS A 14 2.464 13.880 0.160 1.00 42.33 H new ATOM 0 HB3 LYS A 14 1.530 13.167 1.460 1.00 42.33 H new ATOM 0 HG2 LYS A 14 2.683 11.767 -0.976 1.00 42.44 H new ATOM 0 HG3 LYS A 14 3.131 11.529 0.701 1.00 42.44 H new ATOM 0 HD2 LYS A 14 0.911 10.511 1.167 1.00 13.25 H new ATOM 0 HD3 LYS A 14 0.424 10.784 -0.494 1.00 13.25 H new ATOM 0 HE2 LYS A 14 2.565 8.872 0.521 1.00 34.01 H new ATOM 0 HE3 LYS A 14 1.083 8.470 -0.325 1.00 34.01 H new ATOM 0 HZ1 LYS A 14 2.853 8.350 -1.868 1.00 12.50 H new ATOM 0 HZ2 LYS A 14 1.974 9.750 -2.254 1.00 12.50 H new ATOM 0 HZ3 LYS A 14 3.452 9.876 -1.429 1.00 12.50 H new ATOM 215 N ASN A 15 -0.670 15.386 -1.211 1.00 11.54 N ATOM 216 CA ASN A 15 -0.952 16.797 -1.351 1.00 51.33 C ATOM 217 C ASN A 15 -1.912 17.165 -0.273 1.00 32.11 C ATOM 218 O ASN A 15 -1.696 18.124 0.463 1.00 62.13 O ATOM 219 CB ASN A 15 -1.648 17.137 -2.698 1.00 73.13 C ATOM 220 CG ASN A 15 -0.644 16.990 -3.839 1.00 10.03 C ATOM 221 OD1 ASN A 15 0.524 16.676 -3.622 1.00 52.21 O ATOM 222 ND2 ASN A 15 -1.096 17.216 -5.082 1.00 10.22 N ATOM 0 H ASN A 15 -1.122 14.805 -1.917 1.00 11.54 H new ATOM 0 HA ASN A 15 -0.005 17.335 -1.302 1.00 51.33 H new ATOM 0 HB2 ASN A 15 -2.498 16.473 -2.859 1.00 73.13 H new ATOM 0 HB3 ASN A 15 -2.039 18.154 -2.672 1.00 73.13 H new ATOM 0 HD21 ASN A 15 -0.464 17.129 -5.878 1.00 10.22 H new ATOM 0 HD22 ASN A 15 -2.071 17.475 -5.231 1.00 10.22 H new ATOM 229 N ASP A 16 -3.023 16.392 -0.172 1.00 23.54 N ATOM 230 CA ASP A 16 -4.119 16.719 0.736 1.00 63.44 C ATOM 231 C ASP A 16 -3.609 16.734 2.153 1.00 34.32 C ATOM 232 O ASP A 16 -3.718 17.749 2.845 1.00 23.10 O ATOM 233 CB ASP A 16 -5.312 15.722 0.644 1.00 73.11 C ATOM 234 CG ASP A 16 -6.476 16.233 1.491 1.00 0.31 C ATOM 235 OD1 ASP A 16 -6.902 17.390 1.289 1.00 51.34 O ATOM 236 OD2 ASP A 16 -6.985 15.467 2.342 1.00 21.22 O ATOM 0 H ASP A 16 -3.170 15.541 -0.714 1.00 23.54 H new ATOM 0 HA ASP A 16 -4.490 17.699 0.437 1.00 63.44 H new ATOM 0 HB2 ASP A 16 -5.626 15.610 -0.394 1.00 73.11 H new ATOM 0 HB3 ASP A 16 -5.002 14.736 0.991 1.00 73.11 H new ATOM 241 N ASN A 17 -3.044 15.618 2.627 1.00 44.23 N ATOM 242 CA ASN A 17 -2.584 15.580 3.993 1.00 55.05 C ATOM 243 C ASN A 17 -1.498 14.546 4.042 1.00 51.21 C ATOM 244 O ASN A 17 -1.221 13.878 3.036 1.00 33.12 O ATOM 245 CB ASN A 17 -3.717 15.158 4.996 1.00 43.03 C ATOM 246 CG ASN A 17 -3.324 15.446 6.449 1.00 42.00 C ATOM 247 OD1 ASN A 17 -2.377 16.193 6.730 1.00 63.05 O ATOM 248 ND2 ASN A 17 -4.065 14.843 7.394 1.00 40.33 N ATOM 0 H ASN A 17 -2.903 14.760 2.093 1.00 44.23 H new ATOM 0 HA ASN A 17 -2.246 16.574 4.288 1.00 55.05 H new ATOM 0 HB2 ASN A 17 -4.635 15.694 4.754 1.00 43.03 H new ATOM 0 HB3 ASN A 17 -3.928 14.095 4.880 1.00 43.03 H new ATOM 0 HD21 ASN A 17 -3.855 14.994 8.381 1.00 40.33 H new ATOM 0 HD22 ASN A 17 -4.838 14.234 7.125 1.00 40.33 H new ATOM 255 N SER A 18 -0.863 14.429 5.239 1.00 64.41 N ATOM 256 CA SER A 18 0.133 13.416 5.589 1.00 72.25 C ATOM 257 C SER A 18 -0.323 12.038 5.120 1.00 61.35 C ATOM 258 O SER A 18 -1.523 11.790 4.898 1.00 72.11 O ATOM 259 CB SER A 18 0.383 13.372 7.133 1.00 0.24 C ATOM 260 OG SER A 18 1.449 12.488 7.504 1.00 23.05 O ATOM 0 H SER A 18 -1.049 15.072 6.009 1.00 64.41 H new ATOM 0 HA SER A 18 1.063 13.687 5.090 1.00 72.25 H new ATOM 0 HB2 SER A 18 0.612 14.377 7.487 1.00 0.24 H new ATOM 0 HB3 SER A 18 -0.532 13.059 7.635 1.00 0.24 H new ATOM 0 HG SER A 18 1.562 12.502 8.477 1.00 23.05 H new ATOM 266 N LEU A 19 0.682 11.120 4.929 1.00 31.55 N ATOM 267 CA LEU A 19 0.464 9.825 4.287 1.00 3.52 C ATOM 268 C LEU A 19 -0.630 9.112 5.012 1.00 14.33 C ATOM 269 O LEU A 19 -1.674 8.784 4.438 1.00 0.14 O ATOM 270 CB LEU A 19 1.722 8.876 4.343 1.00 25.01 C ATOM 271 CG LEU A 19 3.102 9.575 4.246 1.00 54.22 C ATOM 272 CD1 LEU A 19 4.255 8.591 4.464 1.00 33.31 C ATOM 273 CD2 LEU A 19 3.297 10.403 2.987 1.00 11.12 C ATOM 0 H LEU A 19 1.647 11.277 5.221 1.00 31.55 H new ATOM 0 HA LEU A 19 0.231 10.035 3.243 1.00 3.52 H new ATOM 0 HB2 LEU A 19 1.687 8.312 5.275 1.00 25.01 H new ATOM 0 HB3 LEU A 19 1.644 8.153 3.531 1.00 25.01 H new ATOM 0 HG LEU A 19 3.114 10.295 5.064 1.00 54.22 H new ATOM 0 HD11 LEU A 19 5.205 9.121 4.388 1.00 33.31 H new ATOM 0 HD12 LEU A 19 4.168 8.142 5.453 1.00 33.31 H new ATOM 0 HD13 LEU A 19 4.214 7.809 3.706 1.00 33.31 H new ATOM 0 HD21 LEU A 19 4.288 10.857 3.000 1.00 11.12 H new ATOM 0 HD22 LEU A 19 3.203 9.761 2.111 1.00 11.12 H new ATOM 0 HD23 LEU A 19 2.540 11.186 2.946 1.00 11.12 H new ATOM 285 N GLY A 20 -0.411 8.911 6.332 1.00 35.02 N ATOM 286 CA GLY A 20 -1.377 8.275 7.191 1.00 40.22 C ATOM 287 C GLY A 20 -1.677 6.892 6.700 1.00 21.42 C ATOM 288 O GLY A 20 -2.842 6.522 6.574 1.00 1.42 O ATOM 0 H GLY A 20 0.445 9.193 6.809 1.00 35.02 H new ATOM 0 HA2 GLY A 20 -0.994 8.231 8.211 1.00 40.22 H new ATOM 0 HA3 GLY A 20 -2.293 8.865 7.219 1.00 40.22 H new ATOM 292 N ILE A 21 -0.629 6.097 6.404 1.00 33.23 N ATOM 293 CA ILE A 21 -0.828 4.749 5.932 1.00 42.01 C ATOM 294 C ILE A 21 0.053 3.904 6.823 1.00 53.52 C ATOM 295 O ILE A 21 1.013 4.413 7.397 1.00 21.21 O ATOM 296 CB ILE A 21 -0.384 4.554 4.454 1.00 31.34 C ATOM 297 CG1 ILE A 21 -0.864 5.738 3.576 1.00 21.32 C ATOM 298 CG2 ILE A 21 -0.898 3.188 3.924 1.00 10.33 C ATOM 299 CD1 ILE A 21 -0.474 5.613 2.096 1.00 1.42 C ATOM 0 H ILE A 21 0.348 6.379 6.489 1.00 33.23 H new ATOM 0 HA ILE A 21 -1.885 4.486 5.967 1.00 42.01 H new ATOM 0 HB ILE A 21 0.705 4.543 4.404 1.00 31.34 H new ATOM 0 HG12 ILE A 21 -1.949 5.816 3.650 1.00 21.32 H new ATOM 0 HG13 ILE A 21 -0.449 6.664 3.974 1.00 21.32 H new ATOM 0 HG21 ILE A 21 -0.584 3.058 2.888 1.00 10.33 H new ATOM 0 HG22 ILE A 21 -0.485 2.383 4.532 1.00 10.33 H new ATOM 0 HG23 ILE A 21 -1.986 3.163 3.979 1.00 10.33 H new ATOM 0 HD11 ILE A 21 -0.845 6.479 1.548 1.00 1.42 H new ATOM 0 HD12 ILE A 21 0.611 5.566 2.008 1.00 1.42 H new ATOM 0 HD13 ILE A 21 -0.911 4.705 1.680 1.00 1.42 H new ATOM 311 N CYS A 22 -0.239 2.597 6.918 1.00 30.50 N ATOM 312 CA CYS A 22 0.671 1.664 7.546 1.00 31.13 C ATOM 313 C CYS A 22 0.386 0.413 6.816 1.00 24.51 C ATOM 314 O CYS A 22 -0.581 0.359 6.055 1.00 32.51 O ATOM 315 CB CYS A 22 0.341 1.354 9.039 1.00 43.43 C ATOM 316 SG CYS A 22 0.213 2.838 10.073 1.00 3.13 S ATOM 0 H CYS A 22 -1.099 2.177 6.565 1.00 30.50 H new ATOM 0 HA CYS A 22 1.687 2.058 7.518 1.00 31.13 H new ATOM 0 HB2 CYS A 22 -0.599 0.804 9.089 1.00 43.43 H new ATOM 0 HB3 CYS A 22 1.114 0.702 9.446 1.00 43.43 H new ATOM 321 N VAL A 23 1.248 -0.594 6.930 1.00 51.41 N ATOM 322 CA VAL A 23 1.127 -1.748 6.100 1.00 42.44 C ATOM 323 C VAL A 23 1.543 -2.911 6.949 1.00 60.32 C ATOM 324 O VAL A 23 2.054 -2.736 8.056 1.00 21.23 O ATOM 325 CB VAL A 23 2.012 -1.691 4.850 1.00 61.51 C ATOM 326 CG1 VAL A 23 1.270 -0.908 3.747 1.00 21.32 C ATOM 327 CG2 VAL A 23 3.357 -1.051 5.218 1.00 74.01 C ATOM 0 H VAL A 23 2.026 -0.618 7.589 1.00 51.41 H new ATOM 0 HA VAL A 23 0.102 -1.825 5.737 1.00 42.44 H new ATOM 0 HB VAL A 23 2.217 -2.691 4.466 1.00 61.51 H new ATOM 0 HG11 VAL A 23 1.892 -0.862 2.853 1.00 21.32 H new ATOM 0 HG12 VAL A 23 0.332 -1.411 3.511 1.00 21.32 H new ATOM 0 HG13 VAL A 23 1.061 0.103 4.096 1.00 21.32 H new ATOM 0 HG21 VAL A 23 3.993 -1.007 4.334 1.00 74.01 H new ATOM 0 HG22 VAL A 23 3.189 -0.042 5.595 1.00 74.01 H new ATOM 0 HG23 VAL A 23 3.846 -1.649 5.987 1.00 74.01 H new ATOM 337 N THR A 24 1.274 -4.106 6.449 1.00 73.43 N ATOM 338 CA THR A 24 1.569 -5.320 7.123 1.00 4.25 C ATOM 339 C THR A 24 1.905 -6.262 5.995 1.00 50.21 C ATOM 340 O THR A 24 1.673 -5.929 4.849 1.00 35.42 O ATOM 341 CB THR A 24 0.381 -5.850 7.960 1.00 44.15 C ATOM 342 OG1 THR A 24 0.698 -7.068 8.647 1.00 1.35 O ATOM 343 CG2 THR A 24 -0.862 -6.049 7.054 1.00 72.35 C ATOM 0 H THR A 24 0.833 -4.242 5.539 1.00 73.43 H new ATOM 0 HA THR A 24 2.372 -5.200 7.850 1.00 4.25 H new ATOM 0 HB THR A 24 0.160 -5.102 8.721 1.00 44.15 H new ATOM 0 HG1 THR A 24 -0.080 -7.364 9.163 1.00 1.35 H new ATOM 0 HG21 THR A 24 -1.693 -6.422 7.653 1.00 72.35 H new ATOM 0 HG22 THR A 24 -1.139 -5.096 6.603 1.00 72.35 H new ATOM 0 HG23 THR A 24 -0.629 -6.768 6.269 1.00 72.35 H new ATOM 351 N GLY A 25 2.495 -7.426 6.297 1.00 31.44 N ATOM 352 CA GLY A 25 2.845 -8.378 5.248 1.00 35.12 C ATOM 353 C GLY A 25 4.312 -8.498 5.229 1.00 73.42 C ATOM 354 O GLY A 25 4.988 -7.971 6.114 1.00 72.32 O ATOM 0 H GLY A 25 2.734 -7.723 7.243 1.00 31.44 H new ATOM 0 HA2 GLY A 25 2.384 -9.347 5.440 1.00 35.12 H new ATOM 0 HA3 GLY A 25 2.476 -8.036 4.281 1.00 35.12 H new ATOM 358 N GLY A 26 4.856 -9.228 4.235 1.00 13.35 N ATOM 359 CA GLY A 26 6.282 -9.376 4.121 1.00 31.42 C ATOM 360 C GLY A 26 6.613 -10.837 4.049 1.00 1.41 C ATOM 361 O GLY A 26 6.066 -11.574 3.227 1.00 11.42 O ATOM 0 H GLY A 26 4.318 -9.712 3.516 1.00 13.35 H new ATOM 0 HA2 GLY A 26 6.645 -8.863 3.230 1.00 31.42 H new ATOM 0 HA3 GLY A 26 6.778 -8.918 4.977 1.00 31.42 H new ATOM 365 N VAL A 27 7.544 -11.271 4.932 1.00 71.22 N ATOM 366 CA VAL A 27 8.197 -12.592 4.930 1.00 1.41 C ATOM 367 C VAL A 27 7.258 -13.708 5.394 1.00 43.04 C ATOM 368 O VAL A 27 7.727 -14.745 5.870 1.00 24.20 O ATOM 369 CB VAL A 27 9.457 -12.611 5.781 1.00 61.23 C ATOM 370 CG1 VAL A 27 10.506 -11.726 5.084 1.00 61.12 C ATOM 371 CG2 VAL A 27 9.116 -12.126 7.217 1.00 33.13 C ATOM 0 H VAL A 27 7.871 -10.680 5.697 1.00 71.22 H new ATOM 0 HA VAL A 27 8.471 -12.778 3.892 1.00 1.41 H new ATOM 0 HB VAL A 27 9.867 -13.616 5.879 1.00 61.23 H new ATOM 0 HG11 VAL A 27 11.424 -11.719 5.671 1.00 61.12 H new ATOM 0 HG12 VAL A 27 10.714 -12.122 4.090 1.00 61.12 H new ATOM 0 HG13 VAL A 27 10.124 -10.709 4.996 1.00 61.12 H new ATOM 0 HG21 VAL A 27 10.018 -12.139 7.829 1.00 33.13 H new ATOM 0 HG22 VAL A 27 8.721 -11.111 7.174 1.00 33.13 H new ATOM 0 HG23 VAL A 27 8.370 -12.788 7.657 1.00 33.13 H new ATOM 381 N ASN A 28 5.937 -13.471 5.351 1.00 40.41 N ATOM 382 CA ASN A 28 4.927 -14.335 5.982 1.00 62.43 C ATOM 383 C ASN A 28 4.789 -13.869 7.354 1.00 43.54 C ATOM 384 O ASN A 28 5.117 -14.538 8.330 1.00 14.22 O ATOM 385 CB ASN A 28 5.081 -15.888 5.943 1.00 43.25 C ATOM 386 CG ASN A 28 4.895 -16.341 4.503 1.00 22.44 C ATOM 387 OD1 ASN A 28 5.768 -16.148 3.662 1.00 53.12 O ATOM 388 ND2 ASN A 28 3.737 -16.949 4.193 1.00 24.32 N ATOM 0 H ASN A 28 5.536 -12.665 4.872 1.00 40.41 H new ATOM 0 HA ASN A 28 4.042 -14.223 5.355 1.00 62.43 H new ATOM 0 HB2 ASN A 28 6.063 -16.183 6.312 1.00 43.25 H new ATOM 0 HB3 ASN A 28 4.342 -16.361 6.590 1.00 43.25 H new ATOM 0 HD21 ASN A 28 3.566 -17.263 3.238 1.00 24.32 H new ATOM 0 HD22 ASN A 28 3.029 -17.096 4.913 1.00 24.32 H new ATOM 395 N THR A 29 4.294 -12.662 7.404 1.00 73.20 N ATOM 396 CA THR A 29 3.846 -12.007 8.572 1.00 24.05 C ATOM 397 C THR A 29 2.429 -12.570 8.795 1.00 61.14 C ATOM 398 O THR A 29 2.085 -13.619 8.232 1.00 11.51 O ATOM 399 CB THR A 29 3.835 -10.490 8.363 1.00 70.21 C ATOM 400 OG1 THR A 29 5.021 -10.133 7.633 1.00 30.31 O ATOM 401 CG2 THR A 29 3.863 -9.759 9.723 1.00 73.01 C ATOM 0 H THR A 29 4.193 -12.085 6.569 1.00 73.20 H new ATOM 0 HA THR A 29 4.489 -12.177 9.436 1.00 24.05 H new ATOM 0 HB THR A 29 2.933 -10.205 7.822 1.00 70.21 H new ATOM 0 HG1 THR A 29 5.009 -9.172 7.439 1.00 30.31 H new ATOM 0 HG21 THR A 29 3.855 -8.682 9.557 1.00 73.01 H new ATOM 0 HG22 THR A 29 2.987 -10.043 10.307 1.00 73.01 H new ATOM 0 HG23 THR A 29 4.767 -10.036 10.266 1.00 73.01 H new ATOM 409 N SER A 30 1.632 -11.933 9.658 1.00 34.30 N ATOM 410 CA SER A 30 0.276 -12.358 10.011 1.00 1.10 C ATOM 411 C SER A 30 -0.531 -12.805 8.774 1.00 25.20 C ATOM 412 O SER A 30 -1.268 -13.791 8.837 1.00 4.45 O ATOM 413 CB SER A 30 -0.480 -11.197 10.689 1.00 53.04 C ATOM 414 OG SER A 30 -0.178 -9.959 10.018 1.00 2.12 O ATOM 0 H SER A 30 1.921 -11.084 10.143 1.00 34.30 H new ATOM 0 HA SER A 30 0.374 -13.205 10.690 1.00 1.10 H new ATOM 0 HB2 SER A 30 -1.553 -11.384 10.660 1.00 53.04 H new ATOM 0 HB3 SER A 30 -0.196 -11.130 11.739 1.00 53.04 H new ATOM 0 HG SER A 30 -0.662 -9.225 10.452 1.00 2.12 H new ATOM 420 N VAL A 31 -0.403 -12.082 7.644 1.00 24.03 N ATOM 421 CA VAL A 31 -1.167 -12.397 6.459 1.00 22.02 C ATOM 422 C VAL A 31 -0.469 -13.546 5.718 1.00 74.44 C ATOM 423 O VAL A 31 0.768 -13.597 5.632 1.00 13.43 O ATOM 424 CB VAL A 31 -1.332 -11.200 5.541 1.00 72.22 C ATOM 425 CG1 VAL A 31 -2.233 -10.174 6.273 1.00 62.04 C ATOM 426 CG2 VAL A 31 0.066 -10.624 5.204 1.00 63.41 C ATOM 0 H VAL A 31 0.223 -11.283 7.544 1.00 24.03 H new ATOM 0 HA VAL A 31 -2.170 -12.693 6.766 1.00 22.02 H new ATOM 0 HB VAL A 31 -1.804 -11.469 4.596 1.00 72.22 H new ATOM 0 HG11 VAL A 31 -2.374 -9.297 5.641 1.00 62.04 H new ATOM 0 HG12 VAL A 31 -3.201 -10.627 6.486 1.00 62.04 H new ATOM 0 HG13 VAL A 31 -1.759 -9.875 7.208 1.00 62.04 H new ATOM 0 HG21 VAL A 31 -0.044 -9.763 4.544 1.00 63.41 H new ATOM 0 HG22 VAL A 31 0.564 -10.315 6.123 1.00 63.41 H new ATOM 0 HG23 VAL A 31 0.664 -11.388 4.707 1.00 63.41 H new ATOM 436 N ARG A 32 -1.274 -14.521 5.207 1.00 33.44 N ATOM 437 CA ARG A 32 -0.746 -15.759 4.629 1.00 20.35 C ATOM 438 C ARG A 32 -0.084 -15.464 3.313 1.00 15.34 C ATOM 439 O ARG A 32 0.988 -15.989 3.016 1.00 50.23 O ATOM 440 CB ARG A 32 -1.875 -16.819 4.410 1.00 14.53 C ATOM 441 CG ARG A 32 -1.400 -18.251 4.081 1.00 63.50 C ATOM 442 CD ARG A 32 -1.052 -18.513 2.595 1.00 15.11 C ATOM 443 NE ARG A 32 -0.547 -19.928 2.498 1.00 32.30 N ATOM 444 CZ ARG A 32 -1.204 -20.917 1.783 1.00 31.14 C ATOM 445 NH1 ARG A 32 -2.321 -20.631 1.041 1.00 14.25 N ATOM 446 NH2 ARG A 32 -0.731 -22.189 1.821 1.00 43.00 N ATOM 0 H ARG A 32 -2.292 -14.458 5.191 1.00 33.44 H new ATOM 0 HA ARG A 32 -0.021 -16.170 5.331 1.00 20.35 H new ATOM 0 HB2 ARG A 32 -2.489 -16.858 5.309 1.00 14.53 H new ATOM 0 HB3 ARG A 32 -2.518 -16.475 3.600 1.00 14.53 H new ATOM 0 HG2 ARG A 32 -0.521 -18.471 4.686 1.00 63.50 H new ATOM 0 HG3 ARG A 32 -2.179 -18.952 4.383 1.00 63.50 H new ATOM 0 HD2 ARG A 32 -1.930 -18.374 1.964 1.00 15.11 H new ATOM 0 HD3 ARG A 32 -0.295 -17.810 2.247 1.00 15.11 H new ATOM 0 HE ARG A 32 0.318 -20.170 2.981 1.00 32.30 H new ATOM 0 HH11 ARG A 32 -2.681 -19.677 1.009 1.00 14.25 H new ATOM 0 HH12 ARG A 32 -2.791 -21.372 0.521 1.00 14.25 H new ATOM 0 HH21 ARG A 32 0.099 -22.408 2.372 1.00 43.00 H new ATOM 0 HH22 ARG A 32 -1.206 -22.926 1.299 1.00 43.00 H new ATOM 460 N HIS A 33 -0.709 -14.607 2.479 1.00 45.20 N ATOM 461 CA HIS A 33 -0.212 -14.364 1.109 1.00 71.23 C ATOM 462 C HIS A 33 1.039 -13.509 1.186 1.00 14.54 C ATOM 463 O HIS A 33 1.719 -13.281 0.195 1.00 12.23 O ATOM 464 CB HIS A 33 -1.262 -13.635 0.223 1.00 33.30 C ATOM 465 CG HIS A 33 -1.029 -13.770 -1.268 1.00 52.54 C ATOM 466 ND1 HIS A 33 -0.184 -12.957 -1.979 1.00 32.23 N ATOM 467 CD2 HIS A 33 -1.577 -14.633 -2.148 1.00 22.34 C ATOM 468 CE1 HIS A 33 -0.226 -13.325 -3.253 1.00 43.02 C ATOM 469 NE2 HIS A 33 -1.068 -14.340 -3.372 1.00 61.52 N ATOM 0 H HIS A 33 -1.546 -14.079 2.725 1.00 45.20 H new ATOM 0 HA HIS A 33 -0.003 -15.332 0.653 1.00 71.23 H new ATOM 0 HB2 HIS A 33 -2.252 -14.025 0.460 1.00 33.30 H new ATOM 0 HB3 HIS A 33 -1.266 -12.576 0.483 1.00 33.30 H new ATOM 0 HD2 HIS A 33 -2.289 -15.413 -1.921 1.00 22.34 H new ATOM 0 HE1 HIS A 33 0.333 -12.872 -4.058 1.00 43.02 H new ATOM 0 HE2 HIS A 33 -1.297 -14.823 -4.241 1.00 61.52 H new ATOM 478 N GLY A 34 1.373 -13.053 2.414 1.00 13.32 N ATOM 479 CA GLY A 34 2.550 -12.216 2.671 1.00 14.24 C ATOM 480 C GLY A 34 2.425 -10.872 1.996 1.00 54.10 C ATOM 481 O GLY A 34 3.356 -10.085 2.034 1.00 74.41 O ATOM 0 H GLY A 34 0.828 -13.259 3.251 1.00 13.32 H new ATOM 0 HA2 GLY A 34 2.672 -12.076 3.745 1.00 14.24 H new ATOM 0 HA3 GLY A 34 3.445 -12.724 2.312 1.00 14.24 H new ATOM 485 N GLY A 35 1.274 -10.605 1.337 1.00 40.41 N ATOM 486 CA GLY A 35 1.081 -9.381 0.578 1.00 34.32 C ATOM 487 C GLY A 35 1.206 -8.217 1.475 1.00 25.52 C ATOM 488 O GLY A 35 0.914 -8.304 2.662 1.00 15.13 O ATOM 0 H GLY A 35 0.471 -11.234 1.325 1.00 40.41 H new ATOM 0 HA2 GLY A 35 1.819 -9.317 -0.222 1.00 34.32 H new ATOM 0 HA3 GLY A 35 0.099 -9.385 0.106 1.00 34.32 H new ATOM 492 N ILE A 36 1.665 -7.086 0.917 1.00 20.02 N ATOM 493 CA ILE A 36 1.850 -5.905 1.687 1.00 63.13 C ATOM 494 C ILE A 36 0.498 -5.242 1.738 1.00 42.11 C ATOM 495 O ILE A 36 0.151 -4.441 0.870 1.00 51.43 O ATOM 496 CB ILE A 36 2.878 -4.950 1.078 1.00 32.04 C ATOM 497 CG1 ILE A 36 4.204 -5.696 0.752 1.00 43.51 C ATOM 498 CG2 ILE A 36 3.080 -3.756 2.032 1.00 74.32 C ATOM 499 CD1 ILE A 36 4.895 -6.322 1.975 1.00 42.15 C ATOM 0 H ILE A 36 1.908 -6.992 -0.069 1.00 20.02 H new ATOM 0 HA ILE A 36 2.237 -6.160 2.674 1.00 63.13 H new ATOM 0 HB ILE A 36 2.512 -4.562 0.127 1.00 32.04 H new ATOM 0 HG12 ILE A 36 3.996 -6.481 0.025 1.00 43.51 H new ATOM 0 HG13 ILE A 36 4.893 -4.997 0.278 1.00 43.51 H new ATOM 0 HG21 ILE A 36 3.812 -3.070 1.606 1.00 74.32 H new ATOM 0 HG22 ILE A 36 2.132 -3.236 2.170 1.00 74.32 H new ATOM 0 HG23 ILE A 36 3.439 -4.117 2.996 1.00 74.32 H new ATOM 0 HD11 ILE A 36 5.811 -6.822 1.659 1.00 42.15 H new ATOM 0 HD12 ILE A 36 5.138 -5.541 2.695 1.00 42.15 H new ATOM 0 HD13 ILE A 36 4.227 -7.048 2.439 1.00 42.15 H new ATOM 511 N TYR A 37 -0.319 -5.619 2.733 1.00 40.20 N ATOM 512 CA TYR A 37 -1.659 -5.109 2.819 1.00 50.31 C ATOM 513 C TYR A 37 -1.586 -3.866 3.605 1.00 70.30 C ATOM 514 O TYR A 37 -0.809 -3.765 4.548 1.00 12.34 O ATOM 515 CB TYR A 37 -2.675 -6.039 3.550 1.00 64.30 C ATOM 516 CG TYR A 37 -2.843 -7.296 2.753 1.00 41.15 C ATOM 517 CD1 TYR A 37 -3.792 -7.370 1.712 1.00 60.25 C ATOM 518 CD2 TYR A 37 -2.051 -8.424 3.031 1.00 35.50 C ATOM 519 CE1 TYR A 37 -3.930 -8.548 0.954 1.00 33.50 C ATOM 520 CE2 TYR A 37 -2.185 -9.602 2.276 1.00 24.21 C ATOM 521 CZ TYR A 37 -3.119 -9.664 1.233 1.00 73.51 C ATOM 522 OH TYR A 37 -3.236 -10.836 0.462 1.00 30.44 O ATOM 0 H TYR A 37 -0.061 -6.270 3.474 1.00 40.20 H new ATOM 0 HA TYR A 37 -2.018 -4.993 1.796 1.00 50.31 H new ATOM 0 HB2 TYR A 37 -2.317 -6.273 4.553 1.00 64.30 H new ATOM 0 HB3 TYR A 37 -3.634 -5.534 3.664 1.00 64.30 H new ATOM 0 HD1 TYR A 37 -4.417 -6.517 1.495 1.00 60.25 H new ATOM 0 HD2 TYR A 37 -1.331 -8.385 3.835 1.00 35.50 H new ATOM 0 HE1 TYR A 37 -4.658 -8.596 0.158 1.00 33.50 H new ATOM 0 HE2 TYR A 37 -1.568 -10.460 2.500 1.00 24.21 H new ATOM 0 HH TYR A 37 -3.516 -10.603 -0.448 1.00 30.44 H new ATOM 532 N VAL A 38 -2.412 -2.882 3.243 1.00 70.21 N ATOM 533 CA VAL A 38 -2.547 -1.692 4.026 1.00 12.05 C ATOM 534 C VAL A 38 -3.177 -2.109 5.339 1.00 24.10 C ATOM 535 O VAL A 38 -4.107 -2.918 5.367 1.00 24.22 O ATOM 536 CB VAL A 38 -3.383 -0.625 3.346 1.00 32.51 C ATOM 537 CG1 VAL A 38 -3.470 0.614 4.256 1.00 44.41 C ATOM 538 CG2 VAL A 38 -2.735 -0.316 1.974 1.00 21.04 C ATOM 0 H VAL A 38 -2.993 -2.904 2.405 1.00 70.21 H new ATOM 0 HA VAL A 38 -1.566 -1.239 4.171 1.00 12.05 H new ATOM 0 HB VAL A 38 -4.405 -0.962 3.174 1.00 32.51 H new ATOM 0 HG11 VAL A 38 -4.071 1.382 3.769 1.00 44.41 H new ATOM 0 HG12 VAL A 38 -3.933 0.338 5.203 1.00 44.41 H new ATOM 0 HG13 VAL A 38 -2.468 1.000 4.441 1.00 44.41 H new ATOM 0 HG21 VAL A 38 -3.317 0.450 1.461 1.00 21.04 H new ATOM 0 HG22 VAL A 38 -1.717 0.042 2.125 1.00 21.04 H new ATOM 0 HG23 VAL A 38 -2.715 -1.222 1.369 1.00 21.04 H new ATOM 548 N LYS A 39 -2.607 -1.609 6.440 1.00 33.34 N ATOM 549 CA LYS A 39 -2.907 -2.097 7.758 1.00 62.30 C ATOM 550 C LYS A 39 -3.794 -1.091 8.394 1.00 4.04 C ATOM 551 O LYS A 39 -4.766 -1.431 9.047 1.00 53.53 O ATOM 552 CB LYS A 39 -1.610 -2.196 8.611 1.00 11.13 C ATOM 553 CG LYS A 39 -1.800 -2.578 10.090 1.00 51.22 C ATOM 554 CD LYS A 39 -0.463 -2.631 10.857 1.00 64.53 C ATOM 555 CE LYS A 39 -0.609 -2.700 12.390 1.00 1.41 C ATOM 556 NZ LYS A 39 -1.362 -3.898 12.812 1.00 64.04 N ATOM 0 H LYS A 39 -1.924 -0.852 6.425 1.00 33.34 H new ATOM 0 HA LYS A 39 -3.367 -3.083 7.696 1.00 62.30 H new ATOM 0 HB2 LYS A 39 -0.951 -2.931 8.149 1.00 11.13 H new ATOM 0 HB3 LYS A 39 -1.097 -1.235 8.568 1.00 11.13 H new ATOM 0 HG2 LYS A 39 -2.462 -1.855 10.567 1.00 51.22 H new ATOM 0 HG3 LYS A 39 -2.291 -3.549 10.152 1.00 51.22 H new ATOM 0 HD2 LYS A 39 0.101 -3.500 10.519 1.00 64.53 H new ATOM 0 HD3 LYS A 39 0.124 -1.750 10.600 1.00 64.53 H new ATOM 0 HE2 LYS A 39 0.379 -2.710 12.850 1.00 1.41 H new ATOM 0 HE3 LYS A 39 -1.118 -1.805 12.748 1.00 1.41 H new ATOM 0 HZ1 LYS A 39 -1.441 -3.911 13.849 1.00 64.04 H new ATOM 0 HZ2 LYS A 39 -2.314 -3.875 12.393 1.00 64.04 H new ATOM 0 HZ3 LYS A 39 -0.863 -4.752 12.492 1.00 64.04 H new ATOM 570 N ALA A 40 -3.459 0.182 8.231 1.00 31.32 N ATOM 571 CA ALA A 40 -4.203 1.209 8.879 1.00 45.31 C ATOM 572 C ALA A 40 -4.184 2.341 7.960 1.00 54.41 C ATOM 573 O ALA A 40 -3.238 2.491 7.180 1.00 14.12 O ATOM 574 CB ALA A 40 -3.585 1.692 10.205 1.00 35.34 C ATOM 0 H ALA A 40 -2.681 0.508 7.657 1.00 31.32 H new ATOM 0 HA ALA A 40 -5.193 0.819 9.116 1.00 45.31 H new ATOM 0 HB1 ALA A 40 -4.211 2.474 10.635 1.00 35.34 H new ATOM 0 HB2 ALA A 40 -3.519 0.856 10.901 1.00 35.34 H new ATOM 0 HB3 ALA A 40 -2.587 2.088 10.018 1.00 35.34 H new ATOM 580 N VAL A 41 -5.235 3.154 8.017 1.00 72.55 N ATOM 581 CA VAL A 41 -5.282 4.354 7.254 1.00 4.02 C ATOM 582 C VAL A 41 -5.838 5.378 8.194 1.00 54.34 C ATOM 583 O VAL A 41 -6.844 5.129 8.874 1.00 10.43 O ATOM 584 CB VAL A 41 -6.175 4.279 6.008 1.00 3.31 C ATOM 585 CG1 VAL A 41 -6.004 5.573 5.189 1.00 41.11 C ATOM 586 CG2 VAL A 41 -5.785 3.030 5.201 1.00 45.12 C ATOM 0 H VAL A 41 -6.060 2.984 8.593 1.00 72.55 H new ATOM 0 HA VAL A 41 -4.286 4.579 6.873 1.00 4.02 H new ATOM 0 HB VAL A 41 -7.227 4.194 6.280 1.00 3.31 H new ATOM 0 HG11 VAL A 41 -6.635 5.528 4.302 1.00 41.11 H new ATOM 0 HG12 VAL A 41 -6.294 6.430 5.797 1.00 41.11 H new ATOM 0 HG13 VAL A 41 -4.962 5.678 4.888 1.00 41.11 H new ATOM 0 HG21 VAL A 41 -6.411 2.962 4.311 1.00 45.12 H new ATOM 0 HG22 VAL A 41 -4.739 3.101 4.904 1.00 45.12 H new ATOM 0 HG23 VAL A 41 -5.929 2.141 5.815 1.00 45.12 H new ATOM 596 N ILE A 42 -5.182 6.547 8.256 1.00 13.23 N ATOM 597 CA ILE A 42 -5.653 7.643 9.077 1.00 74.33 C ATOM 598 C ILE A 42 -6.912 8.157 8.389 1.00 31.10 C ATOM 599 O ILE A 42 -6.956 8.237 7.158 1.00 20.51 O ATOM 600 CB ILE A 42 -4.637 8.731 9.212 1.00 12.51 C ATOM 601 CG1 ILE A 42 -3.438 8.153 9.971 1.00 70.24 C ATOM 602 CG2 ILE A 42 -5.238 9.986 9.921 1.00 13.14 C ATOM 603 CD1 ILE A 42 -2.452 9.209 10.290 1.00 21.43 C ATOM 0 H ILE A 42 -4.324 6.745 7.742 1.00 13.23 H new ATOM 0 HA ILE A 42 -5.849 7.305 10.095 1.00 74.33 H new ATOM 0 HB ILE A 42 -4.314 9.076 8.230 1.00 12.51 H new ATOM 0 HG12 ILE A 42 -3.780 7.680 10.892 1.00 70.24 H new ATOM 0 HG13 ILE A 42 -2.963 7.377 9.371 1.00 70.24 H new ATOM 0 HG21 ILE A 42 -4.473 10.758 10.003 1.00 13.14 H new ATOM 0 HG22 ILE A 42 -6.077 10.366 9.338 1.00 13.14 H new ATOM 0 HG23 ILE A 42 -5.584 9.710 10.917 1.00 13.14 H new ATOM 0 HD11 ILE A 42 -1.611 8.771 10.829 1.00 21.43 H new ATOM 0 HD12 ILE A 42 -2.094 9.664 9.366 1.00 21.43 H new ATOM 0 HD13 ILE A 42 -2.923 9.971 10.911 1.00 21.43 H new ATOM 615 N PRO A 43 -7.968 8.469 9.173 1.00 45.03 N ATOM 616 CA PRO A 43 -9.200 9.011 8.630 1.00 20.41 C ATOM 617 C PRO A 43 -8.882 10.280 7.880 1.00 55.21 C ATOM 618 O PRO A 43 -8.265 11.185 8.454 1.00 14.43 O ATOM 619 CB PRO A 43 -10.115 9.247 9.853 1.00 71.43 C ATOM 620 CG PRO A 43 -9.156 9.233 11.067 1.00 44.40 C ATOM 621 CD PRO A 43 -8.031 8.292 10.627 1.00 43.14 C ATOM 0 HA PRO A 43 -9.697 8.351 7.919 1.00 20.41 H new ATOM 0 HB2 PRO A 43 -10.643 10.198 9.776 1.00 71.43 H new ATOM 0 HB3 PRO A 43 -10.873 8.468 9.937 1.00 71.43 H new ATOM 0 HG2 PRO A 43 -8.779 10.231 11.292 1.00 44.40 H new ATOM 0 HG3 PRO A 43 -9.653 8.870 11.967 1.00 44.40 H new ATOM 0 HD2 PRO A 43 -7.085 8.552 11.102 1.00 43.14 H new ATOM 0 HD3 PRO A 43 -8.248 7.258 10.894 1.00 43.14 H new ATOM 629 N GLN A 44 -9.264 10.324 6.588 1.00 21.50 N ATOM 630 CA GLN A 44 -8.946 11.399 5.677 1.00 3.13 C ATOM 631 C GLN A 44 -7.439 11.649 5.587 1.00 1.52 C ATOM 632 O GLN A 44 -6.992 12.773 5.312 1.00 42.02 O ATOM 633 CB GLN A 44 -9.729 12.704 5.912 1.00 33.41 C ATOM 634 CG GLN A 44 -9.947 13.511 4.623 1.00 3.41 C ATOM 635 CD GLN A 44 -10.903 14.641 4.926 1.00 71.54 C ATOM 636 OE1 GLN A 44 -12.041 14.653 4.441 1.00 30.25 O ATOM 637 NE2 GLN A 44 -10.462 15.613 5.733 1.00 0.42 N ATOM 0 H GLN A 44 -9.817 9.584 6.155 1.00 21.50 H new ATOM 0 HA GLN A 44 -9.289 11.042 4.706 1.00 3.13 H new ATOM 0 HB2 GLN A 44 -10.697 12.467 6.354 1.00 33.41 H new ATOM 0 HB3 GLN A 44 -9.191 13.319 6.633 1.00 33.41 H new ATOM 0 HG2 GLN A 44 -8.999 13.904 4.256 1.00 3.41 H new ATOM 0 HG3 GLN A 44 -10.352 12.871 3.839 1.00 3.41 H new ATOM 0 HE21 GLN A 44 -9.517 15.570 6.115 1.00 0.42 H new ATOM 0 HE22 GLN A 44 -11.071 16.397 5.967 1.00 0.42 H new ATOM 646 N GLY A 45 -6.623 10.570 5.730 1.00 23.22 N ATOM 647 CA GLY A 45 -5.205 10.643 5.422 1.00 64.41 C ATOM 648 C GLY A 45 -5.121 10.598 3.930 1.00 60.30 C ATOM 649 O GLY A 45 -6.152 10.565 3.261 1.00 22.11 O ATOM 0 H GLY A 45 -6.938 9.656 6.055 1.00 23.22 H new ATOM 0 HA2 GLY A 45 -4.765 11.560 5.813 1.00 64.41 H new ATOM 0 HA3 GLY A 45 -4.662 9.812 5.872 1.00 64.41 H new ATOM 653 N ALA A 46 -3.897 10.608 3.357 1.00 24.55 N ATOM 654 CA ALA A 46 -3.743 10.807 1.914 1.00 62.11 C ATOM 655 C ALA A 46 -4.439 9.692 1.172 1.00 63.20 C ATOM 656 O ALA A 46 -5.141 9.933 0.200 1.00 43.23 O ATOM 657 CB ALA A 46 -2.264 10.861 1.444 1.00 32.11 C ATOM 0 H ALA A 46 -3.022 10.483 3.867 1.00 24.55 H new ATOM 0 HA ALA A 46 -4.189 11.777 1.694 1.00 62.11 H new ATOM 0 HB1 ALA A 46 -2.230 11.010 0.365 1.00 32.11 H new ATOM 0 HB2 ALA A 46 -1.754 11.687 1.941 1.00 32.11 H new ATOM 0 HB3 ALA A 46 -1.768 9.924 1.696 1.00 32.11 H new ATOM 663 N ALA A 47 -4.265 8.433 1.643 1.00 52.35 N ATOM 664 CA ALA A 47 -4.844 7.273 0.957 1.00 53.33 C ATOM 665 C ALA A 47 -6.362 7.390 0.968 1.00 11.33 C ATOM 666 O ALA A 47 -7.011 7.274 -0.065 1.00 63.41 O ATOM 667 CB ALA A 47 -4.481 5.944 1.656 1.00 64.12 C ATOM 0 H ALA A 47 -3.734 8.206 2.484 1.00 52.35 H new ATOM 0 HA ALA A 47 -4.443 7.265 -0.056 1.00 53.33 H new ATOM 0 HB1 ALA A 47 -4.931 5.113 1.113 1.00 64.12 H new ATOM 0 HB2 ALA A 47 -3.398 5.824 1.670 1.00 64.12 H new ATOM 0 HB3 ALA A 47 -4.858 5.956 2.679 1.00 64.12 H new ATOM 673 N GLU A 48 -6.936 7.638 2.160 1.00 61.11 N ATOM 674 CA GLU A 48 -8.387 7.645 2.341 1.00 3.10 C ATOM 675 C GLU A 48 -8.985 8.845 1.627 1.00 41.32 C ATOM 676 O GLU A 48 -10.047 8.756 1.024 1.00 0.15 O ATOM 677 CB GLU A 48 -8.774 7.718 3.838 1.00 30.21 C ATOM 678 CG GLU A 48 -10.280 7.620 4.124 1.00 42.31 C ATOM 679 CD GLU A 48 -10.798 6.272 3.664 1.00 73.44 C ATOM 680 OE1 GLU A 48 -10.188 5.228 4.014 1.00 31.42 O ATOM 681 OE2 GLU A 48 -11.829 6.238 2.966 1.00 14.13 O ATOM 0 H GLU A 48 -6.409 7.836 3.011 1.00 61.11 H new ATOM 0 HA GLU A 48 -8.776 6.716 1.924 1.00 3.10 H new ATOM 0 HB2 GLU A 48 -8.265 6.913 4.369 1.00 30.21 H new ATOM 0 HB3 GLU A 48 -8.402 8.656 4.249 1.00 30.21 H new ATOM 0 HG2 GLU A 48 -10.467 7.748 5.190 1.00 42.31 H new ATOM 0 HG3 GLU A 48 -10.811 8.420 3.609 1.00 42.31 H new ATOM 688 N SER A 49 -8.296 9.996 1.681 1.00 74.41 N ATOM 689 CA SER A 49 -8.781 11.224 1.066 1.00 44.15 C ATOM 690 C SER A 49 -8.814 11.013 -0.440 1.00 2.33 C ATOM 691 O SER A 49 -9.733 11.457 -1.124 1.00 13.41 O ATOM 692 CB SER A 49 -7.853 12.429 1.398 1.00 64.33 C ATOM 693 OG SER A 49 -8.404 13.680 0.969 1.00 55.33 O ATOM 0 H SER A 49 -7.395 10.093 2.150 1.00 74.41 H new ATOM 0 HA SER A 49 -9.774 11.451 1.454 1.00 44.15 H new ATOM 0 HB2 SER A 49 -7.677 12.463 2.473 1.00 64.33 H new ATOM 0 HB3 SER A 49 -6.884 12.280 0.921 1.00 64.33 H new ATOM 0 HG SER A 49 -8.204 14.371 1.634 1.00 55.33 H new ATOM 699 N ASP A 50 -7.811 10.288 -0.959 1.00 22.02 N ATOM 700 CA ASP A 50 -7.739 10.019 -2.397 1.00 72.34 C ATOM 701 C ASP A 50 -8.826 9.010 -2.729 1.00 52.23 C ATOM 702 O ASP A 50 -9.451 9.064 -3.784 1.00 44.25 O ATOM 703 CB ASP A 50 -6.372 9.475 -2.858 1.00 24.14 C ATOM 704 CG ASP A 50 -6.251 9.659 -4.361 1.00 12.41 C ATOM 705 OD1 ASP A 50 -6.480 10.801 -4.854 1.00 21.31 O ATOM 706 OD2 ASP A 50 -5.874 8.706 -5.047 1.00 53.30 O ATOM 0 H ASP A 50 -7.051 9.884 -0.411 1.00 22.02 H new ATOM 0 HA ASP A 50 -7.878 10.963 -2.923 1.00 72.34 H new ATOM 0 HB2 ASP A 50 -5.565 10.001 -2.348 1.00 24.14 H new ATOM 0 HB3 ASP A 50 -6.279 8.420 -2.599 1.00 24.14 H new ATOM 711 N GLY A 51 -9.119 8.108 -1.767 1.00 51.42 N ATOM 712 CA GLY A 51 -10.282 7.222 -1.858 1.00 31.33 C ATOM 713 C GLY A 51 -9.947 5.988 -2.628 1.00 1.14 C ATOM 714 O GLY A 51 -10.734 5.046 -2.680 1.00 61.34 O ATOM 0 H GLY A 51 -8.562 7.980 -0.922 1.00 51.42 H new ATOM 0 HA2 GLY A 51 -10.619 6.952 -0.857 1.00 31.33 H new ATOM 0 HA3 GLY A 51 -11.107 7.745 -2.341 1.00 31.33 H new ATOM 718 N ARG A 52 -8.791 5.971 -3.278 1.00 65.45 N ATOM 719 CA ARG A 52 -8.436 4.856 -4.120 1.00 42.32 C ATOM 720 C ARG A 52 -7.854 3.781 -3.261 1.00 1.45 C ATOM 721 O ARG A 52 -8.136 2.613 -3.453 1.00 72.35 O ATOM 722 CB ARG A 52 -7.422 5.233 -5.210 1.00 72.00 C ATOM 723 CG ARG A 52 -7.969 6.328 -6.136 1.00 13.41 C ATOM 724 CD ARG A 52 -6.975 6.787 -7.191 1.00 73.24 C ATOM 725 NE ARG A 52 -6.782 5.701 -8.207 1.00 31.00 N ATOM 726 CZ ARG A 52 -5.907 5.896 -9.263 1.00 22.32 C ATOM 727 NH1 ARG A 52 -5.091 6.991 -9.280 1.00 71.43 N ATOM 728 NH2 ARG A 52 -5.854 5.013 -10.280 1.00 70.33 N ATOM 0 H ARG A 52 -8.094 6.714 -3.234 1.00 65.45 H new ATOM 0 HA ARG A 52 -9.341 4.519 -4.626 1.00 42.32 H new ATOM 0 HB2 ARG A 52 -6.498 5.577 -4.745 1.00 72.00 H new ATOM 0 HB3 ARG A 52 -7.173 4.349 -5.798 1.00 72.00 H new ATOM 0 HG2 ARG A 52 -8.867 5.958 -6.631 1.00 13.41 H new ATOM 0 HG3 ARG A 52 -8.268 7.186 -5.533 1.00 13.41 H new ATOM 0 HD2 ARG A 52 -7.337 7.693 -7.677 1.00 73.24 H new ATOM 0 HD3 ARG A 52 -6.022 7.035 -6.724 1.00 73.24 H new ATOM 0 HE ARG A 52 -7.293 4.822 -8.121 1.00 31.00 H new ATOM 0 HH11 ARG A 52 -5.126 7.665 -8.515 1.00 71.43 H new ATOM 0 HH12 ARG A 52 -4.447 7.135 -10.057 1.00 71.43 H new ATOM 0 HH21 ARG A 52 -6.461 4.193 -10.276 1.00 70.33 H new ATOM 0 HH22 ARG A 52 -5.207 5.164 -11.054 1.00 70.33 H new ATOM 742 N ILE A 53 -7.022 4.160 -2.289 1.00 62.13 N ATOM 743 CA ILE A 53 -6.364 3.181 -1.467 1.00 21.14 C ATOM 744 C ILE A 53 -7.079 3.208 -0.140 1.00 45.10 C ATOM 745 O ILE A 53 -7.417 4.272 0.372 1.00 21.42 O ATOM 746 CB ILE A 53 -4.881 3.482 -1.277 1.00 4.34 C ATOM 747 CG1 ILE A 53 -4.203 3.606 -2.665 1.00 54.24 C ATOM 748 CG2 ILE A 53 -4.235 2.384 -0.386 1.00 40.11 C ATOM 749 CD1 ILE A 53 -2.719 3.939 -2.590 1.00 61.04 C ATOM 0 H ILE A 53 -6.799 5.130 -2.065 1.00 62.13 H new ATOM 0 HA ILE A 53 -6.408 2.200 -1.941 1.00 21.14 H new ATOM 0 HB ILE A 53 -4.743 4.432 -0.761 1.00 4.34 H new ATOM 0 HG12 ILE A 53 -4.330 2.669 -3.207 1.00 54.24 H new ATOM 0 HG13 ILE A 53 -4.712 4.379 -3.241 1.00 54.24 H new ATOM 0 HG21 ILE A 53 -3.175 2.601 -0.252 1.00 40.11 H new ATOM 0 HG22 ILE A 53 -4.728 2.367 0.586 1.00 40.11 H new ATOM 0 HG23 ILE A 53 -4.348 1.412 -0.867 1.00 40.11 H new ATOM 0 HD11 ILE A 53 -2.311 4.010 -3.598 1.00 61.04 H new ATOM 0 HD12 ILE A 53 -2.585 4.891 -2.076 1.00 61.04 H new ATOM 0 HD13 ILE A 53 -2.197 3.154 -2.042 1.00 61.04 H new ATOM 761 N HIS A 54 -7.351 2.025 0.417 1.00 64.30 N ATOM 762 CA HIS A 54 -7.992 1.919 1.700 1.00 41.43 C ATOM 763 C HIS A 54 -7.273 0.834 2.393 1.00 34.34 C ATOM 764 O HIS A 54 -6.315 0.267 1.861 1.00 31.11 O ATOM 765 CB HIS A 54 -9.486 1.503 1.623 1.00 72.31 C ATOM 766 CG HIS A 54 -10.373 2.539 0.998 1.00 74.31 C ATOM 767 ND1 HIS A 54 -10.638 3.754 1.589 1.00 10.21 N ATOM 768 CD2 HIS A 54 -11.083 2.486 -0.145 1.00 61.43 C ATOM 769 CE1 HIS A 54 -11.491 4.411 0.814 1.00 52.23 C ATOM 770 NE2 HIS A 54 -11.778 3.654 -0.243 1.00 45.43 N ATOM 0 H HIS A 54 -7.129 1.129 -0.017 1.00 64.30 H new ATOM 0 HA HIS A 54 -7.962 2.891 2.193 1.00 41.43 H new ATOM 0 HB2 HIS A 54 -9.567 0.578 1.053 1.00 72.31 H new ATOM 0 HB3 HIS A 54 -9.846 1.290 2.629 1.00 72.31 H new ATOM 0 HD1 HIS A 54 -10.247 4.090 2.469 1.00 10.21 H new ATOM 0 HD2 HIS A 54 -11.099 1.670 -0.852 1.00 61.43 H new ATOM 0 HE1 HIS A 54 -11.887 5.397 1.008 1.00 52.23 H new ATOM 779 N LYS A 55 -7.715 0.521 3.620 1.00 3.22 N ATOM 780 CA LYS A 55 -7.135 -0.552 4.386 1.00 4.52 C ATOM 781 C LYS A 55 -7.431 -1.840 3.702 1.00 53.40 C ATOM 782 O LYS A 55 -8.467 -1.989 3.043 1.00 3.51 O ATOM 783 CB LYS A 55 -7.595 -0.622 5.863 1.00 61.05 C ATOM 784 CG LYS A 55 -9.111 -0.862 6.095 1.00 13.10 C ATOM 785 CD LYS A 55 -9.609 -2.332 5.961 1.00 70.43 C ATOM 786 CE LYS A 55 -11.104 -2.487 6.289 1.00 53.43 C ATOM 787 NZ LYS A 55 -11.612 -3.824 5.901 1.00 14.42 N ATOM 0 H LYS A 55 -8.477 1.009 4.091 1.00 3.22 H new ATOM 0 HA LYS A 55 -6.064 -0.354 4.431 1.00 4.52 H new ATOM 0 HB2 LYS A 55 -7.042 -1.420 6.357 1.00 61.05 H new ATOM 0 HB3 LYS A 55 -7.316 0.310 6.354 1.00 61.05 H new ATOM 0 HG2 LYS A 55 -9.364 -0.505 7.093 1.00 13.10 H new ATOM 0 HG3 LYS A 55 -9.666 -0.247 5.387 1.00 13.10 H new ATOM 0 HD2 LYS A 55 -9.427 -2.681 4.945 1.00 70.43 H new ATOM 0 HD3 LYS A 55 -9.028 -2.970 6.627 1.00 70.43 H new ATOM 0 HE2 LYS A 55 -11.261 -2.333 7.357 1.00 53.43 H new ATOM 0 HE3 LYS A 55 -11.673 -1.716 5.769 1.00 53.43 H new ATOM 0 HZ1 LYS A 55 -12.533 -3.991 6.355 1.00 14.42 H new ATOM 0 HZ2 LYS A 55 -11.723 -3.867 4.868 1.00 14.42 H new ATOM 0 HZ3 LYS A 55 -10.937 -4.554 6.207 1.00 14.42 H new ATOM 801 N GLY A 56 -6.517 -2.789 3.799 1.00 51.00 N ATOM 802 CA GLY A 56 -6.774 -4.112 3.298 1.00 52.23 C ATOM 803 C GLY A 56 -6.407 -4.183 1.853 1.00 31.01 C ATOM 804 O GLY A 56 -6.495 -5.256 1.253 1.00 14.33 O ATOM 0 H GLY A 56 -5.596 -2.662 4.219 1.00 51.00 H new ATOM 0 HA2 GLY A 56 -6.199 -4.844 3.865 1.00 52.23 H new ATOM 0 HA3 GLY A 56 -7.827 -4.363 3.428 1.00 52.23 H new ATOM 808 N ASP A 57 -5.988 -3.038 1.240 1.00 3.40 N ATOM 809 CA ASP A 57 -5.598 -3.065 -0.164 1.00 50.51 C ATOM 810 C ASP A 57 -4.205 -3.591 -0.179 1.00 72.33 C ATOM 811 O ASP A 57 -3.537 -3.508 0.836 1.00 53.31 O ATOM 812 CB ASP A 57 -5.636 -1.692 -0.880 1.00 52.21 C ATOM 813 CG ASP A 57 -6.070 -1.933 -2.315 1.00 1.45 C ATOM 814 OD1 ASP A 57 -5.501 -2.815 -2.971 1.00 50.30 O ATOM 815 OD2 ASP A 57 -7.034 -1.263 -2.763 1.00 75.32 O ATOM 0 H ASP A 57 -5.920 -2.126 1.693 1.00 3.40 H new ATOM 0 HA ASP A 57 -6.314 -3.679 -0.710 1.00 50.51 H new ATOM 0 HB2 ASP A 57 -6.330 -1.018 -0.378 1.00 52.21 H new ATOM 0 HB3 ASP A 57 -4.655 -1.218 -0.851 1.00 52.21 H new ATOM 820 N ARG A 58 -3.744 -4.195 -1.293 1.00 43.35 N ATOM 821 CA ARG A 58 -2.452 -4.859 -1.262 1.00 45.25 C ATOM 822 C ARG A 58 -1.558 -4.224 -2.253 1.00 45.34 C ATOM 823 O ARG A 58 -1.888 -4.092 -3.427 1.00 10.13 O ATOM 824 CB ARG A 58 -2.471 -6.387 -1.496 1.00 32.10 C ATOM 825 CG ARG A 58 -3.206 -6.872 -2.752 1.00 15.21 C ATOM 826 CD ARG A 58 -3.181 -8.406 -2.857 1.00 41.41 C ATOM 827 NE ARG A 58 -3.993 -8.830 -4.054 1.00 45.11 N ATOM 828 CZ ARG A 58 -3.409 -9.417 -5.170 1.00 43.32 C ATOM 829 NH1 ARG A 58 -2.054 -9.595 -5.243 1.00 52.52 N ATOM 830 NH2 ARG A 58 -4.184 -9.809 -6.207 1.00 62.33 N ATOM 0 H ARG A 58 -4.234 -4.231 -2.187 1.00 43.35 H new ATOM 0 HA ARG A 58 -2.093 -4.736 -0.240 1.00 45.25 H new ATOM 0 HB2 ARG A 58 -1.440 -6.739 -1.545 1.00 32.10 H new ATOM 0 HB3 ARG A 58 -2.928 -6.861 -0.627 1.00 32.10 H new ATOM 0 HG2 ARG A 58 -4.239 -6.524 -2.729 1.00 15.21 H new ATOM 0 HG3 ARG A 58 -2.743 -6.437 -3.638 1.00 15.21 H new ATOM 0 HD2 ARG A 58 -2.155 -8.760 -2.954 1.00 41.41 H new ATOM 0 HD3 ARG A 58 -3.588 -8.852 -1.949 1.00 41.41 H new ATOM 0 HE ARG A 58 -5.002 -8.682 -4.045 1.00 45.11 H new ATOM 0 HH11 ARG A 58 -1.458 -9.295 -4.471 1.00 52.52 H new ATOM 0 HH12 ARG A 58 -1.640 -10.027 -6.069 1.00 52.52 H new ATOM 0 HH21 ARG A 58 -5.194 -9.673 -6.168 1.00 62.33 H new ATOM 0 HH22 ARG A 58 -3.758 -10.240 -7.027 1.00 62.33 H new ATOM 844 N VAL A 59 -0.381 -3.827 -1.776 1.00 64.12 N ATOM 845 CA VAL A 59 0.596 -3.202 -2.584 1.00 15.14 C ATOM 846 C VAL A 59 1.567 -4.296 -2.942 1.00 13.22 C ATOM 847 O VAL A 59 1.766 -5.248 -2.173 1.00 30.44 O ATOM 848 CB VAL A 59 1.334 -2.086 -1.829 1.00 13.22 C ATOM 849 CG1 VAL A 59 2.251 -1.308 -2.801 1.00 15.14 C ATOM 850 CG2 VAL A 59 0.271 -1.179 -1.160 1.00 40.24 C ATOM 0 H VAL A 59 -0.101 -3.943 -0.802 1.00 64.12 H new ATOM 0 HA VAL A 59 0.138 -2.735 -3.456 1.00 15.14 H new ATOM 0 HB VAL A 59 1.981 -2.495 -1.053 1.00 13.22 H new ATOM 0 HG11 VAL A 59 2.771 -0.519 -2.258 1.00 15.14 H new ATOM 0 HG12 VAL A 59 2.981 -1.990 -3.237 1.00 15.14 H new ATOM 0 HG13 VAL A 59 1.648 -0.866 -3.595 1.00 15.14 H new ATOM 0 HG21 VAL A 59 0.768 -0.376 -0.616 1.00 40.24 H new ATOM 0 HG22 VAL A 59 -0.376 -0.752 -1.926 1.00 40.24 H new ATOM 0 HG23 VAL A 59 -0.328 -1.770 -0.467 1.00 40.24 H new ATOM 860 N LEU A 60 2.160 -4.201 -4.129 1.00 11.23 N ATOM 861 CA LEU A 60 3.185 -5.144 -4.519 1.00 72.14 C ATOM 862 C LEU A 60 4.426 -4.359 -4.763 1.00 41.21 C ATOM 863 O LEU A 60 5.513 -4.740 -4.304 1.00 22.15 O ATOM 864 CB LEU A 60 2.872 -5.998 -5.780 1.00 51.10 C ATOM 865 CG LEU A 60 1.921 -5.373 -6.805 1.00 31.30 C ATOM 866 CD1 LEU A 60 2.170 -5.918 -8.203 1.00 31.00 C ATOM 867 CD2 LEU A 60 0.457 -5.547 -6.406 1.00 11.04 C ATOM 0 H LEU A 60 1.947 -3.487 -4.825 1.00 11.23 H new ATOM 0 HA LEU A 60 3.273 -5.868 -3.709 1.00 72.14 H new ATOM 0 HB2 LEU A 60 3.813 -6.226 -6.281 1.00 51.10 H new ATOM 0 HB3 LEU A 60 2.447 -6.947 -5.453 1.00 51.10 H new ATOM 0 HG LEU A 60 2.132 -4.304 -6.819 1.00 31.30 H new ATOM 0 HD11 LEU A 60 1.477 -5.452 -8.904 1.00 31.00 H new ATOM 0 HD12 LEU A 60 3.194 -5.696 -8.503 1.00 31.00 H new ATOM 0 HD13 LEU A 60 2.017 -6.997 -8.205 1.00 31.00 H new ATOM 0 HD21 LEU A 60 -0.183 -5.089 -7.161 1.00 11.04 H new ATOM 0 HD22 LEU A 60 0.225 -6.609 -6.329 1.00 11.04 H new ATOM 0 HD23 LEU A 60 0.283 -5.067 -5.443 1.00 11.04 H new ATOM 879 N ALA A 61 4.302 -3.231 -5.478 1.00 53.25 N ATOM 880 CA ALA A 61 5.485 -2.469 -5.804 1.00 33.34 C ATOM 881 C ALA A 61 5.274 -1.052 -5.426 1.00 75.33 C ATOM 882 O ALA A 61 4.149 -0.586 -5.237 1.00 22.40 O ATOM 883 CB ALA A 61 5.869 -2.498 -7.299 1.00 14.21 C ATOM 0 H ALA A 61 3.422 -2.848 -5.824 1.00 53.25 H new ATOM 0 HA ALA A 61 6.298 -2.937 -5.248 1.00 33.34 H new ATOM 0 HB1 ALA A 61 6.768 -1.901 -7.456 1.00 14.21 H new ATOM 0 HB2 ALA A 61 6.059 -3.527 -7.606 1.00 14.21 H new ATOM 0 HB3 ALA A 61 5.052 -2.087 -7.892 1.00 14.21 H new ATOM 889 N VAL A 62 6.412 -0.367 -5.284 1.00 65.33 N ATOM 890 CA VAL A 62 6.465 0.990 -4.847 1.00 12.41 C ATOM 891 C VAL A 62 7.521 1.604 -5.698 1.00 41.11 C ATOM 892 O VAL A 62 8.675 1.261 -5.585 1.00 70.53 O ATOM 893 CB VAL A 62 6.869 1.149 -3.378 1.00 43.13 C ATOM 894 CG1 VAL A 62 6.872 2.653 -3.009 1.00 30.21 C ATOM 895 CG2 VAL A 62 5.891 0.320 -2.511 1.00 11.41 C ATOM 0 H VAL A 62 7.329 -0.768 -5.479 1.00 65.33 H new ATOM 0 HA VAL A 62 5.480 1.448 -4.932 1.00 12.41 H new ATOM 0 HB VAL A 62 7.877 0.775 -3.197 1.00 43.13 H new ATOM 0 HG11 VAL A 62 7.159 2.771 -1.964 1.00 30.21 H new ATOM 0 HG12 VAL A 62 7.584 3.182 -3.643 1.00 30.21 H new ATOM 0 HG13 VAL A 62 5.875 3.067 -3.160 1.00 30.21 H new ATOM 0 HG21 VAL A 62 6.162 0.420 -1.460 1.00 11.41 H new ATOM 0 HG22 VAL A 62 4.874 0.684 -2.660 1.00 11.41 H new ATOM 0 HG23 VAL A 62 5.947 -0.729 -2.802 1.00 11.41 H new ATOM 905 N ASN A 63 7.109 2.493 -6.612 1.00 53.34 N ATOM 906 CA ASN A 63 7.992 3.168 -7.577 1.00 25.22 C ATOM 907 C ASN A 63 8.949 2.201 -8.258 1.00 43.13 C ATOM 908 O ASN A 63 10.092 2.540 -8.550 1.00 31.31 O ATOM 909 CB ASN A 63 8.715 4.483 -7.094 1.00 62.34 C ATOM 910 CG ASN A 63 9.599 4.236 -5.863 1.00 0.14 C ATOM 911 OD1 ASN A 63 9.279 4.688 -4.754 1.00 34.35 O ATOM 912 ND2 ASN A 63 10.723 3.545 -6.036 1.00 31.14 N ATOM 0 H ASN A 63 6.132 2.770 -6.704 1.00 53.34 H new ATOM 0 HA ASN A 63 7.288 3.543 -8.320 1.00 25.22 H new ATOM 0 HB2 ASN A 63 9.326 4.879 -7.905 1.00 62.34 H new ATOM 0 HB3 ASN A 63 7.968 5.241 -6.858 1.00 62.34 H new ATOM 0 HD21 ASN A 63 11.345 3.376 -5.245 1.00 31.14 H new ATOM 0 HD22 ASN A 63 10.963 3.184 -6.959 1.00 31.14 H new ATOM 919 N GLY A 64 8.459 0.983 -8.574 1.00 53.41 N ATOM 920 CA GLY A 64 9.219 0.050 -9.376 1.00 1.35 C ATOM 921 C GLY A 64 10.031 -0.840 -8.486 1.00 73.53 C ATOM 922 O GLY A 64 10.837 -1.636 -8.975 1.00 20.10 O ATOM 0 H GLY A 64 7.544 0.641 -8.279 1.00 53.41 H new ATOM 0 HA2 GLY A 64 8.546 -0.550 -9.989 1.00 1.35 H new ATOM 0 HA3 GLY A 64 9.874 0.592 -10.059 1.00 1.35 H new ATOM 926 N VAL A 65 9.846 -0.743 -7.156 1.00 2.34 N ATOM 927 CA VAL A 65 10.618 -1.535 -6.251 1.00 20.30 C ATOM 928 C VAL A 65 9.685 -2.576 -5.762 1.00 64.43 C ATOM 929 O VAL A 65 8.643 -2.269 -5.191 1.00 1.41 O ATOM 930 CB VAL A 65 11.170 -0.757 -5.058 1.00 70.52 C ATOM 931 CG1 VAL A 65 11.954 -1.722 -4.130 1.00 54.33 C ATOM 932 CG2 VAL A 65 12.049 0.391 -5.604 1.00 64.25 C ATOM 0 H VAL A 65 9.169 -0.123 -6.712 1.00 2.34 H new ATOM 0 HA VAL A 65 11.494 -1.926 -6.769 1.00 20.30 H new ATOM 0 HB VAL A 65 10.371 -0.322 -4.457 1.00 70.52 H new ATOM 0 HG11 VAL A 65 12.348 -1.168 -3.278 1.00 54.33 H new ATOM 0 HG12 VAL A 65 11.287 -2.507 -3.774 1.00 54.33 H new ATOM 0 HG13 VAL A 65 12.779 -2.170 -4.684 1.00 54.33 H new ATOM 0 HG21 VAL A 65 12.457 0.964 -4.772 1.00 64.25 H new ATOM 0 HG22 VAL A 65 12.866 -0.025 -6.193 1.00 64.25 H new ATOM 0 HG23 VAL A 65 11.444 1.045 -6.233 1.00 64.25 H new ATOM 942 N SER A 66 10.030 -3.841 -6.012 1.00 2.34 N ATOM 943 CA SER A 66 9.261 -4.940 -5.502 1.00 32.00 C ATOM 944 C SER A 66 9.423 -4.945 -4.002 1.00 3.40 C ATOM 945 O SER A 66 10.506 -5.183 -3.488 1.00 70.20 O ATOM 946 CB SER A 66 9.722 -6.296 -6.058 1.00 41.11 C ATOM 947 OG SER A 66 9.706 -6.244 -7.484 1.00 23.21 O ATOM 0 H SER A 66 10.841 -4.113 -6.567 1.00 2.34 H new ATOM 0 HA SER A 66 8.223 -4.808 -5.807 1.00 32.00 H new ATOM 0 HB2 SER A 66 10.726 -6.528 -5.701 1.00 41.11 H new ATOM 0 HB3 SER A 66 9.066 -7.091 -5.703 1.00 41.11 H new ATOM 0 HG SER A 66 10.001 -7.106 -7.846 1.00 23.21 H new ATOM 953 N LEU A 67 8.341 -4.622 -3.285 1.00 1.12 N ATOM 954 CA LEU A 67 8.394 -4.559 -1.829 1.00 64.13 C ATOM 955 C LEU A 67 8.212 -5.947 -1.273 1.00 31.43 C ATOM 956 O LEU A 67 8.503 -6.199 -0.117 1.00 15.33 O ATOM 957 CB LEU A 67 7.321 -3.624 -1.213 1.00 32.24 C ATOM 958 CG LEU A 67 7.937 -2.453 -0.418 1.00 42.01 C ATOM 959 CD1 LEU A 67 8.654 -2.925 0.860 1.00 72.03 C ATOM 960 CD2 LEU A 67 8.835 -1.553 -1.284 1.00 64.35 C ATOM 0 H LEU A 67 7.430 -4.403 -3.688 1.00 1.12 H new ATOM 0 HA LEU A 67 9.366 -4.145 -1.563 1.00 64.13 H new ATOM 0 HB2 LEU A 67 6.692 -3.226 -2.009 1.00 32.24 H new ATOM 0 HB3 LEU A 67 6.674 -4.204 -0.555 1.00 32.24 H new ATOM 0 HG LEU A 67 7.099 -1.834 -0.098 1.00 42.01 H new ATOM 0 HD11 LEU A 67 9.070 -2.064 1.383 1.00 72.03 H new ATOM 0 HD12 LEU A 67 7.942 -3.435 1.509 1.00 72.03 H new ATOM 0 HD13 LEU A 67 9.458 -3.611 0.594 1.00 72.03 H new ATOM 0 HD21 LEU A 67 9.240 -0.747 -0.672 1.00 64.35 H new ATOM 0 HD22 LEU A 67 9.654 -2.144 -1.695 1.00 64.35 H new ATOM 0 HD23 LEU A 67 8.248 -1.130 -2.099 1.00 64.35 H new ATOM 972 N GLU A 68 7.741 -6.886 -2.112 1.00 24.31 N ATOM 973 CA GLU A 68 7.569 -8.268 -1.697 1.00 60.21 C ATOM 974 C GLU A 68 8.918 -8.843 -1.288 1.00 21.04 C ATOM 975 O GLU A 68 9.975 -8.434 -1.800 1.00 10.43 O ATOM 976 CB GLU A 68 6.902 -9.182 -2.742 1.00 42.34 C ATOM 977 CG GLU A 68 7.584 -9.169 -4.122 1.00 12.23 C ATOM 978 CD GLU A 68 6.813 -10.087 -5.039 1.00 65.55 C ATOM 979 OE1 GLU A 68 5.818 -10.699 -4.581 1.00 45.51 O ATOM 980 OE2 GLU A 68 7.177 -10.197 -6.214 1.00 5.45 O ATOM 0 H GLU A 68 7.476 -6.702 -3.080 1.00 24.31 H new ATOM 0 HA GLU A 68 6.877 -8.244 -0.855 1.00 60.21 H new ATOM 0 HB2 GLU A 68 6.895 -10.204 -2.363 1.00 42.34 H new ATOM 0 HB3 GLU A 68 5.862 -8.879 -2.861 1.00 42.34 H new ATOM 0 HG2 GLU A 68 7.604 -8.157 -4.526 1.00 12.23 H new ATOM 0 HG3 GLU A 68 8.619 -9.499 -4.037 1.00 12.23 H new ATOM 987 N GLY A 69 8.900 -9.746 -0.296 1.00 70.45 N ATOM 988 CA GLY A 69 10.125 -10.283 0.274 1.00 4.43 C ATOM 989 C GLY A 69 10.524 -9.467 1.462 1.00 21.40 C ATOM 990 O GLY A 69 11.020 -10.006 2.450 1.00 74.43 O ATOM 0 H GLY A 69 8.045 -10.114 0.122 1.00 70.45 H new ATOM 0 HA2 GLY A 69 9.977 -11.322 0.567 1.00 4.43 H new ATOM 0 HA3 GLY A 69 10.920 -10.272 -0.471 1.00 4.43 H new ATOM 994 N ALA A 70 10.357 -8.127 1.386 1.00 73.55 N ATOM 995 CA ALA A 70 10.804 -7.259 2.466 1.00 40.10 C ATOM 996 C ALA A 70 9.890 -7.461 3.646 1.00 61.30 C ATOM 997 O ALA A 70 8.846 -8.082 3.530 1.00 61.04 O ATOM 998 CB ALA A 70 10.817 -5.764 2.103 1.00 35.21 C ATOM 0 H ALA A 70 9.923 -7.644 0.599 1.00 73.55 H new ATOM 0 HA ALA A 70 11.835 -7.534 2.687 1.00 40.10 H new ATOM 0 HB1 ALA A 70 11.162 -5.185 2.960 1.00 35.21 H new ATOM 0 HB2 ALA A 70 11.489 -5.600 1.260 1.00 35.21 H new ATOM 0 HB3 ALA A 70 9.810 -5.447 1.832 1.00 35.21 H new ATOM 1004 N THR A 71 10.300 -6.971 4.825 1.00 3.11 N ATOM 1005 CA THR A 71 9.516 -7.209 6.014 1.00 51.35 C ATOM 1006 C THR A 71 8.518 -6.080 6.150 1.00 23.22 C ATOM 1007 O THR A 71 8.524 -5.112 5.374 1.00 42.54 O ATOM 1008 CB THR A 71 10.338 -7.365 7.292 1.00 53.13 C ATOM 1009 OG1 THR A 71 11.097 -6.198 7.587 1.00 42.22 O ATOM 1010 CG2 THR A 71 11.280 -8.575 7.142 1.00 33.24 C ATOM 0 H THR A 71 11.149 -6.423 4.966 1.00 3.11 H new ATOM 0 HA THR A 71 9.016 -8.170 5.892 1.00 51.35 H new ATOM 0 HB THR A 71 9.647 -7.521 8.120 1.00 53.13 H new ATOM 0 HG1 THR A 71 11.643 -5.958 6.810 1.00 42.22 H new ATOM 0 HG21 THR A 71 11.870 -8.692 8.051 1.00 33.24 H new ATOM 0 HG22 THR A 71 10.691 -9.476 6.973 1.00 33.24 H new ATOM 0 HG23 THR A 71 11.947 -8.414 6.295 1.00 33.24 H new ATOM 1018 N HIS A 72 7.625 -6.208 7.153 1.00 50.44 N ATOM 1019 CA HIS A 72 6.582 -5.240 7.364 1.00 33.22 C ATOM 1020 C HIS A 72 7.204 -3.926 7.743 1.00 55.41 C ATOM 1021 O HIS A 72 6.752 -2.891 7.294 1.00 4.43 O ATOM 1022 CB HIS A 72 5.517 -5.647 8.409 1.00 55.24 C ATOM 1023 CG HIS A 72 6.040 -5.945 9.783 1.00 64.10 C ATOM 1024 ND1 HIS A 72 6.165 -4.990 10.753 1.00 52.42 N ATOM 1025 CD2 HIS A 72 6.408 -7.115 10.328 1.00 44.54 C ATOM 1026 CE1 HIS A 72 6.600 -5.572 11.853 1.00 14.32 C ATOM 1027 NE2 HIS A 72 6.747 -6.864 11.621 1.00 41.33 N ATOM 0 H HIS A 72 7.623 -6.981 7.819 1.00 50.44 H new ATOM 0 HA HIS A 72 6.039 -5.166 6.422 1.00 33.22 H new ATOM 0 HB2 HIS A 72 4.783 -4.845 8.485 1.00 55.24 H new ATOM 0 HB3 HIS A 72 4.990 -6.527 8.041 1.00 55.24 H new ATOM 0 HD2 HIS A 72 6.431 -8.075 9.833 1.00 44.54 H new ATOM 0 HE1 HIS A 72 6.803 -5.074 12.790 1.00 14.32 H new ATOM 0 HE2 HIS A 72 7.062 -7.558 12.299 1.00 41.33 H new ATOM 1036 N LYS A 73 8.291 -3.943 8.568 1.00 62.43 N ATOM 1037 CA LYS A 73 8.946 -2.693 8.938 1.00 14.23 C ATOM 1038 C LYS A 73 9.451 -1.961 7.712 1.00 41.54 C ATOM 1039 O LYS A 73 9.222 -0.767 7.598 1.00 2.30 O ATOM 1040 CB LYS A 73 10.078 -2.797 9.989 1.00 64.01 C ATOM 1041 CG LYS A 73 11.204 -3.771 9.676 1.00 33.53 C ATOM 1042 CD LYS A 73 12.397 -3.656 10.651 1.00 14.54 C ATOM 1043 CE LYS A 73 12.029 -3.815 12.143 1.00 15.24 C ATOM 1044 NZ LYS A 73 11.361 -5.104 12.384 1.00 0.42 N ATOM 0 H LYS A 73 8.706 -4.785 8.967 1.00 62.43 H new ATOM 0 HA LYS A 73 8.156 -2.127 9.431 1.00 14.23 H new ATOM 0 HB2 LYS A 73 10.511 -1.806 10.124 1.00 64.01 H new ATOM 0 HB3 LYS A 73 9.634 -3.083 10.942 1.00 64.01 H new ATOM 0 HG2 LYS A 73 10.815 -4.789 9.707 1.00 33.53 H new ATOM 0 HG3 LYS A 73 11.556 -3.595 8.659 1.00 33.53 H new ATOM 0 HD2 LYS A 73 13.136 -4.414 10.390 1.00 14.54 H new ATOM 0 HD3 LYS A 73 12.872 -2.685 10.509 1.00 14.54 H new ATOM 0 HE2 LYS A 73 12.930 -3.748 12.753 1.00 15.24 H new ATOM 0 HE3 LYS A 73 11.375 -2.999 12.449 1.00 15.24 H new ATOM 0 HZ1 LYS A 73 11.215 -5.234 13.405 1.00 0.42 H new ATOM 0 HZ2 LYS A 73 10.441 -5.115 11.898 1.00 0.42 H new ATOM 0 HZ3 LYS A 73 11.954 -5.876 12.019 1.00 0.42 H new ATOM 1058 N GLN A 74 10.122 -2.655 6.730 1.00 72.32 N ATOM 1059 CA GLN A 74 10.603 -1.953 5.532 1.00 45.20 C ATOM 1060 C GLN A 74 9.417 -1.407 4.799 1.00 54.00 C ATOM 1061 O GLN A 74 9.466 -0.315 4.298 1.00 20.24 O ATOM 1062 CB GLN A 74 11.364 -2.854 4.510 1.00 11.04 C ATOM 1063 CG GLN A 74 12.855 -3.087 4.819 1.00 45.22 C ATOM 1064 CD GLN A 74 12.983 -4.117 5.905 1.00 21.15 C ATOM 1065 OE1 GLN A 74 12.621 -5.279 5.704 1.00 3.34 O ATOM 1066 NE2 GLN A 74 13.504 -3.716 7.077 1.00 61.45 N ATOM 0 H GLN A 74 10.325 -3.654 6.758 1.00 72.32 H new ATOM 0 HA GLN A 74 11.297 -1.194 5.894 1.00 45.20 H new ATOM 0 HB2 GLN A 74 10.865 -3.822 4.462 1.00 11.04 H new ATOM 0 HB3 GLN A 74 11.281 -2.403 3.521 1.00 11.04 H new ATOM 0 HG2 GLN A 74 13.376 -3.421 3.922 1.00 45.22 H new ATOM 0 HG3 GLN A 74 13.324 -2.154 5.131 1.00 45.22 H new ATOM 0 HE21 GLN A 74 13.791 -2.745 7.202 1.00 61.45 H new ATOM 0 HE22 GLN A 74 13.612 -4.382 7.842 1.00 61.45 H new ATOM 1075 N ALA A 75 8.322 -2.177 4.729 1.00 74.14 N ATOM 1076 CA ALA A 75 7.134 -1.770 3.981 1.00 51.34 C ATOM 1077 C ALA A 75 6.616 -0.441 4.518 1.00 12.13 C ATOM 1078 O ALA A 75 6.277 0.458 3.745 1.00 13.44 O ATOM 1079 CB ALA A 75 6.002 -2.810 4.054 1.00 71.32 C ATOM 0 H ALA A 75 8.239 -3.086 5.184 1.00 74.14 H new ATOM 0 HA ALA A 75 7.435 -1.676 2.938 1.00 51.34 H new ATOM 0 HB1 ALA A 75 5.145 -2.456 3.481 1.00 71.32 H new ATOM 0 HB2 ALA A 75 6.350 -3.756 3.639 1.00 71.32 H new ATOM 0 HB3 ALA A 75 5.708 -2.956 5.094 1.00 71.32 H new ATOM 1085 N VAL A 76 6.583 -0.284 5.863 1.00 72.22 N ATOM 1086 CA VAL A 76 6.103 0.957 6.465 1.00 60.32 C ATOM 1087 C VAL A 76 7.127 2.031 6.155 1.00 70.53 C ATOM 1088 O VAL A 76 6.792 3.095 5.618 1.00 25.05 O ATOM 1089 CB VAL A 76 5.933 0.862 7.991 1.00 3.44 C ATOM 1090 CG1 VAL A 76 5.494 2.240 8.557 1.00 71.34 C ATOM 1091 CG2 VAL A 76 4.911 -0.252 8.300 1.00 22.44 C ATOM 0 H VAL A 76 6.880 -0.995 6.531 1.00 72.22 H new ATOM 0 HA VAL A 76 5.119 1.180 6.052 1.00 60.32 H new ATOM 0 HB VAL A 76 6.876 0.605 8.474 1.00 3.44 H new ATOM 0 HG11 VAL A 76 5.375 2.168 9.638 1.00 71.34 H new ATOM 0 HG12 VAL A 76 6.253 2.987 8.325 1.00 71.34 H new ATOM 0 HG13 VAL A 76 4.546 2.533 8.106 1.00 71.34 H new ATOM 0 HG21 VAL A 76 4.777 -0.334 9.379 1.00 22.44 H new ATOM 0 HG22 VAL A 76 3.956 -0.009 7.833 1.00 22.44 H new ATOM 0 HG23 VAL A 76 5.277 -1.200 7.906 1.00 22.44 H new ATOM 1101 N CYS A 77 8.405 1.756 6.523 1.00 31.14 N ATOM 1102 CA CYS A 77 9.492 2.786 6.389 1.00 44.33 C ATOM 1103 C CYS A 77 9.579 3.241 4.927 1.00 4.41 C ATOM 1104 O CYS A 77 10.187 4.231 4.614 1.00 11.13 O ATOM 1105 CB CYS A 77 10.860 2.290 6.875 1.00 71.31 C ATOM 1106 SG CYS A 77 10.815 1.886 8.658 1.00 15.40 S ATOM 0 H CYS A 77 8.712 0.861 6.904 1.00 31.14 H new ATOM 0 HA CYS A 77 9.227 3.624 7.034 1.00 44.33 H new ATOM 0 HB2 CYS A 77 11.154 1.408 6.306 1.00 71.31 H new ATOM 0 HB3 CYS A 77 11.615 3.055 6.691 1.00 71.31 H new ATOM 1111 N THR A 78 9.168 2.369 3.988 1.00 63.30 N ATOM 1112 CA THR A 78 9.247 2.699 2.577 1.00 72.42 C ATOM 1113 C THR A 78 8.291 3.839 2.340 1.00 32.33 C ATOM 1114 O THR A 78 8.697 4.889 1.903 1.00 55.34 O ATOM 1115 CB THR A 78 8.907 1.552 1.642 1.00 30.44 C ATOM 1116 OG1 THR A 78 9.828 0.484 1.850 1.00 23.25 O ATOM 1117 CG2 THR A 78 9.031 2.047 0.175 1.00 25.25 C ATOM 0 H THR A 78 8.785 1.446 4.190 1.00 63.30 H new ATOM 0 HA THR A 78 10.282 2.955 2.351 1.00 72.42 H new ATOM 0 HB THR A 78 7.892 1.205 1.837 1.00 30.44 H new ATOM 0 HG1 THR A 78 9.590 0.001 2.669 1.00 23.25 H new ATOM 0 HG21 THR A 78 8.789 1.231 -0.506 1.00 25.25 H new ATOM 0 HG22 THR A 78 8.340 2.874 0.010 1.00 25.25 H new ATOM 0 HG23 THR A 78 10.051 2.384 -0.010 1.00 25.25 H new ATOM 1125 N LEU A 79 6.990 3.653 2.699 1.00 25.02 N ATOM 1126 CA LEU A 79 5.971 4.700 2.509 1.00 74.50 C ATOM 1127 C LEU A 79 6.447 5.954 3.210 1.00 55.41 C ATOM 1128 O LEU A 79 6.588 6.998 2.602 1.00 50.24 O ATOM 1129 CB LEU A 79 4.585 4.308 3.087 1.00 52.31 C ATOM 1130 CG LEU A 79 4.016 2.992 2.496 1.00 0.51 C ATOM 1131 CD1 LEU A 79 2.687 2.582 3.157 1.00 44.01 C ATOM 1132 CD2 LEU A 79 3.922 3.005 0.954 1.00 32.11 C ATOM 0 H LEU A 79 6.634 2.793 3.117 1.00 25.02 H new ATOM 0 HA LEU A 79 5.845 4.850 1.437 1.00 74.50 H new ATOM 0 HB2 LEU A 79 4.668 4.205 4.169 1.00 52.31 H new ATOM 0 HB3 LEU A 79 3.879 5.117 2.897 1.00 52.31 H new ATOM 0 HG LEU A 79 4.745 2.219 2.742 1.00 0.51 H new ATOM 0 HD11 LEU A 79 2.329 1.655 2.709 1.00 44.01 H new ATOM 0 HD12 LEU A 79 2.843 2.433 4.225 1.00 44.01 H new ATOM 0 HD13 LEU A 79 1.947 3.368 3.005 1.00 44.01 H new ATOM 0 HD21 LEU A 79 3.516 2.055 0.606 1.00 32.11 H new ATOM 0 HD22 LEU A 79 3.268 3.817 0.636 1.00 32.11 H new ATOM 0 HD23 LEU A 79 4.915 3.152 0.530 1.00 32.11 H new ATOM 1144 N ARG A 80 6.747 5.810 4.503 1.00 12.32 N ATOM 1145 CA ARG A 80 7.310 6.876 5.346 1.00 21.43 C ATOM 1146 C ARG A 80 8.472 7.624 4.638 1.00 4.32 C ATOM 1147 O ARG A 80 8.626 8.829 4.820 1.00 64.12 O ATOM 1148 CB ARG A 80 7.867 6.270 6.671 1.00 1.34 C ATOM 1149 CG ARG A 80 8.044 7.253 7.837 1.00 55.14 C ATOM 1150 CD ARG A 80 6.711 7.794 8.401 1.00 54.25 C ATOM 1151 NE ARG A 80 7.018 8.499 9.698 1.00 62.23 N ATOM 1152 CZ ARG A 80 6.639 7.992 10.943 1.00 24.00 C ATOM 1153 NH1 ARG A 80 5.927 6.828 11.046 1.00 4.32 N ATOM 1154 NH2 ARG A 80 6.978 8.665 12.072 1.00 70.21 N ATOM 0 H ARG A 80 6.604 4.934 5.006 1.00 12.32 H new ATOM 0 HA ARG A 80 6.503 7.581 5.546 1.00 21.43 H new ATOM 0 HB2 ARG A 80 7.197 5.472 6.992 1.00 1.34 H new ATOM 0 HB3 ARG A 80 8.832 5.810 6.460 1.00 1.34 H new ATOM 0 HG2 ARG A 80 8.593 6.758 8.638 1.00 55.14 H new ATOM 0 HG3 ARG A 80 8.655 8.092 7.504 1.00 55.14 H new ATOM 0 HD2 ARG A 80 6.246 8.480 7.693 1.00 54.25 H new ATOM 0 HD3 ARG A 80 6.006 6.979 8.566 1.00 54.25 H new ATOM 0 HE ARG A 80 7.524 9.384 9.665 1.00 62.23 H new ATOM 0 HH11 ARG A 80 5.664 6.315 10.205 1.00 4.32 H new ATOM 0 HH12 ARG A 80 5.659 6.473 11.964 1.00 4.32 H new ATOM 0 HH21 ARG A 80 7.506 9.535 12.008 1.00 70.21 H new ATOM 0 HH22 ARG A 80 6.704 8.301 12.985 1.00 70.21 H new ATOM 1168 N ASN A 81 9.291 6.925 3.826 1.00 52.31 N ATOM 1169 CA ASN A 81 10.478 7.546 3.207 1.00 64.11 C ATOM 1170 C ASN A 81 10.137 8.007 1.781 1.00 71.14 C ATOM 1171 O ASN A 81 10.975 8.597 1.108 1.00 14.11 O ATOM 1172 CB ASN A 81 11.673 6.541 3.114 1.00 72.33 C ATOM 1173 CG ASN A 81 12.959 7.264 2.668 1.00 2.42 C ATOM 1174 OD1 ASN A 81 13.211 8.422 3.049 1.00 43.11 O ATOM 1175 ND2 ASN A 81 13.796 6.574 1.865 1.00 63.12 N ATOM 0 H ASN A 81 9.155 5.943 3.586 1.00 52.31 H new ATOM 0 HA ASN A 81 10.768 8.389 3.834 1.00 64.11 H new ATOM 0 HB2 ASN A 81 11.833 6.068 4.083 1.00 72.33 H new ATOM 0 HB3 ASN A 81 11.433 5.747 2.407 1.00 72.33 H new ATOM 0 HD21 ASN A 81 14.668 7.000 1.551 1.00 63.12 H new ATOM 0 HD22 ASN A 81 13.557 5.627 1.573 1.00 63.12 H new ATOM 1182 N THR A 82 8.908 7.748 1.282 1.00 5.53 N ATOM 1183 CA THR A 82 8.595 8.119 -0.101 1.00 32.04 C ATOM 1184 C THR A 82 8.169 9.582 -0.128 1.00 5.12 C ATOM 1185 O THR A 82 8.009 10.225 0.916 1.00 60.43 O ATOM 1186 CB THR A 82 7.544 7.253 -0.804 1.00 31.12 C ATOM 1187 OG1 THR A 82 6.345 7.107 -0.025 1.00 73.43 O ATOM 1188 CG2 THR A 82 8.139 5.877 -1.160 1.00 1.44 C ATOM 0 H THR A 82 8.149 7.302 1.797 1.00 5.53 H new ATOM 0 HA THR A 82 9.509 7.947 -0.669 1.00 32.04 H new ATOM 0 HB THR A 82 7.260 7.766 -1.723 1.00 31.12 H new ATOM 0 HG1 THR A 82 6.565 6.705 0.841 1.00 73.43 H new ATOM 0 HG21 THR A 82 7.382 5.271 -1.659 1.00 1.44 H new ATOM 0 HG22 THR A 82 8.993 6.011 -1.824 1.00 1.44 H new ATOM 0 HG23 THR A 82 8.463 5.374 -0.249 1.00 1.44 H new ATOM 1196 N GLY A 83 8.047 10.129 -1.352 1.00 41.21 N ATOM 1197 CA GLY A 83 7.837 11.536 -1.530 1.00 5.45 C ATOM 1198 C GLY A 83 6.385 11.828 -1.759 1.00 23.42 C ATOM 1199 O GLY A 83 5.471 11.153 -1.231 1.00 20.15 O ATOM 0 H GLY A 83 8.094 9.597 -2.221 1.00 41.21 H new ATOM 0 HA2 GLY A 83 8.188 12.076 -0.650 1.00 5.45 H new ATOM 0 HA3 GLY A 83 8.423 11.892 -2.377 1.00 5.45 H new ATOM 1203 N GLN A 84 6.151 12.904 -2.543 1.00 54.33 N ATOM 1204 CA GLN A 84 4.871 13.521 -2.674 1.00 35.52 C ATOM 1205 C GLN A 84 4.054 12.683 -3.585 1.00 45.55 C ATOM 1206 O GLN A 84 2.961 12.263 -3.228 1.00 2.35 O ATOM 1207 CB GLN A 84 4.997 14.932 -3.291 1.00 30.52 C ATOM 1208 CG GLN A 84 3.679 15.705 -3.427 1.00 22.01 C ATOM 1209 CD GLN A 84 4.008 17.043 -4.077 1.00 42.21 C ATOM 1210 OE1 GLN A 84 5.172 17.335 -4.362 1.00 40.01 O ATOM 1211 NE2 GLN A 84 2.989 17.864 -4.319 1.00 73.54 N ATOM 0 H GLN A 84 6.878 13.353 -3.100 1.00 54.33 H new ATOM 0 HA GLN A 84 4.414 13.611 -1.689 1.00 35.52 H new ATOM 0 HB2 GLN A 84 5.682 15.519 -2.679 1.00 30.52 H new ATOM 0 HB3 GLN A 84 5.450 14.840 -4.278 1.00 30.52 H new ATOM 0 HG2 GLN A 84 2.966 15.147 -4.034 1.00 22.01 H new ATOM 0 HG3 GLN A 84 3.218 15.854 -2.451 1.00 22.01 H new ATOM 0 HE21 GLN A 84 2.040 17.587 -4.069 1.00 73.54 H new ATOM 0 HE22 GLN A 84 3.157 18.771 -4.755 1.00 73.54 H new ATOM 1220 N VAL A 85 4.584 12.385 -4.780 1.00 11.33 N ATOM 1221 CA VAL A 85 3.872 11.559 -5.701 1.00 61.53 C ATOM 1222 C VAL A 85 4.653 10.304 -5.717 1.00 30.23 C ATOM 1223 O VAL A 85 5.878 10.335 -5.840 1.00 42.40 O ATOM 1224 CB VAL A 85 3.774 12.110 -7.121 1.00 3.55 C ATOM 1225 CG1 VAL A 85 2.904 11.142 -7.980 1.00 71.43 C ATOM 1226 CG2 VAL A 85 3.184 13.540 -7.041 1.00 4.42 C ATOM 0 H VAL A 85 5.494 12.710 -5.107 1.00 11.33 H new ATOM 0 HA VAL A 85 2.834 11.461 -5.382 1.00 61.53 H new ATOM 0 HB VAL A 85 4.750 12.175 -7.602 1.00 3.55 H new ATOM 0 HG11 VAL A 85 2.828 11.527 -8.997 1.00 71.43 H new ATOM 0 HG12 VAL A 85 3.368 10.156 -7.999 1.00 71.43 H new ATOM 0 HG13 VAL A 85 1.907 11.066 -7.545 1.00 71.43 H new ATOM 0 HG21 VAL A 85 3.104 13.957 -8.045 1.00 4.42 H new ATOM 0 HG22 VAL A 85 2.195 13.501 -6.584 1.00 4.42 H new ATOM 0 HG23 VAL A 85 3.838 14.170 -6.438 1.00 4.42 H new ATOM 1236 N VAL A 86 3.982 9.177 -5.503 1.00 13.34 N ATOM 1237 CA VAL A 86 4.656 7.932 -5.418 1.00 74.34 C ATOM 1238 C VAL A 86 3.857 7.040 -6.279 1.00 12.53 C ATOM 1239 O VAL A 86 2.640 7.172 -6.334 1.00 23.35 O ATOM 1240 CB VAL A 86 4.667 7.384 -3.999 1.00 3.13 C ATOM 1241 CG1 VAL A 86 5.507 6.083 -3.942 1.00 2.11 C ATOM 1242 CG2 VAL A 86 5.225 8.498 -3.086 1.00 64.33 C ATOM 0 H VAL A 86 2.970 9.123 -5.388 1.00 13.34 H new ATOM 0 HA VAL A 86 5.700 8.022 -5.717 1.00 74.34 H new ATOM 0 HB VAL A 86 3.667 7.114 -3.659 1.00 3.13 H new ATOM 0 HG11 VAL A 86 5.510 5.696 -2.923 1.00 2.11 H new ATOM 0 HG12 VAL A 86 5.073 5.340 -4.611 1.00 2.11 H new ATOM 0 HG13 VAL A 86 6.530 6.296 -4.252 1.00 2.11 H new ATOM 0 HG21 VAL A 86 5.250 8.145 -2.055 1.00 64.33 H new ATOM 0 HG22 VAL A 86 6.234 8.758 -3.405 1.00 64.33 H new ATOM 0 HG23 VAL A 86 4.585 9.378 -3.153 1.00 64.33 H new ATOM 1252 N HIS A 87 4.523 6.141 -6.993 1.00 52.44 N ATOM 1253 CA HIS A 87 3.848 5.284 -7.923 1.00 30.12 C ATOM 1254 C HIS A 87 3.634 4.014 -7.174 1.00 11.22 C ATOM 1255 O HIS A 87 4.588 3.395 -6.749 1.00 20.01 O ATOM 1256 CB HIS A 87 4.711 4.987 -9.173 1.00 50.14 C ATOM 1257 CG HIS A 87 3.944 4.491 -10.369 1.00 12.53 C ATOM 1258 ND1 HIS A 87 3.292 5.342 -11.223 1.00 12.23 N ATOM 1259 CD2 HIS A 87 3.791 3.242 -10.858 1.00 34.15 C ATOM 1260 CE1 HIS A 87 2.755 4.620 -12.199 1.00 12.42 C ATOM 1261 NE2 HIS A 87 3.052 3.346 -12.000 1.00 73.04 N ATOM 0 H HIS A 87 5.531 5.997 -6.936 1.00 52.44 H new ATOM 0 HA HIS A 87 2.929 5.748 -8.280 1.00 30.12 H new ATOM 0 HB2 HIS A 87 5.244 5.896 -9.453 1.00 50.14 H new ATOM 0 HB3 HIS A 87 5.464 4.244 -8.909 1.00 50.14 H new ATOM 0 HD1 HIS A 87 3.230 6.355 -11.125 1.00 12.23 H new ATOM 0 HD2 HIS A 87 4.180 2.332 -10.426 1.00 34.15 H new ATOM 0 HE1 HIS A 87 2.172 5.009 -13.021 1.00 12.42 H new ATOM 1270 N LEU A 88 2.386 3.642 -6.931 1.00 60.45 N ATOM 1271 CA LEU A 88 2.103 2.463 -6.146 1.00 45.03 C ATOM 1272 C LEU A 88 1.449 1.512 -7.073 1.00 1.01 C ATOM 1273 O LEU A 88 0.647 1.913 -7.917 1.00 61.24 O ATOM 1274 CB LEU A 88 1.165 2.726 -4.934 1.00 61.33 C ATOM 1275 CG LEU A 88 1.768 3.728 -3.910 1.00 40.34 C ATOM 1276 CD1 LEU A 88 0.749 4.179 -2.855 1.00 42.20 C ATOM 1277 CD2 LEU A 88 3.080 3.219 -3.275 1.00 62.30 C ATOM 0 H LEU A 88 1.562 4.140 -7.266 1.00 60.45 H new ATOM 0 HA LEU A 88 3.033 2.087 -5.719 1.00 45.03 H new ATOM 0 HB2 LEU A 88 0.212 3.113 -5.295 1.00 61.33 H new ATOM 0 HB3 LEU A 88 0.956 1.782 -4.431 1.00 61.33 H new ATOM 0 HG LEU A 88 2.032 4.616 -4.484 1.00 40.34 H new ATOM 0 HD11 LEU A 88 1.224 4.878 -2.166 1.00 42.20 H new ATOM 0 HD12 LEU A 88 -0.091 4.669 -3.347 1.00 42.20 H new ATOM 0 HD13 LEU A 88 0.390 3.311 -2.302 1.00 42.20 H new ATOM 0 HD21 LEU A 88 3.454 3.960 -2.569 1.00 62.30 H new ATOM 0 HD22 LEU A 88 2.891 2.282 -2.751 1.00 62.30 H new ATOM 0 HD23 LEU A 88 3.822 3.055 -4.056 1.00 62.30 H new ATOM 1289 N LEU A 89 1.828 0.237 -6.985 1.00 2.45 N ATOM 1290 CA LEU A 89 1.291 -0.759 -7.864 1.00 41.22 C ATOM 1291 C LEU A 89 0.495 -1.670 -6.996 1.00 40.11 C ATOM 1292 O LEU A 89 1.004 -2.141 -5.959 1.00 24.14 O ATOM 1293 CB LEU A 89 2.407 -1.579 -8.556 1.00 40.34 C ATOM 1294 CG LEU A 89 1.936 -2.485 -9.707 1.00 23.21 C ATOM 1295 CD1 LEU A 89 1.195 -1.712 -10.793 1.00 44.24 C ATOM 1296 CD2 LEU A 89 3.096 -3.273 -10.305 1.00 24.04 C ATOM 0 H LEU A 89 2.506 -0.114 -6.308 1.00 2.45 H new ATOM 0 HA LEU A 89 0.701 -0.290 -8.652 1.00 41.22 H new ATOM 0 HB2 LEU A 89 3.157 -0.889 -8.942 1.00 40.34 H new ATOM 0 HB3 LEU A 89 2.899 -2.198 -7.806 1.00 40.34 H new ATOM 0 HG LEU A 89 1.228 -3.190 -9.273 1.00 23.21 H new ATOM 0 HD11 LEU A 89 0.885 -2.398 -11.581 1.00 44.24 H new ATOM 0 HD12 LEU A 89 0.316 -1.232 -10.363 1.00 44.24 H new ATOM 0 HD13 LEU A 89 1.854 -0.952 -11.213 1.00 44.24 H new ATOM 0 HD21 LEU A 89 2.729 -3.903 -11.115 1.00 24.04 H new ATOM 0 HD22 LEU A 89 3.844 -2.581 -10.693 1.00 24.04 H new ATOM 0 HD23 LEU A 89 3.546 -3.899 -9.535 1.00 24.04 H new ATOM 1308 N LEU A 90 -0.778 -1.913 -7.368 1.00 14.14 N ATOM 1309 CA LEU A 90 -1.643 -2.720 -6.549 1.00 44.52 C ATOM 1310 C LEU A 90 -2.341 -3.665 -7.480 1.00 32.52 C ATOM 1311 O LEU A 90 -2.425 -3.416 -8.681 1.00 73.23 O ATOM 1312 CB LEU A 90 -2.715 -1.922 -5.758 1.00 2.22 C ATOM 1313 CG LEU A 90 -2.117 -0.863 -4.788 1.00 11.25 C ATOM 1314 CD1 LEU A 90 -1.878 0.510 -5.455 1.00 74.52 C ATOM 1315 CD2 LEU A 90 -2.923 -0.738 -3.492 1.00 45.54 C ATOM 0 H LEU A 90 -1.206 -1.558 -8.223 1.00 14.14 H new ATOM 0 HA LEU A 90 -1.029 -3.212 -5.795 1.00 44.52 H new ATOM 0 HB2 LEU A 90 -3.377 -1.422 -6.464 1.00 2.22 H new ATOM 0 HB3 LEU A 90 -3.327 -2.620 -5.187 1.00 2.22 H new ATOM 0 HG LEU A 90 -1.131 -1.240 -4.516 1.00 11.25 H new ATOM 0 HD11 LEU A 90 -1.460 1.202 -4.724 1.00 74.52 H new ATOM 0 HD12 LEU A 90 -1.181 0.395 -6.285 1.00 74.52 H new ATOM 0 HD13 LEU A 90 -2.824 0.903 -5.827 1.00 74.52 H new ATOM 0 HD21 LEU A 90 -2.464 0.014 -2.849 1.00 45.54 H new ATOM 0 HD22 LEU A 90 -3.945 -0.440 -3.726 1.00 45.54 H new ATOM 0 HD23 LEU A 90 -2.934 -1.698 -2.976 1.00 45.54 H new ATOM 1327 N GLU A 91 -2.803 -4.813 -6.953 1.00 32.14 N ATOM 1328 CA GLU A 91 -3.463 -5.796 -7.774 1.00 51.21 C ATOM 1329 C GLU A 91 -4.736 -6.114 -7.072 1.00 52.03 C ATOM 1330 O GLU A 91 -4.771 -6.215 -5.844 1.00 3.45 O ATOM 1331 CB GLU A 91 -2.640 -7.106 -7.941 1.00 23.24 C ATOM 1332 CG GLU A 91 -3.282 -8.167 -8.864 1.00 1.15 C ATOM 1333 CD GLU A 91 -2.375 -9.384 -8.865 1.00 3.21 C ATOM 1334 OE1 GLU A 91 -1.208 -9.274 -9.315 1.00 72.11 O ATOM 1335 OE2 GLU A 91 -2.801 -10.448 -8.367 1.00 13.44 O ATOM 0 H GLU A 91 -2.724 -5.065 -5.968 1.00 32.14 H new ATOM 0 HA GLU A 91 -3.604 -5.395 -8.778 1.00 51.21 H new ATOM 0 HB2 GLU A 91 -1.656 -6.851 -8.334 1.00 23.24 H new ATOM 0 HB3 GLU A 91 -2.485 -7.548 -6.957 1.00 23.24 H new ATOM 0 HG2 GLU A 91 -4.278 -8.432 -8.508 1.00 1.15 H new ATOM 0 HG3 GLU A 91 -3.398 -7.775 -9.875 1.00 1.15 H new ATOM 1342 N LYS A 92 -5.839 -6.228 -7.840 1.00 32.32 N ATOM 1343 CA LYS A 92 -7.140 -6.454 -7.263 1.00 40.01 C ATOM 1344 C LYS A 92 -7.209 -7.800 -6.618 1.00 53.23 C ATOM 1345 O LYS A 92 -6.538 -8.747 -7.005 1.00 23.05 O ATOM 1346 CB LYS A 92 -8.300 -6.348 -8.267 1.00 13.54 C ATOM 1347 CG LYS A 92 -8.591 -4.932 -8.722 1.00 32.04 C ATOM 1348 CD LYS A 92 -9.118 -4.059 -7.594 1.00 42.40 C ATOM 1349 CE LYS A 92 -9.548 -2.675 -8.045 1.00 25.32 C ATOM 1350 NZ LYS A 92 -10.136 -1.917 -6.926 1.00 5.20 N ATOM 0 H LYS A 92 -5.834 -6.164 -8.858 1.00 32.32 H new ATOM 0 HA LYS A 92 -7.261 -5.657 -6.529 1.00 40.01 H new ATOM 0 HB2 LYS A 92 -8.069 -6.959 -9.139 1.00 13.54 H new ATOM 0 HB3 LYS A 92 -9.199 -6.766 -7.814 1.00 13.54 H new ATOM 0 HG2 LYS A 92 -7.681 -4.489 -9.126 1.00 32.04 H new ATOM 0 HG3 LYS A 92 -9.321 -4.956 -9.531 1.00 32.04 H new ATOM 0 HD2 LYS A 92 -9.966 -4.559 -7.125 1.00 42.40 H new ATOM 0 HD3 LYS A 92 -8.345 -3.960 -6.832 1.00 42.40 H new ATOM 0 HE2 LYS A 92 -8.689 -2.135 -8.444 1.00 25.32 H new ATOM 0 HE3 LYS A 92 -10.274 -2.761 -8.853 1.00 25.32 H new ATOM 0 HZ1 LYS A 92 -10.423 -0.974 -7.258 1.00 5.20 H new ATOM 0 HZ2 LYS A 92 -10.968 -2.424 -6.563 1.00 5.20 H new ATOM 0 HZ3 LYS A 92 -9.433 -1.818 -6.166 1.00 5.20 H new ATOM 1364 N GLY A 93 -8.039 -7.859 -5.598 1.00 34.51 N ATOM 1365 CA GLY A 93 -8.228 -9.047 -4.812 1.00 40.43 C ATOM 1366 C GLY A 93 -7.862 -8.653 -3.433 1.00 2.23 C ATOM 1367 O GLY A 93 -7.108 -9.336 -2.748 1.00 71.40 O ATOM 0 H GLY A 93 -8.607 -7.069 -5.292 1.00 34.51 H new ATOM 0 HA2 GLY A 93 -9.260 -9.395 -4.863 1.00 40.43 H new ATOM 0 HA3 GLY A 93 -7.599 -9.862 -5.170 1.00 40.43 H new ATOM 1371 N GLN A 94 -8.365 -7.486 -3.024 1.00 52.14 N ATOM 1372 CA GLN A 94 -8.053 -6.928 -1.742 1.00 73.30 C ATOM 1373 C GLN A 94 -9.231 -7.149 -0.871 1.00 52.44 C ATOM 1374 O GLN A 94 -10.312 -7.547 -1.345 1.00 60.31 O ATOM 1375 CB GLN A 94 -7.762 -5.404 -1.767 1.00 43.40 C ATOM 1376 CG GLN A 94 -8.753 -4.552 -2.585 1.00 21.40 C ATOM 1377 CD GLN A 94 -8.428 -4.728 -4.052 1.00 32.02 C ATOM 1378 OE1 GLN A 94 -9.173 -5.382 -4.788 1.00 64.14 O ATOM 1379 NE2 GLN A 94 -7.289 -4.167 -4.494 1.00 45.45 N ATOM 0 H GLN A 94 -8.998 -6.915 -3.585 1.00 52.14 H new ATOM 0 HA GLN A 94 -7.145 -7.416 -1.387 1.00 73.30 H new ATOM 0 HB2 GLN A 94 -7.755 -5.036 -0.741 1.00 43.40 H new ATOM 0 HB3 GLN A 94 -6.760 -5.250 -2.168 1.00 43.40 H new ATOM 0 HG2 GLN A 94 -9.778 -4.862 -2.383 1.00 21.40 H new ATOM 0 HG3 GLN A 94 -8.676 -3.502 -2.302 1.00 21.40 H new ATOM 0 HE21 GLN A 94 -6.701 -3.634 -3.853 1.00 45.45 H new ATOM 0 HE22 GLN A 94 -7.013 -4.274 -5.470 1.00 45.45 H new ATOM 1388 N SER A 95 -9.047 -6.904 0.443 1.00 15.44 N ATOM 1389 CA SER A 95 -10.085 -7.053 1.422 1.00 24.43 C ATOM 1390 C SER A 95 -11.111 -5.966 1.175 1.00 34.12 C ATOM 1391 O SER A 95 -10.827 -4.965 0.495 1.00 34.40 O ATOM 1392 CB SER A 95 -9.504 -6.820 2.843 1.00 40.02 C ATOM 1393 OG SER A 95 -8.272 -7.530 2.988 1.00 4.23 O ATOM 0 H SER A 95 -8.157 -6.595 0.834 1.00 15.44 H new ATOM 0 HA SER A 95 -10.517 -8.051 1.350 1.00 24.43 H new ATOM 0 HB2 SER A 95 -9.342 -5.755 3.009 1.00 40.02 H new ATOM 0 HB3 SER A 95 -10.217 -7.155 3.596 1.00 40.02 H new ATOM 0 HG SER A 95 -7.910 -7.377 3.886 1.00 4.23 H new ATOM 1399 N PRO A 96 -12.316 -6.144 1.743 1.00 22.40 N ATOM 1400 CA PRO A 96 -13.366 -5.144 1.674 1.00 4.21 C ATOM 1401 C PRO A 96 -12.922 -3.905 2.408 1.00 24.23 C ATOM 1402 O PRO A 96 -11.864 -3.920 3.086 1.00 3.12 O ATOM 1403 CB PRO A 96 -14.577 -5.800 2.362 1.00 21.11 C ATOM 1404 CG PRO A 96 -13.969 -6.892 3.262 1.00 53.04 C ATOM 1405 CD PRO A 96 -12.734 -7.345 2.481 1.00 2.01 C ATOM 0 HA PRO A 96 -13.606 -4.840 0.655 1.00 4.21 H new ATOM 0 HB2 PRO A 96 -15.142 -5.074 2.947 1.00 21.11 H new ATOM 0 HB3 PRO A 96 -15.265 -6.226 1.632 1.00 21.11 H new ATOM 0 HG2 PRO A 96 -13.703 -6.502 4.244 1.00 53.04 H new ATOM 0 HG3 PRO A 96 -14.666 -7.714 3.424 1.00 53.04 H new ATOM 0 HD2 PRO A 96 -11.947 -7.697 3.148 1.00 2.01 H new ATOM 0 HD3 PRO A 96 -12.969 -8.167 1.805 1.00 2.01 H new ATOM 1413 N THR A 97 -13.706 -2.848 2.285 1.00 35.21 N ATOM 1414 CA THR A 97 -13.361 -1.576 2.797 1.00 22.22 C ATOM 1415 C THR A 97 -14.048 -1.502 4.190 1.00 1.30 C ATOM 1416 O THR A 97 -13.722 -0.606 4.991 1.00 41.31 O ATOM 1417 CB THR A 97 -13.910 -0.477 1.890 1.00 75.41 C ATOM 1418 OG1 THR A 97 -13.579 -0.781 0.522 1.00 42.11 O ATOM 1419 CG2 THR A 97 -13.302 0.883 2.280 1.00 54.40 C ATOM 0 H THR A 97 -14.611 -2.872 1.815 1.00 35.21 H new ATOM 0 HA THR A 97 -12.281 -1.439 2.859 1.00 22.22 H new ATOM 0 HB THR A 97 -14.993 -0.425 2.003 1.00 75.41 H new ATOM 0 HG1 THR A 97 -13.931 -0.079 -0.064 1.00 42.11 H new ATOM 0 HG21 THR A 97 -13.700 1.660 1.627 1.00 54.40 H new ATOM 0 HG22 THR A 97 -13.557 1.112 3.315 1.00 54.40 H new ATOM 0 HG23 THR A 97 -12.218 0.841 2.175 1.00 54.40 H new TER 1427 THR A 97 HETATM 1428 C1 33B A 101 -0.279 1.942 11.593 1.00 72.50 C HETATM 1429 C2 33B A 101 0.979 1.508 12.344 1.00 32.24 C HETATM 1430 O2 33B A 101 1.184 0.310 12.592 1.00 3.12 O HETATM 1431 N3 33B A 101 1.835 2.527 12.697 1.00 74.42 N HETATM 1432 C4 33B A 101 2.974 2.449 13.717 1.00 75.03 C HETATM 1433 C5 33B A 101 3.226 1.261 14.462 1.00 31.41 C HETATM 1434 C6 33B A 101 3.798 3.631 14.007 1.00 4.40 C HETATM 1435 S6 33B A 101 3.586 5.210 13.145 1.00 23.25 S HETATM 1436 C7 33B A 101 4.203 1.234 15.456 1.00 40.25 C HETATM 1437 C8 33B A 101 4.769 3.543 15.034 1.00 71.54 C HETATM 1438 C9 33B A 101 4.970 2.358 15.755 1.00 12.11 C HETATM 1439 N10 33B A 101 5.984 2.301 16.874 1.00 52.42 N HETATM 1440 N11 33B A 101 7.238 2.310 16.693 1.00 4.43 N HETATM 1441 C12 33B A 101 7.872 2.370 15.334 1.00 74.43 C HETATM 1442 C13 33B A 101 8.271 3.593 14.801 1.00 25.41 C HETATM 1443 C14 33B A 101 8.038 1.202 14.591 1.00 50.23 C HETATM 1444 C15 33B A 101 8.836 3.679 13.532 1.00 23.02 C HETATM 1445 C16 33B A 101 8.609 1.213 13.302 1.00 50.32 C HETATM 1446 C17 33B A 101 9.035 2.509 12.730 1.00 3.33 C HETATM 1447 S17 33B A 101 8.749 -0.357 12.433 1.00 4.32 S HETATM 1448 N18 33B A 101 9.681 2.595 11.321 1.00 21.03 N HETATM 1449 C19 33B A 101 10.135 3.754 10.694 1.00 43.54 C HETATM 1450 O19 33B A 101 10.095 4.851 11.227 1.00 64.35 O HETATM 1451 C20 33B A 101 10.715 3.638 9.248 1.00 4.32 C HETATM 1452 O61 33B A 101 3.352 4.823 11.786 1.00 32.21 O HETATM 1453 O62 33B A 101 2.439 5.783 13.838 1.00 1.23 O HETATM 1454 O63 33B A 101 4.846 5.896 13.362 1.00 62.53 O HETATM 1455 O71 33B A 101 9.839 -0.155 11.530 1.00 4.31 O HETATM 1456 O72 33B A 101 9.030 -1.312 13.501 1.00 60.24 O HETATM 1457 O73 33B A 101 7.458 -0.514 11.820 1.00 2.33 O HETATM 0 HO72 33B A 101 9.123 -2.210 13.120 1.00 60.24 H new HETATM 0 HO62 33B A 101 2.227 6.658 13.451 1.00 1.23 H new HETATM 0 HN18 33B A 101 9.783 1.721 10.805 1.00 21.03 H new HETATM 0 HN3 33B A 101 1.696 3.424 12.232 1.00 74.42 H new HETATM 0 H8 33B A 101 5.375 4.418 15.270 1.00 71.54 H new HETATM 0 H7 33B A 101 4.371 0.312 16.012 1.00 40.25 H new HETATM 0 H5 33B A 101 2.647 0.361 14.252 1.00 31.41 H new HETATM 0 H15 33B A 101 9.132 4.653 13.142 1.00 23.02 H new HETATM 0 H14 33B A 101 7.717 0.252 15.019 1.00 50.23 H new HETATM 0 H13 33B A 101 8.138 4.501 15.389 1.00 25.41 H new