USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 726 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 82 TYR OH : rot 32:sc= 1.27 USER MOD Set 2.1: A 14 TYR OH : rot 180:sc= -0.874 USER MOD Set 2.2: A 44 GLN : amide:sc= -0.872 X(o=-1.7,f=-2.2) USER MOD Single : A 1 HIS : no HD1:sc= -0.0493 X(o=-0.049,f=-0.1) USER MOD Single : A 1 HIS N :NH3+ 168:sc= -0.0319 (180deg=-0.335) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.05! C(o=-2.1!,f=-2.1!) USER MOD Single : A 15 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.053) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0632 X(o=-0.063,f=-0.0078) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -38:sc= 0.0967 USER MOD Single : A 37 LYS NZ :NH3+ -147:sc= 0.64 (180deg=-1.04) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.548 X(o=-0.55,f=-0.29) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.36 K(o=-1.4,f=0.44) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 73:sc= -2.04 USER MOD Single : A 70 ASN : amide:sc= -3.49 K(o=-3.5,f=-1) USER MOD Single : A 73 ASN : amide:sc= -0.709 X(o=-0.71,f=-0.71) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -94:sc= 1.27 USER MOD Single : A 81 ASN : amide:sc= -0.634 K(o=-0.63,f=-1.2) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -3.894 -1.139 20.976 1.00 74.33 N ATOM 2 CA HIS A 1 -5.197 -1.671 21.360 1.00 61.24 C ATOM 3 C HIS A 1 -6.219 -1.458 20.247 1.00 73.31 C ATOM 4 O HIS A 1 -7.417 -1.343 20.504 1.00 62.43 O ATOM 5 CB HIS A 1 -5.683 -1.008 22.648 1.00 0.15 C ATOM 6 CG HIS A 1 -5.728 0.488 22.573 1.00 45.31 C ATOM 7 ND1 HIS A 1 -6.843 1.188 22.165 1.00 3.23 N ATOM 8 CD2 HIS A 1 -4.786 1.417 22.858 1.00 43.44 C ATOM 9 CE1 HIS A 1 -6.585 2.483 22.200 1.00 5.14 C ATOM 10 NE2 HIS A 1 -5.343 2.648 22.617 1.00 25.13 N ATOM 0 H1 HIS A 1 -3.272 -1.108 21.809 1.00 74.33 H new ATOM 0 H2 HIS A 1 -3.470 -1.751 20.250 1.00 74.33 H new ATOM 0 H3 HIS A 1 -4.010 -0.178 20.595 1.00 74.33 H new ATOM 0 HA HIS A 1 -5.089 -2.742 21.531 1.00 61.24 H new ATOM 0 HB2 HIS A 1 -6.679 -1.382 22.886 1.00 0.15 H new ATOM 0 HB3 HIS A 1 -5.028 -1.303 23.468 1.00 0.15 H new ATOM 0 HD2 HIS A 1 -3.783 1.225 23.210 1.00 43.44 H new ATOM 0 HE1 HIS A 1 -7.272 3.272 21.933 1.00 5.14 H new ATOM 0 HE2 HIS A 1 -4.874 3.545 22.740 1.00 25.13 H new ATOM 19 N MET A 2 -5.737 -1.404 19.009 1.00 35.03 N ATOM 20 CA MET A 2 -6.610 -1.204 17.858 1.00 43.03 C ATOM 21 C MET A 2 -6.947 -2.537 17.195 1.00 21.21 C ATOM 22 O MET A 2 -6.083 -3.184 16.603 1.00 21.33 O ATOM 23 CB MET A 2 -5.947 -0.270 16.844 1.00 44.24 C ATOM 24 CG MET A 2 -5.933 1.186 17.279 1.00 21.21 C ATOM 25 SD MET A 2 -5.250 2.281 16.019 1.00 70.11 S ATOM 26 CE MET A 2 -5.890 3.863 16.563 1.00 54.30 C ATOM 0 H MET A 2 -4.748 -1.496 18.778 1.00 35.03 H new ATOM 0 HA MET A 2 -7.536 -0.748 18.209 1.00 43.03 H new ATOM 0 HB2 MET A 2 -4.922 -0.600 16.674 1.00 44.24 H new ATOM 0 HB3 MET A 2 -6.470 -0.351 15.891 1.00 44.24 H new ATOM 0 HG2 MET A 2 -6.950 1.500 17.516 1.00 21.21 H new ATOM 0 HG3 MET A 2 -5.349 1.282 18.194 1.00 21.21 H new ATOM 0 HE1 MET A 2 -5.553 4.645 15.883 1.00 54.30 H new ATOM 0 HE2 MET A 2 -6.980 3.832 16.569 1.00 54.30 H new ATOM 0 HE3 MET A 2 -5.527 4.076 17.569 1.00 54.30 H new ATOM 36 N LYS A 3 -8.208 -2.941 17.298 1.00 34.21 N ATOM 37 CA LYS A 3 -8.661 -4.195 16.708 1.00 23.41 C ATOM 38 C LYS A 3 -9.535 -3.937 15.485 1.00 13.22 C ATOM 39 O LYS A 3 -9.920 -2.800 15.216 1.00 63.00 O ATOM 40 CB LYS A 3 -9.438 -5.017 17.739 1.00 50.14 C ATOM 41 CG LYS A 3 -8.806 -5.013 19.120 1.00 34.25 C ATOM 42 CD LYS A 3 -9.535 -5.950 20.069 1.00 32.22 C ATOM 43 CE LYS A 3 -8.897 -7.330 20.089 1.00 61.34 C ATOM 44 NZ LYS A 3 -9.914 -8.409 20.223 1.00 14.11 N ATOM 0 H LYS A 3 -8.935 -2.418 17.785 1.00 34.21 H new ATOM 0 HA LYS A 3 -7.782 -4.757 16.392 1.00 23.41 H new ATOM 0 HB2 LYS A 3 -10.453 -4.627 17.812 1.00 50.14 H new ATOM 0 HB3 LYS A 3 -9.516 -6.046 17.387 1.00 50.14 H new ATOM 0 HG2 LYS A 3 -7.761 -5.312 19.044 1.00 34.25 H new ATOM 0 HG3 LYS A 3 -8.819 -4.001 19.525 1.00 34.25 H new ATOM 0 HD2 LYS A 3 -9.527 -5.530 21.075 1.00 32.22 H new ATOM 0 HD3 LYS A 3 -10.579 -6.035 19.767 1.00 32.22 H new ATOM 0 HE2 LYS A 3 -8.327 -7.480 19.172 1.00 61.34 H new ATOM 0 HE3 LYS A 3 -8.191 -7.392 20.917 1.00 61.34 H new ATOM 0 HZ1 LYS A 3 -9.439 -9.334 20.233 1.00 14.11 H new ATOM 0 HZ2 LYS A 3 -10.441 -8.281 21.110 1.00 14.11 H new ATOM 0 HZ3 LYS A 3 -10.573 -8.367 19.420 1.00 14.11 H new ATOM 58 N GLU A 4 -9.845 -5.000 14.749 1.00 42.22 N ATOM 59 CA GLU A 4 -10.674 -4.886 13.555 1.00 25.10 C ATOM 60 C GLU A 4 -10.062 -3.906 12.559 1.00 52.53 C ATOM 61 O GLU A 4 -10.777 -3.180 11.868 1.00 5.12 O ATOM 62 CB GLU A 4 -12.087 -4.434 13.931 1.00 74.21 C ATOM 63 CG GLU A 4 -13.184 -5.252 13.269 1.00 12.11 C ATOM 64 CD GLU A 4 -14.058 -5.977 14.275 1.00 21.24 C ATOM 65 OE1 GLU A 4 -14.844 -5.303 14.973 1.00 53.13 O ATOM 66 OE2 GLU A 4 -13.954 -7.218 14.364 1.00 51.01 O ATOM 0 H GLU A 4 -9.535 -5.949 14.959 1.00 42.22 H new ATOM 0 HA GLU A 4 -10.727 -5.868 13.085 1.00 25.10 H new ATOM 0 HB2 GLU A 4 -12.203 -4.495 15.013 1.00 74.21 H new ATOM 0 HB3 GLU A 4 -12.210 -3.387 13.655 1.00 74.21 H new ATOM 0 HG2 GLU A 4 -13.805 -4.595 12.660 1.00 12.11 H new ATOM 0 HG3 GLU A 4 -12.733 -5.979 12.594 1.00 12.11 H new ATOM 73 N ARG A 5 -8.735 -3.892 12.491 1.00 43.15 N ATOM 74 CA ARG A 5 -8.025 -3.001 11.580 1.00 14.30 C ATOM 75 C ARG A 5 -6.820 -3.703 10.963 1.00 41.41 C ATOM 76 O ARG A 5 -6.328 -4.710 11.472 1.00 51.23 O ATOM 77 CB ARG A 5 -7.573 -1.740 12.318 1.00 2.41 C ATOM 78 CG ARG A 5 -8.417 -0.516 12.006 1.00 54.32 C ATOM 79 CD ARG A 5 -8.642 0.337 13.245 1.00 73.00 C ATOM 80 NE ARG A 5 -8.432 1.757 12.978 1.00 55.12 N ATOM 81 CZ ARG A 5 -8.833 2.726 13.793 1.00 33.25 C ATOM 82 NH1 ARG A 5 -9.463 2.428 14.922 1.00 62.42 N ATOM 83 NH2 ARG A 5 -8.605 3.995 13.481 1.00 74.33 N ATOM 0 H ARG A 5 -8.129 -4.487 13.056 1.00 43.15 H new ATOM 0 HA ARG A 5 -8.708 -2.720 10.779 1.00 14.30 H new ATOM 0 HB2 ARG A 5 -7.603 -1.927 13.391 1.00 2.41 H new ATOM 0 HB3 ARG A 5 -6.535 -1.531 12.060 1.00 2.41 H new ATOM 0 HG2 ARG A 5 -7.925 0.080 11.237 1.00 54.32 H new ATOM 0 HG3 ARG A 5 -9.378 -0.830 11.600 1.00 54.32 H new ATOM 0 HD2 ARG A 5 -9.657 0.183 13.611 1.00 73.00 H new ATOM 0 HD3 ARG A 5 -7.965 0.013 14.036 1.00 73.00 H new ATOM 0 HE ARG A 5 -7.951 2.019 12.118 1.00 55.12 H new ATOM 0 HH11 ARG A 5 -9.640 1.453 15.165 1.00 62.42 H new ATOM 0 HH12 ARG A 5 -9.770 3.174 15.547 1.00 62.42 H new ATOM 0 HH21 ARG A 5 -8.121 4.228 12.614 1.00 74.33 H new ATOM 0 HH22 ARG A 5 -8.914 4.738 14.108 1.00 74.33 H new ATOM 97 N PRO A 6 -6.331 -3.159 9.838 1.00 51.02 N ATOM 98 CA PRO A 6 -5.177 -3.716 9.126 1.00 3.10 C ATOM 99 C PRO A 6 -3.875 -3.531 9.898 1.00 51.34 C ATOM 100 O PRO A 6 -3.806 -2.786 10.875 1.00 12.34 O ATOM 101 CB PRO A 6 -5.145 -2.916 7.821 1.00 44.42 C ATOM 102 CG PRO A 6 -5.816 -1.628 8.152 1.00 44.41 C ATOM 103 CD PRO A 6 -6.867 -1.959 9.176 1.00 53.53 C ATOM 0 HA PRO A 6 -5.269 -4.792 8.979 1.00 3.10 H new ATOM 0 HB2 PRO A 6 -4.122 -2.754 7.481 1.00 44.42 H new ATOM 0 HB3 PRO A 6 -5.668 -3.441 7.021 1.00 44.42 H new ATOM 0 HG2 PRO A 6 -5.101 -0.906 8.546 1.00 44.41 H new ATOM 0 HG3 PRO A 6 -6.263 -1.182 7.264 1.00 44.41 H new ATOM 0 HD2 PRO A 6 -7.012 -1.141 9.882 1.00 53.53 H new ATOM 0 HD3 PRO A 6 -7.834 -2.154 8.711 1.00 53.53 H new ATOM 111 N PRO A 7 -2.818 -4.224 9.450 1.00 63.55 N ATOM 112 CA PRO A 7 -1.498 -4.152 10.084 1.00 41.12 C ATOM 113 C PRO A 7 -0.826 -2.799 9.871 1.00 61.02 C ATOM 114 O PRO A 7 -1.266 -1.981 9.063 1.00 51.22 O ATOM 115 CB PRO A 7 -0.706 -5.258 9.383 1.00 72.41 C ATOM 116 CG PRO A 7 -1.370 -5.419 8.060 1.00 52.23 C ATOM 117 CD PRO A 7 -2.828 -5.132 8.290 1.00 43.05 C ATOM 0 HA PRO A 7 -1.559 -4.273 11.166 1.00 41.12 H new ATOM 0 HB2 PRO A 7 0.342 -4.983 9.269 1.00 72.41 H new ATOM 0 HB3 PRO A 7 -0.731 -6.186 9.954 1.00 72.41 H new ATOM 0 HG2 PRO A 7 -0.948 -4.733 7.326 1.00 52.23 H new ATOM 0 HG3 PRO A 7 -1.227 -6.428 7.672 1.00 52.23 H new ATOM 0 HD2 PRO A 7 -3.288 -4.666 7.419 1.00 43.05 H new ATOM 0 HD3 PRO A 7 -3.389 -6.043 8.498 1.00 43.05 H new ATOM 125 N PRO A 8 0.266 -2.556 10.611 1.00 71.04 N ATOM 126 CA PRO A 8 1.023 -1.306 10.520 1.00 3.52 C ATOM 127 C PRO A 8 1.770 -1.175 9.196 1.00 31.44 C ATOM 128 O PRO A 8 1.604 -1.995 8.294 1.00 13.15 O ATOM 129 CB PRO A 8 2.011 -1.400 11.685 1.00 75.15 C ATOM 130 CG PRO A 8 2.175 -2.863 11.922 1.00 25.32 C ATOM 131 CD PRO A 8 0.847 -3.488 11.593 1.00 23.03 C ATOM 0 HA PRO A 8 0.372 -0.433 10.567 1.00 3.52 H new ATOM 0 HB2 PRO A 8 2.962 -0.930 11.437 1.00 75.15 H new ATOM 0 HB3 PRO A 8 1.628 -0.895 12.572 1.00 75.15 H new ATOM 0 HG2 PRO A 8 2.966 -3.274 11.294 1.00 25.32 H new ATOM 0 HG3 PRO A 8 2.454 -3.062 12.957 1.00 25.32 H new ATOM 0 HD2 PRO A 8 0.966 -4.488 11.177 1.00 23.03 H new ATOM 0 HD3 PRO A 8 0.218 -3.584 12.478 1.00 23.03 H new ATOM 139 N VAL A 9 2.595 -0.138 9.088 1.00 71.45 N ATOM 140 CA VAL A 9 3.370 0.098 7.876 1.00 2.13 C ATOM 141 C VAL A 9 4.280 -1.084 7.565 1.00 64.24 C ATOM 142 O VAL A 9 4.885 -1.685 8.455 1.00 22.44 O ATOM 143 CB VAL A 9 4.225 1.373 7.997 1.00 42.43 C ATOM 144 CG1 VAL A 9 3.356 2.614 7.871 1.00 63.10 C ATOM 145 CG2 VAL A 9 4.991 1.379 9.310 1.00 32.52 C ATOM 0 H VAL A 9 2.744 0.551 9.825 1.00 71.45 H new ATOM 0 HA VAL A 9 2.655 0.224 7.063 1.00 2.13 H new ATOM 0 HB VAL A 9 4.948 1.382 7.182 1.00 42.43 H new ATOM 0 HG11 VAL A 9 3.978 3.504 7.959 1.00 63.10 H new ATOM 0 HG12 VAL A 9 2.859 2.613 6.901 1.00 63.10 H new ATOM 0 HG13 VAL A 9 2.607 2.615 8.663 1.00 63.10 H new ATOM 0 HG21 VAL A 9 5.590 2.287 9.378 1.00 32.52 H new ATOM 0 HG22 VAL A 9 4.287 1.345 10.142 1.00 32.52 H new ATOM 0 HG23 VAL A 9 5.646 0.509 9.353 1.00 32.52 H new ATOM 155 N PRO A 10 4.384 -1.429 6.274 1.00 5.31 N ATOM 156 CA PRO A 10 5.221 -2.543 5.816 1.00 2.34 C ATOM 157 C PRO A 10 6.710 -2.245 5.958 1.00 2.55 C ATOM 158 O PRO A 10 7.401 -2.003 4.968 1.00 4.31 O ATOM 159 CB PRO A 10 4.843 -2.687 4.339 1.00 22.32 C ATOM 160 CG PRO A 10 4.355 -1.337 3.940 1.00 15.11 C ATOM 161 CD PRO A 10 3.694 -0.757 5.160 1.00 33.31 C ATOM 0 HA PRO A 10 5.054 -3.446 6.403 1.00 2.34 H new ATOM 0 HB2 PRO A 10 5.700 -2.991 3.739 1.00 22.32 H new ATOM 0 HB3 PRO A 10 4.071 -3.444 4.200 1.00 22.32 H new ATOM 0 HG2 PRO A 10 5.180 -0.707 3.607 1.00 15.11 H new ATOM 0 HG3 PRO A 10 3.651 -1.406 3.111 1.00 15.11 H new ATOM 0 HD2 PRO A 10 3.815 0.325 5.207 1.00 33.31 H new ATOM 0 HD3 PRO A 10 2.623 -0.958 5.171 1.00 33.31 H new ATOM 169 N ASN A 11 7.198 -2.266 7.192 1.00 24.22 N ATOM 170 CA ASN A 11 8.606 -1.999 7.465 1.00 53.43 C ATOM 171 C ASN A 11 9.132 -0.890 6.558 1.00 0.45 C ATOM 172 O ASN A 11 9.744 -1.140 5.520 1.00 42.35 O ATOM 173 CB ASN A 11 9.435 -3.270 7.267 1.00 31.24 C ATOM 174 CG ASN A 11 8.990 -4.069 6.058 1.00 3.31 C ATOM 175 OD1 ASN A 11 8.097 -4.911 6.151 1.00 32.53 O ATOM 176 ND2 ASN A 11 9.612 -3.809 4.915 1.00 2.32 N ATOM 0 H ASN A 11 6.639 -2.465 8.022 1.00 24.22 H new ATOM 0 HA ASN A 11 8.696 -1.673 8.501 1.00 53.43 H new ATOM 0 HB2 ASN A 11 10.485 -3.001 7.155 1.00 31.24 H new ATOM 0 HB3 ASN A 11 9.359 -3.893 8.158 1.00 31.24 H new ATOM 0 HD21 ASN A 11 9.355 -4.316 4.068 1.00 2.32 H new ATOM 0 HD22 ASN A 11 10.347 -3.102 4.884 1.00 2.32 H new ATOM 183 N PRO A 12 8.890 0.367 6.959 1.00 61.13 N ATOM 184 CA PRO A 12 9.333 1.540 6.199 1.00 71.14 C ATOM 185 C PRO A 12 10.847 1.717 6.234 1.00 54.53 C ATOM 186 O PRO A 12 11.475 1.573 7.284 1.00 53.53 O ATOM 187 CB PRO A 12 8.643 2.706 6.911 1.00 63.31 C ATOM 188 CG PRO A 12 8.415 2.219 8.301 1.00 63.22 C ATOM 189 CD PRO A 12 8.167 0.740 8.186 1.00 52.12 C ATOM 0 HA PRO A 12 9.081 1.458 5.142 1.00 71.14 H new ATOM 0 HB2 PRO A 12 9.266 3.600 6.902 1.00 63.31 H new ATOM 0 HB3 PRO A 12 7.704 2.967 6.424 1.00 63.31 H new ATOM 0 HG2 PRO A 12 9.280 2.422 8.932 1.00 63.22 H new ATOM 0 HG3 PRO A 12 7.563 2.723 8.756 1.00 63.22 H new ATOM 0 HD2 PRO A 12 8.545 0.201 9.055 1.00 52.12 H new ATOM 0 HD3 PRO A 12 7.103 0.516 8.109 1.00 52.12 H new ATOM 197 N ASP A 13 11.428 2.029 5.082 1.00 53.23 N ATOM 198 CA ASP A 13 12.869 2.226 4.980 1.00 22.12 C ATOM 199 C ASP A 13 13.190 3.581 4.356 1.00 54.11 C ATOM 200 O ASP A 13 14.124 3.704 3.562 1.00 20.12 O ATOM 201 CB ASP A 13 13.503 1.107 4.154 1.00 61.15 C ATOM 202 CG ASP A 13 14.969 0.903 4.481 1.00 23.42 C ATOM 203 OD1 ASP A 13 15.762 0.685 3.542 1.00 45.44 O ATOM 204 OD2 ASP A 13 15.323 0.961 5.678 1.00 44.35 O ATOM 0 H ASP A 13 10.923 2.151 4.204 1.00 53.23 H new ATOM 0 HA ASP A 13 13.285 2.202 5.987 1.00 22.12 H new ATOM 0 HB2 ASP A 13 12.962 0.178 4.331 1.00 61.15 H new ATOM 0 HB3 ASP A 13 13.399 1.339 3.094 1.00 61.15 H new ATOM 210 N TYR A 14 12.411 4.592 4.718 1.00 13.44 N ATOM 211 CA TYR A 14 12.609 5.937 4.190 1.00 51.32 C ATOM 212 C TYR A 14 13.825 6.600 4.829 1.00 65.03 C ATOM 213 O TYR A 14 14.358 7.578 4.309 1.00 52.31 O ATOM 214 CB TYR A 14 11.363 6.791 4.432 1.00 41.31 C ATOM 215 CG TYR A 14 10.860 6.739 5.856 1.00 62.35 C ATOM 216 CD1 TYR A 14 11.619 7.251 6.902 1.00 43.15 C ATOM 217 CD2 TYR A 14 9.625 6.179 6.157 1.00 71.10 C ATOM 218 CE1 TYR A 14 11.165 7.204 8.205 1.00 14.01 C ATOM 219 CE2 TYR A 14 9.161 6.129 7.458 1.00 53.51 C ATOM 220 CZ TYR A 14 9.934 6.643 8.477 1.00 22.21 C ATOM 221 OH TYR A 14 9.476 6.596 9.775 1.00 11.11 O ATOM 0 H TYR A 14 11.636 4.507 5.375 1.00 13.44 H new ATOM 0 HA TYR A 14 12.784 5.856 3.117 1.00 51.32 H new ATOM 0 HB2 TYR A 14 11.586 7.826 4.172 1.00 41.31 H new ATOM 0 HB3 TYR A 14 10.569 6.458 3.763 1.00 41.31 H new ATOM 0 HD1 TYR A 14 12.581 7.694 6.692 1.00 43.15 H new ATOM 0 HD2 TYR A 14 9.017 5.776 5.361 1.00 71.10 H new ATOM 0 HE1 TYR A 14 11.769 7.604 9.006 1.00 14.01 H new ATOM 0 HE2 TYR A 14 8.198 5.690 7.675 1.00 53.51 H new ATOM 0 HH TYR A 14 8.593 6.171 9.795 1.00 11.11 H new ATOM 231 N ASN A 15 14.261 6.056 5.962 1.00 13.11 N ATOM 232 CA ASN A 15 15.414 6.594 6.674 1.00 72.33 C ATOM 233 C ASN A 15 16.700 6.340 5.893 1.00 20.52 C ATOM 234 O ASN A 15 16.810 5.357 5.161 1.00 44.31 O ATOM 235 CB ASN A 15 15.516 5.967 8.066 1.00 43.43 C ATOM 236 CG ASN A 15 15.411 6.999 9.174 1.00 42.32 C ATOM 237 OD1 ASN A 15 16.200 6.993 10.118 1.00 30.34 O ATOM 238 ND2 ASN A 15 14.432 7.890 9.060 1.00 24.40 N ATOM 0 H ASN A 15 13.833 5.243 6.406 1.00 13.11 H new ATOM 0 HA ASN A 15 15.279 7.671 6.777 1.00 72.33 H new ATOM 0 HB2 ASN A 15 14.725 5.226 8.187 1.00 43.43 H new ATOM 0 HB3 ASN A 15 16.465 5.438 8.155 1.00 43.43 H new ATOM 0 HD21 ASN A 15 14.311 8.609 9.774 1.00 24.40 H new ATOM 0 HD22 ASN A 15 13.802 7.855 8.259 1.00 24.40 H new ATOM 245 N SER A 16 17.671 7.232 6.059 1.00 15.43 N ATOM 246 CA SER A 16 18.949 7.109 5.367 1.00 54.03 C ATOM 247 C SER A 16 20.105 7.485 6.291 1.00 55.12 C ATOM 248 O SER A 16 19.893 7.982 7.397 1.00 71.34 O ATOM 249 CB SER A 16 18.968 7.996 4.122 1.00 2.44 C ATOM 250 OG SER A 16 19.400 7.271 2.985 1.00 14.31 O ATOM 0 H SER A 16 17.597 8.048 6.667 1.00 15.43 H new ATOM 0 HA SER A 16 19.071 6.069 5.064 1.00 54.03 H new ATOM 0 HB2 SER A 16 17.971 8.398 3.943 1.00 2.44 H new ATOM 0 HB3 SER A 16 19.630 8.846 4.288 1.00 2.44 H new ATOM 0 HG SER A 16 19.401 7.861 2.202 1.00 14.31 H new ATOM 256 N LEU A 17 21.325 7.243 5.827 1.00 42.04 N ATOM 257 CA LEU A 17 22.517 7.554 6.610 1.00 12.01 C ATOM 258 C LEU A 17 23.353 8.629 5.924 1.00 51.14 C ATOM 259 O LEU A 17 23.648 8.536 4.731 1.00 63.54 O ATOM 260 CB LEU A 17 23.357 6.293 6.820 1.00 62.20 C ATOM 261 CG LEU A 17 23.181 5.585 8.163 1.00 30.04 C ATOM 262 CD1 LEU A 17 23.597 6.497 9.307 1.00 12.45 C ATOM 263 CD2 LEU A 17 21.740 5.129 8.340 1.00 21.13 C ATOM 0 H LEU A 17 21.516 6.833 4.913 1.00 42.04 H new ATOM 0 HA LEU A 17 22.196 7.934 7.580 1.00 12.01 H new ATOM 0 HB2 LEU A 17 23.119 5.586 6.025 1.00 62.20 H new ATOM 0 HB3 LEU A 17 24.408 6.558 6.707 1.00 62.20 H new ATOM 0 HG LEU A 17 23.825 4.705 8.175 1.00 30.04 H new ATOM 0 HD11 LEU A 17 23.465 5.975 10.255 1.00 12.45 H new ATOM 0 HD12 LEU A 17 24.644 6.774 9.189 1.00 12.45 H new ATOM 0 HD13 LEU A 17 22.980 7.396 9.298 1.00 12.45 H new ATOM 0 HD21 LEU A 17 21.633 4.627 9.302 1.00 21.13 H new ATOM 0 HD22 LEU A 17 21.078 5.994 8.307 1.00 21.13 H new ATOM 0 HD23 LEU A 17 21.476 4.439 7.539 1.00 21.13 H new ATOM 275 N LYS A 18 23.737 9.648 6.684 1.00 22.45 N ATOM 276 CA LYS A 18 24.544 10.740 6.152 1.00 21.43 C ATOM 277 C LYS A 18 23.827 11.433 4.997 1.00 3.22 C ATOM 278 O LYS A 18 24.460 11.913 4.058 1.00 10.22 O ATOM 279 CB LYS A 18 25.902 10.216 5.681 1.00 73.40 C ATOM 280 CG LYS A 18 26.570 9.279 6.674 1.00 22.23 C ATOM 281 CD LYS A 18 28.034 9.629 6.872 1.00 44.40 C ATOM 282 CE LYS A 18 28.254 10.406 8.161 1.00 5.31 C ATOM 283 NZ LYS A 18 29.673 10.830 8.318 1.00 70.42 N ATOM 0 H LYS A 18 23.502 9.741 7.672 1.00 22.45 H new ATOM 0 HA LYS A 18 24.699 11.466 6.950 1.00 21.43 H new ATOM 0 HB2 LYS A 18 25.772 9.694 4.733 1.00 73.40 H new ATOM 0 HB3 LYS A 18 26.563 11.062 5.491 1.00 73.40 H new ATOM 0 HG2 LYS A 18 26.050 9.330 7.631 1.00 22.23 H new ATOM 0 HG3 LYS A 18 26.485 8.252 6.320 1.00 22.23 H new ATOM 0 HD2 LYS A 18 28.628 8.715 6.891 1.00 44.40 H new ATOM 0 HD3 LYS A 18 28.385 10.220 6.026 1.00 44.40 H new ATOM 0 HE2 LYS A 18 27.609 11.285 8.170 1.00 5.31 H new ATOM 0 HE3 LYS A 18 27.963 9.789 9.011 1.00 5.31 H new ATOM 0 HZ1 LYS A 18 29.782 11.356 9.208 1.00 70.42 H new ATOM 0 HZ2 LYS A 18 30.286 9.990 8.335 1.00 70.42 H new ATOM 0 HZ3 LYS A 18 29.943 11.440 7.520 1.00 70.42 H new ATOM 297 N LYS A 19 22.501 11.484 5.075 1.00 51.34 N ATOM 298 CA LYS A 19 21.697 12.121 4.039 1.00 43.12 C ATOM 299 C LYS A 19 22.183 13.541 3.769 1.00 21.24 C ATOM 300 O LYS A 19 22.899 14.128 4.581 1.00 60.24 O ATOM 301 CB LYS A 19 20.223 12.143 4.449 1.00 5.22 C ATOM 302 CG LYS A 19 19.985 12.741 5.826 1.00 74.12 C ATOM 303 CD LYS A 19 19.016 13.910 5.767 1.00 54.31 C ATOM 304 CE LYS A 19 18.577 14.341 7.157 1.00 33.15 C ATOM 305 NZ LYS A 19 17.185 13.903 7.460 1.00 24.31 N ATOM 0 H LYS A 19 21.961 11.091 5.846 1.00 51.34 H new ATOM 0 HA LYS A 19 21.803 11.540 3.123 1.00 43.12 H new ATOM 0 HB2 LYS A 19 19.658 12.713 3.712 1.00 5.22 H new ATOM 0 HB3 LYS A 19 19.834 11.125 4.432 1.00 5.22 H new ATOM 0 HG2 LYS A 19 19.591 11.974 6.493 1.00 74.12 H new ATOM 0 HG3 LYS A 19 20.933 13.074 6.248 1.00 74.12 H new ATOM 0 HD2 LYS A 19 19.488 14.750 5.257 1.00 54.31 H new ATOM 0 HD3 LYS A 19 18.142 13.630 5.179 1.00 54.31 H new ATOM 0 HE2 LYS A 19 19.258 13.924 7.899 1.00 33.15 H new ATOM 0 HE3 LYS A 19 18.642 15.426 7.238 1.00 33.15 H new ATOM 0 HZ1 LYS A 19 16.923 14.216 8.417 1.00 24.31 H new ATOM 0 HZ2 LYS A 19 16.531 14.321 6.768 1.00 24.31 H new ATOM 0 HZ3 LYS A 19 17.128 12.866 7.408 1.00 24.31 H new ATOM 319 N GLY A 20 21.786 14.092 2.625 1.00 64.52 N ATOM 320 CA GLY A 20 22.190 15.439 2.272 1.00 10.43 C ATOM 321 C GLY A 20 23.221 15.464 1.162 1.00 65.42 C ATOM 322 O GLY A 20 24.378 15.822 1.388 1.00 55.44 O ATOM 0 H GLY A 20 21.192 13.629 1.937 1.00 64.52 H new ATOM 0 HA2 GLY A 20 21.314 16.008 1.962 1.00 10.43 H new ATOM 0 HA3 GLY A 20 22.597 15.935 3.153 1.00 10.43 H new ATOM 326 N SER A 21 22.805 15.078 -0.039 1.00 53.34 N ATOM 327 CA SER A 21 23.704 15.052 -1.188 1.00 64.24 C ATOM 328 C SER A 21 23.059 15.717 -2.398 1.00 2.25 C ATOM 329 O SER A 21 23.463 16.805 -2.814 1.00 23.32 O ATOM 330 CB SER A 21 24.087 13.611 -1.529 1.00 61.44 C ATOM 331 OG SER A 21 25.141 13.153 -0.698 1.00 52.02 O ATOM 0 H SER A 21 21.851 14.779 -0.243 1.00 53.34 H new ATOM 0 HA SER A 21 24.604 15.609 -0.926 1.00 64.24 H new ATOM 0 HB2 SER A 21 23.219 12.963 -1.411 1.00 61.44 H new ATOM 0 HB3 SER A 21 24.391 13.550 -2.574 1.00 61.44 H new ATOM 0 HG SER A 21 25.366 12.229 -0.935 1.00 52.02 H new ATOM 337 N LEU A 22 22.053 15.058 -2.963 1.00 31.24 N ATOM 338 CA LEU A 22 21.348 15.585 -4.127 1.00 23.44 C ATOM 339 C LEU A 22 20.183 14.681 -4.514 1.00 11.55 C ATOM 340 O LEU A 22 20.022 13.590 -3.968 1.00 1.43 O ATOM 341 CB LEU A 22 22.311 15.729 -5.307 1.00 71.43 C ATOM 342 CG LEU A 22 22.496 17.145 -5.853 1.00 53.53 C ATOM 343 CD1 LEU A 22 23.911 17.333 -6.378 1.00 5.14 C ATOM 344 CD2 LEU A 22 21.478 17.431 -6.949 1.00 30.45 C ATOM 0 H LEU A 22 21.707 14.157 -2.634 1.00 31.24 H new ATOM 0 HA LEU A 22 20.950 16.566 -3.867 1.00 23.44 H new ATOM 0 HB2 LEU A 22 23.286 15.348 -5.003 1.00 71.43 H new ATOM 0 HB3 LEU A 22 21.958 15.092 -6.118 1.00 71.43 H new ATOM 0 HG LEU A 22 22.334 17.852 -5.039 1.00 53.53 H new ATOM 0 HD11 LEU A 22 24.025 18.346 -6.763 1.00 5.14 H new ATOM 0 HD12 LEU A 22 24.624 17.170 -5.570 1.00 5.14 H new ATOM 0 HD13 LEU A 22 24.100 16.618 -7.178 1.00 5.14 H new ATOM 0 HD21 LEU A 22 21.624 18.443 -7.326 1.00 30.45 H new ATOM 0 HD22 LEU A 22 21.610 16.718 -7.763 1.00 30.45 H new ATOM 0 HD23 LEU A 22 20.471 17.337 -6.543 1.00 30.45 H new ATOM 356 N VAL A 23 19.372 15.144 -5.460 1.00 53.13 N ATOM 357 CA VAL A 23 18.222 14.376 -5.924 1.00 73.42 C ATOM 358 C VAL A 23 18.134 14.381 -7.446 1.00 22.40 C ATOM 359 O VAL A 23 17.245 15.006 -8.024 1.00 15.11 O ATOM 360 CB VAL A 23 16.907 14.928 -5.342 1.00 61.23 C ATOM 361 CG1 VAL A 23 16.779 14.562 -3.871 1.00 4.34 C ATOM 362 CG2 VAL A 23 16.832 16.434 -5.535 1.00 54.20 C ATOM 0 H VAL A 23 19.490 16.047 -5.920 1.00 53.13 H new ATOM 0 HA VAL A 23 18.364 13.353 -5.576 1.00 73.42 H new ATOM 0 HB VAL A 23 16.073 14.474 -5.877 1.00 61.23 H new ATOM 0 HG11 VAL A 23 15.844 14.960 -3.477 1.00 4.34 H new ATOM 0 HG12 VAL A 23 16.785 13.477 -3.764 1.00 4.34 H new ATOM 0 HG13 VAL A 23 17.616 14.986 -3.316 1.00 4.34 H new ATOM 0 HG21 VAL A 23 15.897 16.808 -5.118 1.00 54.20 H new ATOM 0 HG22 VAL A 23 17.671 16.908 -5.026 1.00 54.20 H new ATOM 0 HG23 VAL A 23 16.874 16.667 -6.599 1.00 54.20 H new ATOM 372 N LYS A 24 19.062 13.681 -8.090 1.00 34.24 N ATOM 373 CA LYS A 24 19.088 13.604 -9.545 1.00 64.14 C ATOM 374 C LYS A 24 18.072 12.587 -10.055 1.00 2.32 C ATOM 375 O LYS A 24 18.159 11.400 -9.749 1.00 25.04 O ATOM 376 CB LYS A 24 20.491 13.225 -10.029 1.00 15.40 C ATOM 377 CG LYS A 24 21.120 14.262 -10.944 1.00 34.43 C ATOM 378 CD LYS A 24 21.859 15.327 -10.154 1.00 13.34 C ATOM 379 CE LYS A 24 21.627 16.714 -10.734 1.00 11.44 C ATOM 380 NZ LYS A 24 22.338 16.898 -12.030 1.00 62.54 N ATOM 0 H LYS A 24 19.806 13.159 -7.627 1.00 34.24 H new ATOM 0 HA LYS A 24 18.824 14.584 -9.941 1.00 64.14 H new ATOM 0 HB2 LYS A 24 21.137 13.077 -9.164 1.00 15.40 H new ATOM 0 HB3 LYS A 24 20.439 12.272 -10.555 1.00 15.40 H new ATOM 0 HG2 LYS A 24 21.811 13.772 -11.630 1.00 34.43 H new ATOM 0 HG3 LYS A 24 20.345 14.730 -11.552 1.00 34.43 H new ATOM 0 HD2 LYS A 24 21.528 15.306 -9.116 1.00 13.34 H new ATOM 0 HD3 LYS A 24 22.926 15.106 -10.153 1.00 13.34 H new ATOM 0 HE2 LYS A 24 20.559 16.873 -10.880 1.00 11.44 H new ATOM 0 HE3 LYS A 24 21.967 17.467 -10.023 1.00 11.44 H new ATOM 0 HZ1 LYS A 24 22.155 17.855 -12.393 1.00 62.54 H new ATOM 0 HZ2 LYS A 24 23.360 16.771 -11.886 1.00 62.54 H new ATOM 0 HZ3 LYS A 24 21.995 16.196 -12.717 1.00 62.54 H new ATOM 394 N ASN A 25 17.107 13.063 -10.836 1.00 21.11 N ATOM 395 CA ASN A 25 16.074 12.196 -11.389 1.00 44.41 C ATOM 396 C ASN A 25 15.920 12.422 -12.890 1.00 11.31 C ATOM 397 O ASN A 25 16.565 13.299 -13.467 1.00 65.41 O ATOM 398 CB ASN A 25 14.739 12.446 -10.685 1.00 35.11 C ATOM 399 CG ASN A 25 14.254 11.231 -9.917 1.00 3.53 C ATOM 400 OD1 ASN A 25 13.276 10.590 -10.301 1.00 10.32 O ATOM 401 ND2 ASN A 25 14.938 10.909 -8.826 1.00 5.02 N ATOM 0 H ASN A 25 17.020 14.044 -11.100 1.00 21.11 H new ATOM 0 HA ASN A 25 16.376 11.162 -11.224 1.00 44.41 H new ATOM 0 HB2 ASN A 25 14.845 13.287 -10.000 1.00 35.11 H new ATOM 0 HB3 ASN A 25 13.989 12.729 -11.424 1.00 35.11 H new ATOM 0 HD21 ASN A 25 14.659 10.102 -8.269 1.00 5.02 H new ATOM 0 HD22 ASN A 25 15.743 11.469 -8.545 1.00 5.02 H new ATOM 408 N LEU A 26 15.060 11.627 -13.517 1.00 60.10 N ATOM 409 CA LEU A 26 14.820 11.741 -14.952 1.00 14.01 C ATOM 410 C LEU A 26 14.075 13.030 -15.279 1.00 3.50 C ATOM 411 O LEU A 26 13.857 13.872 -14.407 1.00 24.12 O ATOM 412 CB LEU A 26 14.021 10.535 -15.451 1.00 20.12 C ATOM 413 CG LEU A 26 14.630 9.162 -15.171 1.00 62.54 C ATOM 414 CD1 LEU A 26 13.626 8.266 -14.461 1.00 12.23 C ATOM 415 CD2 LEU A 26 15.106 8.514 -16.463 1.00 52.03 C ATOM 0 H LEU A 26 14.518 10.897 -13.055 1.00 60.10 H new ATOM 0 HA LEU A 26 15.786 11.764 -15.457 1.00 14.01 H new ATOM 0 HB2 LEU A 26 13.030 10.569 -14.999 1.00 20.12 H new ATOM 0 HB3 LEU A 26 13.884 10.636 -16.528 1.00 20.12 H new ATOM 0 HG LEU A 26 15.492 9.296 -14.517 1.00 62.54 H new ATOM 0 HD11 LEU A 26 14.078 7.293 -14.270 1.00 12.23 H new ATOM 0 HD12 LEU A 26 13.336 8.723 -13.515 1.00 12.23 H new ATOM 0 HD13 LEU A 26 12.744 8.139 -15.089 1.00 12.23 H new ATOM 0 HD21 LEU A 26 15.537 7.537 -16.243 1.00 52.03 H new ATOM 0 HD22 LEU A 26 14.262 8.394 -17.142 1.00 52.03 H new ATOM 0 HD23 LEU A 26 15.861 9.146 -16.931 1.00 52.03 H new ATOM 427 N HIS A 27 13.683 13.178 -16.540 1.00 5.10 N ATOM 428 CA HIS A 27 12.960 14.364 -16.982 1.00 12.14 C ATOM 429 C HIS A 27 11.465 14.080 -17.094 1.00 61.23 C ATOM 430 O HIS A 27 10.670 14.556 -16.285 1.00 71.33 O ATOM 431 CB HIS A 27 13.501 14.847 -18.329 1.00 44.33 C ATOM 432 CG HIS A 27 14.273 16.127 -18.241 1.00 74.14 C ATOM 433 ND1 HIS A 27 14.179 17.128 -19.185 1.00 43.02 N ATOM 434 CD2 HIS A 27 15.155 16.567 -17.315 1.00 31.14 C ATOM 435 CE1 HIS A 27 14.971 18.128 -18.842 1.00 23.33 C ATOM 436 NE2 HIS A 27 15.574 17.813 -17.710 1.00 11.44 N ATOM 0 H HIS A 27 13.854 12.491 -17.274 1.00 5.10 H new ATOM 0 HA HIS A 27 13.109 15.146 -16.238 1.00 12.14 H new ATOM 0 HB2 HIS A 27 14.143 14.074 -18.752 1.00 44.33 H new ATOM 0 HB3 HIS A 27 12.668 14.982 -19.019 1.00 44.33 H new ATOM 0 HD2 HIS A 27 15.471 16.036 -16.429 1.00 31.14 H new ATOM 0 HE1 HIS A 27 15.103 19.047 -19.394 1.00 23.33 H new ATOM 0 HE2 HIS A 27 16.242 18.400 -17.211 1.00 11.44 H new ATOM 445 N MET A 28 11.090 13.300 -18.104 1.00 31.13 N ATOM 446 CA MET A 28 9.691 12.951 -18.320 1.00 70.14 C ATOM 447 C MET A 28 9.567 11.785 -19.295 1.00 73.43 C ATOM 448 O MET A 28 9.798 11.936 -20.495 1.00 21.30 O ATOM 449 CB MET A 28 8.919 14.159 -18.853 1.00 31.15 C ATOM 450 CG MET A 28 9.556 14.797 -20.076 1.00 10.02 C ATOM 451 SD MET A 28 8.886 16.432 -20.436 1.00 10.12 S ATOM 452 CE MET A 28 8.257 16.183 -22.094 1.00 33.34 C ATOM 0 H MET A 28 11.735 12.899 -18.784 1.00 31.13 H new ATOM 0 HA MET A 28 9.265 12.649 -17.363 1.00 70.14 H new ATOM 0 HB2 MET A 28 7.904 13.850 -19.102 1.00 31.15 H new ATOM 0 HB3 MET A 28 8.840 14.906 -18.063 1.00 31.15 H new ATOM 0 HG2 MET A 28 10.632 14.876 -19.921 1.00 10.02 H new ATOM 0 HG3 MET A 28 9.405 14.149 -20.939 1.00 10.02 H new ATOM 0 HE1 MET A 28 7.810 17.109 -22.456 1.00 33.34 H new ATOM 0 HE2 MET A 28 9.075 15.892 -22.754 1.00 33.34 H new ATOM 0 HE3 MET A 28 7.503 15.396 -22.083 1.00 33.34 H new ATOM 462 N THR A 29 9.200 10.617 -18.772 1.00 2.15 N ATOM 463 CA THR A 29 9.045 9.426 -19.594 1.00 40.34 C ATOM 464 C THR A 29 8.150 8.399 -18.912 1.00 62.41 C ATOM 465 O THR A 29 8.392 7.195 -18.999 1.00 33.33 O ATOM 466 CB THR A 29 10.408 8.776 -19.903 1.00 22.41 C ATOM 467 OG1 THR A 29 11.390 9.789 -20.152 1.00 1.14 O ATOM 468 CG2 THR A 29 10.308 7.854 -21.108 1.00 42.30 C ATOM 0 H THR A 29 9.005 10.473 -17.781 1.00 2.15 H new ATOM 0 HA THR A 29 8.581 9.745 -20.527 1.00 40.34 H new ATOM 0 HB THR A 29 10.707 8.185 -19.037 1.00 22.41 H new ATOM 0 HG1 THR A 29 10.983 10.521 -20.660 1.00 1.14 H new ATOM 0 HG21 THR A 29 11.282 7.407 -21.306 1.00 42.30 H new ATOM 0 HG22 THR A 29 9.582 7.066 -20.904 1.00 42.30 H new ATOM 0 HG23 THR A 29 9.987 8.426 -21.978 1.00 42.30 H new ATOM 476 N GLU A 30 7.113 8.882 -18.234 1.00 51.24 N ATOM 477 CA GLU A 30 6.181 8.004 -17.537 1.00 14.23 C ATOM 478 C GLU A 30 5.053 8.807 -16.896 1.00 31.32 C ATOM 479 O GLU A 30 5.257 9.937 -16.452 1.00 62.43 O ATOM 480 CB GLU A 30 6.913 7.190 -16.468 1.00 41.34 C ATOM 481 CG GLU A 30 7.114 5.732 -16.846 1.00 64.41 C ATOM 482 CD GLU A 30 8.477 5.205 -16.434 1.00 53.33 C ATOM 483 OE1 GLU A 30 8.906 5.495 -15.299 1.00 21.13 O ATOM 484 OE2 GLU A 30 9.110 4.502 -17.249 1.00 62.30 O ATOM 0 H GLU A 30 6.898 9.876 -18.153 1.00 51.24 H new ATOM 0 HA GLU A 30 5.748 7.322 -18.269 1.00 14.23 H new ATOM 0 HB2 GLU A 30 7.885 7.645 -16.279 1.00 41.34 H new ATOM 0 HB3 GLU A 30 6.350 7.241 -15.536 1.00 41.34 H new ATOM 0 HG2 GLU A 30 6.338 5.128 -16.376 1.00 64.41 H new ATOM 0 HG3 GLU A 30 6.996 5.620 -17.924 1.00 64.41 H new ATOM 491 N GLU A 31 3.864 8.215 -16.851 1.00 72.25 N ATOM 492 CA GLU A 31 2.703 8.876 -16.266 1.00 24.10 C ATOM 493 C GLU A 31 1.783 7.864 -15.590 1.00 44.03 C ATOM 494 O GLU A 31 0.785 7.434 -16.167 1.00 41.23 O ATOM 495 CB GLU A 31 1.932 9.647 -17.338 1.00 72.21 C ATOM 496 CG GLU A 31 0.651 10.286 -16.828 1.00 62.13 C ATOM 497 CD GLU A 31 0.291 11.551 -17.579 1.00 10.34 C ATOM 498 OE1 GLU A 31 0.679 11.672 -18.759 1.00 15.42 O ATOM 499 OE2 GLU A 31 -0.380 12.423 -16.987 1.00 35.23 O ATOM 0 H GLU A 31 3.679 7.279 -17.212 1.00 72.25 H new ATOM 0 HA GLU A 31 3.059 9.577 -15.511 1.00 24.10 H new ATOM 0 HB2 GLU A 31 2.577 10.424 -17.749 1.00 72.21 H new ATOM 0 HB3 GLU A 31 1.689 8.969 -18.156 1.00 72.21 H new ATOM 0 HG2 GLU A 31 -0.167 9.571 -16.916 1.00 62.13 H new ATOM 0 HG3 GLU A 31 0.761 10.516 -15.768 1.00 62.13 H new ATOM 506 N VAL A 32 2.128 7.486 -14.362 1.00 4.33 N ATOM 507 CA VAL A 32 1.334 6.525 -13.606 1.00 14.41 C ATOM 508 C VAL A 32 0.577 7.208 -12.473 1.00 51.33 C ATOM 509 O VAL A 32 0.963 8.283 -12.014 1.00 55.25 O ATOM 510 CB VAL A 32 2.216 5.407 -13.019 1.00 51.43 C ATOM 511 CG1 VAL A 32 1.355 4.258 -12.517 1.00 63.33 C ATOM 512 CG2 VAL A 32 3.217 4.919 -14.056 1.00 3.24 C ATOM 0 H VAL A 32 2.952 7.831 -13.870 1.00 4.33 H new ATOM 0 HA VAL A 32 0.620 6.086 -14.303 1.00 14.41 H new ATOM 0 HB VAL A 32 2.771 5.812 -12.173 1.00 51.43 H new ATOM 0 HG11 VAL A 32 1.994 3.477 -12.106 1.00 63.33 H new ATOM 0 HG12 VAL A 32 0.680 4.621 -11.741 1.00 63.33 H new ATOM 0 HG13 VAL A 32 0.772 3.852 -13.344 1.00 63.33 H new ATOM 0 HG21 VAL A 32 3.832 4.129 -13.625 1.00 3.24 H new ATOM 0 HG22 VAL A 32 2.683 4.530 -14.923 1.00 3.24 H new ATOM 0 HG23 VAL A 32 3.854 5.748 -14.365 1.00 3.24 H new ATOM 522 N ILE A 33 -0.504 6.577 -12.027 1.00 52.01 N ATOM 523 CA ILE A 33 -1.316 7.122 -10.946 1.00 50.21 C ATOM 524 C ILE A 33 -1.772 6.024 -9.993 1.00 14.23 C ATOM 525 O ILE A 33 -2.223 4.962 -10.422 1.00 43.23 O ATOM 526 CB ILE A 33 -2.552 7.863 -11.488 1.00 1.30 C ATOM 527 CG1 ILE A 33 -2.132 9.150 -12.201 1.00 34.40 C ATOM 528 CG2 ILE A 33 -3.523 8.169 -10.359 1.00 34.14 C ATOM 529 CD1 ILE A 33 -3.281 9.878 -12.863 1.00 4.24 C ATOM 0 H ILE A 33 -0.838 5.687 -12.398 1.00 52.01 H new ATOM 0 HA ILE A 33 -0.687 7.830 -10.406 1.00 50.21 H new ATOM 0 HB ILE A 33 -3.055 7.219 -12.209 1.00 1.30 H new ATOM 0 HG12 ILE A 33 -1.657 9.816 -11.481 1.00 34.40 H new ATOM 0 HG13 ILE A 33 -1.382 8.910 -12.955 1.00 34.40 H new ATOM 0 HG21 ILE A 33 -4.392 8.693 -10.758 1.00 34.14 H new ATOM 0 HG22 ILE A 33 -3.844 7.238 -9.893 1.00 34.14 H new ATOM 0 HG23 ILE A 33 -3.031 8.796 -9.616 1.00 34.14 H new ATOM 0 HD11 ILE A 33 -2.909 10.780 -13.348 1.00 4.24 H new ATOM 0 HD12 ILE A 33 -3.742 9.229 -13.608 1.00 4.24 H new ATOM 0 HD13 ILE A 33 -4.021 10.150 -12.111 1.00 4.24 H new ATOM 541 N VAL A 34 -1.656 6.288 -8.696 1.00 70.21 N ATOM 542 CA VAL A 34 -2.060 5.322 -7.679 1.00 53.42 C ATOM 543 C VAL A 34 -3.289 5.807 -6.919 1.00 5.41 C ATOM 544 O VAL A 34 -3.617 6.994 -6.942 1.00 54.42 O ATOM 545 CB VAL A 34 -0.922 5.052 -6.677 1.00 40.25 C ATOM 546 CG1 VAL A 34 -0.798 6.201 -5.688 1.00 4.23 C ATOM 547 CG2 VAL A 34 -1.152 3.735 -5.952 1.00 64.42 C ATOM 0 H VAL A 34 -1.286 7.162 -8.323 1.00 70.21 H new ATOM 0 HA VAL A 34 -2.301 4.395 -8.200 1.00 53.42 H new ATOM 0 HB VAL A 34 0.015 4.977 -7.229 1.00 40.25 H new ATOM 0 HG11 VAL A 34 0.011 5.993 -4.988 1.00 4.23 H new ATOM 0 HG12 VAL A 34 -0.583 7.124 -6.227 1.00 4.23 H new ATOM 0 HG13 VAL A 34 -1.733 6.311 -5.139 1.00 4.23 H new ATOM 0 HG21 VAL A 34 -0.338 3.560 -5.248 1.00 64.42 H new ATOM 0 HG22 VAL A 34 -2.097 3.778 -5.411 1.00 64.42 H new ATOM 0 HG23 VAL A 34 -1.186 2.922 -6.677 1.00 64.42 H new ATOM 557 N ILE A 35 -3.962 4.882 -6.243 1.00 13.35 N ATOM 558 CA ILE A 35 -5.154 5.216 -5.473 1.00 71.03 C ATOM 559 C ILE A 35 -5.007 4.783 -4.018 1.00 72.32 C ATOM 560 O ILE A 35 -4.690 3.628 -3.733 1.00 32.14 O ATOM 561 CB ILE A 35 -6.412 4.558 -6.069 1.00 41.44 C ATOM 562 CG1 ILE A 35 -6.367 4.612 -7.597 1.00 52.41 C ATOM 563 CG2 ILE A 35 -7.666 5.241 -5.546 1.00 0.00 C ATOM 564 CD1 ILE A 35 -6.245 6.015 -8.149 1.00 23.35 C ATOM 0 H ILE A 35 -3.702 3.896 -6.213 1.00 13.35 H new ATOM 0 HA ILE A 35 -5.266 6.299 -5.518 1.00 71.03 H new ATOM 0 HB ILE A 35 -6.437 3.512 -5.762 1.00 41.44 H new ATOM 0 HG12 ILE A 35 -5.524 4.017 -7.949 1.00 52.41 H new ATOM 0 HG13 ILE A 35 -7.271 4.151 -7.996 1.00 52.41 H new ATOM 0 HG21 ILE A 35 -8.547 4.764 -5.977 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.701 5.155 -4.460 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.650 6.294 -5.826 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.219 5.977 -9.238 1.00 23.35 H new ATOM 0 HD12 ILE A 35 -7.101 6.608 -7.827 1.00 23.35 H new ATOM 0 HD13 ILE A 35 -5.327 6.473 -7.780 1.00 23.35 H new ATOM 576 N ALA A 36 -5.243 5.717 -3.102 1.00 45.44 N ATOM 577 CA ALA A 36 -5.140 5.431 -1.676 1.00 40.13 C ATOM 578 C ALA A 36 -6.290 4.546 -1.210 1.00 33.01 C ATOM 579 O ALA A 36 -7.448 4.964 -1.210 1.00 53.01 O ATOM 580 CB ALA A 36 -5.111 6.726 -0.879 1.00 62.14 C ATOM 0 H ALA A 36 -5.507 6.677 -3.322 1.00 45.44 H new ATOM 0 HA ALA A 36 -4.209 4.891 -1.505 1.00 40.13 H new ATOM 0 HB1 ALA A 36 -5.034 6.497 0.184 1.00 62.14 H new ATOM 0 HB2 ALA A 36 -4.252 7.322 -1.185 1.00 62.14 H new ATOM 0 HB3 ALA A 36 -6.027 7.288 -1.064 1.00 62.14 H new ATOM 586 N LYS A 37 -5.966 3.320 -0.815 1.00 21.54 N ATOM 587 CA LYS A 37 -6.973 2.374 -0.345 1.00 40.54 C ATOM 588 C LYS A 37 -7.685 2.909 0.892 1.00 60.00 C ATOM 589 O LYS A 37 -8.856 2.609 1.123 1.00 33.21 O ATOM 590 CB LYS A 37 -6.326 1.024 -0.031 1.00 50.12 C ATOM 591 CG LYS A 37 -5.535 0.444 -1.191 1.00 11.20 C ATOM 592 CD LYS A 37 -5.425 -1.068 -1.092 1.00 13.02 C ATOM 593 CE LYS A 37 -4.066 -1.495 -0.560 1.00 22.00 C ATOM 594 NZ LYS A 37 -3.362 -2.407 -1.503 1.00 1.13 N ATOM 0 H LYS A 37 -5.013 2.957 -0.811 1.00 21.54 H new ATOM 0 HA LYS A 37 -7.710 2.241 -1.137 1.00 40.54 H new ATOM 0 HB2 LYS A 37 -5.664 1.139 0.828 1.00 50.12 H new ATOM 0 HB3 LYS A 37 -7.103 0.316 0.258 1.00 50.12 H new ATOM 0 HG2 LYS A 37 -6.016 0.714 -2.131 1.00 11.20 H new ATOM 0 HG3 LYS A 37 -4.537 0.882 -1.207 1.00 11.20 H new ATOM 0 HD2 LYS A 37 -6.209 -1.449 -0.437 1.00 13.02 H new ATOM 0 HD3 LYS A 37 -5.588 -1.511 -2.075 1.00 13.02 H new ATOM 0 HE2 LYS A 37 -3.452 -0.612 -0.382 1.00 22.00 H new ATOM 0 HE3 LYS A 37 -4.193 -1.994 0.401 1.00 22.00 H new ATOM 0 HZ1 LYS A 37 -2.788 -3.087 -0.965 1.00 1.13 H new ATOM 0 HZ2 LYS A 37 -4.061 -2.921 -2.076 1.00 1.13 H new ATOM 0 HZ3 LYS A 37 -2.744 -1.851 -2.128 1.00 1.13 H new ATOM 608 N TRP A 38 -6.972 3.702 1.684 1.00 41.14 N ATOM 609 CA TRP A 38 -7.538 4.279 2.898 1.00 24.13 C ATOM 610 C TRP A 38 -6.997 5.686 3.135 1.00 71.25 C ATOM 611 O TRP A 38 -6.242 6.215 2.321 1.00 60.22 O ATOM 612 CB TRP A 38 -7.226 3.390 4.103 1.00 72.12 C ATOM 613 CG TRP A 38 -7.137 1.934 3.759 1.00 30.15 C ATOM 614 CD1 TRP A 38 -5.999 1.195 3.612 1.00 3.35 C ATOM 615 CD2 TRP A 38 -8.230 1.042 3.518 1.00 12.12 C ATOM 616 NE1 TRP A 38 -6.318 -0.103 3.294 1.00 32.32 N ATOM 617 CE2 TRP A 38 -7.682 -0.223 3.232 1.00 45.15 C ATOM 618 CE3 TRP A 38 -9.621 1.188 3.520 1.00 10.42 C ATOM 619 CZ2 TRP A 38 -8.475 -1.332 2.947 1.00 22.04 C ATOM 620 CZ3 TRP A 38 -10.406 0.086 3.236 1.00 35.12 C ATOM 621 CH2 TRP A 38 -9.831 -1.159 2.955 1.00 34.21 C ATOM 0 H TRP A 38 -6.001 3.960 1.507 1.00 41.14 H new ATOM 0 HA TRP A 38 -8.619 4.342 2.772 1.00 24.13 H new ATOM 0 HB2 TRP A 38 -6.283 3.710 4.547 1.00 72.12 H new ATOM 0 HB3 TRP A 38 -7.998 3.531 4.859 1.00 72.12 H new ATOM 0 HD1 TRP A 38 -4.995 1.575 3.729 1.00 3.35 H new ATOM 0 HE1 TRP A 38 -5.649 -0.855 3.131 1.00 32.32 H new ATOM 0 HE3 TRP A 38 -10.073 2.144 3.739 1.00 10.42 H new ATOM 0 HZ2 TRP A 38 -8.035 -2.293 2.728 1.00 22.04 H new ATOM 0 HZ3 TRP A 38 -11.481 0.187 3.231 1.00 35.12 H new ATOM 0 HH2 TRP A 38 -10.472 -2.001 2.740 1.00 34.21 H new ATOM 632 N ASP A 39 -7.389 6.284 4.253 1.00 33.44 N ATOM 633 CA ASP A 39 -6.944 7.629 4.599 1.00 40.31 C ATOM 634 C ASP A 39 -5.889 7.586 5.700 1.00 30.12 C ATOM 635 O ASP A 39 -6.179 7.211 6.837 1.00 42.42 O ATOM 636 CB ASP A 39 -8.131 8.484 5.044 1.00 1.33 C ATOM 637 CG ASP A 39 -9.446 7.736 4.966 1.00 72.55 C ATOM 638 OD1 ASP A 39 -10.294 8.109 4.129 1.00 43.34 O ATOM 639 OD2 ASP A 39 -9.628 6.774 5.742 1.00 25.22 O ATOM 0 H ASP A 39 -8.015 5.859 4.937 1.00 33.44 H new ATOM 0 HA ASP A 39 -6.498 8.077 3.711 1.00 40.31 H new ATOM 0 HB2 ASP A 39 -7.968 8.821 6.068 1.00 1.33 H new ATOM 0 HB3 ASP A 39 -8.186 9.376 4.420 1.00 1.33 H new ATOM 645 N TYR A 40 -4.666 7.971 5.356 1.00 44.41 N ATOM 646 CA TYR A 40 -3.567 7.975 6.315 1.00 41.44 C ATOM 647 C TYR A 40 -2.919 9.353 6.396 1.00 54.10 C ATOM 648 O TYR A 40 -2.750 10.034 5.385 1.00 43.24 O ATOM 649 CB TYR A 40 -2.521 6.929 5.924 1.00 63.25 C ATOM 650 CG TYR A 40 -2.065 6.067 7.082 1.00 51.43 C ATOM 651 CD1 TYR A 40 -2.981 5.361 7.850 1.00 2.10 C ATOM 652 CD2 TYR A 40 -0.718 5.960 7.404 1.00 13.35 C ATOM 653 CE1 TYR A 40 -2.569 4.574 8.908 1.00 71.24 C ATOM 654 CE2 TYR A 40 -0.297 5.175 8.459 1.00 61.55 C ATOM 655 CZ TYR A 40 -1.226 4.483 9.209 1.00 10.15 C ATOM 656 OH TYR A 40 -0.811 3.699 10.261 1.00 14.44 O ATOM 0 H TYR A 40 -4.410 8.285 4.420 1.00 44.41 H new ATOM 0 HA TYR A 40 -3.972 7.727 7.296 1.00 41.44 H new ATOM 0 HB2 TYR A 40 -2.934 6.288 5.145 1.00 63.25 H new ATOM 0 HB3 TYR A 40 -1.656 7.435 5.495 1.00 63.25 H new ATOM 0 HD1 TYR A 40 -4.033 5.428 7.616 1.00 2.10 H new ATOM 0 HD2 TYR A 40 0.012 6.500 6.819 1.00 13.35 H new ATOM 0 HE1 TYR A 40 -3.295 4.033 9.497 1.00 71.24 H new ATOM 0 HE2 TYR A 40 0.754 5.103 8.696 1.00 61.55 H new ATOM 0 HH TYR A 40 0.165 3.744 10.337 1.00 14.44 H new ATOM 666 N THR A 41 -2.557 9.757 7.610 1.00 12.34 N ATOM 667 CA THR A 41 -1.927 11.054 7.827 1.00 31.43 C ATOM 668 C THR A 41 -0.410 10.924 7.896 1.00 32.35 C ATOM 669 O THR A 41 0.116 10.042 8.572 1.00 22.33 O ATOM 670 CB THR A 41 -2.435 11.714 9.122 1.00 24.31 C ATOM 671 OG1 THR A 41 -3.677 11.124 9.521 1.00 55.00 O ATOM 672 CG2 THR A 41 -2.619 13.213 8.931 1.00 43.23 C ATOM 0 H THR A 41 -2.689 9.205 8.457 1.00 12.34 H new ATOM 0 HA THR A 41 -2.196 11.683 6.978 1.00 31.43 H new ATOM 0 HB THR A 41 -1.690 11.551 9.901 1.00 24.31 H new ATOM 0 HG1 THR A 41 -3.991 11.549 10.346 1.00 55.00 H new ATOM 0 HG21 THR A 41 -2.978 13.657 9.859 1.00 43.23 H new ATOM 0 HG22 THR A 41 -1.665 13.665 8.658 1.00 43.23 H new ATOM 0 HG23 THR A 41 -3.345 13.392 8.138 1.00 43.23 H new ATOM 680 N ALA A 42 0.287 11.810 7.194 1.00 44.43 N ATOM 681 CA ALA A 42 1.745 11.796 7.177 1.00 35.42 C ATOM 682 C ALA A 42 2.310 11.878 8.590 1.00 62.12 C ATOM 683 O ALA A 42 2.298 12.940 9.212 1.00 74.34 O ATOM 684 CB ALA A 42 2.275 12.941 6.328 1.00 13.33 C ATOM 0 H ALA A 42 -0.134 12.547 6.629 1.00 44.43 H new ATOM 0 HA ALA A 42 2.069 10.853 6.737 1.00 35.42 H new ATOM 0 HB1 ALA A 42 3.365 12.918 6.325 1.00 13.33 H new ATOM 0 HB2 ALA A 42 1.907 12.838 5.307 1.00 13.33 H new ATOM 0 HB3 ALA A 42 1.934 13.890 6.743 1.00 13.33 H new ATOM 690 N GLN A 43 2.802 10.750 9.092 1.00 64.40 N ATOM 691 CA GLN A 43 3.371 10.695 10.435 1.00 54.12 C ATOM 692 C GLN A 43 4.764 11.315 10.461 1.00 4.55 C ATOM 693 O GLN A 43 5.121 12.019 11.407 1.00 52.42 O ATOM 694 CB GLN A 43 3.435 9.247 10.924 1.00 20.24 C ATOM 695 CG GLN A 43 2.202 8.432 10.575 1.00 74.33 C ATOM 696 CD GLN A 43 2.455 7.442 9.455 1.00 20.31 C ATOM 697 OE1 GLN A 43 3.329 6.581 9.559 1.00 73.15 O ATOM 698 NE2 GLN A 43 1.689 7.558 8.377 1.00 53.05 N ATOM 0 H GLN A 43 2.818 9.862 8.590 1.00 64.40 H new ATOM 0 HA GLN A 43 2.726 11.268 11.101 1.00 54.12 H new ATOM 0 HB2 GLN A 43 4.313 8.765 10.493 1.00 20.24 H new ATOM 0 HB3 GLN A 43 3.568 9.243 12.006 1.00 20.24 H new ATOM 0 HG2 GLN A 43 1.864 7.894 11.461 1.00 74.33 H new ATOM 0 HG3 GLN A 43 1.396 9.106 10.284 1.00 74.33 H new ATOM 0 HE21 GLN A 43 0.977 8.287 8.334 1.00 53.05 H new ATOM 0 HE22 GLN A 43 1.813 6.918 7.592 1.00 53.05 H new ATOM 707 N GLN A 44 5.545 11.050 9.420 1.00 0.21 N ATOM 708 CA GLN A 44 6.899 11.582 9.326 1.00 12.30 C ATOM 709 C GLN A 44 6.913 12.906 8.568 1.00 31.32 C ATOM 710 O GLN A 44 5.860 13.452 8.233 1.00 24.41 O ATOM 711 CB GLN A 44 7.818 10.575 8.632 1.00 24.34 C ATOM 712 CG GLN A 44 7.544 9.131 9.021 1.00 14.55 C ATOM 713 CD GLN A 44 7.909 8.836 10.461 1.00 61.44 C ATOM 714 OE1 GLN A 44 8.924 9.315 10.969 1.00 52.55 O ATOM 715 NE2 GLN A 44 7.081 8.043 11.131 1.00 64.23 N ATOM 0 H GLN A 44 5.264 10.470 8.629 1.00 0.21 H new ATOM 0 HA GLN A 44 7.263 11.759 10.338 1.00 12.30 H new ATOM 0 HB2 GLN A 44 7.707 10.679 7.553 1.00 24.34 H new ATOM 0 HB3 GLN A 44 8.854 10.816 8.871 1.00 24.34 H new ATOM 0 HG2 GLN A 44 6.488 8.911 8.865 1.00 14.55 H new ATOM 0 HG3 GLN A 44 8.108 8.468 8.364 1.00 14.55 H new ATOM 0 HE21 GLN A 44 6.251 7.668 10.672 1.00 64.23 H new ATOM 0 HE22 GLN A 44 7.275 7.809 12.105 1.00 64.23 H new ATOM 724 N ASP A 45 8.110 13.417 8.301 1.00 32.04 N ATOM 725 CA ASP A 45 8.260 14.678 7.584 1.00 74.13 C ATOM 726 C ASP A 45 8.377 14.437 6.082 1.00 55.21 C ATOM 727 O ASP A 45 8.130 15.336 5.279 1.00 73.45 O ATOM 728 CB ASP A 45 9.489 15.434 8.089 1.00 64.15 C ATOM 729 CG ASP A 45 10.768 14.978 7.412 1.00 74.31 C ATOM 730 OD1 ASP A 45 11.282 15.720 6.550 1.00 14.14 O ATOM 731 OD2 ASP A 45 11.255 13.877 7.747 1.00 40.52 O ATOM 0 H ASP A 45 8.990 12.978 8.570 1.00 32.04 H new ATOM 0 HA ASP A 45 7.371 15.281 7.770 1.00 74.13 H new ATOM 0 HB2 ASP A 45 9.351 16.502 7.917 1.00 64.15 H new ATOM 0 HB3 ASP A 45 9.581 15.294 9.166 1.00 64.15 H new ATOM 737 N GLN A 46 8.754 13.217 5.712 1.00 5.40 N ATOM 738 CA GLN A 46 8.905 12.859 4.306 1.00 24.23 C ATOM 739 C GLN A 46 7.644 12.185 3.778 1.00 53.41 C ATOM 740 O GLN A 46 7.400 12.163 2.571 1.00 72.24 O ATOM 741 CB GLN A 46 10.109 11.933 4.120 1.00 71.22 C ATOM 742 CG GLN A 46 11.153 12.478 3.160 1.00 52.34 C ATOM 743 CD GLN A 46 12.112 13.446 3.828 1.00 55.11 C ATOM 744 OE1 GLN A 46 12.945 13.049 4.642 1.00 41.23 O ATOM 745 NE2 GLN A 46 11.997 14.724 3.484 1.00 60.25 N ATOM 0 H GLN A 46 8.960 12.461 6.365 1.00 5.40 H new ATOM 0 HA GLN A 46 9.070 13.775 3.739 1.00 24.23 H new ATOM 0 HB2 GLN A 46 10.575 11.758 5.090 1.00 71.22 H new ATOM 0 HB3 GLN A 46 9.761 10.967 3.755 1.00 71.22 H new ATOM 0 HG2 GLN A 46 11.718 11.649 2.734 1.00 52.34 H new ATOM 0 HG3 GLN A 46 10.653 12.981 2.332 1.00 52.34 H new ATOM 0 HE21 GLN A 46 11.291 15.008 2.804 1.00 60.25 H new ATOM 0 HE22 GLN A 46 12.614 15.422 3.900 1.00 60.25 H new ATOM 754 N GLU A 47 6.846 11.636 4.689 1.00 53.43 N ATOM 755 CA GLU A 47 5.611 10.960 4.312 1.00 32.42 C ATOM 756 C GLU A 47 4.518 11.971 3.975 1.00 55.24 C ATOM 757 O GLU A 47 4.511 13.089 4.491 1.00 31.11 O ATOM 758 CB GLU A 47 5.141 10.043 5.443 1.00 74.25 C ATOM 759 CG GLU A 47 6.127 8.937 5.780 1.00 62.02 C ATOM 760 CD GLU A 47 5.570 7.944 6.782 1.00 1.13 C ATOM 761 OE1 GLU A 47 4.361 8.023 7.086 1.00 51.15 O ATOM 762 OE2 GLU A 47 6.344 7.090 7.263 1.00 52.13 O ATOM 0 H GLU A 47 7.033 11.646 5.692 1.00 53.43 H new ATOM 0 HA GLU A 47 5.812 10.359 3.425 1.00 32.42 H new ATOM 0 HB2 GLU A 47 4.962 10.643 6.335 1.00 74.25 H new ATOM 0 HB3 GLU A 47 4.187 9.595 5.164 1.00 74.25 H new ATOM 0 HG2 GLU A 47 6.402 8.410 4.866 1.00 62.02 H new ATOM 0 HG3 GLU A 47 7.040 9.379 6.181 1.00 62.02 H new ATOM 769 N LEU A 48 3.597 11.570 3.106 1.00 71.03 N ATOM 770 CA LEU A 48 2.500 12.440 2.698 1.00 35.45 C ATOM 771 C LEU A 48 1.164 11.910 3.215 1.00 3.44 C ATOM 772 O LEU A 48 1.016 10.716 3.471 1.00 22.41 O ATOM 773 CB LEU A 48 2.457 12.561 1.174 1.00 30.12 C ATOM 774 CG LEU A 48 2.530 13.982 0.612 1.00 20.23 C ATOM 775 CD1 LEU A 48 2.671 13.950 -0.901 1.00 40.24 C ATOM 776 CD2 LEU A 48 1.300 14.781 1.018 1.00 70.23 C ATOM 0 H LEU A 48 3.588 10.648 2.670 1.00 71.03 H new ATOM 0 HA LEU A 48 2.672 13.426 3.129 1.00 35.45 H new ATOM 0 HB2 LEU A 48 3.285 11.985 0.760 1.00 30.12 H new ATOM 0 HB3 LEU A 48 1.537 12.098 0.818 1.00 30.12 H new ATOM 0 HG LEU A 48 3.410 14.472 1.029 1.00 20.23 H new ATOM 0 HD11 LEU A 48 2.721 14.969 -1.283 1.00 40.24 H new ATOM 0 HD12 LEU A 48 3.582 13.416 -1.170 1.00 40.24 H new ATOM 0 HD13 LEU A 48 1.811 13.442 -1.336 1.00 40.24 H new ATOM 0 HD21 LEU A 48 1.370 15.789 0.609 1.00 70.23 H new ATOM 0 HD22 LEU A 48 0.405 14.293 0.631 1.00 70.23 H new ATOM 0 HD23 LEU A 48 1.243 14.834 2.105 1.00 70.23 H new ATOM 788 N ASP A 49 0.195 12.808 3.363 1.00 44.42 N ATOM 789 CA ASP A 49 -1.128 12.432 3.846 1.00 60.22 C ATOM 790 C ASP A 49 -2.030 12.015 2.688 1.00 61.34 C ATOM 791 O ASP A 49 -2.255 12.785 1.756 1.00 15.55 O ATOM 792 CB ASP A 49 -1.763 13.593 4.611 1.00 34.40 C ATOM 793 CG ASP A 49 -0.735 14.453 5.320 1.00 72.32 C ATOM 794 OD1 ASP A 49 -0.045 15.236 4.637 1.00 51.00 O ATOM 795 OD2 ASP A 49 -0.622 14.340 6.559 1.00 32.43 O ATOM 0 H ASP A 49 0.302 13.801 3.155 1.00 44.42 H new ATOM 0 HA ASP A 49 -1.015 11.582 4.519 1.00 60.22 H new ATOM 0 HB2 ASP A 49 -2.334 14.211 3.918 1.00 34.40 H new ATOM 0 HB3 ASP A 49 -2.469 13.199 5.342 1.00 34.40 H new ATOM 801 N ILE A 50 -2.540 10.790 2.755 1.00 33.20 N ATOM 802 CA ILE A 50 -3.417 10.271 1.712 1.00 24.44 C ATOM 803 C ILE A 50 -4.844 10.107 2.226 1.00 44.43 C ATOM 804 O ILE A 50 -5.070 9.943 3.425 1.00 64.32 O ATOM 805 CB ILE A 50 -2.917 8.915 1.180 1.00 43.24 C ATOM 806 CG1 ILE A 50 -2.559 7.986 2.341 1.00 25.15 C ATOM 807 CG2 ILE A 50 -1.716 9.117 0.266 1.00 42.24 C ATOM 808 CD1 ILE A 50 -3.111 6.586 2.185 1.00 22.42 C ATOM 0 H ILE A 50 -2.361 10.139 3.519 1.00 33.20 H new ATOM 0 HA ILE A 50 -3.406 10.998 0.900 1.00 24.44 H new ATOM 0 HB ILE A 50 -3.716 8.450 0.603 1.00 43.24 H new ATOM 0 HG12 ILE A 50 -1.474 7.932 2.432 1.00 25.15 H new ATOM 0 HG13 ILE A 50 -2.936 8.415 3.269 1.00 25.15 H new ATOM 0 HG21 ILE A 50 -1.373 8.150 -0.103 1.00 42.24 H new ATOM 0 HG22 ILE A 50 -2.002 9.746 -0.577 1.00 42.24 H new ATOM 0 HG23 ILE A 50 -0.912 9.599 0.823 1.00 42.24 H new ATOM 0 HD11 ILE A 50 -2.819 5.982 3.044 1.00 22.42 H new ATOM 0 HD12 ILE A 50 -4.198 6.628 2.124 1.00 22.42 H new ATOM 0 HD13 ILE A 50 -2.714 6.138 1.274 1.00 22.42 H new ATOM 820 N LYS A 51 -5.805 10.151 1.309 1.00 2.22 N ATOM 821 CA LYS A 51 -7.211 10.005 1.667 1.00 74.25 C ATOM 822 C LYS A 51 -7.856 8.865 0.882 1.00 31.40 C ATOM 823 O LYS A 51 -7.316 8.408 -0.125 1.00 2.13 O ATOM 824 CB LYS A 51 -7.964 11.309 1.402 1.00 31.04 C ATOM 825 CG LYS A 51 -7.924 12.281 2.569 1.00 0.43 C ATOM 826 CD LYS A 51 -9.262 12.977 2.761 1.00 65.33 C ATOM 827 CE LYS A 51 -9.423 14.149 1.806 1.00 54.24 C ATOM 828 NZ LYS A 51 -10.629 14.000 0.944 1.00 25.31 N ATOM 0 H LYS A 51 -5.636 10.287 0.312 1.00 2.22 H new ATOM 0 HA LYS A 51 -7.267 9.770 2.730 1.00 74.25 H new ATOM 0 HB2 LYS A 51 -7.539 11.792 0.522 1.00 31.04 H new ATOM 0 HB3 LYS A 51 -9.003 11.078 1.168 1.00 31.04 H new ATOM 0 HG2 LYS A 51 -7.657 11.746 3.480 1.00 0.43 H new ATOM 0 HG3 LYS A 51 -7.147 13.026 2.397 1.00 0.43 H new ATOM 0 HD2 LYS A 51 -10.070 12.263 2.602 1.00 65.33 H new ATOM 0 HD3 LYS A 51 -9.345 13.330 3.789 1.00 65.33 H new ATOM 0 HE2 LYS A 51 -9.496 15.075 2.376 1.00 54.24 H new ATOM 0 HE3 LYS A 51 -8.536 14.231 1.178 1.00 54.24 H new ATOM 0 HZ1 LYS A 51 -10.704 14.819 0.307 1.00 25.31 H new ATOM 0 HZ2 LYS A 51 -10.548 13.129 0.381 1.00 25.31 H new ATOM 0 HZ3 LYS A 51 -11.479 13.948 1.542 1.00 25.31 H new ATOM 842 N LYS A 52 -9.012 8.412 1.351 1.00 33.22 N ATOM 843 CA LYS A 52 -9.733 7.328 0.693 1.00 64.32 C ATOM 844 C LYS A 52 -10.154 7.731 -0.717 1.00 21.41 C ATOM 845 O LYS A 52 -10.750 8.789 -0.917 1.00 74.20 O ATOM 846 CB LYS A 52 -10.965 6.936 1.512 1.00 11.24 C ATOM 847 CG LYS A 52 -10.718 5.783 2.468 1.00 32.35 C ATOM 848 CD LYS A 52 -11.904 5.561 3.393 1.00 10.23 C ATOM 849 CE LYS A 52 -13.167 5.233 2.610 1.00 64.23 C ATOM 850 NZ LYS A 52 -13.784 3.956 3.064 1.00 20.04 N ATOM 0 H LYS A 52 -9.471 8.778 2.185 1.00 33.22 H new ATOM 0 HA LYS A 52 -9.063 6.471 0.622 1.00 64.32 H new ATOM 0 HB2 LYS A 52 -11.304 7.802 2.081 1.00 11.24 H new ATOM 0 HB3 LYS A 52 -11.772 6.666 0.831 1.00 11.24 H new ATOM 0 HG2 LYS A 52 -10.523 4.873 1.900 1.00 32.35 H new ATOM 0 HG3 LYS A 52 -9.826 5.985 3.061 1.00 32.35 H new ATOM 0 HD2 LYS A 52 -11.681 4.748 4.084 1.00 10.23 H new ATOM 0 HD3 LYS A 52 -12.069 6.454 3.995 1.00 10.23 H new ATOM 0 HE2 LYS A 52 -13.886 6.044 2.724 1.00 64.23 H new ATOM 0 HE3 LYS A 52 -12.929 5.164 1.549 1.00 64.23 H new ATOM 0 HZ1 LYS A 52 -14.642 3.767 2.507 1.00 20.04 H new ATOM 0 HZ2 LYS A 52 -13.107 3.177 2.932 1.00 20.04 H new ATOM 0 HZ3 LYS A 52 -14.035 4.030 4.071 1.00 20.04 H new ATOM 864 N ASN A 53 -9.839 6.883 -1.689 1.00 54.03 N ATOM 865 CA ASN A 53 -10.186 7.150 -3.080 1.00 15.23 C ATOM 866 C ASN A 53 -9.299 8.249 -3.660 1.00 64.41 C ATOM 867 O ASN A 53 -9.437 8.620 -4.824 1.00 11.32 O ATOM 868 CB ASN A 53 -11.657 7.556 -3.192 1.00 75.44 C ATOM 869 CG ASN A 53 -11.829 8.967 -3.720 1.00 2.13 C ATOM 870 OD1 ASN A 53 -11.693 9.941 -2.976 1.00 52.40 O ATOM 871 ND2 ASN A 53 -12.131 9.086 -5.008 1.00 64.35 N ATOM 0 H ASN A 53 -9.344 6.004 -1.540 1.00 54.03 H new ATOM 0 HA ASN A 53 -10.024 6.236 -3.651 1.00 15.23 H new ATOM 0 HB2 ASN A 53 -12.174 6.859 -3.851 1.00 75.44 H new ATOM 0 HB3 ASN A 53 -12.128 7.478 -2.212 1.00 75.44 H new ATOM 0 HD21 ASN A 53 -12.260 10.011 -5.418 1.00 64.35 H new ATOM 0 HD22 ASN A 53 -12.234 8.252 -5.587 1.00 64.35 H new ATOM 878 N GLU A 54 -8.388 8.761 -2.838 1.00 14.03 N ATOM 879 CA GLU A 54 -7.480 9.817 -3.270 1.00 70.24 C ATOM 880 C GLU A 54 -6.470 9.285 -4.283 1.00 12.33 C ATOM 881 O GLU A 54 -5.843 8.249 -4.064 1.00 72.12 O ATOM 882 CB GLU A 54 -6.746 10.411 -2.067 1.00 22.55 C ATOM 883 CG GLU A 54 -6.125 11.771 -2.342 1.00 51.41 C ATOM 884 CD GLU A 54 -7.066 12.917 -2.027 1.00 33.24 C ATOM 885 OE1 GLU A 54 -8.267 12.809 -2.357 1.00 45.14 O ATOM 886 OE2 GLU A 54 -6.604 13.922 -1.448 1.00 1.31 O ATOM 0 H GLU A 54 -8.259 8.462 -1.871 1.00 14.03 H new ATOM 0 HA GLU A 54 -8.072 10.598 -3.748 1.00 70.24 H new ATOM 0 HB2 GLU A 54 -7.444 10.502 -1.235 1.00 22.55 H new ATOM 0 HB3 GLU A 54 -5.963 9.721 -1.753 1.00 22.55 H new ATOM 0 HG2 GLU A 54 -5.217 11.878 -1.749 1.00 51.41 H new ATOM 0 HG3 GLU A 54 -5.830 11.826 -3.390 1.00 51.41 H new ATOM 893 N ARG A 55 -6.321 10.001 -5.392 1.00 1.32 N ATOM 894 CA ARG A 55 -5.390 9.601 -6.440 1.00 40.11 C ATOM 895 C ARG A 55 -4.225 10.582 -6.538 1.00 14.25 C ATOM 896 O ARG A 55 -4.369 11.765 -6.223 1.00 25.31 O ATOM 897 CB ARG A 55 -6.110 9.514 -7.787 1.00 75.35 C ATOM 898 CG ARG A 55 -7.135 10.615 -8.001 1.00 55.41 C ATOM 899 CD ARG A 55 -6.470 11.977 -8.133 1.00 64.24 C ATOM 900 NE ARG A 55 -7.175 12.841 -9.075 1.00 23.25 N ATOM 901 CZ ARG A 55 -7.144 12.674 -10.392 1.00 14.45 C ATOM 902 NH1 ARG A 55 -6.447 11.678 -10.921 1.00 24.05 N ATOM 903 NH2 ARG A 55 -7.813 13.504 -11.183 1.00 40.24 N ATOM 0 H ARG A 55 -6.833 10.861 -5.588 1.00 1.32 H new ATOM 0 HA ARG A 55 -4.995 8.618 -6.182 1.00 40.11 H new ATOM 0 HB2 ARG A 55 -5.372 9.556 -8.588 1.00 75.35 H new ATOM 0 HB3 ARG A 55 -6.607 8.547 -7.862 1.00 75.35 H new ATOM 0 HG2 ARG A 55 -7.716 10.404 -8.899 1.00 55.41 H new ATOM 0 HG3 ARG A 55 -7.835 10.630 -7.165 1.00 55.41 H new ATOM 0 HD2 ARG A 55 -6.434 12.459 -7.156 1.00 64.24 H new ATOM 0 HD3 ARG A 55 -5.439 11.847 -8.462 1.00 64.24 H new ATOM 0 HE ARG A 55 -7.722 13.616 -8.701 1.00 23.25 H new ATOM 0 HH11 ARG A 55 -5.933 11.038 -10.316 1.00 24.05 H new ATOM 0 HH12 ARG A 55 -6.425 11.552 -11.933 1.00 24.05 H new ATOM 0 HH21 ARG A 55 -8.351 14.271 -10.779 1.00 40.24 H new ATOM 0 HH22 ARG A 55 -7.789 13.375 -12.195 1.00 40.24 H new ATOM 917 N LEU A 56 -3.074 10.085 -6.975 1.00 74.31 N ATOM 918 CA LEU A 56 -1.884 10.918 -7.114 1.00 32.34 C ATOM 919 C LEU A 56 -1.021 10.446 -8.280 1.00 74.22 C ATOM 920 O LEU A 56 -1.341 9.457 -8.940 1.00 55.12 O ATOM 921 CB LEU A 56 -1.068 10.895 -5.819 1.00 13.32 C ATOM 922 CG LEU A 56 -1.355 12.022 -4.826 1.00 52.05 C ATOM 923 CD1 LEU A 56 -2.561 11.680 -3.966 1.00 30.05 C ATOM 924 CD2 LEU A 56 -0.135 12.289 -3.956 1.00 74.13 C ATOM 0 H LEU A 56 -2.939 9.109 -7.239 1.00 74.31 H new ATOM 0 HA LEU A 56 -2.207 11.939 -7.316 1.00 32.34 H new ATOM 0 HB2 LEU A 56 -1.244 9.943 -5.319 1.00 13.32 H new ATOM 0 HB3 LEU A 56 -0.010 10.927 -6.079 1.00 13.32 H new ATOM 0 HG LEU A 56 -1.581 12.928 -5.388 1.00 52.05 H new ATOM 0 HD11 LEU A 56 -2.751 12.493 -3.265 1.00 30.05 H new ATOM 0 HD12 LEU A 56 -3.434 11.539 -4.603 1.00 30.05 H new ATOM 0 HD13 LEU A 56 -2.364 10.762 -3.412 1.00 30.05 H new ATOM 0 HD21 LEU A 56 -0.357 13.094 -3.255 1.00 74.13 H new ATOM 0 HD22 LEU A 56 0.122 11.386 -3.402 1.00 74.13 H new ATOM 0 HD23 LEU A 56 0.705 12.579 -4.587 1.00 74.13 H new ATOM 936 N TRP A 57 0.073 11.156 -8.526 1.00 31.42 N ATOM 937 CA TRP A 57 0.982 10.809 -9.611 1.00 10.03 C ATOM 938 C TRP A 57 2.116 9.922 -9.107 1.00 71.11 C ATOM 939 O TRP A 57 2.955 10.359 -8.317 1.00 55.13 O ATOM 940 CB TRP A 57 1.554 12.075 -10.251 1.00 51.24 C ATOM 941 CG TRP A 57 0.616 12.724 -11.223 1.00 51.41 C ATOM 942 CD1 TRP A 57 0.772 12.812 -12.577 1.00 21.40 C ATOM 943 CD2 TRP A 57 -0.619 13.378 -10.916 1.00 72.53 C ATOM 944 NE1 TRP A 57 -0.294 13.481 -13.129 1.00 41.35 N ATOM 945 CE2 TRP A 57 -1.162 13.838 -12.133 1.00 50.21 C ATOM 946 CE3 TRP A 57 -1.323 13.618 -9.732 1.00 71.32 C ATOM 947 CZ2 TRP A 57 -2.372 14.523 -12.195 1.00 42.22 C ATOM 948 CZ3 TRP A 57 -2.524 14.298 -9.796 1.00 50.33 C ATOM 949 CH2 TRP A 57 -3.039 14.744 -11.021 1.00 35.43 C ATOM 0 H TRP A 57 0.352 11.976 -7.988 1.00 31.42 H new ATOM 0 HA TRP A 57 0.418 10.255 -10.361 1.00 10.03 H new ATOM 0 HB2 TRP A 57 1.804 12.789 -9.466 1.00 51.24 H new ATOM 0 HB3 TRP A 57 2.483 11.826 -10.764 1.00 51.24 H new ATOM 0 HD1 TRP A 57 1.609 12.415 -13.132 1.00 21.40 H new ATOM 0 HE1 TRP A 57 -0.418 13.680 -14.122 1.00 41.35 H new ATOM 0 HE3 TRP A 57 -0.935 13.278 -8.784 1.00 71.32 H new ATOM 0 HZ2 TRP A 57 -2.771 14.868 -13.137 1.00 42.22 H new ATOM 0 HZ3 TRP A 57 -3.075 14.489 -8.887 1.00 50.33 H new ATOM 0 HH2 TRP A 57 -3.981 15.272 -11.038 1.00 35.43 H new ATOM 960 N LEU A 58 2.137 8.677 -9.570 1.00 45.04 N ATOM 961 CA LEU A 58 3.170 7.729 -9.166 1.00 41.32 C ATOM 962 C LEU A 58 4.536 8.152 -9.700 1.00 25.53 C ATOM 963 O LEU A 58 4.724 8.303 -10.907 1.00 60.14 O ATOM 964 CB LEU A 58 2.825 6.325 -9.670 1.00 63.31 C ATOM 965 CG LEU A 58 2.631 5.257 -8.594 1.00 62.40 C ATOM 966 CD1 LEU A 58 2.441 3.888 -9.230 1.00 0.15 C ATOM 967 CD2 LEU A 58 3.813 5.241 -7.636 1.00 52.13 C ATOM 0 H LEU A 58 1.451 8.301 -10.225 1.00 45.04 H new ATOM 0 HA LEU A 58 3.214 7.718 -8.077 1.00 41.32 H new ATOM 0 HB2 LEU A 58 1.912 6.387 -10.262 1.00 63.31 H new ATOM 0 HB3 LEU A 58 3.618 5.996 -10.342 1.00 63.31 H new ATOM 0 HG LEU A 58 1.733 5.501 -8.026 1.00 62.40 H new ATOM 0 HD11 LEU A 58 2.304 3.140 -8.449 1.00 0.15 H new ATOM 0 HD12 LEU A 58 1.562 3.905 -9.874 1.00 0.15 H new ATOM 0 HD13 LEU A 58 3.321 3.637 -9.823 1.00 0.15 H new ATOM 0 HD21 LEU A 58 3.656 4.474 -6.877 1.00 52.13 H new ATOM 0 HD22 LEU A 58 4.727 5.023 -8.189 1.00 52.13 H new ATOM 0 HD23 LEU A 58 3.904 6.215 -7.154 1.00 52.13 H new ATOM 979 N LEU A 59 5.487 8.340 -8.790 1.00 60.12 N ATOM 980 CA LEU A 59 6.838 8.742 -9.169 1.00 34.43 C ATOM 981 C LEU A 59 7.759 7.532 -9.266 1.00 0.41 C ATOM 982 O LEU A 59 8.129 7.108 -10.361 1.00 1.34 O ATOM 983 CB LEU A 59 7.395 9.741 -8.153 1.00 22.34 C ATOM 984 CG LEU A 59 6.610 11.044 -7.991 1.00 55.51 C ATOM 985 CD1 LEU A 59 7.339 11.995 -7.056 1.00 23.34 C ATOM 986 CD2 LEU A 59 6.378 11.698 -9.346 1.00 64.11 C ATOM 0 H LEU A 59 5.348 8.221 -7.787 1.00 60.12 H new ATOM 0 HA LEU A 59 6.789 9.217 -10.149 1.00 34.43 H new ATOM 0 HB2 LEU A 59 7.448 9.249 -7.182 1.00 22.34 H new ATOM 0 HB3 LEU A 59 8.417 9.989 -8.441 1.00 22.34 H new ATOM 0 HG LEU A 59 5.640 10.809 -7.552 1.00 55.51 H new ATOM 0 HD11 LEU A 59 6.765 12.916 -6.954 1.00 23.34 H new ATOM 0 HD12 LEU A 59 7.453 11.528 -6.078 1.00 23.34 H new ATOM 0 HD13 LEU A 59 8.323 12.224 -7.465 1.00 23.34 H new ATOM 0 HD21 LEU A 59 5.818 12.624 -9.212 1.00 64.11 H new ATOM 0 HD22 LEU A 59 7.338 11.919 -9.813 1.00 64.11 H new ATOM 0 HD23 LEU A 59 5.811 11.020 -9.985 1.00 64.11 H new ATOM 998 N ASP A 60 8.124 6.978 -8.114 1.00 43.43 N ATOM 999 CA ASP A 60 9.001 5.814 -8.071 1.00 21.10 C ATOM 1000 C ASP A 60 8.489 4.786 -7.066 1.00 74.33 C ATOM 1001 O ASP A 60 8.463 5.041 -5.862 1.00 74.35 O ATOM 1002 CB ASP A 60 10.426 6.234 -7.708 1.00 61.53 C ATOM 1003 CG ASP A 60 11.466 5.256 -8.216 1.00 30.01 C ATOM 1004 OD1 ASP A 60 11.519 5.029 -9.443 1.00 43.42 O ATOM 1005 OD2 ASP A 60 12.228 4.716 -7.387 1.00 0.23 O ATOM 0 H ASP A 60 7.826 7.316 -7.199 1.00 43.43 H new ATOM 0 HA ASP A 60 9.007 5.358 -9.061 1.00 21.10 H new ATOM 0 HB2 ASP A 60 10.627 7.222 -8.123 1.00 61.53 H new ATOM 0 HB3 ASP A 60 10.511 6.320 -6.625 1.00 61.53 H new ATOM 1011 N ASP A 61 8.084 3.626 -7.569 1.00 35.12 N ATOM 1012 CA ASP A 61 7.572 2.559 -6.716 1.00 53.25 C ATOM 1013 C ASP A 61 8.408 1.292 -6.870 1.00 34.21 C ATOM 1014 O ASP A 61 8.060 0.398 -7.643 1.00 21.15 O ATOM 1015 CB ASP A 61 6.109 2.264 -7.052 1.00 1.14 C ATOM 1016 CG ASP A 61 5.810 2.429 -8.529 1.00 5.31 C ATOM 1017 OD1 ASP A 61 5.749 3.585 -8.997 1.00 15.44 O ATOM 1018 OD2 ASP A 61 5.639 1.401 -9.217 1.00 70.02 O ATOM 0 H ASP A 61 8.100 3.400 -8.563 1.00 35.12 H new ATOM 0 HA ASP A 61 7.638 2.893 -5.680 1.00 53.25 H new ATOM 0 HB2 ASP A 61 5.867 1.246 -6.747 1.00 1.14 H new ATOM 0 HB3 ASP A 61 5.466 2.930 -6.477 1.00 1.14 H new ATOM 1024 N SER A 62 9.509 1.223 -6.131 1.00 40.14 N ATOM 1025 CA SER A 62 10.397 0.068 -6.189 1.00 44.15 C ATOM 1026 C SER A 62 10.339 -0.730 -4.890 1.00 20.54 C ATOM 1027 O SER A 62 10.157 -1.947 -4.901 1.00 22.44 O ATOM 1028 CB SER A 62 11.834 0.515 -6.461 1.00 43.13 C ATOM 1029 OG SER A 62 12.241 0.157 -7.770 1.00 1.32 O ATOM 0 H SER A 62 9.808 1.953 -5.485 1.00 40.14 H new ATOM 0 HA SER A 62 10.063 -0.574 -7.004 1.00 44.15 H new ATOM 0 HB2 SER A 62 11.912 1.595 -6.335 1.00 43.13 H new ATOM 0 HB3 SER A 62 12.504 0.060 -5.731 1.00 43.13 H new ATOM 0 HG SER A 62 13.162 0.456 -7.919 1.00 1.32 H new ATOM 1035 N LYS A 63 10.493 -0.033 -3.769 1.00 63.41 N ATOM 1036 CA LYS A 63 10.457 -0.672 -2.458 1.00 54.20 C ATOM 1037 C LYS A 63 9.028 -0.748 -1.930 1.00 61.21 C ATOM 1038 O LYS A 63 8.089 -0.290 -2.581 1.00 40.34 O ATOM 1039 CB LYS A 63 11.338 0.094 -1.470 1.00 60.25 C ATOM 1040 CG LYS A 63 11.059 1.586 -1.437 1.00 22.34 C ATOM 1041 CD LYS A 63 12.065 2.361 -2.272 1.00 20.34 C ATOM 1042 CE LYS A 63 13.299 2.725 -1.460 1.00 41.15 C ATOM 1043 NZ LYS A 63 14.496 1.951 -1.894 1.00 55.43 N ATOM 0 H LYS A 63 10.644 0.975 -3.742 1.00 63.41 H new ATOM 0 HA LYS A 63 10.841 -1.687 -2.565 1.00 54.20 H new ATOM 0 HB2 LYS A 63 11.191 -0.317 -0.471 1.00 60.25 H new ATOM 0 HB3 LYS A 63 12.384 -0.066 -1.730 1.00 60.25 H new ATOM 0 HG2 LYS A 63 10.052 1.777 -1.809 1.00 22.34 H new ATOM 0 HG3 LYS A 63 11.091 1.940 -0.407 1.00 22.34 H new ATOM 0 HD2 LYS A 63 12.359 1.765 -3.136 1.00 20.34 H new ATOM 0 HD3 LYS A 63 11.599 3.269 -2.655 1.00 20.34 H new ATOM 0 HE2 LYS A 63 13.499 3.792 -1.562 1.00 41.15 H new ATOM 0 HE3 LYS A 63 13.108 2.536 -0.404 1.00 41.15 H new ATOM 0 HZ1 LYS A 63 15.316 2.227 -1.317 1.00 55.43 H new ATOM 0 HZ2 LYS A 63 14.314 0.934 -1.773 1.00 55.43 H new ATOM 0 HZ3 LYS A 63 14.694 2.151 -2.895 1.00 55.43 H new ATOM 1057 N THR A 64 8.871 -1.327 -0.743 1.00 52.24 N ATOM 1058 CA THR A 64 7.557 -1.463 -0.128 1.00 35.24 C ATOM 1059 C THR A 64 6.818 -0.129 -0.111 1.00 62.42 C ATOM 1060 O THR A 64 5.587 -0.091 -0.133 1.00 65.24 O ATOM 1061 CB THR A 64 7.664 -1.994 1.314 1.00 44.25 C ATOM 1062 OG1 THR A 64 6.441 -1.753 2.018 1.00 22.50 O ATOM 1063 CG2 THR A 64 8.819 -1.331 2.051 1.00 71.21 C ATOM 0 H THR A 64 9.638 -1.709 -0.189 1.00 52.24 H new ATOM 0 HA THR A 64 6.998 -2.179 -0.731 1.00 35.24 H new ATOM 0 HB THR A 64 7.851 -3.067 1.269 1.00 44.25 H new ATOM 0 HG1 THR A 64 5.749 -2.366 1.691 1.00 22.50 H new ATOM 0 HG21 THR A 64 8.875 -1.722 3.067 1.00 71.21 H new ATOM 0 HG22 THR A 64 9.753 -1.542 1.529 1.00 71.21 H new ATOM 0 HG23 THR A 64 8.658 -0.253 2.085 1.00 71.21 H new ATOM 1071 N TRP A 65 7.575 0.961 -0.073 1.00 74.52 N ATOM 1072 CA TRP A 65 6.990 2.298 -0.054 1.00 70.44 C ATOM 1073 C TRP A 65 7.078 2.949 -1.431 1.00 35.42 C ATOM 1074 O TRP A 65 8.099 2.850 -2.110 1.00 60.12 O ATOM 1075 CB TRP A 65 7.696 3.172 0.983 1.00 65.45 C ATOM 1076 CG TRP A 65 7.203 2.950 2.382 1.00 44.30 C ATOM 1077 CD1 TRP A 65 7.339 1.816 3.128 1.00 21.41 C ATOM 1078 CD2 TRP A 65 6.493 3.889 3.197 1.00 54.44 C ATOM 1079 NE1 TRP A 65 6.757 1.993 4.361 1.00 71.31 N ATOM 1080 CE2 TRP A 65 6.230 3.255 4.427 1.00 24.43 C ATOM 1081 CE3 TRP A 65 6.053 5.201 3.008 1.00 44.41 C ATOM 1082 CZ2 TRP A 65 5.548 3.891 5.462 1.00 2.20 C ATOM 1083 CZ3 TRP A 65 5.376 5.832 4.036 1.00 45.50 C ATOM 1084 CH2 TRP A 65 5.131 5.177 5.250 1.00 52.50 C ATOM 0 H TRP A 65 8.595 0.946 -0.055 1.00 74.52 H new ATOM 0 HA TRP A 65 5.938 2.204 0.217 1.00 70.44 H new ATOM 0 HB2 TRP A 65 8.767 2.973 0.947 1.00 65.45 H new ATOM 0 HB3 TRP A 65 7.558 4.220 0.719 1.00 65.45 H new ATOM 0 HD1 TRP A 65 7.831 0.913 2.799 1.00 21.41 H new ATOM 0 HE1 TRP A 65 6.723 1.297 5.106 1.00 71.31 H new ATOM 0 HE3 TRP A 65 6.238 5.714 2.076 1.00 44.41 H new ATOM 0 HZ2 TRP A 65 5.355 3.387 6.398 1.00 2.20 H new ATOM 0 HZ3 TRP A 65 5.031 6.846 3.901 1.00 45.50 H new ATOM 0 HH2 TRP A 65 4.602 5.698 6.035 1.00 52.50 H new ATOM 1095 N TRP A 66 6.002 3.613 -1.834 1.00 12.24 N ATOM 1096 CA TRP A 66 5.957 4.281 -3.131 1.00 24.40 C ATOM 1097 C TRP A 66 5.879 5.794 -2.960 1.00 2.12 C ATOM 1098 O TRP A 66 5.291 6.291 -2.000 1.00 31.03 O ATOM 1099 CB TRP A 66 4.760 3.784 -3.942 1.00 0.11 C ATOM 1100 CG TRP A 66 4.735 2.296 -4.116 1.00 63.54 C ATOM 1101 CD1 TRP A 66 5.768 1.429 -3.902 1.00 22.42 C ATOM 1102 CD2 TRP A 66 3.622 1.501 -4.538 1.00 51.15 C ATOM 1103 NE1 TRP A 66 5.365 0.142 -4.167 1.00 25.53 N ATOM 1104 CE2 TRP A 66 4.053 0.160 -4.558 1.00 44.42 C ATOM 1105 CE3 TRP A 66 2.304 1.791 -4.901 1.00 65.33 C ATOM 1106 CZ2 TRP A 66 3.211 -0.886 -4.927 1.00 73.24 C ATOM 1107 CZ3 TRP A 66 1.471 0.751 -5.266 1.00 0.45 C ATOM 1108 CH2 TRP A 66 1.926 -0.574 -5.277 1.00 34.32 C ATOM 0 H TRP A 66 5.149 3.704 -1.283 1.00 12.24 H new ATOM 0 HA TRP A 66 6.875 4.041 -3.668 1.00 24.40 H new ATOM 0 HB2 TRP A 66 3.840 4.100 -3.449 1.00 0.11 H new ATOM 0 HB3 TRP A 66 4.774 4.257 -4.924 1.00 0.11 H new ATOM 0 HD1 TRP A 66 6.757 1.713 -3.573 1.00 22.42 H new ATOM 0 HE1 TRP A 66 5.948 -0.691 -4.086 1.00 25.53 H new ATOM 0 HE3 TRP A 66 1.943 2.809 -4.896 1.00 65.33 H new ATOM 0 HZ2 TRP A 66 3.560 -1.908 -4.937 1.00 73.24 H new ATOM 0 HZ3 TRP A 66 0.450 0.963 -5.548 1.00 0.45 H new ATOM 0 HH2 TRP A 66 1.249 -1.364 -5.567 1.00 34.32 H new ATOM 1119 N ARG A 67 6.476 6.522 -3.898 1.00 52.51 N ATOM 1120 CA ARG A 67 6.474 7.980 -3.851 1.00 60.42 C ATOM 1121 C ARG A 67 5.577 8.557 -4.941 1.00 24.12 C ATOM 1122 O ARG A 67 5.704 8.209 -6.115 1.00 35.51 O ATOM 1123 CB ARG A 67 7.898 8.517 -4.009 1.00 44.23 C ATOM 1124 CG ARG A 67 7.960 10.018 -4.243 1.00 42.32 C ATOM 1125 CD ARG A 67 9.164 10.640 -3.554 1.00 64.12 C ATOM 1126 NE ARG A 67 8.783 11.739 -2.671 1.00 73.32 N ATOM 1127 CZ ARG A 67 9.657 12.563 -2.103 1.00 54.25 C ATOM 1128 NH1 ARG A 67 10.955 12.413 -2.325 1.00 14.44 N ATOM 1129 NH2 ARG A 67 9.230 13.538 -1.310 1.00 43.44 N ATOM 0 H ARG A 67 6.967 6.127 -4.700 1.00 52.51 H new ATOM 0 HA ARG A 67 6.082 8.288 -2.882 1.00 60.42 H new ATOM 0 HB2 ARG A 67 8.471 8.273 -3.114 1.00 44.23 H new ATOM 0 HB3 ARG A 67 8.379 8.007 -4.844 1.00 44.23 H new ATOM 0 HG2 ARG A 67 8.008 10.219 -5.313 1.00 42.32 H new ATOM 0 HG3 ARG A 67 7.047 10.483 -3.872 1.00 42.32 H new ATOM 0 HD2 ARG A 67 9.686 9.876 -2.977 1.00 64.12 H new ATOM 0 HD3 ARG A 67 9.863 11.005 -4.306 1.00 64.12 H new ATOM 0 HE ARG A 67 7.791 11.882 -2.480 1.00 73.32 H new ATOM 0 HH11 ARG A 67 11.285 11.664 -2.933 1.00 14.44 H new ATOM 0 HH12 ARG A 67 11.624 13.047 -1.888 1.00 14.44 H new ATOM 0 HH21 ARG A 67 8.232 13.654 -1.137 1.00 43.44 H new ATOM 0 HH22 ARG A 67 9.900 14.171 -0.874 1.00 43.44 H new ATOM 1143 N VAL A 68 4.669 9.444 -4.543 1.00 1.33 N ATOM 1144 CA VAL A 68 3.749 10.071 -5.486 1.00 24.24 C ATOM 1145 C VAL A 68 3.692 11.580 -5.274 1.00 11.45 C ATOM 1146 O VAL A 68 4.279 12.108 -4.329 1.00 35.44 O ATOM 1147 CB VAL A 68 2.330 9.491 -5.355 1.00 0.11 C ATOM 1148 CG1 VAL A 68 2.328 8.004 -5.672 1.00 4.42 C ATOM 1149 CG2 VAL A 68 1.776 9.747 -3.962 1.00 23.12 C ATOM 0 H VAL A 68 4.551 9.744 -3.575 1.00 1.33 H new ATOM 0 HA VAL A 68 4.127 9.861 -6.486 1.00 24.24 H new ATOM 0 HB VAL A 68 1.685 9.993 -6.076 1.00 0.11 H new ATOM 0 HG11 VAL A 68 1.316 7.612 -5.574 1.00 4.42 H new ATOM 0 HG12 VAL A 68 2.680 7.849 -6.692 1.00 4.42 H new ATOM 0 HG13 VAL A 68 2.987 7.483 -4.978 1.00 4.42 H new ATOM 0 HG21 VAL A 68 0.772 9.330 -3.888 1.00 23.12 H new ATOM 0 HG22 VAL A 68 2.421 9.274 -3.221 1.00 23.12 H new ATOM 0 HG23 VAL A 68 1.738 10.821 -3.777 1.00 23.12 H new ATOM 1159 N ARG A 69 2.982 12.270 -6.162 1.00 13.11 N ATOM 1160 CA ARG A 69 2.849 13.719 -6.073 1.00 3.14 C ATOM 1161 C ARG A 69 1.385 14.121 -5.921 1.00 15.15 C ATOM 1162 O ARG A 69 0.499 13.523 -6.533 1.00 25.02 O ATOM 1163 CB ARG A 69 3.445 14.384 -7.315 1.00 61.32 C ATOM 1164 CG ARG A 69 3.356 15.902 -7.294 1.00 54.35 C ATOM 1165 CD ARG A 69 2.442 16.420 -8.394 1.00 1.05 C ATOM 1166 NE ARG A 69 3.078 16.364 -9.707 1.00 14.32 N ATOM 1167 CZ ARG A 69 4.022 17.209 -10.103 1.00 2.23 C ATOM 1168 NH1 ARG A 69 4.439 18.171 -9.292 1.00 0.33 N ATOM 1169 NH2 ARG A 69 4.554 17.093 -11.313 1.00 52.21 N ATOM 0 H ARG A 69 2.491 11.849 -6.950 1.00 13.11 H new ATOM 0 HA ARG A 69 3.395 14.056 -5.192 1.00 3.14 H new ATOM 0 HB2 ARG A 69 4.491 14.091 -7.408 1.00 61.32 H new ATOM 0 HB3 ARG A 69 2.930 14.010 -8.200 1.00 61.32 H new ATOM 0 HG2 ARG A 69 2.984 16.233 -6.324 1.00 54.35 H new ATOM 0 HG3 ARG A 69 4.352 16.328 -7.416 1.00 54.35 H new ATOM 0 HD2 ARG A 69 1.525 15.831 -8.410 1.00 1.05 H new ATOM 0 HD3 ARG A 69 2.156 17.449 -8.173 1.00 1.05 H new ATOM 0 HE ARG A 69 2.781 15.635 -10.356 1.00 14.32 H new ATOM 0 HH11 ARG A 69 4.034 18.264 -8.360 1.00 0.33 H new ATOM 0 HH12 ARG A 69 5.165 18.819 -9.600 1.00 0.33 H new ATOM 0 HH21 ARG A 69 4.238 16.354 -11.940 1.00 52.21 H new ATOM 0 HH22 ARG A 69 5.279 17.743 -11.616 1.00 52.21 H new ATOM 1183 N ASN A 70 1.138 15.138 -5.101 1.00 14.22 N ATOM 1184 CA ASN A 70 -0.220 15.619 -4.867 1.00 51.41 C ATOM 1185 C ASN A 70 -0.615 16.658 -5.914 1.00 32.00 C ATOM 1186 O ASN A 70 0.225 17.141 -6.671 1.00 15.00 O ATOM 1187 CB ASN A 70 -0.335 16.221 -3.466 1.00 1.32 C ATOM 1188 CG ASN A 70 -1.773 16.516 -3.081 1.00 23.33 C ATOM 1189 OD1 ASN A 70 -2.618 15.622 -3.062 1.00 45.10 O ATOM 1190 ND2 ASN A 70 -2.054 17.777 -2.770 1.00 14.12 N ATOM 0 H ASN A 70 1.859 15.645 -4.588 1.00 14.22 H new ATOM 0 HA ASN A 70 -0.900 14.771 -4.947 1.00 51.41 H new ATOM 0 HB2 ASN A 70 0.099 15.533 -2.741 1.00 1.32 H new ATOM 0 HB3 ASN A 70 0.247 17.141 -3.420 1.00 1.32 H new ATOM 0 HD21 ASN A 70 -3.003 18.037 -2.502 1.00 14.12 H new ATOM 0 HD22 ASN A 70 -1.321 18.485 -2.800 1.00 14.12 H new ATOM 1197 N ALA A 71 -1.900 16.994 -5.948 1.00 14.01 N ATOM 1198 CA ALA A 71 -2.408 17.975 -6.898 1.00 23.13 C ATOM 1199 C ALA A 71 -1.958 19.385 -6.525 1.00 74.55 C ATOM 1200 O ALA A 71 -1.978 20.292 -7.355 1.00 30.43 O ATOM 1201 CB ALA A 71 -3.927 17.906 -6.968 1.00 1.14 C ATOM 0 H ALA A 71 -2.608 16.601 -5.328 1.00 14.01 H new ATOM 0 HA ALA A 71 -1.999 17.738 -7.880 1.00 23.13 H new ATOM 0 HB1 ALA A 71 -4.292 18.645 -7.682 1.00 1.14 H new ATOM 0 HB2 ALA A 71 -4.232 16.910 -7.289 1.00 1.14 H new ATOM 0 HB3 ALA A 71 -4.346 18.114 -5.984 1.00 1.14 H new ATOM 1207 N ALA A 72 -1.550 19.558 -5.272 1.00 64.52 N ATOM 1208 CA ALA A 72 -1.093 20.855 -4.790 1.00 23.12 C ATOM 1209 C ALA A 72 0.423 20.980 -4.902 1.00 12.35 C ATOM 1210 O ALA A 72 1.045 21.764 -4.188 1.00 23.13 O ATOM 1211 CB ALA A 72 -1.538 21.070 -3.351 1.00 24.43 C ATOM 0 H ALA A 72 -1.527 18.816 -4.573 1.00 64.52 H new ATOM 0 HA ALA A 72 -1.542 21.626 -5.416 1.00 23.12 H new ATOM 0 HB1 ALA A 72 -1.190 22.043 -3.004 1.00 24.43 H new ATOM 0 HB2 ALA A 72 -2.626 21.034 -3.297 1.00 24.43 H new ATOM 0 HB3 ALA A 72 -1.117 20.288 -2.719 1.00 24.43 H new ATOM 1217 N ASN A 73 1.010 20.200 -5.804 1.00 65.13 N ATOM 1218 CA ASN A 73 2.454 20.223 -6.008 1.00 74.33 C ATOM 1219 C ASN A 73 3.186 19.682 -4.782 1.00 53.25 C ATOM 1220 O ASN A 73 4.367 19.965 -4.578 1.00 31.13 O ATOM 1221 CB ASN A 73 2.925 21.647 -6.310 1.00 12.34 C ATOM 1222 CG ASN A 73 1.890 22.447 -7.075 1.00 1.31 C ATOM 1223 OD1 ASN A 73 1.442 23.501 -6.621 1.00 23.31 O ATOM 1224 ND2 ASN A 73 1.504 21.951 -8.246 1.00 61.11 N ATOM 0 H ASN A 73 0.509 19.545 -6.404 1.00 65.13 H new ATOM 0 HA ASN A 73 2.686 19.583 -6.859 1.00 74.33 H new ATOM 0 HB2 ASN A 73 3.156 22.157 -5.375 1.00 12.34 H new ATOM 0 HB3 ASN A 73 3.849 21.607 -6.887 1.00 12.34 H new ATOM 0 HD21 ASN A 73 0.811 22.447 -8.806 1.00 61.11 H new ATOM 0 HD22 ASN A 73 1.901 21.074 -8.584 1.00 61.11 H new ATOM 1231 N ARG A 74 2.477 18.903 -3.973 1.00 33.43 N ATOM 1232 CA ARG A 74 3.058 18.324 -2.768 1.00 53.14 C ATOM 1233 C ARG A 74 3.756 17.004 -3.082 1.00 24.12 C ATOM 1234 O ARG A 74 3.403 16.315 -4.039 1.00 64.15 O ATOM 1235 CB ARG A 74 1.974 18.101 -1.710 1.00 52.15 C ATOM 1236 CG ARG A 74 2.508 18.081 -0.288 1.00 31.21 C ATOM 1237 CD ARG A 74 3.093 19.429 0.106 1.00 54.23 C ATOM 1238 NE ARG A 74 4.493 19.322 0.509 1.00 31.50 N ATOM 1239 CZ ARG A 74 5.233 20.363 0.873 1.00 22.02 C ATOM 1240 NH1 ARG A 74 4.712 21.581 0.884 1.00 34.32 N ATOM 1241 NH2 ARG A 74 6.500 20.185 1.227 1.00 63.23 N ATOM 0 H ARG A 74 1.499 18.658 -4.130 1.00 33.43 H new ATOM 0 HA ARG A 74 3.798 19.023 -2.379 1.00 53.14 H new ATOM 0 HB2 ARG A 74 1.225 18.888 -1.797 1.00 52.15 H new ATOM 0 HB3 ARG A 74 1.469 17.157 -1.913 1.00 52.15 H new ATOM 0 HG2 ARG A 74 1.705 17.817 0.400 1.00 31.21 H new ATOM 0 HG3 ARG A 74 3.273 17.310 -0.196 1.00 31.21 H new ATOM 0 HD2 ARG A 74 3.009 20.120 -0.733 1.00 54.23 H new ATOM 0 HD3 ARG A 74 2.511 19.851 0.925 1.00 54.23 H new ATOM 0 HE ARG A 74 4.925 18.398 0.511 1.00 31.50 H new ATOM 0 HH11 ARG A 74 3.739 21.722 0.612 1.00 34.32 H new ATOM 0 HH12 ARG A 74 5.284 22.378 1.164 1.00 34.32 H new ATOM 0 HH21 ARG A 74 6.905 19.249 1.219 1.00 63.23 H new ATOM 0 HH22 ARG A 74 7.069 20.984 1.507 1.00 63.23 H new ATOM 1255 N THR A 75 4.751 16.659 -2.270 1.00 43.41 N ATOM 1256 CA THR A 75 5.501 15.424 -2.463 1.00 24.53 C ATOM 1257 C THR A 75 5.736 14.712 -1.134 1.00 55.20 C ATOM 1258 O THR A 75 5.987 15.348 -0.112 1.00 43.13 O ATOM 1259 CB THR A 75 6.860 15.692 -3.135 1.00 63.31 C ATOM 1260 OG1 THR A 75 7.206 17.076 -3.011 1.00 21.12 O ATOM 1261 CG2 THR A 75 6.822 15.303 -4.605 1.00 62.44 C ATOM 0 H THR A 75 5.056 17.218 -1.473 1.00 43.41 H new ATOM 0 HA THR A 75 4.902 14.787 -3.114 1.00 24.53 H new ATOM 0 HB THR A 75 7.614 15.085 -2.633 1.00 63.31 H new ATOM 0 HG1 THR A 75 8.073 17.236 -3.440 1.00 21.12 H new ATOM 0 HG21 THR A 75 7.793 15.501 -5.059 1.00 62.44 H new ATOM 0 HG22 THR A 75 6.589 14.242 -4.695 1.00 62.44 H new ATOM 0 HG23 THR A 75 6.057 15.887 -5.116 1.00 62.44 H new ATOM 1269 N GLY A 76 5.649 13.386 -1.158 1.00 61.33 N ATOM 1270 CA GLY A 76 5.855 12.607 0.050 1.00 22.03 C ATOM 1271 C GLY A 76 5.795 11.114 -0.204 1.00 74.05 C ATOM 1272 O GLY A 76 5.419 10.677 -1.292 1.00 33.32 O ATOM 0 H GLY A 76 5.440 12.837 -1.992 1.00 61.33 H new ATOM 0 HA2 GLY A 76 6.824 12.860 0.481 1.00 22.03 H new ATOM 0 HA3 GLY A 76 5.098 12.878 0.786 1.00 22.03 H new ATOM 1276 N TYR A 77 6.170 10.328 0.800 1.00 12.44 N ATOM 1277 CA TYR A 77 6.161 8.877 0.678 1.00 70.34 C ATOM 1278 C TYR A 77 4.898 8.286 1.298 1.00 33.12 C ATOM 1279 O TYR A 77 4.243 8.920 2.123 1.00 75.52 O ATOM 1280 CB TYR A 77 7.400 8.280 1.350 1.00 13.32 C ATOM 1281 CG TYR A 77 8.700 8.699 0.703 1.00 5.21 C ATOM 1282 CD1 TYR A 77 9.356 9.858 1.102 1.00 54.22 C ATOM 1283 CD2 TYR A 77 9.274 7.936 -0.308 1.00 12.13 C ATOM 1284 CE1 TYR A 77 10.544 10.244 0.513 1.00 52.41 C ATOM 1285 CE2 TYR A 77 10.462 8.315 -0.901 1.00 52.30 C ATOM 1286 CZ TYR A 77 11.093 9.470 -0.487 1.00 73.31 C ATOM 1287 OH TYR A 77 12.276 9.851 -1.078 1.00 71.51 O ATOM 0 H TYR A 77 6.484 10.673 1.707 1.00 12.44 H new ATOM 0 HA TYR A 77 6.175 8.627 -0.383 1.00 70.34 H new ATOM 0 HB2 TYR A 77 7.413 8.577 2.399 1.00 13.32 H new ATOM 0 HB3 TYR A 77 7.327 7.193 1.328 1.00 13.32 H new ATOM 0 HD1 TYR A 77 8.929 10.467 1.886 1.00 54.22 H new ATOM 0 HD2 TYR A 77 8.782 7.032 -0.635 1.00 12.13 H new ATOM 0 HE1 TYR A 77 11.040 11.148 0.834 1.00 52.41 H new ATOM 0 HE2 TYR A 77 10.895 7.711 -1.685 1.00 52.30 H new ATOM 0 HH TYR A 77 12.526 9.196 -1.763 1.00 71.51 H new ATOM 1297 N VAL A 78 4.565 7.064 0.894 1.00 73.11 N ATOM 1298 CA VAL A 78 3.382 6.385 1.409 1.00 31.42 C ATOM 1299 C VAL A 78 3.528 4.870 1.302 1.00 31.43 C ATOM 1300 O VAL A 78 4.136 4.344 0.371 1.00 43.02 O ATOM 1301 CB VAL A 78 2.111 6.821 0.656 1.00 60.33 C ATOM 1302 CG1 VAL A 78 1.639 8.181 1.148 1.00 43.12 C ATOM 1303 CG2 VAL A 78 2.363 6.844 -0.844 1.00 43.02 C ATOM 0 H VAL A 78 5.098 6.524 0.212 1.00 73.11 H new ATOM 0 HA VAL A 78 3.288 6.666 2.458 1.00 31.42 H new ATOM 0 HB VAL A 78 1.323 6.096 0.857 1.00 60.33 H new ATOM 0 HG11 VAL A 78 0.740 8.473 0.605 1.00 43.12 H new ATOM 0 HG12 VAL A 78 1.417 8.125 2.214 1.00 43.12 H new ATOM 0 HG13 VAL A 78 2.421 8.921 0.979 1.00 43.12 H new ATOM 0 HG21 VAL A 78 1.455 7.154 -1.361 1.00 43.02 H new ATOM 0 HG22 VAL A 78 3.166 7.547 -1.067 1.00 43.02 H new ATOM 0 HG23 VAL A 78 2.649 5.847 -1.180 1.00 43.02 H new ATOM 1313 N PRO A 79 2.956 4.151 2.280 1.00 24.23 N ATOM 1314 CA PRO A 79 3.008 2.686 2.319 1.00 4.13 C ATOM 1315 C PRO A 79 2.165 2.046 1.222 1.00 1.34 C ATOM 1316 O PRO A 79 0.966 2.307 1.116 1.00 73.13 O ATOM 1317 CB PRO A 79 2.437 2.348 3.699 1.00 51.31 C ATOM 1318 CG PRO A 79 1.566 3.506 4.042 1.00 55.11 C ATOM 1319 CD PRO A 79 2.216 4.711 3.423 1.00 2.34 C ATOM 0 HA PRO A 79 4.018 2.309 2.156 1.00 4.13 H new ATOM 0 HB2 PRO A 79 1.869 1.418 3.675 1.00 51.31 H new ATOM 0 HB3 PRO A 79 3.231 2.218 4.435 1.00 51.31 H new ATOM 0 HG2 PRO A 79 0.557 3.364 3.654 1.00 55.11 H new ATOM 0 HG3 PRO A 79 1.478 3.622 5.122 1.00 55.11 H new ATOM 0 HD2 PRO A 79 1.477 5.446 3.102 1.00 2.34 H new ATOM 0 HD3 PRO A 79 2.881 5.214 4.125 1.00 2.34 H new ATOM 1327 N SER A 80 2.798 1.210 0.406 1.00 63.42 N ATOM 1328 CA SER A 80 2.107 0.537 -0.685 1.00 51.21 C ATOM 1329 C SER A 80 0.974 -0.338 -0.155 1.00 2.22 C ATOM 1330 O SER A 80 0.078 -0.732 -0.899 1.00 41.53 O ATOM 1331 CB SER A 80 3.089 -0.317 -1.491 1.00 14.35 C ATOM 1332 OG SER A 80 3.479 -1.468 -0.765 1.00 2.21 O ATOM 0 H SER A 80 3.790 0.983 0.481 1.00 63.42 H new ATOM 0 HA SER A 80 1.680 1.301 -1.335 1.00 51.21 H new ATOM 0 HB2 SER A 80 2.628 -0.616 -2.432 1.00 14.35 H new ATOM 0 HB3 SER A 80 3.970 0.275 -1.741 1.00 14.35 H new ATOM 0 HG SER A 80 4.311 -1.283 -0.282 1.00 2.21 H new ATOM 1338 N ASN A 81 1.023 -0.637 1.140 1.00 71.32 N ATOM 1339 CA ASN A 81 0.003 -1.464 1.772 1.00 54.43 C ATOM 1340 C ASN A 81 -1.321 -0.713 1.873 1.00 35.30 C ATOM 1341 O ASN A 81 -2.394 -1.313 1.797 1.00 14.32 O ATOM 1342 CB ASN A 81 0.461 -1.901 3.164 1.00 70.31 C ATOM 1343 CG ASN A 81 1.380 -3.106 3.119 1.00 13.20 C ATOM 1344 OD1 ASN A 81 1.864 -3.492 2.055 1.00 41.04 O ATOM 1345 ND2 ASN A 81 1.625 -3.708 4.278 1.00 15.11 N ATOM 0 H ASN A 81 1.758 -0.318 1.771 1.00 71.32 H new ATOM 0 HA ASN A 81 -0.147 -2.348 1.152 1.00 54.43 H new ATOM 0 HB2 ASN A 81 0.976 -1.073 3.651 1.00 70.31 H new ATOM 0 HB3 ASN A 81 -0.412 -2.136 3.773 1.00 70.31 H new ATOM 0 HD21 ASN A 81 2.236 -4.524 4.310 1.00 15.11 H new ATOM 0 HD22 ASN A 81 1.202 -3.354 5.136 1.00 15.11 H new ATOM 1352 N TYR A 82 -1.237 0.602 2.045 1.00 54.24 N ATOM 1353 CA TYR A 82 -2.429 1.436 2.158 1.00 60.05 C ATOM 1354 C TYR A 82 -2.782 2.067 0.814 1.00 74.14 C ATOM 1355 O TYR A 82 -3.718 2.860 0.714 1.00 31.01 O ATOM 1356 CB TYR A 82 -2.215 2.526 3.207 1.00 2.12 C ATOM 1357 CG TYR A 82 -1.936 1.990 4.592 1.00 42.33 C ATOM 1358 CD1 TYR A 82 -2.458 0.769 5.003 1.00 15.15 C ATOM 1359 CD2 TYR A 82 -1.153 2.702 5.490 1.00 5.43 C ATOM 1360 CE1 TYR A 82 -2.207 0.274 6.268 1.00 50.23 C ATOM 1361 CE2 TYR A 82 -0.894 2.215 6.758 1.00 52.14 C ATOM 1362 CZ TYR A 82 -1.424 1.000 7.141 1.00 31.22 C ATOM 1363 OH TYR A 82 -1.170 0.511 8.403 1.00 52.44 O ATOM 0 H TYR A 82 -0.357 1.113 2.109 1.00 54.24 H new ATOM 0 HA TYR A 82 -3.259 0.801 2.468 1.00 60.05 H new ATOM 0 HB2 TYR A 82 -1.383 3.158 2.897 1.00 2.12 H new ATOM 0 HB3 TYR A 82 -3.100 3.161 3.244 1.00 2.12 H new ATOM 0 HD1 TYR A 82 -3.070 0.197 4.321 1.00 15.15 H new ATOM 0 HD2 TYR A 82 -0.738 3.654 5.193 1.00 5.43 H new ATOM 0 HE1 TYR A 82 -2.621 -0.676 6.572 1.00 50.23 H new ATOM 0 HE2 TYR A 82 -0.281 2.782 7.444 1.00 52.14 H new ATOM 0 HH TYR A 82 -1.141 -0.468 8.375 1.00 52.44 H new ATOM 1373 N VAL A 83 -2.024 1.709 -0.218 1.00 73.24 N ATOM 1374 CA VAL A 83 -2.257 2.237 -1.556 1.00 60.13 C ATOM 1375 C VAL A 83 -2.470 1.111 -2.563 1.00 3.53 C ATOM 1376 O VAL A 83 -2.104 -0.037 -2.311 1.00 14.33 O ATOM 1377 CB VAL A 83 -1.079 3.113 -2.025 1.00 12.31 C ATOM 1378 CG1 VAL A 83 -0.110 2.300 -2.870 1.00 72.33 C ATOM 1379 CG2 VAL A 83 -1.589 4.320 -2.798 1.00 63.42 C ATOM 0 H VAL A 83 -1.244 1.056 -0.152 1.00 73.24 H new ATOM 0 HA VAL A 83 -3.158 2.848 -1.503 1.00 60.13 H new ATOM 0 HB VAL A 83 -0.543 3.471 -1.146 1.00 12.31 H new ATOM 0 HG11 VAL A 83 0.715 2.936 -3.191 1.00 72.33 H new ATOM 0 HG12 VAL A 83 0.280 1.471 -2.280 1.00 72.33 H new ATOM 0 HG13 VAL A 83 -0.629 1.910 -3.745 1.00 72.33 H new ATOM 0 HG21 VAL A 83 -0.744 4.928 -3.122 1.00 63.42 H new ATOM 0 HG22 VAL A 83 -2.149 3.983 -3.670 1.00 63.42 H new ATOM 0 HG23 VAL A 83 -2.239 4.915 -2.156 1.00 63.42 H new ATOM 1389 N GLU A 84 -3.063 1.450 -3.703 1.00 62.22 N ATOM 1390 CA GLU A 84 -3.326 0.466 -4.748 1.00 24.40 C ATOM 1391 C GLU A 84 -3.549 1.149 -6.095 1.00 32.24 C ATOM 1392 O GLU A 84 -4.537 1.858 -6.286 1.00 31.13 O ATOM 1393 CB GLU A 84 -4.547 -0.382 -4.386 1.00 62.50 C ATOM 1394 CG GLU A 84 -5.018 -1.283 -5.515 1.00 31.54 C ATOM 1395 CD GLU A 84 -6.380 -0.883 -6.049 1.00 62.21 C ATOM 1396 OE1 GLU A 84 -7.395 -1.378 -5.515 1.00 72.41 O ATOM 1397 OE2 GLU A 84 -6.431 -0.077 -7.001 1.00 30.22 O ATOM 0 H GLU A 84 -3.370 2.397 -3.927 1.00 62.22 H new ATOM 0 HA GLU A 84 -2.453 -0.182 -4.828 1.00 24.40 H new ATOM 0 HB2 GLU A 84 -4.308 -0.996 -3.518 1.00 62.50 H new ATOM 0 HB3 GLU A 84 -5.364 0.278 -4.094 1.00 62.50 H new ATOM 0 HG2 GLU A 84 -4.291 -1.254 -6.326 1.00 31.54 H new ATOM 0 HG3 GLU A 84 -5.059 -2.313 -5.160 1.00 31.54 H new ATOM 1404 N ARG A 85 -2.624 0.930 -7.022 1.00 41.21 N ATOM 1405 CA ARG A 85 -2.718 1.525 -8.351 1.00 61.20 C ATOM 1406 C ARG A 85 -3.730 0.776 -9.212 1.00 50.41 C ATOM 1407 O ARG A 85 -4.082 -0.368 -8.921 1.00 41.43 O ATOM 1408 CB ARG A 85 -1.349 1.521 -9.034 1.00 70.31 C ATOM 1409 CG ARG A 85 -0.752 0.133 -9.192 1.00 74.14 C ATOM 1410 CD ARG A 85 0.764 0.160 -9.068 1.00 13.13 C ATOM 1411 NE ARG A 85 1.270 -0.965 -8.287 1.00 51.13 N ATOM 1412 CZ ARG A 85 2.523 -1.401 -8.353 1.00 71.53 C ATOM 1413 NH1 ARG A 85 3.392 -0.810 -9.160 1.00 4.10 N ATOM 1414 NH2 ARG A 85 2.907 -2.432 -7.610 1.00 63.01 N ATOM 0 H ARG A 85 -1.801 0.345 -6.879 1.00 41.21 H new ATOM 0 HA ARG A 85 -3.056 2.555 -8.237 1.00 61.20 H new ATOM 0 HB2 ARG A 85 -1.442 1.982 -10.018 1.00 70.31 H new ATOM 0 HB3 ARG A 85 -0.662 2.139 -8.456 1.00 70.31 H new ATOM 0 HG2 ARG A 85 -1.168 -0.531 -8.435 1.00 74.14 H new ATOM 0 HG3 ARG A 85 -1.031 -0.276 -10.163 1.00 74.14 H new ATOM 0 HD2 ARG A 85 1.209 0.140 -10.063 1.00 13.13 H new ATOM 0 HD3 ARG A 85 1.073 1.094 -8.599 1.00 13.13 H new ATOM 0 HE ARG A 85 0.626 -1.442 -7.656 1.00 51.13 H new ATOM 0 HH11 ARG A 85 3.099 -0.018 -9.733 1.00 4.10 H new ATOM 0 HH12 ARG A 85 4.354 -1.147 -9.209 1.00 4.10 H new ATOM 0 HH21 ARG A 85 2.240 -2.889 -6.989 1.00 63.01 H new ATOM 0 HH22 ARG A 85 3.869 -2.767 -7.661 1.00 63.01 H new ATOM 1428 N LYS A 86 -4.194 1.428 -10.272 1.00 62.14 N ATOM 1429 CA LYS A 86 -5.165 0.824 -11.177 1.00 2.10 C ATOM 1430 C LYS A 86 -6.442 0.447 -10.433 1.00 33.13 C ATOM 1431 O LYS A 86 -7.213 1.316 -10.024 1.00 54.14 O ATOM 1432 CB LYS A 86 -4.567 -0.416 -11.846 1.00 51.12 C ATOM 1433 CG LYS A 86 -4.322 -0.244 -13.334 1.00 45.14 C ATOM 1434 CD LYS A 86 -5.620 -0.272 -14.122 1.00 13.53 C ATOM 1435 CE LYS A 86 -5.631 -1.401 -15.141 1.00 30.02 C ATOM 1436 NZ LYS A 86 -6.955 -1.531 -15.811 1.00 3.53 N ATOM 0 H LYS A 86 -3.913 2.375 -10.526 1.00 62.14 H new ATOM 0 HA LYS A 86 -5.415 1.558 -11.943 1.00 2.10 H new ATOM 0 HB2 LYS A 86 -3.625 -0.664 -11.357 1.00 51.12 H new ATOM 0 HB3 LYS A 86 -5.238 -1.261 -11.692 1.00 51.12 H new ATOM 0 HG2 LYS A 86 -3.808 0.701 -13.512 1.00 45.14 H new ATOM 0 HG3 LYS A 86 -3.663 -1.037 -13.689 1.00 45.14 H new ATOM 0 HD2 LYS A 86 -6.460 -0.391 -13.437 1.00 13.53 H new ATOM 0 HD3 LYS A 86 -5.757 0.681 -14.632 1.00 13.53 H new ATOM 0 HE2 LYS A 86 -4.861 -1.221 -15.891 1.00 30.02 H new ATOM 0 HE3 LYS A 86 -5.381 -2.339 -14.646 1.00 30.02 H new ATOM 0 HZ1 LYS A 86 -6.921 -2.311 -16.498 1.00 3.53 H new ATOM 0 HZ2 LYS A 86 -7.687 -1.728 -15.099 1.00 3.53 H new ATOM 0 HZ3 LYS A 86 -7.183 -0.645 -16.305 1.00 3.53 H new TER 1450 LYS A 86