USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 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 72 HIS : no HE2:sc= 0.942 K(o=1.9,f=-8!) USER MOD Set 1.2: A 101 33B O62 : rot 50:sc= 0.947 USER MOD Set 2.1: A 14 LYS NZ :NH3+ 179:sc= 1.17 (180deg=0.989) USER MOD Set 2.2: A 82 THR OG1 : rot -67:sc= 0.789 USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.131 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 171:sc= -0.0221 (180deg=-0.182) USER MOD Single : A 15 ASN : amide:sc= -0.0412 K(o=-0.041,f=-2!) USER MOD Single : A 17 ASN : amide:sc= -0.0669 K(o=-0.067,f=-0.7) 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= -0.731 K(o=-0.73,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.21 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0365 USER MOD Single : A 33 HIS : no HD1:sc=-0.000591 X(o=-0.00059,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0.271 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 70:sc= 0.356 USER MOD Single : A 54 HIS : no HE2:sc= 0.327 K(o=0.33,f=-5!) USER MOD Single : A 55 LYS NZ :NH3+ 160:sc= 0.4 (180deg=0.289) USER MOD Single : A 63 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.33) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0647 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 78 THR OG1 : rot 87:sc= 1.21 USER MOD Single : A 81 ASN : amide:sc= -0.0387 K(o=-0.039,f=-1.7!) USER MOD Single : A 84 GLN : amide:sc= -0.0823 X(o=-0.082,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.905 K(o=-0.91,f=-1.8!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.909! C(o=-0.91!,f=-8.6!) USER MOD Single : A 95 SER OG : rot 98:sc= 0.202 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0318 USER MOD Single : A 101 33B O72 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.862 -0.237 -10.450 1.00 55.43 N ATOM 2 CA GLY A 1 -13.445 0.022 -10.690 1.00 72.23 C ATOM 3 C GLY A 1 -12.901 -1.078 -11.513 1.00 33.10 C ATOM 4 O GLY A 1 -13.640 -1.770 -12.235 1.00 2.05 O ATOM 0 H1 GLY A 1 -15.392 0.657 -10.500 1.00 55.43 H new ATOM 0 H2 GLY A 1 -15.222 -0.893 -11.172 1.00 55.43 H new ATOM 0 H3 GLY A 1 -14.983 -0.659 -9.507 1.00 55.43 H new ATOM 0 HA2 GLY A 1 -13.315 0.977 -11.200 1.00 72.23 H new ATOM 0 HA3 GLY A 1 -12.907 0.090 -9.745 1.00 72.23 H new ATOM 10 N PRO A 2 -11.578 -1.279 -11.395 1.00 51.01 N ATOM 11 CA PRO A 2 -10.869 -2.390 -12.027 1.00 20.30 C ATOM 12 C PRO A 2 -11.491 -3.702 -11.598 1.00 73.40 C ATOM 13 O PRO A 2 -12.192 -3.734 -10.576 1.00 43.32 O ATOM 14 CB PRO A 2 -9.419 -2.253 -11.507 1.00 62.23 C ATOM 15 CG PRO A 2 -9.279 -0.757 -11.162 1.00 70.32 C ATOM 16 CD PRO A 2 -10.680 -0.374 -10.673 1.00 1.45 C ATOM 0 HA PRO A 2 -10.912 -2.371 -13.116 1.00 20.30 H new ATOM 0 HB2 PRO A 2 -9.249 -2.881 -10.632 1.00 62.23 H new ATOM 0 HB3 PRO A 2 -8.695 -2.557 -12.263 1.00 62.23 H new ATOM 0 HG2 PRO A 2 -8.525 -0.591 -10.392 1.00 70.32 H new ATOM 0 HG3 PRO A 2 -8.982 -0.170 -12.031 1.00 70.32 H new ATOM 0 HD2 PRO A 2 -10.772 -0.500 -9.594 1.00 1.45 H new ATOM 0 HD3 PRO A 2 -10.906 0.669 -10.893 1.00 1.45 H new ATOM 24 N LYS A 3 -11.286 -4.765 -12.373 1.00 71.21 N ATOM 25 CA LYS A 3 -11.947 -6.022 -12.114 1.00 60.42 C ATOM 26 C LYS A 3 -11.136 -6.716 -11.048 1.00 14.15 C ATOM 27 O LYS A 3 -9.994 -6.353 -10.797 1.00 0.31 O ATOM 28 CB LYS A 3 -11.991 -6.911 -13.382 1.00 4.23 C ATOM 29 CG LYS A 3 -12.694 -6.209 -14.551 1.00 64.01 C ATOM 30 CD LYS A 3 -12.654 -7.002 -15.854 1.00 43.41 C ATOM 31 CE LYS A 3 -13.389 -6.313 -17.020 1.00 35.44 C ATOM 32 NZ LYS A 3 -12.872 -4.944 -17.242 1.00 31.53 N ATOM 0 H LYS A 3 -10.666 -4.771 -13.183 1.00 71.21 H new ATOM 0 HA LYS A 3 -12.977 -5.848 -11.804 1.00 60.42 H new ATOM 0 HB2 LYS A 3 -10.975 -7.175 -13.675 1.00 4.23 H new ATOM 0 HB3 LYS A 3 -12.509 -7.843 -13.154 1.00 4.23 H new ATOM 0 HG2 LYS A 3 -13.733 -6.024 -14.280 1.00 64.01 H new ATOM 0 HG3 LYS A 3 -12.228 -5.237 -14.713 1.00 64.01 H new ATOM 0 HD2 LYS A 3 -11.614 -7.166 -16.138 1.00 43.41 H new ATOM 0 HD3 LYS A 3 -13.097 -7.983 -15.686 1.00 43.41 H new ATOM 0 HE2 LYS A 3 -13.268 -6.902 -17.929 1.00 35.44 H new ATOM 0 HE3 LYS A 3 -14.457 -6.271 -16.807 1.00 35.44 H new ATOM 0 HZ1 LYS A 3 -13.273 -4.560 -18.122 1.00 31.53 H new ATOM 0 HZ2 LYS A 3 -13.145 -4.336 -16.443 1.00 31.53 H new ATOM 0 HZ3 LYS A 3 -11.835 -4.972 -17.317 1.00 31.53 H new ATOM 46 N PRO A 4 -11.734 -7.708 -10.371 1.00 14.13 N ATOM 47 CA PRO A 4 -11.045 -8.477 -9.351 1.00 22.34 C ATOM 48 C PRO A 4 -9.810 -9.125 -9.941 1.00 21.45 C ATOM 49 O PRO A 4 -9.931 -9.898 -10.892 1.00 74.15 O ATOM 50 CB PRO A 4 -12.077 -9.526 -8.884 1.00 51.31 C ATOM 51 CG PRO A 4 -13.439 -8.887 -9.220 1.00 11.25 C ATOM 52 CD PRO A 4 -13.145 -8.095 -10.506 1.00 1.30 C ATOM 0 HA PRO A 4 -10.699 -7.867 -8.517 1.00 22.34 H new ATOM 0 HB2 PRO A 4 -11.943 -10.475 -9.402 1.00 51.31 H new ATOM 0 HB3 PRO A 4 -11.984 -9.729 -7.817 1.00 51.31 H new ATOM 0 HG2 PRO A 4 -14.210 -9.641 -9.378 1.00 11.25 H new ATOM 0 HG3 PRO A 4 -13.788 -8.237 -8.417 1.00 11.25 H new ATOM 0 HD2 PRO A 4 -13.309 -8.703 -11.396 1.00 1.30 H new ATOM 0 HD3 PRO A 4 -13.792 -7.222 -10.594 1.00 1.30 H new ATOM 60 N GLY A 5 -8.635 -8.805 -9.398 1.00 32.15 N ATOM 61 CA GLY A 5 -7.407 -9.420 -9.851 1.00 62.54 C ATOM 62 C GLY A 5 -6.650 -8.425 -10.678 1.00 42.54 C ATOM 63 O GLY A 5 -5.455 -8.569 -10.869 1.00 55.12 O ATOM 0 H GLY A 5 -8.517 -8.125 -8.647 1.00 32.15 H new ATOM 0 HA2 GLY A 5 -6.807 -9.738 -8.999 1.00 62.54 H new ATOM 0 HA3 GLY A 5 -7.625 -10.312 -10.438 1.00 62.54 H new ATOM 67 N ASP A 6 -7.353 -7.397 -11.215 1.00 50.40 N ATOM 68 CA ASP A 6 -6.701 -6.411 -12.100 1.00 12.13 C ATOM 69 C ASP A 6 -5.634 -5.704 -11.333 1.00 23.14 C ATOM 70 O ASP A 6 -5.802 -5.376 -10.159 1.00 64.23 O ATOM 71 CB ASP A 6 -7.623 -5.298 -12.676 1.00 20.41 C ATOM 72 CG ASP A 6 -8.491 -5.831 -13.798 1.00 4.32 C ATOM 73 OD1 ASP A 6 -8.392 -7.034 -14.140 1.00 25.24 O ATOM 74 OD2 ASP A 6 -9.273 -5.026 -14.364 1.00 44.44 O ATOM 0 H ASP A 6 -8.347 -7.234 -11.054 1.00 50.40 H new ATOM 0 HA ASP A 6 -6.340 -7.002 -12.942 1.00 12.13 H new ATOM 0 HB2 ASP A 6 -8.255 -4.899 -11.882 1.00 20.41 H new ATOM 0 HB3 ASP A 6 -7.014 -4.472 -13.045 1.00 20.41 H new ATOM 79 N ILE A 7 -4.509 -5.457 -12.012 1.00 43.34 N ATOM 80 CA ILE A 7 -3.421 -4.711 -11.450 1.00 20.34 C ATOM 81 C ILE A 7 -3.722 -3.298 -11.842 1.00 11.24 C ATOM 82 O ILE A 7 -4.135 -3.035 -12.984 1.00 75.23 O ATOM 83 CB ILE A 7 -2.030 -5.123 -12.009 1.00 50.12 C ATOM 84 CG1 ILE A 7 -1.589 -6.521 -11.505 1.00 43.25 C ATOM 85 CG2 ILE A 7 -0.985 -4.048 -11.646 1.00 62.13 C ATOM 86 CD1 ILE A 7 -2.405 -7.679 -12.048 1.00 32.44 C ATOM 0 H ILE A 7 -4.345 -5.777 -12.967 1.00 43.34 H new ATOM 0 HA ILE A 7 -3.352 -4.879 -10.375 1.00 20.34 H new ATOM 0 HB ILE A 7 -2.109 -5.194 -13.094 1.00 50.12 H new ATOM 0 HG12 ILE A 7 -0.543 -6.675 -11.772 1.00 43.25 H new ATOM 0 HG13 ILE A 7 -1.645 -6.534 -10.417 1.00 43.25 H new ATOM 0 HG21 ILE A 7 -0.011 -4.340 -12.039 1.00 62.13 H new ATOM 0 HG22 ILE A 7 -1.280 -3.093 -12.080 1.00 62.13 H new ATOM 0 HG23 ILE A 7 -0.924 -3.951 -10.562 1.00 62.13 H new ATOM 0 HD11 ILE A 7 -2.024 -8.615 -11.641 1.00 32.44 H new ATOM 0 HD12 ILE A 7 -3.449 -7.556 -11.759 1.00 32.44 H new ATOM 0 HD13 ILE A 7 -2.330 -7.699 -13.135 1.00 32.44 H new ATOM 98 N PHE A 8 -3.587 -2.366 -10.902 1.00 11.41 N ATOM 99 CA PHE A 8 -3.888 -1.002 -11.176 1.00 42.43 C ATOM 100 C PHE A 8 -2.844 -0.198 -10.490 1.00 24.55 C ATOM 101 O PHE A 8 -2.277 -0.627 -9.483 1.00 3.11 O ATOM 102 CB PHE A 8 -5.329 -0.527 -10.721 1.00 11.25 C ATOM 103 CG PHE A 8 -5.569 -0.765 -9.230 1.00 42.03 C ATOM 104 CD1 PHE A 8 -5.574 -2.082 -8.671 1.00 64.14 C ATOM 105 CD2 PHE A 8 -5.847 0.329 -8.373 1.00 74.43 C ATOM 106 CE1 PHE A 8 -5.808 -2.269 -7.292 1.00 4.15 C ATOM 107 CE2 PHE A 8 -6.095 0.123 -6.998 1.00 60.44 C ATOM 108 CZ PHE A 8 -6.065 -1.170 -6.462 1.00 54.44 C ATOM 0 H PHE A 8 -3.270 -2.551 -9.950 1.00 11.41 H new ATOM 0 HA PHE A 8 -3.893 -0.867 -12.258 1.00 42.43 H new ATOM 0 HB2 PHE A 8 -5.447 0.534 -10.942 1.00 11.25 H new ATOM 0 HB3 PHE A 8 -6.085 -1.059 -11.299 1.00 11.25 H new ATOM 0 HD1 PHE A 8 -5.398 -2.937 -9.307 1.00 64.14 H new ATOM 0 HD2 PHE A 8 -5.869 1.331 -8.776 1.00 74.43 H new ATOM 0 HE1 PHE A 8 -5.789 -3.265 -6.874 1.00 4.15 H new ATOM 0 HE2 PHE A 8 -6.309 0.966 -6.358 1.00 60.44 H new ATOM 0 HZ PHE A 8 -6.240 -1.320 -5.407 1.00 54.44 H new ATOM 118 N GLU A 9 -2.536 0.979 -11.044 1.00 62.33 N ATOM 119 CA GLU A 9 -1.555 1.832 -10.452 1.00 51.52 C ATOM 120 C GLU A 9 -2.317 2.890 -9.763 1.00 40.13 C ATOM 121 O GLU A 9 -3.324 3.366 -10.279 1.00 12.52 O ATOM 122 CB GLU A 9 -0.645 2.551 -11.470 1.00 64.14 C ATOM 123 CG GLU A 9 0.082 1.587 -12.382 1.00 62.15 C ATOM 124 CD GLU A 9 1.161 2.337 -13.099 1.00 11.51 C ATOM 125 OE1 GLU A 9 0.839 3.231 -13.913 1.00 72.52 O ATOM 126 OE2 GLU A 9 2.343 2.032 -12.853 1.00 32.11 O ATOM 0 H GLU A 9 -2.961 1.343 -11.897 1.00 62.33 H new ATOM 0 HA GLU A 9 -0.914 1.220 -9.818 1.00 51.52 H new ATOM 0 HB2 GLU A 9 -1.247 3.232 -12.072 1.00 64.14 H new ATOM 0 HB3 GLU A 9 0.084 3.159 -10.934 1.00 64.14 H new ATOM 0 HG2 GLU A 9 0.509 0.768 -11.804 1.00 62.15 H new ATOM 0 HG3 GLU A 9 -0.612 1.145 -13.097 1.00 62.15 H new ATOM 133 N VAL A 10 -1.855 3.284 -8.601 1.00 51.21 N ATOM 134 CA VAL A 10 -2.427 4.388 -7.919 1.00 23.11 C ATOM 135 C VAL A 10 -1.285 5.287 -7.682 1.00 72.24 C ATOM 136 O VAL A 10 -0.264 4.866 -7.141 1.00 52.30 O ATOM 137 CB VAL A 10 -3.049 4.013 -6.580 1.00 2.33 C ATOM 138 CG1 VAL A 10 -3.625 5.277 -5.916 1.00 54.34 C ATOM 139 CG2 VAL A 10 -4.121 2.937 -6.836 1.00 22.31 C ATOM 0 H VAL A 10 -1.075 2.842 -8.115 1.00 51.21 H new ATOM 0 HA VAL A 10 -3.236 4.823 -8.506 1.00 23.11 H new ATOM 0 HB VAL A 10 -2.309 3.601 -5.894 1.00 2.33 H new ATOM 0 HG11 VAL A 10 -4.071 5.013 -4.957 1.00 54.34 H new ATOM 0 HG12 VAL A 10 -2.826 6.001 -5.757 1.00 54.34 H new ATOM 0 HG13 VAL A 10 -4.386 5.713 -6.563 1.00 54.34 H new ATOM 0 HG21 VAL A 10 -4.582 2.651 -5.891 1.00 22.31 H new ATOM 0 HG22 VAL A 10 -4.883 3.335 -7.506 1.00 22.31 H new ATOM 0 HG23 VAL A 10 -3.657 2.063 -7.293 1.00 22.31 H new ATOM 149 N GLU A 11 -1.397 6.548 -8.105 1.00 40.34 N ATOM 150 CA GLU A 11 -0.363 7.480 -7.804 1.00 45.24 C ATOM 151 C GLU A 11 -0.887 8.303 -6.689 1.00 15.12 C ATOM 152 O GLU A 11 -2.021 8.796 -6.744 1.00 42.14 O ATOM 153 CB GLU A 11 0.109 8.340 -8.988 1.00 50.34 C ATOM 154 CG GLU A 11 -0.935 9.251 -9.619 1.00 3.31 C ATOM 155 CD GLU A 11 -0.395 9.678 -10.963 1.00 40.24 C ATOM 156 OE1 GLU A 11 0.823 9.995 -11.063 1.00 31.12 O ATOM 157 OE2 GLU A 11 -1.169 9.660 -11.946 1.00 20.21 O ATOM 0 H GLU A 11 -2.181 6.920 -8.642 1.00 40.34 H new ATOM 0 HA GLU A 11 0.544 6.939 -7.535 1.00 45.24 H new ATOM 0 HB2 GLU A 11 0.943 8.957 -8.652 1.00 50.34 H new ATOM 0 HB3 GLU A 11 0.495 7.676 -9.761 1.00 50.34 H new ATOM 0 HG2 GLU A 11 -1.884 8.728 -9.734 1.00 3.31 H new ATOM 0 HG3 GLU A 11 -1.123 10.118 -8.986 1.00 3.31 H new ATOM 164 N LEU A 12 -0.127 8.356 -5.599 1.00 73.11 N ATOM 165 CA LEU A 12 -0.616 8.907 -4.388 1.00 24.15 C ATOM 166 C LEU A 12 0.210 10.097 -4.101 1.00 40.22 C ATOM 167 O LEU A 12 1.435 9.994 -3.983 1.00 54.32 O ATOM 168 CB LEU A 12 -0.461 7.910 -3.207 1.00 4.41 C ATOM 169 CG LEU A 12 -1.630 7.921 -2.216 1.00 74.05 C ATOM 170 CD1 LEU A 12 -1.725 9.212 -1.397 1.00 51.11 C ATOM 171 CD2 LEU A 12 -2.957 7.554 -2.901 1.00 22.00 C ATOM 0 H LEU A 12 0.833 8.016 -5.553 1.00 73.11 H new ATOM 0 HA LEU A 12 -1.675 9.144 -4.494 1.00 24.15 H new ATOM 0 HB2 LEU A 12 -0.350 6.903 -3.609 1.00 4.41 H new ATOM 0 HB3 LEU A 12 0.458 8.142 -2.669 1.00 4.41 H new ATOM 0 HG LEU A 12 -1.418 7.140 -1.486 1.00 74.05 H new ATOM 0 HD11 LEU A 12 -2.575 9.150 -0.717 1.00 51.11 H new ATOM 0 HD12 LEU A 12 -0.809 9.346 -0.822 1.00 51.11 H new ATOM 0 HD13 LEU A 12 -1.859 10.060 -2.069 1.00 51.11 H new ATOM 0 HD21 LEU A 12 -3.763 7.572 -2.167 1.00 22.00 H new ATOM 0 HD22 LEU A 12 -3.170 8.274 -3.691 1.00 22.00 H new ATOM 0 HD23 LEU A 12 -2.881 6.555 -3.331 1.00 22.00 H new ATOM 183 N ALA A 13 -0.442 11.264 -3.988 1.00 21.43 N ATOM 184 CA ALA A 13 0.261 12.467 -3.648 1.00 23.01 C ATOM 185 C ALA A 13 0.060 12.669 -2.184 1.00 51.13 C ATOM 186 O ALA A 13 -1.026 12.449 -1.664 1.00 42.31 O ATOM 187 CB ALA A 13 -0.259 13.717 -4.362 1.00 22.23 C ATOM 0 H ALA A 13 -1.446 11.380 -4.129 1.00 21.43 H new ATOM 0 HA ALA A 13 1.302 12.345 -3.948 1.00 23.01 H new ATOM 0 HB1 ALA A 13 0.325 14.583 -4.051 1.00 22.23 H new ATOM 0 HB2 ALA A 13 -0.166 13.585 -5.440 1.00 22.23 H new ATOM 0 HB3 ALA A 13 -1.306 13.874 -4.104 1.00 22.23 H new ATOM 193 N LYS A 14 1.117 13.091 -1.497 1.00 3.24 N ATOM 194 CA LYS A 14 1.083 13.348 -0.059 1.00 21.14 C ATOM 195 C LYS A 14 1.092 14.843 0.103 1.00 45.35 C ATOM 196 O LYS A 14 1.664 15.383 1.051 1.00 61.52 O ATOM 197 CB LYS A 14 2.268 12.748 0.739 1.00 32.03 C ATOM 198 CG LYS A 14 2.068 11.262 1.162 1.00 32.24 C ATOM 199 CD LYS A 14 1.957 10.249 0.024 1.00 21.43 C ATOM 200 CE LYS A 14 3.158 10.248 -0.916 1.00 22.21 C ATOM 201 NZ LYS A 14 4.436 10.033 -0.184 1.00 41.11 N ATOM 0 H LYS A 14 2.027 13.266 -1.924 1.00 3.24 H new ATOM 0 HA LYS A 14 0.194 12.865 0.346 1.00 21.14 H new ATOM 0 HB2 LYS A 14 3.173 12.823 0.136 1.00 32.03 H new ATOM 0 HB3 LYS A 14 2.430 13.350 1.633 1.00 32.03 H new ATOM 0 HG2 LYS A 14 2.903 10.971 1.800 1.00 32.24 H new ATOM 0 HG3 LYS A 14 1.165 11.197 1.769 1.00 32.24 H new ATOM 0 HD2 LYS A 14 1.838 9.252 0.448 1.00 21.43 H new ATOM 0 HD3 LYS A 14 1.056 10.460 -0.552 1.00 21.43 H new ATOM 0 HE2 LYS A 14 3.032 9.466 -1.665 1.00 22.21 H new ATOM 0 HE3 LYS A 14 3.201 11.197 -1.451 1.00 22.21 H new ATOM 0 HZ1 LYS A 14 5.226 10.022 -0.860 1.00 41.11 H new ATOM 0 HZ2 LYS A 14 4.577 10.803 0.501 1.00 41.11 H new ATOM 0 HZ3 LYS A 14 4.399 9.124 0.319 1.00 41.11 H new ATOM 215 N ASN A 15 0.455 15.535 -0.855 1.00 15.35 N ATOM 216 CA ASN A 15 0.380 17.004 -0.833 1.00 41.30 C ATOM 217 C ASN A 15 -0.747 17.360 0.104 1.00 53.00 C ATOM 218 O ASN A 15 -1.685 18.056 -0.260 1.00 54.43 O ATOM 219 CB ASN A 15 0.076 17.652 -2.211 1.00 2.31 C ATOM 220 CG ASN A 15 1.340 17.597 -3.072 1.00 63.12 C ATOM 221 OD1 ASN A 15 2.389 17.118 -2.635 1.00 52.44 O ATOM 222 ND2 ASN A 15 1.253 18.094 -4.317 1.00 54.31 N ATOM 0 H ASN A 15 -0.014 15.103 -1.651 1.00 15.35 H new ATOM 0 HA ASN A 15 1.355 17.381 -0.526 1.00 41.30 H new ATOM 0 HB2 ASN A 15 -0.740 17.124 -2.704 1.00 2.31 H new ATOM 0 HB3 ASN A 15 -0.246 18.685 -2.079 1.00 2.31 H new ATOM 0 HD21 ASN A 15 2.069 18.082 -4.929 1.00 54.31 H new ATOM 0 HD22 ASN A 15 0.371 18.484 -4.650 1.00 54.31 H new ATOM 229 N ASP A 16 -0.652 16.853 1.335 1.00 11.32 N ATOM 230 CA ASP A 16 -1.634 17.050 2.360 1.00 33.31 C ATOM 231 C ASP A 16 -0.776 17.274 3.580 1.00 33.13 C ATOM 232 O ASP A 16 0.201 18.011 3.520 1.00 74.42 O ATOM 233 CB ASP A 16 -2.539 15.772 2.579 1.00 23.43 C ATOM 234 CG ASP A 16 -3.702 16.086 3.522 1.00 22.41 C ATOM 235 OD1 ASP A 16 -4.718 16.682 3.062 1.00 32.01 O ATOM 236 OD2 ASP A 16 -3.605 15.737 4.716 1.00 74.43 O ATOM 0 H ASP A 16 0.137 16.282 1.637 1.00 11.32 H new ATOM 0 HA ASP A 16 -2.326 17.859 2.124 1.00 33.31 H new ATOM 0 HB2 ASP A 16 -2.925 15.426 1.620 1.00 23.43 H new ATOM 0 HB3 ASP A 16 -1.938 14.962 2.992 1.00 23.43 H new ATOM 241 N ASN A 17 -1.088 16.615 4.679 1.00 2.42 N ATOM 242 CA ASN A 17 -0.236 16.610 5.840 1.00 75.23 C ATOM 243 C ASN A 17 -0.211 15.191 6.259 1.00 34.22 C ATOM 244 O ASN A 17 0.847 14.577 6.377 1.00 31.44 O ATOM 245 CB ASN A 17 -0.793 17.421 7.039 1.00 41.02 C ATOM 246 CG ASN A 17 -0.608 18.906 6.770 1.00 33.01 C ATOM 247 OD1 ASN A 17 0.476 19.347 6.379 1.00 24.14 O ATOM 248 ND2 ASN A 17 -1.668 19.705 6.991 1.00 14.34 N ATOM 0 H ASN A 17 -1.942 16.068 4.787 1.00 2.42 H new ATOM 0 HA ASN A 17 0.725 17.055 5.583 1.00 75.23 H new ATOM 0 HB2 ASN A 17 -1.849 17.195 7.186 1.00 41.02 H new ATOM 0 HB3 ASN A 17 -0.276 17.138 7.956 1.00 41.02 H new ATOM 0 HD21 ASN A 17 -1.590 20.710 6.835 1.00 14.34 H new ATOM 0 HD22 ASN A 17 -2.549 19.306 7.314 1.00 14.34 H new ATOM 255 N SER A 18 -1.408 14.628 6.490 1.00 21.04 N ATOM 256 CA SER A 18 -1.524 13.265 6.926 1.00 54.12 C ATOM 257 C SER A 18 -1.207 12.367 5.750 1.00 33.20 C ATOM 258 O SER A 18 -1.984 12.289 4.789 1.00 5.22 O ATOM 259 CB SER A 18 -2.958 12.917 7.401 1.00 15.12 C ATOM 260 OG SER A 18 -3.375 13.795 8.455 1.00 73.21 O ATOM 0 H SER A 18 -2.298 15.113 6.376 1.00 21.04 H new ATOM 0 HA SER A 18 -0.839 13.123 7.762 1.00 54.12 H new ATOM 0 HB2 SER A 18 -3.651 12.993 6.563 1.00 15.12 H new ATOM 0 HB3 SER A 18 -2.990 11.884 7.748 1.00 15.12 H new ATOM 0 HG SER A 18 -4.283 13.558 8.738 1.00 73.21 H new ATOM 266 N LEU A 19 -0.049 11.655 5.809 1.00 35.23 N ATOM 267 CA LEU A 19 0.246 10.633 4.818 1.00 40.33 C ATOM 268 C LEU A 19 -0.689 9.511 5.178 1.00 43.32 C ATOM 269 O LEU A 19 -1.583 9.131 4.432 1.00 10.20 O ATOM 270 CB LEU A 19 1.718 10.086 4.898 1.00 13.44 C ATOM 271 CG LEU A 19 2.801 11.141 5.292 1.00 0.10 C ATOM 272 CD1 LEU A 19 4.199 10.507 5.427 1.00 65.25 C ATOM 273 CD2 LEU A 19 2.821 12.409 4.411 1.00 33.04 C ATOM 0 H LEU A 19 0.669 11.780 6.523 1.00 35.23 H new ATOM 0 HA LEU A 19 0.130 11.037 3.812 1.00 40.33 H new ATOM 0 HB2 LEU A 19 1.747 9.272 5.622 1.00 13.44 H new ATOM 0 HB3 LEU A 19 1.983 9.661 3.930 1.00 13.44 H new ATOM 0 HG LEU A 19 2.497 11.497 6.276 1.00 0.10 H new ATOM 0 HD11 LEU A 19 4.922 11.275 5.702 1.00 65.25 H new ATOM 0 HD12 LEU A 19 4.176 9.737 6.198 1.00 65.25 H new ATOM 0 HD13 LEU A 19 4.489 10.060 4.476 1.00 65.25 H new ATOM 0 HD21 LEU A 19 3.604 13.082 4.760 1.00 33.04 H new ATOM 0 HD22 LEU A 19 3.017 12.130 3.376 1.00 33.04 H new ATOM 0 HD23 LEU A 19 1.856 12.912 4.475 1.00 33.04 H new ATOM 285 N GLY A 20 -0.527 9.095 6.448 1.00 12.52 N ATOM 286 CA GLY A 20 -1.461 8.262 7.157 1.00 74.24 C ATOM 287 C GLY A 20 -1.681 6.957 6.495 1.00 61.01 C ATOM 288 O GLY A 20 -2.831 6.541 6.329 1.00 63.15 O ATOM 0 H GLY A 20 0.288 9.348 7.007 1.00 12.52 H new ATOM 0 HA2 GLY A 20 -1.095 8.094 8.170 1.00 74.24 H new ATOM 0 HA3 GLY A 20 -2.413 8.785 7.245 1.00 74.24 H new ATOM 292 N ILE A 21 -0.603 6.254 6.133 1.00 21.40 N ATOM 293 CA ILE A 21 -0.742 4.926 5.624 1.00 43.54 C ATOM 294 C ILE A 21 0.181 4.111 6.477 1.00 13.34 C ATOM 295 O ILE A 21 1.204 4.623 6.931 1.00 20.25 O ATOM 296 CB ILE A 21 -0.294 4.791 4.155 1.00 11.32 C ATOM 297 CG1 ILE A 21 -0.802 5.990 3.317 1.00 0.23 C ATOM 298 CG2 ILE A 21 -0.777 3.422 3.598 1.00 25.24 C ATOM 299 CD1 ILE A 21 -0.402 5.922 1.836 1.00 13.11 C ATOM 0 H ILE A 21 0.356 6.595 6.190 1.00 21.40 H new ATOM 0 HA ILE A 21 -1.787 4.616 5.652 1.00 43.54 H new ATOM 0 HB ILE A 21 0.794 4.813 4.092 1.00 11.32 H new ATOM 0 HG12 ILE A 21 -1.889 6.038 3.389 1.00 0.23 H new ATOM 0 HG13 ILE A 21 -0.413 6.913 3.747 1.00 0.23 H new ATOM 0 HG21 ILE A 21 -0.463 3.321 2.559 1.00 25.24 H new ATOM 0 HG22 ILE A 21 -0.343 2.615 4.189 1.00 25.24 H new ATOM 0 HG23 ILE A 21 -1.864 3.369 3.655 1.00 25.24 H new ATOM 0 HD11 ILE A 21 -0.793 6.795 1.313 1.00 13.11 H new ATOM 0 HD12 ILE A 21 0.685 5.906 1.753 1.00 13.11 H new ATOM 0 HD13 ILE A 21 -0.813 5.017 1.389 1.00 13.11 H new ATOM 311 N CYS A 22 -0.140 2.826 6.677 1.00 32.14 N ATOM 312 CA CYS A 22 0.805 1.903 7.256 1.00 62.21 C ATOM 313 C CYS A 22 0.389 0.610 6.680 1.00 24.11 C ATOM 314 O CYS A 22 -0.654 0.529 6.015 1.00 44.44 O ATOM 315 CB CYS A 22 0.717 1.736 8.807 1.00 33.33 C ATOM 316 SG CYS A 22 1.133 3.246 9.733 1.00 63.32 S ATOM 0 H CYS A 22 -1.045 2.418 6.443 1.00 32.14 H new ATOM 0 HA CYS A 22 1.817 2.253 7.051 1.00 62.21 H new ATOM 0 HB2 CYS A 22 -0.293 1.425 9.073 1.00 33.33 H new ATOM 0 HB3 CYS A 22 1.389 0.935 9.116 1.00 33.33 H new ATOM 321 N VAL A 23 1.228 -0.409 6.818 1.00 23.10 N ATOM 322 CA VAL A 23 1.043 -1.611 6.091 1.00 2.31 C ATOM 323 C VAL A 23 1.419 -2.726 7.026 1.00 45.55 C ATOM 324 O VAL A 23 1.946 -2.489 8.117 1.00 11.35 O ATOM 325 CB VAL A 23 1.915 -1.688 4.835 1.00 51.02 C ATOM 326 CG1 VAL A 23 1.205 -0.935 3.689 1.00 42.24 C ATOM 327 CG2 VAL A 23 3.286 -1.091 5.155 1.00 33.14 C ATOM 0 H VAL A 23 2.040 -0.405 7.435 1.00 23.10 H new ATOM 0 HA VAL A 23 0.010 -1.672 5.749 1.00 2.31 H new ATOM 0 HB VAL A 23 2.063 -2.720 4.516 1.00 51.02 H new ATOM 0 HG11 VAL A 23 1.817 -0.983 2.788 1.00 42.24 H new ATOM 0 HG12 VAL A 23 0.237 -1.397 3.495 1.00 42.24 H new ATOM 0 HG13 VAL A 23 1.059 0.107 3.974 1.00 42.24 H new ATOM 0 HG21 VAL A 23 3.919 -1.139 4.269 1.00 33.14 H new ATOM 0 HG22 VAL A 23 3.168 -0.052 5.461 1.00 33.14 H new ATOM 0 HG23 VAL A 23 3.749 -1.657 5.963 1.00 33.14 H new ATOM 337 N THR A 24 1.092 -3.939 6.621 1.00 41.13 N ATOM 338 CA THR A 24 1.368 -5.116 7.365 1.00 25.34 C ATOM 339 C THR A 24 1.796 -6.084 6.304 1.00 54.53 C ATOM 340 O THR A 24 1.579 -5.826 5.122 1.00 23.34 O ATOM 341 CB THR A 24 0.137 -5.678 8.128 1.00 42.15 C ATOM 342 OG1 THR A 24 0.487 -6.823 8.922 1.00 0.22 O ATOM 343 CG2 THR A 24 -0.986 -6.039 7.117 1.00 52.15 C ATOM 0 H THR A 24 0.614 -4.119 5.738 1.00 41.13 H new ATOM 0 HA THR A 24 2.106 -4.928 8.145 1.00 25.34 H new ATOM 0 HB THR A 24 -0.225 -4.907 8.808 1.00 42.15 H new ATOM 0 HG1 THR A 24 -0.308 -7.152 9.391 1.00 0.22 H new ATOM 0 HG21 THR A 24 -1.848 -6.433 7.656 1.00 52.15 H new ATOM 0 HG22 THR A 24 -1.280 -5.146 6.566 1.00 52.15 H new ATOM 0 HG23 THR A 24 -0.619 -6.792 6.419 1.00 52.15 H new ATOM 351 N GLY A 25 2.398 -7.212 6.692 1.00 64.11 N ATOM 352 CA GLY A 25 2.743 -8.225 5.727 1.00 73.01 C ATOM 353 C GLY A 25 4.091 -7.941 5.164 1.00 35.11 C ATOM 354 O GLY A 25 4.377 -6.843 4.776 1.00 44.04 O ATOM 0 H GLY A 25 2.648 -7.432 7.656 1.00 64.11 H new ATOM 0 HA2 GLY A 25 2.734 -9.208 6.198 1.00 73.01 H new ATOM 0 HA3 GLY A 25 2.002 -8.248 4.928 1.00 73.01 H new ATOM 358 N GLY A 26 4.946 -8.964 5.140 1.00 24.21 N ATOM 359 CA GLY A 26 6.144 -8.925 4.360 1.00 31.22 C ATOM 360 C GLY A 26 6.692 -10.326 4.284 1.00 40.41 C ATOM 361 O GLY A 26 6.333 -11.100 3.405 1.00 52.31 O ATOM 0 H GLY A 26 4.813 -9.829 5.663 1.00 24.21 H new ATOM 0 HA2 GLY A 26 5.937 -8.542 3.361 1.00 31.22 H new ATOM 0 HA3 GLY A 26 6.873 -8.254 4.814 1.00 31.22 H new ATOM 365 N VAL A 27 7.592 -10.676 5.228 1.00 1.14 N ATOM 366 CA VAL A 27 8.375 -11.927 5.240 1.00 43.42 C ATOM 367 C VAL A 27 7.533 -13.195 5.464 1.00 34.44 C ATOM 368 O VAL A 27 8.080 -14.198 5.891 1.00 61.44 O ATOM 369 CB VAL A 27 9.517 -11.903 6.240 1.00 41.14 C ATOM 370 CG1 VAL A 27 10.520 -10.836 5.778 1.00 31.24 C ATOM 371 CG2 VAL A 27 8.958 -11.638 7.646 1.00 14.22 C ATOM 0 H VAL A 27 7.799 -10.076 6.027 1.00 1.14 H new ATOM 0 HA VAL A 27 8.787 -11.977 4.232 1.00 43.42 H new ATOM 0 HB VAL A 27 10.037 -12.860 6.290 1.00 41.14 H new ATOM 0 HG11 VAL A 27 11.355 -10.794 6.478 1.00 31.24 H new ATOM 0 HG12 VAL A 27 10.891 -11.091 4.785 1.00 31.24 H new ATOM 0 HG13 VAL A 27 10.027 -9.864 5.743 1.00 31.24 H new ATOM 0 HG21 VAL A 27 9.777 -11.620 8.366 1.00 14.22 H new ATOM 0 HG22 VAL A 27 8.444 -10.677 7.658 1.00 14.22 H new ATOM 0 HG23 VAL A 27 8.257 -12.428 7.914 1.00 14.22 H new ATOM 381 N ASN A 28 6.207 -13.152 5.229 1.00 53.23 N ATOM 382 CA ASN A 28 5.252 -14.220 5.652 1.00 70.11 C ATOM 383 C ASN A 28 4.809 -13.884 7.017 1.00 12.04 C ATOM 384 O ASN A 28 5.061 -14.580 7.986 1.00 22.41 O ATOM 385 CB ASN A 28 5.708 -15.732 5.631 1.00 5.35 C ATOM 386 CG ASN A 28 5.881 -16.209 4.193 1.00 4.00 C ATOM 387 OD1 ASN A 28 5.099 -17.032 3.710 1.00 1.12 O ATOM 388 ND2 ASN A 28 6.907 -15.711 3.498 1.00 63.34 N ATOM 0 H ASN A 28 5.757 -12.378 4.740 1.00 53.23 H new ATOM 0 HA ASN A 28 4.483 -14.202 4.880 1.00 70.11 H new ATOM 0 HB2 ASN A 28 6.646 -15.844 6.175 1.00 5.35 H new ATOM 0 HB3 ASN A 28 4.968 -16.350 6.140 1.00 5.35 H new ATOM 0 HD21 ASN A 28 7.064 -16.010 2.535 1.00 63.34 H new ATOM 0 HD22 ASN A 28 7.534 -15.032 3.930 1.00 63.34 H new ATOM 395 N THR A 29 4.100 -12.773 7.071 1.00 13.33 N ATOM 396 CA THR A 29 3.430 -12.309 8.251 1.00 13.23 C ATOM 397 C THR A 29 2.056 -12.988 8.185 1.00 74.11 C ATOM 398 O THR A 29 1.884 -13.939 7.427 1.00 30.21 O ATOM 399 CB THR A 29 3.296 -10.794 8.280 1.00 31.23 C ATOM 400 OG1 THR A 29 4.494 -10.206 7.747 1.00 40.32 O ATOM 401 CG2 THR A 29 3.083 -10.280 9.725 1.00 71.01 C ATOM 0 H THR A 29 3.976 -12.157 6.267 1.00 13.33 H new ATOM 0 HA THR A 29 3.983 -12.555 9.158 1.00 13.23 H new ATOM 0 HB THR A 29 2.430 -10.513 7.680 1.00 31.23 H new ATOM 0 HG1 THR A 29 4.413 -9.229 7.761 1.00 40.32 H new ATOM 0 HG21 THR A 29 2.991 -9.194 9.715 1.00 71.01 H new ATOM 0 HG22 THR A 29 2.174 -10.718 10.137 1.00 71.01 H new ATOM 0 HG23 THR A 29 3.935 -10.566 10.342 1.00 71.01 H new ATOM 409 N SER A 30 1.089 -12.537 9.009 1.00 32.42 N ATOM 410 CA SER A 30 -0.266 -13.092 9.087 1.00 43.14 C ATOM 411 C SER A 30 -0.866 -13.341 7.701 1.00 11.34 C ATOM 412 O SER A 30 -1.632 -14.283 7.513 1.00 53.43 O ATOM 413 CB SER A 30 -1.208 -12.117 9.826 1.00 2.54 C ATOM 414 OG SER A 30 -0.560 -11.625 11.007 1.00 52.22 O ATOM 0 H SER A 30 1.238 -11.759 9.651 1.00 32.42 H new ATOM 0 HA SER A 30 -0.179 -14.037 9.623 1.00 43.14 H new ATOM 0 HB2 SER A 30 -1.474 -11.287 9.172 1.00 2.54 H new ATOM 0 HB3 SER A 30 -2.136 -12.623 10.092 1.00 2.54 H new ATOM 0 HG SER A 30 -1.158 -11.005 11.474 1.00 52.22 H new ATOM 420 N VAL A 31 -0.526 -12.500 6.707 1.00 31.42 N ATOM 421 CA VAL A 31 -1.110 -12.619 5.407 1.00 1.03 C ATOM 422 C VAL A 31 -0.302 -13.649 4.617 1.00 32.43 C ATOM 423 O VAL A 31 0.938 -13.629 4.592 1.00 71.35 O ATOM 424 CB VAL A 31 -1.173 -11.298 4.683 1.00 33.42 C ATOM 425 CG1 VAL A 31 -2.249 -10.444 5.392 1.00 43.34 C ATOM 426 CG2 VAL A 31 0.218 -10.629 4.719 1.00 74.43 C ATOM 0 H VAL A 31 0.149 -11.742 6.803 1.00 31.42 H new ATOM 0 HA VAL A 31 -2.144 -12.949 5.508 1.00 1.03 H new ATOM 0 HB VAL A 31 -1.442 -11.418 3.634 1.00 33.42 H new ATOM 0 HG11 VAL A 31 -2.328 -9.475 4.899 1.00 43.34 H new ATOM 0 HG12 VAL A 31 -3.210 -10.956 5.343 1.00 43.34 H new ATOM 0 HG13 VAL A 31 -1.968 -10.298 6.435 1.00 43.34 H new ATOM 0 HG21 VAL A 31 0.176 -9.673 4.196 1.00 74.43 H new ATOM 0 HG22 VAL A 31 0.515 -10.463 5.754 1.00 74.43 H new ATOM 0 HG23 VAL A 31 0.946 -11.277 4.232 1.00 74.43 H new ATOM 436 N ARG A 32 -1.030 -14.618 4.034 1.00 52.44 N ATOM 437 CA ARG A 32 -0.438 -15.833 3.487 1.00 23.22 C ATOM 438 C ARG A 32 0.445 -15.566 2.286 1.00 64.21 C ATOM 439 O ARG A 32 1.442 -16.255 2.100 1.00 12.02 O ATOM 440 CB ARG A 32 -1.487 -16.879 3.096 1.00 52.14 C ATOM 441 CG ARG A 32 -2.370 -17.308 4.284 1.00 74.31 C ATOM 442 CD ARG A 32 -3.367 -18.420 3.929 1.00 45.02 C ATOM 443 NE ARG A 32 -2.586 -19.573 3.349 1.00 71.42 N ATOM 444 CZ ARG A 32 -2.110 -20.616 4.114 1.00 22.02 C ATOM 445 NH1 ARG A 32 -2.337 -20.660 5.456 1.00 11.31 N ATOM 446 NH2 ARG A 32 -1.408 -21.614 3.516 1.00 33.32 N ATOM 0 H ARG A 32 -2.044 -14.573 3.933 1.00 52.44 H new ATOM 0 HA ARG A 32 0.174 -16.227 4.298 1.00 23.22 H new ATOM 0 HB2 ARG A 32 -2.120 -16.475 2.305 1.00 52.14 H new ATOM 0 HB3 ARG A 32 -0.985 -17.756 2.686 1.00 52.14 H new ATOM 0 HG2 ARG A 32 -1.731 -17.649 5.098 1.00 74.31 H new ATOM 0 HG3 ARG A 32 -2.919 -16.441 4.651 1.00 74.31 H new ATOM 0 HD2 ARG A 32 -3.916 -18.738 4.815 1.00 45.02 H new ATOM 0 HD3 ARG A 32 -4.103 -18.058 3.211 1.00 45.02 H new ATOM 0 HE ARG A 32 -2.402 -19.581 2.346 1.00 71.42 H new ATOM 0 HH11 ARG A 32 -2.866 -19.914 5.908 1.00 11.31 H new ATOM 0 HH12 ARG A 32 -1.978 -21.439 6.009 1.00 11.31 H new ATOM 0 HH21 ARG A 32 -1.238 -21.586 2.511 1.00 33.32 H new ATOM 0 HH22 ARG A 32 -1.051 -22.391 4.072 1.00 33.32 H new ATOM 460 N HIS A 33 0.118 -14.567 1.430 1.00 23.33 N ATOM 461 CA HIS A 33 0.944 -14.346 0.220 1.00 63.14 C ATOM 462 C HIS A 33 2.239 -13.671 0.614 1.00 31.32 C ATOM 463 O HIS A 33 3.063 -13.368 -0.241 1.00 64.53 O ATOM 464 CB HIS A 33 0.307 -13.398 -0.841 1.00 53.14 C ATOM 465 CG HIS A 33 -0.927 -13.920 -1.524 1.00 25.24 C ATOM 466 ND1 HIS A 33 -1.322 -13.440 -2.745 1.00 0.34 N ATOM 467 CD2 HIS A 33 -1.868 -14.800 -1.114 1.00 65.35 C ATOM 468 CE1 HIS A 33 -2.467 -14.021 -3.072 1.00 73.10 C ATOM 469 NE2 HIS A 33 -2.821 -14.847 -2.093 1.00 5.34 N ATOM 0 H HIS A 33 -0.671 -13.931 1.545 1.00 23.33 H new ATOM 0 HA HIS A 33 1.065 -15.338 -0.215 1.00 63.14 H new ATOM 0 HB2 HIS A 33 0.060 -12.454 -0.356 1.00 53.14 H new ATOM 0 HB3 HIS A 33 1.056 -13.179 -1.602 1.00 53.14 H new ATOM 0 HD2 HIS A 33 -1.867 -15.359 -0.190 1.00 65.35 H new ATOM 0 HE1 HIS A 33 -3.021 -13.851 -3.983 1.00 73.10 H new ATOM 0 HE2 HIS A 33 -3.664 -15.421 -2.075 1.00 5.34 H new ATOM 478 N GLY A 34 2.416 -13.346 1.923 1.00 54.10 N ATOM 479 CA GLY A 34 3.504 -12.457 2.344 1.00 42.20 C ATOM 480 C GLY A 34 3.294 -11.111 1.694 1.00 13.31 C ATOM 481 O GLY A 34 4.222 -10.333 1.531 1.00 44.32 O ATOM 0 H GLY A 34 1.826 -13.685 2.683 1.00 54.10 H new ATOM 0 HA2 GLY A 34 3.514 -12.357 3.429 1.00 42.20 H new ATOM 0 HA3 GLY A 34 4.469 -12.873 2.053 1.00 42.20 H new ATOM 485 N GLY A 35 2.039 -10.855 1.263 1.00 31.41 N ATOM 486 CA GLY A 35 1.717 -9.650 0.556 1.00 41.04 C ATOM 487 C GLY A 35 1.745 -8.534 1.522 1.00 24.02 C ATOM 488 O GLY A 35 1.519 -8.722 2.700 1.00 30.35 O ATOM 0 H GLY A 35 1.249 -11.484 1.405 1.00 31.41 H new ATOM 0 HA2 GLY A 35 2.433 -9.477 -0.248 1.00 41.04 H new ATOM 0 HA3 GLY A 35 0.733 -9.730 0.094 1.00 41.04 H new ATOM 492 N ILE A 36 2.021 -7.346 1.022 1.00 50.22 N ATOM 493 CA ILE A 36 2.054 -6.180 1.837 1.00 22.05 C ATOM 494 C ILE A 36 0.636 -5.649 1.770 1.00 25.32 C ATOM 495 O ILE A 36 0.135 -5.380 0.682 1.00 73.54 O ATOM 496 CB ILE A 36 3.002 -5.130 1.253 1.00 63.23 C ATOM 497 CG1 ILE A 36 4.399 -5.743 0.860 1.00 11.35 C ATOM 498 CG2 ILE A 36 3.086 -3.923 2.202 1.00 23.33 C ATOM 499 CD1 ILE A 36 5.469 -5.780 1.974 1.00 73.42 C ATOM 0 H ILE A 36 2.227 -7.177 0.037 1.00 50.22 H new ATOM 0 HA ILE A 36 2.398 -6.400 2.848 1.00 22.05 H new ATOM 0 HB ILE A 36 2.597 -4.765 0.310 1.00 63.23 H new ATOM 0 HG12 ILE A 36 4.238 -6.761 0.506 1.00 11.35 H new ATOM 0 HG13 ILE A 36 4.799 -5.173 0.021 1.00 11.35 H new ATOM 0 HG21 ILE A 36 3.762 -3.177 1.783 1.00 23.33 H new ATOM 0 HG22 ILE A 36 2.095 -3.487 2.324 1.00 23.33 H new ATOM 0 HG23 ILE A 36 3.461 -4.248 3.172 1.00 23.33 H new ATOM 0 HD11 ILE A 36 6.385 -6.223 1.584 1.00 73.42 H new ATOM 0 HD12 ILE A 36 5.673 -4.765 2.316 1.00 73.42 H new ATOM 0 HD13 ILE A 36 5.104 -6.378 2.809 1.00 73.42 H new ATOM 511 N TYR A 37 -0.054 -5.546 2.908 1.00 12.33 N ATOM 512 CA TYR A 37 -1.437 -5.102 2.891 1.00 14.21 C ATOM 513 C TYR A 37 -1.483 -3.837 3.639 1.00 63.11 C ATOM 514 O TYR A 37 -0.755 -3.657 4.598 1.00 11.32 O ATOM 515 CB TYR A 37 -2.440 -6.060 3.593 1.00 23.32 C ATOM 516 CG TYR A 37 -2.761 -7.195 2.670 1.00 3.04 C ATOM 517 CD1 TYR A 37 -1.831 -8.236 2.448 1.00 71.41 C ATOM 518 CD2 TYR A 37 -4.011 -7.244 2.013 1.00 50.42 C ATOM 519 CE1 TYR A 37 -2.148 -9.305 1.592 1.00 0.34 C ATOM 520 CE2 TYR A 37 -4.330 -8.308 1.163 1.00 54.21 C ATOM 521 CZ TYR A 37 -3.402 -9.348 0.955 1.00 61.55 C ATOM 522 OH TYR A 37 -3.733 -10.437 0.125 1.00 13.42 O ATOM 0 H TYR A 37 0.319 -5.761 3.833 1.00 12.33 H new ATOM 0 HA TYR A 37 -1.734 -5.036 1.844 1.00 14.21 H new ATOM 0 HB2 TYR A 37 -2.011 -6.439 4.521 1.00 23.32 H new ATOM 0 HB3 TYR A 37 -3.350 -5.522 3.859 1.00 23.32 H new ATOM 0 HD1 TYR A 37 -0.870 -8.210 2.940 1.00 71.41 H new ATOM 0 HD2 TYR A 37 -4.728 -6.451 2.169 1.00 50.42 H new ATOM 0 HE1 TYR A 37 -1.429 -10.093 1.423 1.00 0.34 H new ATOM 0 HE2 TYR A 37 -5.288 -8.333 0.666 1.00 54.21 H new ATOM 0 HH TYR A 37 -4.635 -10.311 -0.236 1.00 13.42 H new ATOM 532 N VAL A 38 -2.365 -2.916 3.212 1.00 71.34 N ATOM 533 CA VAL A 38 -2.593 -1.688 3.928 1.00 55.12 C ATOM 534 C VAL A 38 -3.236 -2.054 5.251 1.00 42.14 C ATOM 535 O VAL A 38 -4.153 -2.877 5.309 1.00 14.14 O ATOM 536 CB VAL A 38 -3.475 -0.721 3.160 1.00 4.34 C ATOM 537 CG1 VAL A 38 -3.602 0.601 3.941 1.00 53.03 C ATOM 538 CG2 VAL A 38 -2.850 -0.522 1.758 1.00 21.15 C ATOM 0 H VAL A 38 -2.926 -3.018 2.366 1.00 71.34 H new ATOM 0 HA VAL A 38 -1.643 -1.175 4.075 1.00 55.12 H new ATOM 0 HB VAL A 38 -4.485 -1.112 3.040 1.00 4.34 H new ATOM 0 HG11 VAL A 38 -4.236 1.292 3.386 1.00 53.03 H new ATOM 0 HG12 VAL A 38 -4.046 0.406 4.917 1.00 53.03 H new ATOM 0 HG13 VAL A 38 -2.614 1.042 4.073 1.00 53.03 H new ATOM 0 HG21 VAL A 38 -3.463 0.170 1.181 1.00 21.15 H new ATOM 0 HG22 VAL A 38 -1.844 -0.115 1.862 1.00 21.15 H new ATOM 0 HG23 VAL A 38 -2.802 -1.481 1.242 1.00 21.15 H new ATOM 548 N LYS A 39 -2.684 -1.490 6.345 1.00 34.51 N ATOM 549 CA LYS A 39 -3.014 -1.925 7.677 1.00 23.32 C ATOM 550 C LYS A 39 -3.867 -0.862 8.274 1.00 41.40 C ATOM 551 O LYS A 39 -4.893 -1.139 8.864 1.00 31.25 O ATOM 552 CB LYS A 39 -1.731 -2.059 8.558 1.00 54.10 C ATOM 553 CG LYS A 39 -1.783 -3.118 9.689 1.00 71.14 C ATOM 554 CD LYS A 39 -2.761 -2.861 10.824 1.00 1.14 C ATOM 555 CE LYS A 39 -2.574 -1.514 11.550 1.00 10.20 C ATOM 556 NZ LYS A 39 -1.218 -1.394 12.141 1.00 34.10 N ATOM 0 H LYS A 39 -2.006 -0.729 6.309 1.00 34.51 H new ATOM 0 HA LYS A 39 -3.511 -2.894 7.635 1.00 23.32 H new ATOM 0 HB2 LYS A 39 -0.891 -2.296 7.905 1.00 54.10 H new ATOM 0 HB3 LYS A 39 -1.521 -1.088 9.007 1.00 54.10 H new ATOM 0 HG2 LYS A 39 -2.028 -4.081 9.241 1.00 71.14 H new ATOM 0 HG3 LYS A 39 -0.784 -3.209 10.115 1.00 71.14 H new ATOM 0 HD2 LYS A 39 -3.775 -2.905 10.427 1.00 1.14 H new ATOM 0 HD3 LYS A 39 -2.668 -3.666 11.553 1.00 1.14 H new ATOM 0 HE2 LYS A 39 -2.739 -0.696 10.848 1.00 10.20 H new ATOM 0 HE3 LYS A 39 -3.323 -1.416 12.335 1.00 10.20 H new ATOM 0 HZ1 LYS A 39 -1.129 -0.476 12.621 1.00 34.10 H new ATOM 0 HZ2 LYS A 39 -1.070 -2.160 12.829 1.00 34.10 H new ATOM 0 HZ3 LYS A 39 -0.504 -1.462 11.388 1.00 34.10 H new ATOM 570 N ALA A 40 -3.436 0.400 8.130 1.00 64.51 N ATOM 571 CA ALA A 40 -4.112 1.494 8.781 1.00 22.34 C ATOM 572 C ALA A 40 -4.213 2.553 7.770 1.00 71.13 C ATOM 573 O ALA A 40 -3.259 2.779 7.022 1.00 3.43 O ATOM 574 CB ALA A 40 -3.337 2.092 9.977 1.00 35.40 C ATOM 0 H ALA A 40 -2.628 0.671 7.570 1.00 64.51 H new ATOM 0 HA ALA A 40 -5.062 1.126 9.167 1.00 22.34 H new ATOM 0 HB1 ALA A 40 -3.913 2.909 10.412 1.00 35.40 H new ATOM 0 HB2 ALA A 40 -3.178 1.320 10.730 1.00 35.40 H new ATOM 0 HB3 ALA A 40 -2.373 2.469 9.634 1.00 35.40 H new ATOM 580 N VAL A 41 -5.374 3.218 7.717 1.00 4.24 N ATOM 581 CA VAL A 41 -5.548 4.340 6.858 1.00 21.25 C ATOM 582 C VAL A 41 -6.123 5.414 7.731 1.00 34.52 C ATOM 583 O VAL A 41 -7.142 5.207 8.402 1.00 15.52 O ATOM 584 CB VAL A 41 -6.510 4.087 5.701 1.00 70.24 C ATOM 585 CG1 VAL A 41 -6.493 5.316 4.769 1.00 51.43 C ATOM 586 CG2 VAL A 41 -6.077 2.800 4.983 1.00 11.20 C ATOM 0 H VAL A 41 -6.196 2.978 8.271 1.00 4.24 H new ATOM 0 HA VAL A 41 -4.592 4.594 6.400 1.00 21.25 H new ATOM 0 HB VAL A 41 -7.534 3.949 6.048 1.00 70.24 H new ATOM 0 HG11 VAL A 41 -7.176 5.150 3.936 1.00 51.43 H new ATOM 0 HG12 VAL A 41 -6.807 6.199 5.326 1.00 51.43 H new ATOM 0 HG13 VAL A 41 -5.484 5.468 4.386 1.00 51.43 H new ATOM 0 HG21 VAL A 41 -6.754 2.602 4.152 1.00 11.20 H new ATOM 0 HG22 VAL A 41 -5.062 2.919 4.604 1.00 11.20 H new ATOM 0 HG23 VAL A 41 -6.108 1.965 5.683 1.00 11.20 H new ATOM 596 N ILE A 42 -5.475 6.586 7.737 1.00 62.21 N ATOM 597 CA ILE A 42 -5.960 7.719 8.501 1.00 45.40 C ATOM 598 C ILE A 42 -7.233 8.200 7.811 1.00 33.51 C ATOM 599 O ILE A 42 -7.281 8.290 6.581 1.00 24.01 O ATOM 600 CB ILE A 42 -4.948 8.846 8.553 1.00 41.52 C ATOM 601 CG1 ILE A 42 -3.806 8.432 9.495 1.00 34.20 C ATOM 602 CG2 ILE A 42 -5.629 10.182 8.980 1.00 3.10 C ATOM 603 CD1 ILE A 42 -2.902 9.583 9.853 1.00 1.05 C ATOM 0 H ILE A 42 -4.615 6.764 7.218 1.00 62.21 H new ATOM 0 HA ILE A 42 -6.143 7.416 9.532 1.00 45.40 H new ATOM 0 HB ILE A 42 -4.528 9.027 7.564 1.00 41.52 H new ATOM 0 HG12 ILE A 42 -4.228 8.009 10.407 1.00 34.20 H new ATOM 0 HG13 ILE A 42 -3.217 7.646 9.022 1.00 34.20 H new ATOM 0 HG21 ILE A 42 -4.884 10.977 9.011 1.00 3.10 H new ATOM 0 HG22 ILE A 42 -6.406 10.441 8.261 1.00 3.10 H new ATOM 0 HG23 ILE A 42 -6.074 10.064 9.968 1.00 3.10 H new ATOM 0 HD11 ILE A 42 -2.114 9.233 10.520 1.00 1.05 H new ATOM 0 HD12 ILE A 42 -2.455 9.991 8.946 1.00 1.05 H new ATOM 0 HD13 ILE A 42 -3.482 10.359 10.352 1.00 1.05 H new ATOM 615 N PRO A 43 -8.281 8.528 8.616 1.00 13.55 N ATOM 616 CA PRO A 43 -9.508 9.101 8.098 1.00 62.30 C ATOM 617 C PRO A 43 -9.174 10.413 7.431 1.00 51.25 C ATOM 618 O PRO A 43 -8.672 11.337 8.108 1.00 12.05 O ATOM 619 CB PRO A 43 -10.424 9.280 9.330 1.00 3.11 C ATOM 620 CG PRO A 43 -9.462 9.276 10.537 1.00 54.20 C ATOM 621 CD PRO A 43 -8.316 8.367 10.078 1.00 31.41 C ATOM 0 HA PRO A 43 -10.006 8.483 7.351 1.00 62.30 H new ATOM 0 HB2 PRO A 43 -10.985 10.213 9.274 1.00 3.11 H new ATOM 0 HB3 PRO A 43 -11.153 8.473 9.402 1.00 3.11 H new ATOM 0 HG2 PRO A 43 -9.109 10.280 10.772 1.00 54.20 H new ATOM 0 HG3 PRO A 43 -9.946 8.890 11.434 1.00 54.20 H new ATOM 0 HD2 PRO A 43 -7.370 8.661 10.532 1.00 31.41 H new ATOM 0 HD3 PRO A 43 -8.496 7.329 10.359 1.00 31.41 H new ATOM 629 N GLN A 44 -9.428 10.499 6.110 1.00 5.01 N ATOM 630 CA GLN A 44 -9.115 11.661 5.301 1.00 63.13 C ATOM 631 C GLN A 44 -7.626 11.944 5.271 1.00 2.42 C ATOM 632 O GLN A 44 -7.216 13.073 4.983 1.00 12.53 O ATOM 633 CB GLN A 44 -9.908 12.935 5.655 1.00 22.40 C ATOM 634 CG GLN A 44 -11.422 12.681 5.649 1.00 50.01 C ATOM 635 CD GLN A 44 -12.148 13.989 5.841 1.00 12.32 C ATOM 636 OE1 GLN A 44 -12.899 14.425 4.959 1.00 1.14 O ATOM 637 NE2 GLN A 44 -11.938 14.640 6.988 1.00 43.01 N ATOM 0 H GLN A 44 -9.863 9.743 5.581 1.00 5.01 H new ATOM 0 HA GLN A 44 -9.444 11.385 4.299 1.00 63.13 H new ATOM 0 HB2 GLN A 44 -9.603 13.292 6.639 1.00 22.40 H new ATOM 0 HB3 GLN A 44 -9.668 13.723 4.941 1.00 22.40 H new ATOM 0 HG2 GLN A 44 -11.721 12.221 4.707 1.00 50.01 H new ATOM 0 HG3 GLN A 44 -11.689 11.984 6.444 1.00 50.01 H new ATOM 0 HE21 GLN A 44 -11.311 14.247 7.690 1.00 43.01 H new ATOM 0 HE22 GLN A 44 -12.404 15.530 7.162 1.00 43.01 H new ATOM 646 N GLY A 45 -6.775 10.901 5.489 1.00 63.12 N ATOM 647 CA GLY A 45 -5.375 11.022 5.166 1.00 22.23 C ATOM 648 C GLY A 45 -5.289 10.882 3.672 1.00 54.23 C ATOM 649 O GLY A 45 -6.270 10.514 3.032 1.00 10.23 O ATOM 0 H GLY A 45 -7.051 10.000 5.878 1.00 63.12 H new ATOM 0 HA2 GLY A 45 -4.980 11.984 5.493 1.00 22.23 H new ATOM 0 HA3 GLY A 45 -4.790 10.250 5.666 1.00 22.23 H new ATOM 653 N ALA A 46 -4.106 11.190 3.085 1.00 12.03 N ATOM 654 CA ALA A 46 -3.930 11.271 1.623 1.00 2.25 C ATOM 655 C ALA A 46 -4.465 10.031 0.920 1.00 44.33 C ATOM 656 O ALA A 46 -5.063 10.134 -0.156 1.00 54.15 O ATOM 657 CB ALA A 46 -2.448 11.447 1.210 1.00 41.42 C ATOM 0 H ALA A 46 -3.255 11.387 3.612 1.00 12.03 H new ATOM 0 HA ALA A 46 -4.496 12.151 1.317 1.00 2.25 H new ATOM 0 HB1 ALA A 46 -2.377 11.501 0.124 1.00 41.42 H new ATOM 0 HB2 ALA A 46 -2.056 12.366 1.645 1.00 41.42 H new ATOM 0 HB3 ALA A 46 -1.867 10.598 1.570 1.00 41.42 H new ATOM 663 N ALA A 47 -4.258 8.831 1.514 1.00 35.51 N ATOM 664 CA ALA A 47 -4.697 7.582 0.876 1.00 20.05 C ATOM 665 C ALA A 47 -6.208 7.566 0.801 1.00 3.54 C ATOM 666 O ALA A 47 -6.781 7.317 -0.253 1.00 62.22 O ATOM 667 CB ALA A 47 -4.264 6.331 1.662 1.00 21.43 C ATOM 0 H ALA A 47 -3.798 8.709 2.416 1.00 35.51 H new ATOM 0 HA ALA A 47 -4.235 7.553 -0.111 1.00 20.05 H new ATOM 0 HB1 ALA A 47 -4.615 5.437 1.146 1.00 21.43 H new ATOM 0 HB2 ALA A 47 -3.177 6.305 1.734 1.00 21.43 H new ATOM 0 HB3 ALA A 47 -4.694 6.364 2.663 1.00 21.43 H new ATOM 673 N GLU A 48 -6.870 7.844 1.934 1.00 53.34 N ATOM 674 CA GLU A 48 -8.324 7.794 2.008 1.00 21.12 C ATOM 675 C GLU A 48 -8.922 8.894 1.152 1.00 23.41 C ATOM 676 O GLU A 48 -9.981 8.716 0.542 1.00 74.33 O ATOM 677 CB GLU A 48 -8.872 7.914 3.440 1.00 30.02 C ATOM 678 CG GLU A 48 -10.382 7.687 3.510 1.00 11.14 C ATOM 679 CD GLU A 48 -10.783 7.563 4.948 1.00 22.12 C ATOM 680 OE1 GLU A 48 -10.383 6.572 5.594 1.00 1.32 O ATOM 681 OE2 GLU A 48 -11.507 8.460 5.449 1.00 14.12 O ATOM 0 H GLU A 48 -6.414 8.105 2.808 1.00 53.34 H new ATOM 0 HA GLU A 48 -8.614 6.811 1.637 1.00 21.12 H new ATOM 0 HB2 GLU A 48 -8.369 7.189 4.080 1.00 30.02 H new ATOM 0 HB3 GLU A 48 -8.638 8.903 3.833 1.00 30.02 H new ATOM 0 HG2 GLU A 48 -10.911 8.516 3.040 1.00 11.14 H new ATOM 0 HG3 GLU A 48 -10.654 6.785 2.963 1.00 11.14 H new ATOM 688 N SER A 49 -8.248 10.057 1.077 1.00 61.33 N ATOM 689 CA SER A 49 -8.717 11.162 0.252 1.00 72.24 C ATOM 690 C SER A 49 -8.689 10.732 -1.198 1.00 22.13 C ATOM 691 O SER A 49 -9.513 11.164 -2.005 1.00 32.40 O ATOM 692 CB SER A 49 -7.812 12.392 0.384 1.00 11.52 C ATOM 693 OG SER A 49 -7.774 12.815 1.744 1.00 10.15 O ATOM 0 H SER A 49 -7.381 10.246 1.580 1.00 61.33 H new ATOM 0 HA SER A 49 -9.723 11.422 0.583 1.00 72.24 H new ATOM 0 HB2 SER A 49 -6.806 12.154 0.039 1.00 11.52 H new ATOM 0 HB3 SER A 49 -8.184 13.199 -0.248 1.00 11.52 H new ATOM 0 HG SER A 49 -7.285 12.155 2.278 1.00 10.15 H new ATOM 699 N ASP A 50 -7.724 9.857 -1.548 1.00 43.25 N ATOM 700 CA ASP A 50 -7.590 9.378 -2.918 1.00 31.52 C ATOM 701 C ASP A 50 -8.767 8.477 -3.205 1.00 23.40 C ATOM 702 O ASP A 50 -9.402 8.560 -4.252 1.00 64.43 O ATOM 703 CB ASP A 50 -6.295 8.557 -3.148 1.00 15.11 C ATOM 704 CG ASP A 50 -5.971 8.589 -4.621 1.00 60.45 C ATOM 705 OD1 ASP A 50 -5.629 9.694 -5.127 1.00 73.34 O ATOM 706 OD2 ASP A 50 -6.053 7.542 -5.279 1.00 53.31 O ATOM 0 H ASP A 50 -7.036 9.476 -0.898 1.00 43.25 H new ATOM 0 HA ASP A 50 -7.550 10.248 -3.574 1.00 31.52 H new ATOM 0 HB2 ASP A 50 -5.472 8.975 -2.569 1.00 15.11 H new ATOM 0 HB3 ASP A 50 -6.432 7.529 -2.811 1.00 15.11 H new ATOM 711 N GLY A 51 -9.108 7.624 -2.224 1.00 63.22 N ATOM 712 CA GLY A 51 -10.287 6.771 -2.326 1.00 51.24 C ATOM 713 C GLY A 51 -9.924 5.463 -2.965 1.00 54.22 C ATOM 714 O GLY A 51 -10.643 4.481 -2.823 1.00 11.13 O ATOM 0 H GLY A 51 -8.581 7.513 -1.358 1.00 63.22 H new ATOM 0 HA2 GLY A 51 -10.706 6.596 -1.335 1.00 51.24 H new ATOM 0 HA3 GLY A 51 -11.057 7.271 -2.914 1.00 51.24 H new ATOM 718 N ARG A 52 -8.800 5.413 -3.700 1.00 24.20 N ATOM 719 CA ARG A 52 -8.439 4.188 -4.383 1.00 24.04 C ATOM 720 C ARG A 52 -7.844 3.250 -3.372 1.00 61.34 C ATOM 721 O ARG A 52 -8.139 2.057 -3.382 1.00 33.35 O ATOM 722 CB ARG A 52 -7.437 4.380 -5.548 1.00 24.23 C ATOM 723 CG ARG A 52 -8.062 5.133 -6.729 1.00 22.21 C ATOM 724 CD ARG A 52 -7.183 5.159 -7.993 1.00 12.15 C ATOM 725 NE ARG A 52 -8.016 5.725 -9.121 1.00 51.32 N ATOM 726 CZ ARG A 52 -7.799 6.994 -9.645 1.00 43.10 C ATOM 727 NH1 ARG A 52 -6.772 7.774 -9.191 1.00 12.23 N ATOM 728 NH2 ARG A 52 -8.625 7.469 -10.620 1.00 41.04 N ATOM 0 H ARG A 52 -8.151 6.190 -3.827 1.00 24.20 H new ATOM 0 HA ARG A 52 -9.349 3.792 -4.833 1.00 24.04 H new ATOM 0 HB2 ARG A 52 -6.566 4.928 -5.189 1.00 24.23 H new ATOM 0 HB3 ARG A 52 -7.084 3.406 -5.886 1.00 24.23 H new ATOM 0 HG2 ARG A 52 -9.019 4.673 -6.974 1.00 22.21 H new ATOM 0 HG3 ARG A 52 -8.271 6.158 -6.423 1.00 22.21 H new ATOM 0 HD2 ARG A 52 -6.296 5.770 -7.829 1.00 12.15 H new ATOM 0 HD3 ARG A 52 -6.838 4.155 -8.239 1.00 12.15 H new ATOM 0 HE ARG A 52 -8.765 5.154 -9.512 1.00 51.32 H new ATOM 0 HH11 ARG A 52 -6.153 7.427 -8.458 1.00 12.23 H new ATOM 0 HH12 ARG A 52 -6.625 8.703 -9.585 1.00 12.23 H new ATOM 0 HH21 ARG A 52 -9.396 6.894 -10.960 1.00 41.04 H new ATOM 0 HH22 ARG A 52 -8.472 8.399 -11.009 1.00 41.04 H new ATOM 742 N ILE A 53 -7.006 3.781 -2.466 1.00 22.41 N ATOM 743 CA ILE A 53 -6.340 2.944 -1.498 1.00 64.13 C ATOM 744 C ILE A 53 -7.172 2.994 -0.241 1.00 22.33 C ATOM 745 O ILE A 53 -7.619 4.072 0.185 1.00 24.33 O ATOM 746 CB ILE A 53 -4.925 3.419 -1.183 1.00 53.13 C ATOM 747 CG1 ILE A 53 -4.149 3.627 -2.500 1.00 52.14 C ATOM 748 CG2 ILE A 53 -4.243 2.398 -0.235 1.00 14.33 C ATOM 749 CD1 ILE A 53 -2.701 4.055 -2.300 1.00 14.34 C ATOM 0 H ILE A 53 -6.786 4.775 -2.397 1.00 22.41 H new ATOM 0 HA ILE A 53 -6.246 1.935 -1.900 1.00 64.13 H new ATOM 0 HB ILE A 53 -4.942 4.379 -0.667 1.00 53.13 H new ATOM 0 HG12 ILE A 53 -4.168 2.700 -3.072 1.00 52.14 H new ATOM 0 HG13 ILE A 53 -4.662 4.381 -3.098 1.00 52.14 H new ATOM 0 HG21 ILE A 53 -3.231 2.733 -0.007 1.00 14.33 H new ATOM 0 HG22 ILE A 53 -4.816 2.320 0.689 1.00 14.33 H new ATOM 0 HG23 ILE A 53 -4.202 1.423 -0.720 1.00 14.33 H new ATOM 0 HD11 ILE A 53 -2.221 4.181 -3.271 1.00 14.34 H new ATOM 0 HD12 ILE A 53 -2.672 4.999 -1.756 1.00 14.34 H new ATOM 0 HD13 ILE A 53 -2.171 3.292 -1.730 1.00 14.34 H new ATOM 761 N HIS A 54 -7.418 1.829 0.358 1.00 51.34 N ATOM 762 CA HIS A 54 -8.164 1.749 1.575 1.00 33.21 C ATOM 763 C HIS A 54 -7.589 0.594 2.335 1.00 63.31 C ATOM 764 O HIS A 54 -6.640 -0.047 1.893 1.00 13.53 O ATOM 765 CB HIS A 54 -9.671 1.490 1.340 1.00 74.23 C ATOM 766 CG HIS A 54 -9.947 0.356 0.394 1.00 13.22 C ATOM 767 ND1 HIS A 54 -10.121 -0.932 0.810 1.00 4.30 N ATOM 768 CD2 HIS A 54 -10.064 0.361 -0.945 1.00 33.33 C ATOM 769 CE1 HIS A 54 -10.359 -1.680 -0.250 1.00 1.43 C ATOM 770 NE2 HIS A 54 -10.326 -0.914 -1.327 1.00 40.44 N ATOM 0 H HIS A 54 -7.100 0.928 0.001 1.00 51.34 H new ATOM 0 HA HIS A 54 -8.091 2.697 2.107 1.00 33.21 H new ATOM 0 HB2 HIS A 54 -10.148 1.278 2.297 1.00 74.23 H new ATOM 0 HB3 HIS A 54 -10.130 2.398 0.949 1.00 74.23 H new ATOM 0 HD1 HIS A 54 -10.075 -1.260 1.775 1.00 4.30 H new ATOM 0 HD2 HIS A 54 -9.968 1.219 -1.594 1.00 33.33 H new ATOM 0 HE1 HIS A 54 -10.549 -2.743 -0.240 1.00 1.43 H new ATOM 779 N LYS A 55 -8.141 0.319 3.541 1.00 31.34 N ATOM 780 CA LYS A 55 -7.701 -0.812 4.343 1.00 53.33 C ATOM 781 C LYS A 55 -8.096 -2.058 3.592 1.00 5.31 C ATOM 782 O LYS A 55 -9.201 -2.121 3.046 1.00 20.05 O ATOM 783 CB LYS A 55 -8.396 -0.849 5.737 1.00 1.54 C ATOM 784 CG LYS A 55 -7.959 -2.016 6.651 1.00 13.01 C ATOM 785 CD LYS A 55 -8.866 -2.203 7.883 1.00 33.15 C ATOM 786 CE LYS A 55 -8.854 -1.034 8.887 1.00 42.14 C ATOM 787 NZ LYS A 55 -7.518 -0.872 9.496 1.00 60.20 N ATOM 0 H LYS A 55 -8.887 0.871 3.965 1.00 31.34 H new ATOM 0 HA LYS A 55 -6.626 -0.735 4.508 1.00 53.33 H new ATOM 0 HB2 LYS A 55 -8.196 0.091 6.252 1.00 1.54 H new ATOM 0 HB3 LYS A 55 -9.474 -0.908 5.588 1.00 1.54 H new ATOM 0 HG2 LYS A 55 -7.952 -2.939 6.071 1.00 13.01 H new ATOM 0 HG3 LYS A 55 -6.936 -1.842 6.985 1.00 13.01 H new ATOM 0 HD2 LYS A 55 -9.889 -2.358 7.541 1.00 33.15 H new ATOM 0 HD3 LYS A 55 -8.563 -3.112 8.403 1.00 33.15 H new ATOM 0 HE2 LYS A 55 -9.141 -0.112 8.381 1.00 42.14 H new ATOM 0 HE3 LYS A 55 -9.594 -1.213 9.667 1.00 42.14 H new ATOM 0 HZ1 LYS A 55 -7.430 0.086 9.890 1.00 60.20 H new ATOM 0 HZ2 LYS A 55 -7.396 -1.571 10.256 1.00 60.20 H new ATOM 0 HZ3 LYS A 55 -6.786 -1.017 8.771 1.00 60.20 H new ATOM 801 N GLY A 56 -7.219 -3.080 3.549 1.00 15.24 N ATOM 802 CA GLY A 56 -7.573 -4.323 2.891 1.00 31.21 C ATOM 803 C GLY A 56 -6.863 -4.383 1.573 1.00 13.04 C ATOM 804 O GLY A 56 -6.805 -5.443 0.945 1.00 71.40 O ATOM 0 H GLY A 56 -6.284 -3.059 3.956 1.00 15.24 H new ATOM 0 HA2 GLY A 56 -7.292 -5.174 3.512 1.00 31.21 H new ATOM 0 HA3 GLY A 56 -8.651 -4.379 2.743 1.00 31.21 H new ATOM 808 N ASP A 57 -6.310 -3.234 1.109 1.00 73.35 N ATOM 809 CA ASP A 57 -5.625 -3.181 -0.185 1.00 43.45 C ATOM 810 C ASP A 57 -4.337 -3.906 -0.072 1.00 64.52 C ATOM 811 O ASP A 57 -3.746 -3.973 1.000 1.00 64.30 O ATOM 812 CB ASP A 57 -5.304 -1.742 -0.671 1.00 43.31 C ATOM 813 CG ASP A 57 -6.417 -1.278 -1.567 1.00 14.12 C ATOM 814 OD1 ASP A 57 -6.574 -1.864 -2.649 1.00 14.42 O ATOM 815 OD2 ASP A 57 -7.129 -0.343 -1.197 1.00 63.04 O ATOM 0 H ASP A 57 -6.330 -2.347 1.613 1.00 73.35 H new ATOM 0 HA ASP A 57 -6.305 -3.630 -0.908 1.00 43.45 H new ATOM 0 HB2 ASP A 57 -5.199 -1.070 0.181 1.00 43.31 H new ATOM 0 HB3 ASP A 57 -4.355 -1.727 -1.208 1.00 43.31 H new ATOM 820 N ARG A 58 -3.877 -4.479 -1.210 1.00 71.42 N ATOM 821 CA ARG A 58 -2.639 -5.211 -1.251 1.00 23.34 C ATOM 822 C ARG A 58 -1.730 -4.399 -2.113 1.00 71.13 C ATOM 823 O ARG A 58 -2.088 -4.062 -3.239 1.00 70.24 O ATOM 824 CB ARG A 58 -2.777 -6.605 -1.928 1.00 5.14 C ATOM 825 CG ARG A 58 -1.509 -7.482 -1.824 1.00 63.04 C ATOM 826 CD ARG A 58 -1.513 -8.685 -2.787 1.00 53.32 C ATOM 827 NE ARG A 58 -2.835 -9.416 -2.640 1.00 51.11 N ATOM 828 CZ ARG A 58 -3.509 -9.922 -3.751 1.00 75.13 C ATOM 829 NH1 ARG A 58 -2.938 -9.870 -4.981 1.00 53.34 N ATOM 830 NH2 ARG A 58 -4.744 -10.473 -3.614 1.00 71.33 N ATOM 0 H ARG A 58 -4.366 -4.434 -2.104 1.00 71.42 H new ATOM 0 HA ARG A 58 -2.287 -5.373 -0.232 1.00 23.34 H new ATOM 0 HB2 ARG A 58 -3.613 -7.137 -1.474 1.00 5.14 H new ATOM 0 HB3 ARG A 58 -3.023 -6.464 -2.980 1.00 5.14 H new ATOM 0 HG2 ARG A 58 -0.633 -6.866 -2.028 1.00 63.04 H new ATOM 0 HG3 ARG A 58 -1.411 -7.846 -0.801 1.00 63.04 H new ATOM 0 HD2 ARG A 58 -1.379 -8.348 -3.815 1.00 53.32 H new ATOM 0 HD3 ARG A 58 -0.683 -9.354 -2.560 1.00 53.32 H new ATOM 0 HE ARG A 58 -3.238 -9.539 -1.711 1.00 51.11 H new ATOM 0 HH11 ARG A 58 -2.011 -9.459 -5.096 1.00 53.34 H new ATOM 0 HH12 ARG A 58 -3.435 -10.242 -5.790 1.00 53.34 H new ATOM 0 HH21 ARG A 58 -5.183 -10.518 -2.694 1.00 71.33 H new ATOM 0 HH22 ARG A 58 -5.232 -10.841 -4.431 1.00 71.33 H new ATOM 844 N VAL A 59 -0.539 -4.077 -1.611 1.00 22.20 N ATOM 845 CA VAL A 59 0.424 -3.339 -2.370 1.00 72.30 C ATOM 846 C VAL A 59 1.448 -4.362 -2.778 1.00 24.45 C ATOM 847 O VAL A 59 1.757 -5.276 -2.011 1.00 71.12 O ATOM 848 CB VAL A 59 1.113 -2.241 -1.551 1.00 0.51 C ATOM 849 CG1 VAL A 59 2.024 -1.391 -2.477 1.00 45.12 C ATOM 850 CG2 VAL A 59 0.015 -1.398 -0.858 1.00 41.41 C ATOM 0 H VAL A 59 -0.232 -4.326 -0.671 1.00 22.20 H new ATOM 0 HA VAL A 59 -0.058 -2.833 -3.206 1.00 72.30 H new ATOM 0 HB VAL A 59 1.758 -2.665 -0.781 1.00 0.51 H new ATOM 0 HG11 VAL A 59 2.512 -0.612 -1.892 1.00 45.12 H new ATOM 0 HG12 VAL A 59 2.780 -2.031 -2.931 1.00 45.12 H new ATOM 0 HG13 VAL A 59 1.420 -0.932 -3.260 1.00 45.12 H new ATOM 0 HG21 VAL A 59 0.481 -0.609 -0.268 1.00 41.41 H new ATOM 0 HG22 VAL A 59 -0.633 -0.953 -1.613 1.00 41.41 H new ATOM 0 HG23 VAL A 59 -0.577 -2.038 -0.204 1.00 41.41 H new ATOM 860 N LEU A 60 1.977 -4.252 -4.000 1.00 41.13 N ATOM 861 CA LEU A 60 3.015 -5.162 -4.430 1.00 74.13 C ATOM 862 C LEU A 60 4.246 -4.357 -4.653 1.00 40.34 C ATOM 863 O LEU A 60 5.325 -4.716 -4.166 1.00 64.31 O ATOM 864 CB LEU A 60 2.706 -5.994 -5.706 1.00 32.45 C ATOM 865 CG LEU A 60 1.882 -5.296 -6.794 1.00 21.41 C ATOM 866 CD1 LEU A 60 2.195 -5.855 -8.173 1.00 32.12 C ATOM 867 CD2 LEU A 60 0.386 -5.363 -6.509 1.00 75.33 C ATOM 0 H LEU A 60 1.703 -3.552 -4.690 1.00 41.13 H new ATOM 0 HA LEU A 60 3.120 -5.906 -3.641 1.00 74.13 H new ATOM 0 HB2 LEU A 60 3.652 -6.310 -6.145 1.00 32.45 H new ATOM 0 HB3 LEU A 60 2.177 -6.898 -5.404 1.00 32.45 H new ATOM 0 HG LEU A 60 2.171 -4.245 -6.782 1.00 21.41 H new ATOM 0 HD11 LEU A 60 1.593 -5.338 -8.920 1.00 32.12 H new ATOM 0 HD12 LEU A 60 3.252 -5.709 -8.394 1.00 32.12 H new ATOM 0 HD13 LEU A 60 1.964 -6.920 -8.195 1.00 32.12 H new ATOM 0 HD21 LEU A 60 -0.159 -4.856 -7.305 1.00 75.33 H new ATOM 0 HD22 LEU A 60 0.071 -6.405 -6.460 1.00 75.33 H new ATOM 0 HD23 LEU A 60 0.175 -4.875 -5.557 1.00 75.33 H new ATOM 879 N ALA A 61 4.122 -3.238 -5.382 1.00 32.44 N ATOM 880 CA ALA A 61 5.301 -2.485 -5.723 1.00 72.44 C ATOM 881 C ALA A 61 5.099 -1.055 -5.384 1.00 42.20 C ATOM 882 O ALA A 61 3.986 -0.587 -5.138 1.00 55.24 O ATOM 883 CB ALA A 61 5.690 -2.560 -7.217 1.00 41.42 C ATOM 0 H ALA A 61 3.242 -2.858 -5.729 1.00 32.44 H new ATOM 0 HA ALA A 61 6.109 -2.936 -5.147 1.00 72.44 H new ATOM 0 HB1 ALA A 61 6.588 -1.966 -7.389 1.00 41.42 H new ATOM 0 HB2 ALA A 61 5.883 -3.597 -7.491 1.00 41.42 H new ATOM 0 HB3 ALA A 61 4.874 -2.169 -7.825 1.00 41.42 H new ATOM 889 N VAL A 62 6.236 -0.360 -5.352 1.00 72.35 N ATOM 890 CA VAL A 62 6.314 1.027 -5.019 1.00 24.22 C ATOM 891 C VAL A 62 7.338 1.570 -5.947 1.00 45.14 C ATOM 892 O VAL A 62 8.503 1.267 -5.817 1.00 1.11 O ATOM 893 CB VAL A 62 6.773 1.289 -3.584 1.00 62.21 C ATOM 894 CG1 VAL A 62 6.903 2.816 -3.348 1.00 42.03 C ATOM 895 CG2 VAL A 62 5.762 0.620 -2.638 1.00 10.51 C ATOM 0 H VAL A 62 7.143 -0.775 -5.566 1.00 72.35 H new ATOM 0 HA VAL A 62 5.328 1.484 -5.104 1.00 24.22 H new ATOM 0 HB VAL A 62 7.757 0.863 -3.391 1.00 62.21 H new ATOM 0 HG11 VAL A 62 7.230 2.999 -2.325 1.00 42.03 H new ATOM 0 HG12 VAL A 62 7.634 3.231 -4.042 1.00 42.03 H new ATOM 0 HG13 VAL A 62 5.937 3.293 -3.511 1.00 42.03 H new ATOM 0 HG21 VAL A 62 6.063 0.790 -1.604 1.00 10.51 H new ATOM 0 HG22 VAL A 62 4.773 1.047 -2.802 1.00 10.51 H new ATOM 0 HG23 VAL A 62 5.733 -0.451 -2.836 1.00 10.51 H new ATOM 905 N ASN A 63 6.897 2.373 -6.924 1.00 10.20 N ATOM 906 CA ASN A 63 7.769 2.972 -7.950 1.00 63.22 C ATOM 907 C ASN A 63 8.692 1.914 -8.556 1.00 15.33 C ATOM 908 O ASN A 63 9.885 2.149 -8.784 1.00 23.00 O ATOM 909 CB ASN A 63 8.604 4.188 -7.436 1.00 11.42 C ATOM 910 CG ASN A 63 9.157 4.965 -8.640 1.00 22.32 C ATOM 911 OD1 ASN A 63 8.401 5.390 -9.515 1.00 20.12 O ATOM 912 ND2 ASN A 63 10.483 5.161 -8.696 1.00 32.51 N ATOM 0 H ASN A 63 5.915 2.629 -7.028 1.00 10.20 H new ATOM 0 HA ASN A 63 7.102 3.363 -8.718 1.00 63.22 H new ATOM 0 HB2 ASN A 63 7.981 4.839 -6.823 1.00 11.42 H new ATOM 0 HB3 ASN A 63 9.422 3.842 -6.804 1.00 11.42 H new ATOM 0 HD21 ASN A 63 10.890 5.674 -9.478 1.00 32.51 H new ATOM 0 HD22 ASN A 63 11.084 4.797 -7.957 1.00 32.51 H new ATOM 919 N GLY A 64 8.140 0.718 -8.829 1.00 54.30 N ATOM 920 CA GLY A 64 8.886 -0.316 -9.519 1.00 70.31 C ATOM 921 C GLY A 64 9.745 -1.089 -8.551 1.00 25.13 C ATOM 922 O GLY A 64 10.575 -1.881 -8.975 1.00 32.43 O ATOM 0 H GLY A 64 7.186 0.458 -8.579 1.00 54.30 H new ATOM 0 HA2 GLY A 64 8.197 -0.994 -10.023 1.00 70.31 H new ATOM 0 HA3 GLY A 64 9.512 0.133 -10.290 1.00 70.31 H new ATOM 926 N VAL A 65 9.570 -0.893 -7.223 1.00 12.42 N ATOM 927 CA VAL A 65 10.368 -1.610 -6.270 1.00 45.23 C ATOM 928 C VAL A 65 9.473 -2.665 -5.749 1.00 42.13 C ATOM 929 O VAL A 65 8.430 -2.365 -5.173 1.00 52.51 O ATOM 930 CB VAL A 65 10.848 -0.755 -5.092 1.00 2.14 C ATOM 931 CG1 VAL A 65 11.712 -1.625 -4.142 1.00 3.31 C ATOM 932 CG2 VAL A 65 11.617 0.454 -5.657 1.00 73.14 C ATOM 0 H VAL A 65 8.889 -0.251 -6.818 1.00 12.42 H new ATOM 0 HA VAL A 65 11.272 -1.976 -6.757 1.00 45.23 H new ATOM 0 HB VAL A 65 10.011 -0.379 -4.503 1.00 2.14 H new ATOM 0 HG11 VAL A 65 12.054 -1.018 -3.304 1.00 3.31 H new ATOM 0 HG12 VAL A 65 11.116 -2.457 -3.768 1.00 3.31 H new ATOM 0 HG13 VAL A 65 12.574 -2.012 -4.686 1.00 3.31 H new ATOM 0 HG21 VAL A 65 11.969 1.078 -4.835 1.00 73.14 H new ATOM 0 HG22 VAL A 65 12.470 0.103 -6.237 1.00 73.14 H new ATOM 0 HG23 VAL A 65 10.957 1.038 -6.299 1.00 73.14 H new ATOM 942 N SER A 66 9.842 -3.930 -5.964 1.00 22.14 N ATOM 943 CA SER A 66 9.077 -5.014 -5.420 1.00 23.32 C ATOM 944 C SER A 66 9.307 -5.023 -3.940 1.00 61.25 C ATOM 945 O SER A 66 10.411 -5.268 -3.462 1.00 72.21 O ATOM 946 CB SER A 66 9.456 -6.395 -5.997 1.00 11.40 C ATOM 947 OG SER A 66 9.383 -6.366 -7.437 1.00 4.22 O ATOM 0 H SER A 66 10.659 -4.210 -6.507 1.00 22.14 H new ATOM 0 HA SER A 66 8.032 -4.852 -5.683 1.00 23.32 H new ATOM 0 HB2 SER A 66 10.464 -6.666 -5.681 1.00 11.40 H new ATOM 0 HB3 SER A 66 8.783 -7.158 -5.606 1.00 11.40 H new ATOM 0 HG SER A 66 9.627 -7.245 -7.795 1.00 4.22 H new ATOM 953 N LEU A 67 8.241 -4.719 -3.197 1.00 55.22 N ATOM 954 CA LEU A 67 8.287 -4.689 -1.745 1.00 24.43 C ATOM 955 C LEU A 67 8.414 -6.096 -1.213 1.00 74.42 C ATOM 956 O LEU A 67 8.852 -6.288 -0.096 1.00 62.34 O ATOM 957 CB LEU A 67 6.999 -4.128 -1.125 1.00 71.25 C ATOM 958 CG LEU A 67 6.735 -2.649 -1.330 1.00 34.12 C ATOM 959 CD1 LEU A 67 5.466 -2.205 -0.567 1.00 63.43 C ATOM 960 CD2 LEU A 67 7.938 -1.807 -0.976 1.00 73.43 C ATOM 0 H LEU A 67 7.328 -4.488 -3.589 1.00 55.22 H new ATOM 0 HA LEU A 67 9.135 -4.056 -1.483 1.00 24.43 H new ATOM 0 HB2 LEU A 67 6.155 -4.684 -1.532 1.00 71.25 H new ATOM 0 HB3 LEU A 67 7.023 -4.324 -0.053 1.00 71.25 H new ATOM 0 HG LEU A 67 6.551 -2.488 -2.392 1.00 34.12 H new ATOM 0 HD11 LEU A 67 5.298 -1.140 -0.729 1.00 63.43 H new ATOM 0 HD12 LEU A 67 4.607 -2.768 -0.931 1.00 63.43 H new ATOM 0 HD13 LEU A 67 5.598 -2.393 0.499 1.00 63.43 H new ATOM 0 HD21 LEU A 67 7.706 -0.754 -1.137 1.00 73.43 H new ATOM 0 HD22 LEU A 67 8.197 -1.965 0.071 1.00 73.43 H new ATOM 0 HD23 LEU A 67 8.780 -2.093 -1.606 1.00 73.43 H new ATOM 972 N GLU A 68 7.994 -7.110 -2.005 1.00 53.43 N ATOM 973 CA GLU A 68 7.964 -8.496 -1.532 1.00 2.45 C ATOM 974 C GLU A 68 9.333 -8.920 -1.027 1.00 23.24 C ATOM 975 O GLU A 68 10.366 -8.473 -1.519 1.00 25.44 O ATOM 976 CB GLU A 68 7.468 -9.523 -2.569 1.00 61.50 C ATOM 977 CG GLU A 68 6.034 -9.246 -3.050 1.00 53.04 C ATOM 978 CD GLU A 68 5.604 -10.396 -3.929 1.00 74.40 C ATOM 979 OE1 GLU A 68 6.258 -10.631 -4.963 1.00 34.32 O ATOM 980 OE2 GLU A 68 4.610 -11.071 -3.587 1.00 32.21 O ATOM 0 H GLU A 68 7.675 -6.987 -2.966 1.00 53.43 H new ATOM 0 HA GLU A 68 7.233 -8.497 -0.723 1.00 2.45 H new ATOM 0 HB2 GLU A 68 8.140 -9.519 -3.427 1.00 61.50 H new ATOM 0 HB3 GLU A 68 7.513 -10.521 -2.134 1.00 61.50 H new ATOM 0 HG2 GLU A 68 5.360 -9.144 -2.199 1.00 53.04 H new ATOM 0 HG3 GLU A 68 5.993 -8.308 -3.603 1.00 53.04 H new ATOM 987 N GLY A 69 9.331 -9.759 0.022 1.00 30.11 N ATOM 988 CA GLY A 69 10.557 -10.199 0.661 1.00 3.42 C ATOM 989 C GLY A 69 10.862 -9.303 1.819 1.00 4.30 C ATOM 990 O GLY A 69 11.453 -9.739 2.819 1.00 70.43 O ATOM 0 H GLY A 69 8.482 -10.142 0.439 1.00 30.11 H new ATOM 0 HA2 GLY A 69 10.453 -11.229 1.001 1.00 3.42 H new ATOM 0 HA3 GLY A 69 11.380 -10.181 -0.054 1.00 3.42 H new ATOM 994 N ALA A 70 10.511 -8.010 1.705 1.00 1.35 N ATOM 995 CA ALA A 70 10.838 -7.058 2.740 1.00 21.14 C ATOM 996 C ALA A 70 9.989 -7.341 3.955 1.00 55.44 C ATOM 997 O ALA A 70 9.002 -8.053 3.891 1.00 11.03 O ATOM 998 CB ALA A 70 10.615 -5.594 2.321 1.00 44.12 C ATOM 0 H ALA A 70 10.007 -7.619 0.909 1.00 1.35 H new ATOM 0 HA ALA A 70 11.901 -7.177 2.949 1.00 21.14 H new ATOM 0 HB1 ALA A 70 10.881 -4.935 3.147 1.00 44.12 H new ATOM 0 HB2 ALA A 70 11.239 -5.364 1.457 1.00 44.12 H new ATOM 0 HB3 ALA A 70 9.567 -5.446 2.061 1.00 44.12 H new ATOM 1004 N THR A 71 10.409 -6.802 5.099 1.00 45.14 N ATOM 1005 CA THR A 71 9.704 -7.008 6.336 1.00 30.41 C ATOM 1006 C THR A 71 8.526 -6.050 6.365 1.00 43.41 C ATOM 1007 O THR A 71 8.444 -5.117 5.564 1.00 61.44 O ATOM 1008 CB THR A 71 10.602 -6.759 7.542 1.00 32.15 C ATOM 1009 OG1 THR A 71 11.269 -5.507 7.393 1.00 25.42 O ATOM 1010 CG2 THR A 71 11.659 -7.883 7.585 1.00 53.54 C ATOM 0 H THR A 71 11.241 -6.218 5.181 1.00 45.14 H new ATOM 0 HA THR A 71 9.369 -8.044 6.391 1.00 30.41 H new ATOM 0 HB THR A 71 10.009 -6.744 8.456 1.00 32.15 H new ATOM 0 HG1 THR A 71 11.844 -5.348 8.170 1.00 25.42 H new ATOM 0 HG21 THR A 71 12.318 -7.731 8.440 1.00 53.54 H new ATOM 0 HG22 THR A 71 11.161 -8.848 7.678 1.00 53.54 H new ATOM 0 HG23 THR A 71 12.246 -7.865 6.667 1.00 53.54 H new ATOM 1018 N HIS A 72 7.588 -6.271 7.323 1.00 71.10 N ATOM 1019 CA HIS A 72 6.455 -5.376 7.489 1.00 44.04 C ATOM 1020 C HIS A 72 7.018 -4.046 7.914 1.00 41.45 C ATOM 1021 O HIS A 72 6.588 -3.012 7.460 1.00 70.23 O ATOM 1022 CB HIS A 72 5.408 -5.852 8.544 1.00 50.01 C ATOM 1023 CG HIS A 72 5.921 -5.911 9.968 1.00 62.41 C ATOM 1024 ND1 HIS A 72 5.873 -4.839 10.832 1.00 62.32 N ATOM 1025 CD2 HIS A 72 6.528 -6.911 10.624 1.00 1.24 C ATOM 1026 CE1 HIS A 72 6.443 -5.201 11.973 1.00 21.12 C ATOM 1027 NE2 HIS A 72 6.853 -6.449 11.860 1.00 15.23 N ATOM 0 H HIS A 72 7.609 -7.055 7.975 1.00 71.10 H new ATOM 0 HA HIS A 72 5.914 -5.334 6.543 1.00 44.04 H new ATOM 0 HB2 HIS A 72 4.549 -5.182 8.510 1.00 50.01 H new ATOM 0 HB3 HIS A 72 5.052 -6.842 8.260 1.00 50.01 H new ATOM 0 HD1 HIS A 72 5.469 -3.925 10.629 1.00 62.32 H new ATOM 0 HD2 HIS A 72 6.723 -7.902 10.240 1.00 1.24 H new ATOM 0 HE1 HIS A 72 6.553 -4.578 12.848 1.00 21.12 H new ATOM 1036 N LYS A 73 8.063 -4.096 8.790 1.00 42.40 N ATOM 1037 CA LYS A 73 8.792 -2.922 9.241 1.00 71.53 C ATOM 1038 C LYS A 73 9.250 -2.106 8.050 1.00 73.22 C ATOM 1039 O LYS A 73 9.003 -0.905 7.994 1.00 22.51 O ATOM 1040 CB LYS A 73 10.045 -3.311 10.057 1.00 14.24 C ATOM 1041 CG LYS A 73 9.735 -4.225 11.263 1.00 30.52 C ATOM 1042 CD LYS A 73 10.989 -4.765 11.976 1.00 62.41 C ATOM 1043 CE LYS A 73 11.870 -3.664 12.587 1.00 43.11 C ATOM 1044 NZ LYS A 73 13.080 -4.227 13.212 1.00 73.43 N ATOM 0 H LYS A 73 8.408 -4.968 9.192 1.00 42.40 H new ATOM 0 HA LYS A 73 8.114 -2.345 9.871 1.00 71.53 H new ATOM 0 HB2 LYS A 73 10.754 -3.816 9.401 1.00 14.24 H new ATOM 0 HB3 LYS A 73 10.532 -2.404 10.414 1.00 14.24 H new ATOM 0 HG2 LYS A 73 9.131 -3.670 11.981 1.00 30.52 H new ATOM 0 HG3 LYS A 73 9.132 -5.067 10.923 1.00 30.52 H new ATOM 0 HD2 LYS A 73 10.681 -5.452 12.764 1.00 62.41 H new ATOM 0 HD3 LYS A 73 11.582 -5.341 11.265 1.00 62.41 H new ATOM 0 HE2 LYS A 73 12.156 -2.953 11.812 1.00 43.11 H new ATOM 0 HE3 LYS A 73 11.298 -3.110 13.332 1.00 43.11 H new ATOM 0 HZ1 LYS A 73 13.653 -3.458 13.615 1.00 73.43 H new ATOM 0 HZ2 LYS A 73 12.806 -4.887 13.968 1.00 73.43 H new ATOM 0 HZ3 LYS A 73 13.637 -4.734 12.495 1.00 73.43 H new ATOM 1058 N GLN A 74 9.923 -2.754 7.054 1.00 1.22 N ATOM 1059 CA GLN A 74 10.413 -2.030 5.894 1.00 32.03 C ATOM 1060 C GLN A 74 9.253 -1.534 5.101 1.00 23.40 C ATOM 1061 O GLN A 74 9.301 -0.445 4.600 1.00 44.34 O ATOM 1062 CB GLN A 74 11.245 -2.876 4.927 1.00 41.31 C ATOM 1063 CG GLN A 74 12.646 -3.214 5.423 1.00 53.15 C ATOM 1064 CD GLN A 74 13.353 -3.904 4.272 1.00 42.12 C ATOM 1065 OE1 GLN A 74 13.586 -3.295 3.227 1.00 22.23 O ATOM 1066 NE2 GLN A 74 13.682 -5.181 4.438 1.00 4.14 N ATOM 0 H GLN A 74 10.124 -3.754 7.050 1.00 1.22 H new ATOM 0 HA GLN A 74 11.044 -1.238 6.297 1.00 32.03 H new ATOM 0 HB2 GLN A 74 10.711 -3.805 4.726 1.00 41.31 H new ATOM 0 HB3 GLN A 74 11.328 -2.344 3.979 1.00 41.31 H new ATOM 0 HG2 GLN A 74 13.180 -2.312 5.722 1.00 53.15 H new ATOM 0 HG3 GLN A 74 12.602 -3.863 6.297 1.00 53.15 H new ATOM 0 HE21 GLN A 74 13.472 -5.651 5.318 1.00 4.14 H new ATOM 0 HE22 GLN A 74 14.144 -5.691 3.685 1.00 4.14 H new ATOM 1075 N ALA A 75 8.178 -2.341 4.960 1.00 54.04 N ATOM 1076 CA ALA A 75 7.029 -1.952 4.162 1.00 23.15 C ATOM 1077 C ALA A 75 6.497 -0.611 4.645 1.00 64.52 C ATOM 1078 O ALA A 75 6.169 0.260 3.838 1.00 33.41 O ATOM 1079 CB ALA A 75 5.894 -2.975 4.273 1.00 4.13 C ATOM 0 H ALA A 75 8.097 -3.261 5.394 1.00 54.04 H new ATOM 0 HA ALA A 75 7.359 -1.892 3.125 1.00 23.15 H new ATOM 0 HB1 ALA A 75 5.051 -2.651 3.663 1.00 4.13 H new ATOM 0 HB2 ALA A 75 6.244 -3.946 3.922 1.00 4.13 H new ATOM 0 HB3 ALA A 75 5.579 -3.057 5.313 1.00 4.13 H new ATOM 1085 N VAL A 76 6.452 -0.411 5.981 1.00 25.11 N ATOM 1086 CA VAL A 76 5.978 0.852 6.534 1.00 71.50 C ATOM 1087 C VAL A 76 7.033 1.899 6.211 1.00 23.42 C ATOM 1088 O VAL A 76 6.728 2.943 5.622 1.00 53.32 O ATOM 1089 CB VAL A 76 5.760 0.807 8.055 1.00 70.11 C ATOM 1090 CG1 VAL A 76 5.260 2.189 8.541 1.00 2.50 C ATOM 1091 CG2 VAL A 76 4.760 -0.322 8.380 1.00 40.12 C ATOM 0 H VAL A 76 6.735 -1.102 6.676 1.00 25.11 H new ATOM 0 HA VAL A 76 5.008 1.081 6.094 1.00 71.50 H new ATOM 0 HB VAL A 76 6.692 0.593 8.578 1.00 70.11 H new ATOM 0 HG11 VAL A 76 5.104 2.161 9.619 1.00 2.50 H new ATOM 0 HG12 VAL A 76 6.003 2.950 8.301 1.00 2.50 H new ATOM 0 HG13 VAL A 76 4.320 2.431 8.045 1.00 2.50 H new ATOM 0 HG21 VAL A 76 4.597 -0.365 9.457 1.00 40.12 H new ATOM 0 HG22 VAL A 76 3.813 -0.126 7.877 1.00 40.12 H new ATOM 0 HG23 VAL A 76 5.163 -1.275 8.036 1.00 40.12 H new ATOM 1101 N CYS A 77 8.308 1.613 6.620 1.00 72.32 N ATOM 1102 CA CYS A 77 9.426 2.621 6.490 1.00 60.44 C ATOM 1103 C CYS A 77 9.510 3.086 5.010 1.00 64.05 C ATOM 1104 O CYS A 77 10.098 4.080 4.683 1.00 74.01 O ATOM 1105 CB CYS A 77 10.787 2.013 6.903 1.00 51.12 C ATOM 1106 SG CYS A 77 12.075 3.279 7.194 1.00 41.34 S ATOM 0 H CYS A 77 8.588 0.723 7.031 1.00 72.32 H new ATOM 0 HA CYS A 77 9.212 3.460 7.151 1.00 60.44 H new ATOM 0 HB2 CYS A 77 10.655 1.422 7.809 1.00 51.12 H new ATOM 0 HB3 CYS A 77 11.126 1.330 6.124 1.00 51.12 H new ATOM 1111 N THR A 78 9.105 2.193 4.085 1.00 13.44 N ATOM 1112 CA THR A 78 9.267 2.441 2.666 1.00 11.40 C ATOM 1113 C THR A 78 8.375 3.593 2.309 1.00 32.54 C ATOM 1114 O THR A 78 8.839 4.578 1.771 1.00 54.01 O ATOM 1115 CB THR A 78 8.946 1.236 1.792 1.00 15.12 C ATOM 1116 OG1 THR A 78 9.832 0.165 2.124 1.00 53.13 O ATOM 1117 CG2 THR A 78 9.148 1.614 0.301 1.00 1.53 C ATOM 0 H THR A 78 8.666 1.300 4.309 1.00 13.44 H new ATOM 0 HA THR A 78 10.317 2.664 2.475 1.00 11.40 H new ATOM 0 HB THR A 78 7.913 0.929 1.958 1.00 15.12 H new ATOM 0 HG1 THR A 78 9.453 -0.356 2.863 1.00 53.13 H new ATOM 0 HG21 THR A 78 8.919 0.753 -0.327 1.00 1.53 H new ATOM 0 HG22 THR A 78 8.485 2.439 0.042 1.00 1.53 H new ATOM 0 HG23 THR A 78 10.183 1.916 0.139 1.00 1.53 H new ATOM 1125 N LEU A 79 7.068 3.488 2.650 1.00 50.11 N ATOM 1126 CA LEU A 79 6.094 4.550 2.372 1.00 15.41 C ATOM 1127 C LEU A 79 6.609 5.846 2.967 1.00 11.34 C ATOM 1128 O LEU A 79 6.777 6.827 2.273 1.00 50.40 O ATOM 1129 CB LEU A 79 4.696 4.252 2.965 1.00 13.44 C ATOM 1130 CG LEU A 79 4.092 2.906 2.477 1.00 72.32 C ATOM 1131 CD1 LEU A 79 2.750 2.589 3.157 1.00 51.23 C ATOM 1132 CD2 LEU A 79 4.009 2.799 0.934 1.00 74.31 C ATOM 0 H LEU A 79 6.672 2.673 3.119 1.00 50.11 H new ATOM 0 HA LEU A 79 5.982 4.619 1.290 1.00 15.41 H new ATOM 0 HB2 LEU A 79 4.767 4.237 4.053 1.00 13.44 H new ATOM 0 HB3 LEU A 79 4.017 5.063 2.701 1.00 13.44 H new ATOM 0 HG LEU A 79 4.795 2.134 2.790 1.00 72.32 H new ATOM 0 HD11 LEU A 79 2.368 1.639 2.783 1.00 51.23 H new ATOM 0 HD12 LEU A 79 2.895 2.523 4.235 1.00 51.23 H new ATOM 0 HD13 LEU A 79 2.034 3.380 2.935 1.00 51.23 H new ATOM 0 HD21 LEU A 79 3.579 1.836 0.659 1.00 74.31 H new ATOM 0 HD22 LEU A 79 3.381 3.601 0.547 1.00 74.31 H new ATOM 0 HD23 LEU A 79 5.009 2.884 0.509 1.00 74.31 H new ATOM 1144 N ARG A 80 6.897 5.819 4.274 1.00 41.32 N ATOM 1145 CA ARG A 80 7.491 6.972 4.990 1.00 64.33 C ATOM 1146 C ARG A 80 8.684 7.600 4.233 1.00 51.34 C ATOM 1147 O ARG A 80 8.893 8.815 4.320 1.00 33.30 O ATOM 1148 CB ARG A 80 7.988 6.604 6.405 1.00 24.35 C ATOM 1149 CG ARG A 80 6.880 6.054 7.303 1.00 72.53 C ATOM 1150 CD ARG A 80 7.319 5.875 8.775 1.00 25.42 C ATOM 1151 NE ARG A 80 6.131 5.407 9.580 1.00 33.14 N ATOM 1152 CZ ARG A 80 5.064 6.245 9.889 1.00 24.43 C ATOM 1153 NH1 ARG A 80 5.084 7.561 9.525 1.00 44.51 N ATOM 1154 NH2 ARG A 80 3.989 5.755 10.561 1.00 24.04 N ATOM 0 H ARG A 80 6.729 5.007 4.868 1.00 41.32 H new ATOM 0 HA ARG A 80 6.675 7.691 5.057 1.00 64.33 H new ATOM 0 HB2 ARG A 80 8.783 5.863 6.323 1.00 24.35 H new ATOM 0 HB3 ARG A 80 8.422 7.488 6.873 1.00 24.35 H new ATOM 0 HG2 ARG A 80 6.024 6.727 7.266 1.00 72.53 H new ATOM 0 HG3 ARG A 80 6.547 5.093 6.911 1.00 72.53 H new ATOM 0 HD2 ARG A 80 8.130 5.150 8.842 1.00 25.42 H new ATOM 0 HD3 ARG A 80 7.699 6.816 9.173 1.00 25.42 H new ATOM 0 HE ARG A 80 6.110 4.442 9.909 1.00 33.14 H new ATOM 0 HH11 ARG A 80 5.887 7.939 9.021 1.00 44.51 H new ATOM 0 HH12 ARG A 80 4.296 8.166 9.757 1.00 44.51 H new ATOM 0 HH21 ARG A 80 3.965 4.774 10.838 1.00 24.04 H new ATOM 0 HH22 ARG A 80 3.206 6.369 10.788 1.00 24.04 H new ATOM 1168 N ASN A 81 9.477 6.801 3.494 1.00 3.02 N ATOM 1169 CA ASN A 81 10.681 7.332 2.834 1.00 53.22 C ATOM 1170 C ASN A 81 10.378 7.677 1.386 1.00 72.41 C ATOM 1171 O ASN A 81 11.285 8.081 0.657 1.00 31.23 O ATOM 1172 CB ASN A 81 11.867 6.325 2.802 1.00 62.33 C ATOM 1173 CG ASN A 81 12.419 6.138 4.217 1.00 54.23 C ATOM 1174 OD1 ASN A 81 12.220 6.983 5.109 1.00 2.21 O ATOM 1175 ND2 ASN A 81 13.137 5.021 4.443 1.00 44.35 N ATOM 0 H ASN A 81 9.310 5.806 3.342 1.00 3.02 H new ATOM 0 HA ASN A 81 10.966 8.205 3.421 1.00 53.22 H new ATOM 0 HB2 ASN A 81 11.534 5.368 2.401 1.00 62.33 H new ATOM 0 HB3 ASN A 81 12.651 6.692 2.140 1.00 62.33 H new ATOM 0 HD21 ASN A 81 13.535 4.849 5.366 1.00 44.35 H new ATOM 0 HD22 ASN A 81 13.282 4.347 3.691 1.00 44.35 H new ATOM 1182 N THR A 82 9.122 7.516 0.912 1.00 40.42 N ATOM 1183 CA THR A 82 8.826 7.803 -0.508 1.00 40.14 C ATOM 1184 C THR A 82 8.813 9.313 -0.729 1.00 3.40 C ATOM 1185 O THR A 82 8.813 10.095 0.225 1.00 62.02 O ATOM 1186 CB THR A 82 7.500 7.235 -1.005 1.00 12.43 C ATOM 1187 OG1 THR A 82 6.392 7.630 -0.161 1.00 40.41 O ATOM 1188 CG2 THR A 82 7.588 5.704 -1.101 1.00 75.34 C ATOM 0 H THR A 82 8.326 7.202 1.467 1.00 40.42 H new ATOM 0 HA THR A 82 9.614 7.311 -1.078 1.00 40.14 H new ATOM 0 HB THR A 82 7.311 7.647 -1.997 1.00 12.43 H new ATOM 0 HG1 THR A 82 6.487 7.212 0.720 1.00 40.41 H new ATOM 0 HG21 THR A 82 6.637 5.306 -1.456 1.00 75.34 H new ATOM 0 HG22 THR A 82 8.380 5.428 -1.797 1.00 75.34 H new ATOM 0 HG23 THR A 82 7.809 5.290 -0.117 1.00 75.34 H new ATOM 1196 N GLY A 83 8.796 9.739 -2.032 1.00 34.44 N ATOM 1197 CA GLY A 83 8.726 11.151 -2.382 1.00 42.41 C ATOM 1198 C GLY A 83 7.306 11.621 -2.218 1.00 14.33 C ATOM 1199 O GLY A 83 6.480 10.951 -1.599 1.00 52.14 O ATOM 0 H GLY A 83 8.830 9.110 -2.834 1.00 34.44 H new ATOM 0 HA2 GLY A 83 9.392 11.732 -1.744 1.00 42.41 H new ATOM 0 HA3 GLY A 83 9.057 11.302 -3.409 1.00 42.41 H new ATOM 1203 N GLN A 84 6.993 12.821 -2.764 1.00 11.45 N ATOM 1204 CA GLN A 84 5.710 13.452 -2.518 1.00 52.33 C ATOM 1205 C GLN A 84 4.703 12.882 -3.466 1.00 33.33 C ATOM 1206 O GLN A 84 3.537 12.749 -3.107 1.00 15.14 O ATOM 1207 CB GLN A 84 5.735 14.989 -2.665 1.00 12.45 C ATOM 1208 CG GLN A 84 6.430 15.509 -3.936 1.00 5.32 C ATOM 1209 CD GLN A 84 6.496 17.025 -3.842 1.00 5.30 C ATOM 1210 OE1 GLN A 84 5.895 17.732 -4.642 1.00 4.35 O ATOM 1211 NE2 GLN A 84 7.234 17.537 -2.856 1.00 43.41 N ATOM 0 H GLN A 84 7.617 13.353 -3.370 1.00 11.45 H new ATOM 0 HA GLN A 84 5.447 13.245 -1.481 1.00 52.33 H new ATOM 0 HB2 GLN A 84 4.709 15.357 -2.654 1.00 12.45 H new ATOM 0 HB3 GLN A 84 6.236 15.414 -1.795 1.00 12.45 H new ATOM 0 HG2 GLN A 84 7.431 15.088 -4.023 1.00 5.32 H new ATOM 0 HG3 GLN A 84 5.878 15.205 -4.825 1.00 5.32 H new ATOM 0 HE21 GLN A 84 7.721 16.917 -2.208 1.00 43.41 H new ATOM 0 HE22 GLN A 84 7.312 18.548 -2.750 1.00 43.41 H new ATOM 1220 N VAL A 85 5.137 12.504 -4.678 1.00 61.31 N ATOM 1221 CA VAL A 85 4.266 11.808 -5.589 1.00 11.21 C ATOM 1222 C VAL A 85 4.861 10.452 -5.672 1.00 1.31 C ATOM 1223 O VAL A 85 6.077 10.320 -5.812 1.00 32.14 O ATOM 1224 CB VAL A 85 4.198 12.412 -6.987 1.00 12.34 C ATOM 1225 CG1 VAL A 85 3.235 11.567 -7.872 1.00 13.01 C ATOM 1226 CG2 VAL A 85 3.737 13.873 -6.845 1.00 64.33 C ATOM 0 H VAL A 85 6.079 12.674 -5.032 1.00 61.31 H new ATOM 0 HA VAL A 85 3.239 11.845 -5.226 1.00 11.21 H new ATOM 0 HB VAL A 85 5.171 12.400 -7.478 1.00 12.34 H new ATOM 0 HG11 VAL A 85 3.186 11.999 -8.872 1.00 13.01 H new ATOM 0 HG12 VAL A 85 3.604 10.543 -7.937 1.00 13.01 H new ATOM 0 HG13 VAL A 85 2.239 11.566 -7.428 1.00 13.01 H new ATOM 0 HG21 VAL A 85 3.678 14.334 -7.831 1.00 64.33 H new ATOM 0 HG22 VAL A 85 2.755 13.900 -6.373 1.00 64.33 H new ATOM 0 HG23 VAL A 85 4.451 14.422 -6.230 1.00 64.33 H new ATOM 1236 N VAL A 86 4.045 9.409 -5.504 1.00 21.35 N ATOM 1237 CA VAL A 86 4.567 8.080 -5.477 1.00 75.14 C ATOM 1238 C VAL A 86 3.685 7.300 -6.377 1.00 41.33 C ATOM 1239 O VAL A 86 2.507 7.614 -6.522 1.00 53.43 O ATOM 1240 CB VAL A 86 4.497 7.469 -4.083 1.00 50.21 C ATOM 1241 CG1 VAL A 86 5.238 6.109 -4.057 1.00 35.22 C ATOM 1242 CG2 VAL A 86 5.100 8.482 -3.111 1.00 5.44 C ATOM 0 H VAL A 86 3.034 9.478 -5.388 1.00 21.35 H new ATOM 0 HA VAL A 86 5.615 8.077 -5.778 1.00 75.14 H new ATOM 0 HB VAL A 86 3.468 7.261 -3.790 1.00 50.21 H new ATOM 0 HG11 VAL A 86 5.181 5.683 -3.055 1.00 35.22 H new ATOM 0 HG12 VAL A 86 4.772 5.427 -4.769 1.00 35.22 H new ATOM 0 HG13 VAL A 86 6.283 6.259 -4.328 1.00 35.22 H new ATOM 0 HG21 VAL A 86 5.068 8.079 -2.099 1.00 5.44 H new ATOM 0 HG22 VAL A 86 6.135 8.682 -3.389 1.00 5.44 H new ATOM 0 HG23 VAL A 86 4.528 9.409 -3.151 1.00 5.44 H new ATOM 1252 N HIS A 87 4.238 6.271 -7.004 1.00 65.25 N ATOM 1253 CA HIS A 87 3.465 5.393 -7.818 1.00 11.32 C ATOM 1254 C HIS A 87 3.426 4.117 -7.073 1.00 31.31 C ATOM 1255 O HIS A 87 4.455 3.571 -6.714 1.00 5.11 O ATOM 1256 CB HIS A 87 4.053 5.166 -9.224 1.00 4.14 C ATOM 1257 CG HIS A 87 3.854 6.385 -10.091 1.00 15.43 C ATOM 1258 ND1 HIS A 87 4.393 6.508 -11.334 1.00 32.25 N ATOM 1259 CD2 HIS A 87 3.086 7.467 -9.880 1.00 22.13 C ATOM 1260 CE1 HIS A 87 3.948 7.640 -11.875 1.00 54.44 C ATOM 1261 NE2 HIS A 87 3.139 8.238 -10.997 1.00 53.32 N ATOM 0 H HIS A 87 5.229 6.037 -6.953 1.00 65.25 H new ATOM 0 HA HIS A 87 2.481 5.826 -7.996 1.00 11.32 H new ATOM 0 HB2 HIS A 87 5.116 4.939 -9.146 1.00 4.14 H new ATOM 0 HB3 HIS A 87 3.576 4.303 -9.688 1.00 4.14 H new ATOM 0 HD2 HIS A 87 2.526 7.685 -8.982 1.00 22.13 H new ATOM 0 HE1 HIS A 87 4.199 8.012 -12.858 1.00 54.44 H new ATOM 0 HE2 HIS A 87 2.647 9.120 -11.140 1.00 53.32 H new ATOM 1270 N LEU A 88 2.221 3.671 -6.763 1.00 71.32 N ATOM 1271 CA LEU A 88 2.032 2.500 -5.969 1.00 32.04 C ATOM 1272 C LEU A 88 1.348 1.550 -6.861 1.00 41.12 C ATOM 1273 O LEU A 88 0.523 1.951 -7.690 1.00 71.03 O ATOM 1274 CB LEU A 88 1.143 2.745 -4.723 1.00 41.01 C ATOM 1275 CG LEU A 88 1.757 3.773 -3.735 1.00 42.12 C ATOM 1276 CD1 LEU A 88 0.751 4.252 -2.681 1.00 55.45 C ATOM 1277 CD2 LEU A 88 3.074 3.280 -3.103 1.00 12.34 C ATOM 0 H LEU A 88 1.355 4.120 -7.061 1.00 71.32 H new ATOM 0 HA LEU A 88 2.991 2.148 -5.589 1.00 32.04 H new ATOM 0 HB2 LEU A 88 0.164 3.099 -5.046 1.00 41.01 H new ATOM 0 HB3 LEU A 88 0.985 1.800 -4.204 1.00 41.01 H new ATOM 0 HG LEU A 88 2.014 4.646 -4.335 1.00 42.12 H new ATOM 0 HD11 LEU A 88 1.234 4.969 -2.017 1.00 55.45 H new ATOM 0 HD12 LEU A 88 -0.095 4.728 -3.176 1.00 55.45 H new ATOM 0 HD13 LEU A 88 0.399 3.399 -2.100 1.00 55.45 H new ATOM 0 HD21 LEU A 88 3.457 4.039 -2.421 1.00 12.34 H new ATOM 0 HD22 LEU A 88 2.890 2.358 -2.552 1.00 12.34 H new ATOM 0 HD23 LEU A 88 3.807 3.094 -3.888 1.00 12.34 H new ATOM 1289 N LEU A 89 1.715 0.279 -6.767 1.00 52.31 N ATOM 1290 CA LEU A 89 1.154 -0.709 -7.633 1.00 4.40 C ATOM 1291 C LEU A 89 0.380 -1.615 -6.757 1.00 43.41 C ATOM 1292 O LEU A 89 0.899 -2.090 -5.726 1.00 64.35 O ATOM 1293 CB LEU A 89 2.231 -1.519 -8.372 1.00 61.55 C ATOM 1294 CG LEU A 89 1.723 -2.330 -9.573 1.00 23.15 C ATOM 1295 CD1 LEU A 89 0.997 -1.458 -10.600 1.00 33.03 C ATOM 1296 CD2 LEU A 89 2.852 -3.105 -10.229 1.00 1.34 C ATOM 0 H LEU A 89 2.397 -0.076 -6.097 1.00 52.31 H new ATOM 0 HA LEU A 89 0.545 -0.230 -8.400 1.00 4.40 H new ATOM 0 HB2 LEU A 89 3.006 -0.835 -8.717 1.00 61.55 H new ATOM 0 HB3 LEU A 89 2.700 -2.202 -7.664 1.00 61.55 H new ATOM 0 HG LEU A 89 0.996 -3.042 -9.184 1.00 23.15 H new ATOM 0 HD11 LEU A 89 0.658 -2.079 -11.429 1.00 33.03 H new ATOM 0 HD12 LEU A 89 0.138 -0.980 -10.129 1.00 33.03 H new ATOM 0 HD13 LEU A 89 1.678 -0.693 -10.974 1.00 33.03 H new ATOM 0 HD21 LEU A 89 2.462 -3.669 -11.076 1.00 1.34 H new ATOM 0 HD22 LEU A 89 3.616 -2.410 -10.577 1.00 1.34 H new ATOM 0 HD23 LEU A 89 3.290 -3.793 -9.505 1.00 1.34 H new ATOM 1308 N LEU A 90 -0.892 -1.844 -7.105 1.00 23.04 N ATOM 1309 CA LEU A 90 -1.752 -2.609 -6.261 1.00 24.12 C ATOM 1310 C LEU A 90 -2.477 -3.553 -7.149 1.00 73.00 C ATOM 1311 O LEU A 90 -2.586 -3.327 -8.356 1.00 62.21 O ATOM 1312 CB LEU A 90 -2.786 -1.772 -5.473 1.00 13.12 C ATOM 1313 CG LEU A 90 -2.147 -0.735 -4.511 1.00 61.03 C ATOM 1314 CD1 LEU A 90 -1.872 0.626 -5.176 1.00 64.41 C ATOM 1315 CD2 LEU A 90 -2.937 -0.587 -3.215 1.00 25.13 C ATOM 0 H LEU A 90 -1.325 -1.504 -7.963 1.00 23.04 H new ATOM 0 HA LEU A 90 -1.137 -3.099 -5.507 1.00 24.12 H new ATOM 0 HB2 LEU A 90 -3.431 -1.250 -6.179 1.00 13.12 H new ATOM 0 HB3 LEU A 90 -3.422 -2.445 -4.897 1.00 13.12 H new ATOM 0 HG LEU A 90 -1.170 -1.142 -4.248 1.00 61.03 H new ATOM 0 HD11 LEU A 90 -1.426 1.303 -4.448 1.00 64.41 H new ATOM 0 HD12 LEU A 90 -1.187 0.490 -6.013 1.00 64.41 H new ATOM 0 HD13 LEU A 90 -2.809 1.050 -5.539 1.00 64.41 H new ATOM 0 HD21 LEU A 90 -2.451 0.149 -2.575 1.00 25.13 H new ATOM 0 HD22 LEU A 90 -3.951 -0.257 -3.442 1.00 25.13 H new ATOM 0 HD23 LEU A 90 -2.975 -1.547 -2.700 1.00 25.13 H new ATOM 1327 N GLU A 91 -2.941 -4.670 -6.579 1.00 4.53 N ATOM 1328 CA GLU A 91 -3.620 -5.672 -7.346 1.00 42.22 C ATOM 1329 C GLU A 91 -4.929 -5.853 -6.672 1.00 35.42 C ATOM 1330 O GLU A 91 -5.000 -5.870 -5.440 1.00 50.10 O ATOM 1331 CB GLU A 91 -2.878 -7.034 -7.338 1.00 62.54 C ATOM 1332 CG GLU A 91 -3.500 -8.101 -8.249 1.00 61.32 C ATOM 1333 CD GLU A 91 -2.688 -9.357 -8.103 1.00 20.12 C ATOM 1334 OE1 GLU A 91 -1.477 -9.325 -8.404 1.00 41.43 O ATOM 1335 OE2 GLU A 91 -3.247 -10.386 -7.681 1.00 4.13 O ATOM 0 H GLU A 91 -2.849 -4.886 -5.586 1.00 4.53 H new ATOM 0 HA GLU A 91 -3.693 -5.357 -8.387 1.00 42.22 H new ATOM 0 HB2 GLU A 91 -1.844 -6.872 -7.642 1.00 62.54 H new ATOM 0 HB3 GLU A 91 -2.854 -7.415 -6.317 1.00 62.54 H new ATOM 0 HG2 GLU A 91 -4.538 -8.283 -7.971 1.00 61.32 H new ATOM 0 HG3 GLU A 91 -3.501 -7.765 -9.286 1.00 61.32 H new ATOM 1342 N LYS A 92 -6.025 -5.943 -7.457 1.00 21.04 N ATOM 1343 CA LYS A 92 -7.326 -6.123 -6.874 1.00 1.25 C ATOM 1344 C LYS A 92 -7.422 -7.490 -6.275 1.00 63.22 C ATOM 1345 O LYS A 92 -6.855 -8.456 -6.762 1.00 52.30 O ATOM 1346 CB LYS A 92 -8.513 -5.911 -7.832 1.00 71.52 C ATOM 1347 CG LYS A 92 -8.694 -4.471 -8.274 1.00 45.34 C ATOM 1348 CD LYS A 92 -9.059 -3.525 -7.128 1.00 12.14 C ATOM 1349 CE LYS A 92 -9.292 -2.070 -7.585 1.00 30.40 C ATOM 1350 NZ LYS A 92 -9.696 -1.194 -6.459 1.00 33.44 N ATOM 0 H LYS A 92 -6.013 -5.892 -8.476 1.00 21.04 H new ATOM 0 HA LYS A 92 -7.411 -5.340 -6.120 1.00 1.25 H new ATOM 0 HB2 LYS A 92 -8.373 -6.537 -8.713 1.00 71.52 H new ATOM 0 HB3 LYS A 92 -9.427 -6.249 -7.343 1.00 71.52 H new ATOM 0 HG2 LYS A 92 -7.773 -4.124 -8.742 1.00 45.34 H new ATOM 0 HG3 LYS A 92 -9.474 -4.427 -9.034 1.00 45.34 H new ATOM 0 HD2 LYS A 92 -9.960 -3.892 -6.637 1.00 12.14 H new ATOM 0 HD3 LYS A 92 -8.261 -3.541 -6.385 1.00 12.14 H new ATOM 0 HE2 LYS A 92 -8.380 -1.681 -8.038 1.00 30.40 H new ATOM 0 HE3 LYS A 92 -10.063 -2.051 -8.355 1.00 30.40 H new ATOM 0 HZ1 LYS A 92 -9.843 -0.225 -6.808 1.00 33.44 H new ATOM 0 HZ2 LYS A 92 -10.580 -1.550 -6.042 1.00 33.44 H new ATOM 0 HZ3 LYS A 92 -8.949 -1.192 -5.736 1.00 33.44 H new ATOM 1364 N GLY A 93 -8.137 -7.532 -5.182 1.00 65.50 N ATOM 1365 CA GLY A 93 -8.261 -8.711 -4.373 1.00 14.03 C ATOM 1366 C GLY A 93 -8.087 -8.219 -3.000 1.00 44.42 C ATOM 1367 O GLY A 93 -7.277 -8.722 -2.225 1.00 63.30 O ATOM 0 H GLY A 93 -8.658 -6.732 -4.824 1.00 65.50 H new ATOM 0 HA2 GLY A 93 -9.233 -9.186 -4.507 1.00 14.03 H new ATOM 0 HA3 GLY A 93 -7.505 -9.453 -4.630 1.00 14.03 H new ATOM 1371 N GLN A 94 -8.844 -7.164 -2.684 1.00 3.25 N ATOM 1372 CA GLN A 94 -8.762 -6.490 -1.426 1.00 2.51 C ATOM 1373 C GLN A 94 -9.457 -7.369 -0.461 1.00 21.44 C ATOM 1374 O GLN A 94 -10.533 -7.896 -0.768 1.00 72.02 O ATOM 1375 CB GLN A 94 -9.544 -5.140 -1.436 1.00 3.43 C ATOM 1376 CG GLN A 94 -8.883 -3.973 -2.213 1.00 14.31 C ATOM 1377 CD GLN A 94 -8.462 -4.413 -3.607 1.00 55.35 C ATOM 1378 OE1 GLN A 94 -9.240 -5.044 -4.349 1.00 42.42 O ATOM 1379 NE2 GLN A 94 -7.216 -4.091 -3.983 1.00 22.35 N ATOM 0 H GLN A 94 -9.535 -6.764 -3.318 1.00 3.25 H new ATOM 0 HA GLN A 94 -7.718 -6.286 -1.189 1.00 2.51 H new ATOM 0 HB2 GLN A 94 -10.532 -5.319 -1.861 1.00 3.43 H new ATOM 0 HB3 GLN A 94 -9.694 -4.823 -0.404 1.00 3.43 H new ATOM 0 HG2 GLN A 94 -9.581 -3.139 -2.287 1.00 14.31 H new ATOM 0 HG3 GLN A 94 -8.013 -3.613 -1.664 1.00 14.31 H new ATOM 0 HE21 GLN A 94 -6.609 -3.574 -3.347 1.00 22.35 H new ATOM 0 HE22 GLN A 94 -6.875 -4.363 -4.905 1.00 22.35 H new ATOM 1388 N SER A 95 -8.887 -7.568 0.728 1.00 31.40 N ATOM 1389 CA SER A 95 -9.504 -8.401 1.714 1.00 3.51 C ATOM 1390 C SER A 95 -10.557 -7.540 2.389 1.00 52.20 C ATOM 1391 O SER A 95 -10.531 -6.304 2.278 1.00 75.03 O ATOM 1392 CB SER A 95 -8.460 -8.848 2.777 1.00 35.12 C ATOM 1393 OG SER A 95 -7.376 -9.538 2.127 1.00 71.40 O ATOM 0 H SER A 95 -7.999 -7.156 1.015 1.00 31.40 H new ATOM 0 HA SER A 95 -9.929 -9.296 1.259 1.00 3.51 H new ATOM 0 HB2 SER A 95 -8.081 -7.980 3.317 1.00 35.12 H new ATOM 0 HB3 SER A 95 -8.931 -9.500 3.513 1.00 35.12 H new ATOM 0 HG SER A 95 -6.628 -8.919 1.993 1.00 71.40 H new ATOM 1399 N PRO A 96 -11.522 -8.182 3.064 1.00 45.44 N ATOM 1400 CA PRO A 96 -12.578 -7.473 3.771 1.00 12.22 C ATOM 1401 C PRO A 96 -11.967 -6.691 4.909 1.00 45.33 C ATOM 1402 O PRO A 96 -10.820 -6.958 5.287 1.00 3.41 O ATOM 1403 CB PRO A 96 -13.502 -8.588 4.291 1.00 4.22 C ATOM 1404 CG PRO A 96 -12.605 -9.835 4.356 1.00 21.44 C ATOM 1405 CD PRO A 96 -11.658 -9.641 3.175 1.00 4.12 C ATOM 0 HA PRO A 96 -13.121 -6.761 3.150 1.00 12.22 H new ATOM 0 HB2 PRO A 96 -13.909 -8.341 5.271 1.00 4.22 H new ATOM 0 HB3 PRO A 96 -14.350 -8.744 3.624 1.00 4.22 H new ATOM 0 HG2 PRO A 96 -12.065 -9.894 5.301 1.00 21.44 H new ATOM 0 HG3 PRO A 96 -13.184 -10.754 4.262 1.00 21.44 H new ATOM 0 HD2 PRO A 96 -10.695 -10.119 3.353 1.00 4.12 H new ATOM 0 HD3 PRO A 96 -12.065 -10.075 2.262 1.00 4.12 H new ATOM 1413 N THR A 97 -12.706 -5.719 5.423 1.00 40.50 N ATOM 1414 CA THR A 97 -12.241 -4.906 6.495 1.00 31.01 C ATOM 1415 C THR A 97 -12.632 -5.639 7.792 1.00 32.31 C ATOM 1416 O THR A 97 -11.733 -5.956 8.593 1.00 71.50 O ATOM 1417 CB THR A 97 -12.896 -3.547 6.495 1.00 34.31 C ATOM 1418 OG1 THR A 97 -14.310 -3.693 6.309 1.00 23.45 O ATOM 1419 CG2 THR A 97 -12.305 -2.727 5.327 1.00 54.00 C ATOM 0 H THR A 97 -13.644 -5.486 5.096 1.00 40.50 H new ATOM 0 HA THR A 97 -11.166 -4.751 6.401 1.00 31.01 H new ATOM 0 HB THR A 97 -12.714 -3.042 7.444 1.00 34.31 H new ATOM 0 HG1 THR A 97 -14.733 -2.809 6.311 1.00 23.45 H new ATOM 0 HG21 THR A 97 -12.765 -1.739 5.307 1.00 54.00 H new ATOM 0 HG22 THR A 97 -11.228 -2.624 5.463 1.00 54.00 H new ATOM 0 HG23 THR A 97 -12.504 -3.239 4.386 1.00 54.00 H new TER 1427 THR A 97 HETATM 1428 C1 33B A 101 1.264 2.417 11.350 1.00 71.03 C HETATM 1429 C2 33B A 101 2.740 2.390 11.759 1.00 72.13 C HETATM 1430 O2 33B A 101 3.368 3.451 11.851 1.00 32.13 O HETATM 1431 N3 33B A 101 3.287 1.144 12.030 1.00 34.24 N HETATM 1432 C4 33B A 101 4.640 0.897 12.751 1.00 51.24 C HETATM 1433 C5 33B A 101 5.441 1.988 13.216 1.00 52.50 C HETATM 1434 C6 33B A 101 5.114 -0.473 13.059 1.00 63.43 C HETATM 1435 S6 33B A 101 4.284 -1.982 12.514 1.00 55.33 S HETATM 1436 C7 33B A 101 6.582 1.767 13.980 1.00 0.33 C HETATM 1437 C8 33B A 101 6.281 -0.618 13.849 1.00 74.04 C HETATM 1438 C9 33B A 101 6.988 0.480 14.331 1.00 14.30 C HETATM 1439 N10 33B A 101 8.117 0.278 15.313 1.00 34.04 N HETATM 1440 N11 33B A 101 9.348 0.494 15.097 1.00 42.45 N HETATM 1441 C12 33B A 101 9.944 0.978 13.807 1.00 62.00 C HETATM 1442 C13 33B A 101 10.506 0.057 12.924 1.00 73.42 C HETATM 1443 C14 33B A 101 10.011 2.343 13.518 1.00 21.50 C HETATM 1444 C15 33B A 101 11.152 0.467 11.762 1.00 61.34 C HETATM 1445 C16 33B A 101 10.657 2.826 12.345 1.00 13.31 C HETATM 1446 C17 33B A 101 11.270 1.851 11.431 1.00 25.11 C HETATM 1447 S17 33B A 101 10.709 4.599 12.049 1.00 20.42 S HETATM 1448 N18 33B A 101 12.028 2.322 10.162 1.00 12.34 N HETATM 1449 C19 33B A 101 12.644 1.494 9.234 1.00 71.42 C HETATM 1450 O19 33B A 101 12.688 0.273 9.340 1.00 52.01 O HETATM 1451 C20 33B A 101 13.293 2.177 8.019 1.00 3.42 C HETATM 1452 O61 33B A 101 2.913 -1.591 12.291 1.00 13.44 O HETATM 1453 O62 33B A 101 5.020 -2.355 11.327 1.00 42.15 O HETATM 1454 O63 33B A 101 4.483 -2.876 13.644 1.00 74.23 O HETATM 1455 O71 33B A 101 10.105 5.174 13.234 1.00 12.11 O HETATM 1456 O72 33B A 101 12.118 4.859 11.893 1.00 51.20 O HETATM 1457 O73 33B A 101 9.928 4.744 10.851 1.00 42.04 O HETATM 0 HO72 33B A 101 12.258 5.814 11.724 1.00 51.20 H new HETATM 0 HO62 33B A 101 5.980 -2.351 11.523 1.00 42.15 H new HETATM 0 HN18 33B A 101 12.078 3.327 9.995 1.00 12.34 H new HETATM 0 HN3 33B A 101 2.758 0.325 11.732 1.00 34.24 H new HETATM 0 H8 33B A 101 6.636 -1.621 14.087 1.00 74.04 H new HETATM 0 H7 33B A 101 7.173 2.620 14.312 1.00 0.33 H new HETATM 0 H5 33B A 101 5.152 3.009 12.967 1.00 52.50 H new HETATM 0 H15 33B A 101 11.576 -0.282 11.092 1.00 61.34 H new HETATM 0 H14 33B A 101 9.558 3.055 14.207 1.00 21.50 H new HETATM 0 H13 33B A 101 10.438 -1.007 13.149 1.00 73.42 H new