USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 712 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 21 ASN : amide:sc= 0.327 K(o=1.6,f=-1.6) USER MOD Set 1.2: A 87 CYS SG : rot -27:sc= 1.06 USER MOD Set 1.3: A 88 ASN : amide:sc= 0.178 K(o=1.6,f=-1.4!) USER MOD Set 2.1: A 77 THR OG1 : rot -58:sc= 0.603 USER MOD Set 2.2: A 84 SER OG : rot 180:sc= 0.546 USER MOD Set 3.1: A 37 GLN : amide:sc= 0 K(o=-0.36,f=-1.3) USER MOD Set 3.2: A 55 MET CE :methyl 151:sc= -0.362 (180deg=-1.42!) USER MOD Single : A 1 GLY N :NH3+ -172:sc= 0.551 (180deg=0.506) USER MOD Single : A 3 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.039) USER MOD Single : A 8 SER OG : rot 32:sc= 1.27 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0449 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.23) USER MOD Single : A 26 LYS NZ :NH3+ -133:sc= -1.47 (180deg=-3.12!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -86:sc= 1.14 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0375 X(o=-0.037,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -137:sc= -0.412 (180deg=-1.37!) USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= -0.384 (180deg=-0.645) USER MOD Single : A 54 HIS : no HD1:sc= -0.374 X(o=-0.37,f=0.029) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -1.52 K(o=-1.5,f=-3.8!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -109:sc= -0.686 USER MOD Single : A 74 SER OG : rot 73:sc= 0.112 USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=1) USER MOD Single : A 79 GLN : amide:sc= -1.61 K(o=-1.6,f=-4.4!) USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc=-0.00754 USER MOD Single : A 91 LYS NZ :NH3+ 151:sc= 1.41 (180deg=1.08) USER MOD Single : A 93 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.856 9.092 -20.376 1.00 18.66 N ATOM 2 CA GLY A 1 2.999 9.970 -20.551 1.00 18.87 C ATOM 3 C GLY A 1 3.412 10.621 -19.250 1.00 18.23 C ATOM 4 O GLY A 1 4.445 11.289 -19.182 1.00 18.31 O ATOM 0 H1 GLY A 1 1.687 8.562 -21.255 1.00 18.66 H new ATOM 0 H2 GLY A 1 2.046 8.425 -19.601 1.00 18.66 H new ATOM 0 H3 GLY A 1 1.015 9.659 -20.146 1.00 18.66 H new ATOM 0 HA2 GLY A 1 3.836 9.400 -20.954 1.00 18.87 H new ATOM 0 HA3 GLY A 1 2.756 10.741 -21.282 1.00 18.87 H new ATOM 8 N ALA A 2 2.598 10.403 -18.220 1.00 17.70 N ATOM 9 CA ALA A 2 2.813 10.971 -16.893 1.00 17.18 C ATOM 10 C ALA A 2 1.655 10.577 -15.987 1.00 16.38 C ATOM 11 O ALA A 2 0.868 9.694 -16.329 1.00 16.21 O ATOM 12 CB ALA A 2 2.927 12.489 -16.960 1.00 17.38 C ATOM 0 H ALA A 2 1.763 9.821 -18.284 1.00 17.70 H new ATOM 0 HA ALA A 2 3.748 10.580 -16.491 1.00 17.18 H new ATOM 0 HB1 ALA A 2 3.087 12.886 -15.958 1.00 17.38 H new ATOM 0 HB2 ALA A 2 3.768 12.763 -17.597 1.00 17.38 H new ATOM 0 HB3 ALA A 2 2.008 12.905 -17.373 1.00 17.38 H new ATOM 18 N LYS A 3 1.549 11.230 -14.837 1.00 16.02 N ATOM 19 CA LYS A 3 0.434 10.995 -13.930 1.00 15.35 C ATOM 20 C LYS A 3 -0.662 12.030 -14.162 1.00 14.78 C ATOM 21 O LYS A 3 -0.703 13.069 -13.502 1.00 14.87 O ATOM 22 CB LYS A 3 0.905 11.031 -12.471 1.00 15.66 C ATOM 23 CG LYS A 3 1.954 9.977 -12.137 1.00 16.14 C ATOM 24 CD LYS A 3 1.415 8.566 -12.342 1.00 16.34 C ATOM 25 CE LYS A 3 2.438 7.504 -11.958 1.00 16.93 C ATOM 26 NZ LYS A 3 3.628 7.522 -12.850 1.00 17.44 N ATOM 0 H LYS A 3 2.220 11.925 -14.511 1.00 16.02 H new ATOM 0 HA LYS A 3 0.028 10.004 -14.133 1.00 15.35 H new ATOM 0 HB2 LYS A 3 1.314 12.018 -12.255 1.00 15.66 H new ATOM 0 HB3 LYS A 3 0.044 10.893 -11.817 1.00 15.66 H new ATOM 0 HG2 LYS A 3 2.833 10.126 -12.764 1.00 16.14 H new ATOM 0 HG3 LYS A 3 2.276 10.098 -11.103 1.00 16.14 H new ATOM 0 HD2 LYS A 3 0.512 8.432 -11.746 1.00 16.34 H new ATOM 0 HD3 LYS A 3 1.130 8.435 -13.386 1.00 16.34 H new ATOM 0 HE2 LYS A 3 2.756 7.664 -10.928 1.00 16.93 H new ATOM 0 HE3 LYS A 3 1.971 6.520 -11.998 1.00 16.93 H new ATOM 0 HZ1 LYS A 3 4.240 6.711 -12.628 1.00 17.44 H new ATOM 0 HZ2 LYS A 3 3.320 7.462 -13.841 1.00 17.44 H new ATOM 0 HZ3 LYS A 3 4.157 8.405 -12.705 1.00 17.44 H new ATOM 40 N GLY A 4 -1.522 11.751 -15.129 1.00 14.34 N ATOM 41 CA GLY A 4 -2.605 12.659 -15.461 1.00 13.91 C ATOM 42 C GLY A 4 -3.693 11.966 -16.255 1.00 13.19 C ATOM 43 O GLY A 4 -4.099 10.853 -15.917 1.00 13.08 O ATOM 0 H GLY A 4 -1.490 10.904 -15.696 1.00 14.34 H new ATOM 0 HA2 GLY A 4 -3.029 13.070 -14.545 1.00 13.91 H new ATOM 0 HA3 GLY A 4 -2.213 13.498 -16.036 1.00 13.91 H new ATOM 47 N ASP A 5 -4.174 12.621 -17.305 1.00 12.83 N ATOM 48 CA ASP A 5 -5.182 12.024 -18.176 1.00 12.29 C ATOM 49 C ASP A 5 -4.529 11.046 -19.143 1.00 11.32 C ATOM 50 O ASP A 5 -4.941 9.891 -19.240 1.00 11.07 O ATOM 51 CB ASP A 5 -5.944 13.099 -18.962 1.00 12.76 C ATOM 52 CG ASP A 5 -7.033 12.515 -19.853 1.00 13.25 C ATOM 53 OD1 ASP A 5 -6.726 12.138 -21.000 1.00 13.69 O ATOM 54 OD2 ASP A 5 -8.198 12.429 -19.408 1.00 13.33 O ATOM 0 H ASP A 5 -3.885 13.561 -17.574 1.00 12.83 H new ATOM 0 HA ASP A 5 -5.894 11.490 -17.546 1.00 12.29 H new ATOM 0 HB2 ASP A 5 -6.392 13.805 -18.263 1.00 12.76 H new ATOM 0 HB3 ASP A 5 -5.241 13.661 -19.576 1.00 12.76 H new ATOM 59 N LEU A 6 -3.498 11.511 -19.843 1.00 10.94 N ATOM 60 CA LEU A 6 -2.825 10.692 -20.846 1.00 10.15 C ATOM 61 C LEU A 6 -2.010 9.592 -20.169 1.00 9.46 C ATOM 62 O LEU A 6 -0.877 9.812 -19.733 1.00 9.68 O ATOM 63 CB LEU A 6 -1.938 11.568 -21.744 1.00 10.29 C ATOM 64 CG LEU A 6 -1.484 10.944 -23.078 1.00 10.86 C ATOM 65 CD1 LEU A 6 -0.398 9.901 -22.872 1.00 11.39 C ATOM 66 CD2 LEU A 6 -2.667 10.325 -23.809 1.00 10.88 C ATOM 0 H LEU A 6 -3.111 12.449 -19.734 1.00 10.94 H new ATOM 0 HA LEU A 6 -3.576 10.217 -21.477 1.00 10.15 H new ATOM 0 HB2 LEU A 6 -2.479 12.489 -21.964 1.00 10.29 H new ATOM 0 HB3 LEU A 6 -1.049 11.848 -21.178 1.00 10.29 H new ATOM 0 HG LEU A 6 -1.067 11.747 -23.686 1.00 10.86 H new ATOM 0 HD11 LEU A 6 -0.105 9.485 -23.836 1.00 11.39 H new ATOM 0 HD12 LEU A 6 0.468 10.365 -22.399 1.00 11.39 H new ATOM 0 HD13 LEU A 6 -0.776 9.103 -22.232 1.00 11.39 H new ATOM 0 HD21 LEU A 6 -2.327 9.890 -24.749 1.00 10.88 H new ATOM 0 HD22 LEU A 6 -3.112 9.547 -23.188 1.00 10.88 H new ATOM 0 HD23 LEU A 6 -3.411 11.095 -24.014 1.00 10.88 H new ATOM 78 N VAL A 7 -2.618 8.419 -20.076 1.00 8.82 N ATOM 79 CA VAL A 7 -1.993 7.249 -19.480 1.00 8.29 C ATOM 80 C VAL A 7 -2.982 6.089 -19.505 1.00 7.44 C ATOM 81 O VAL A 7 -4.187 6.290 -19.308 1.00 7.11 O ATOM 82 CB VAL A 7 -1.536 7.523 -18.019 1.00 8.29 C ATOM 83 CG1 VAL A 7 -2.718 7.880 -17.124 1.00 8.14 C ATOM 84 CG2 VAL A 7 -0.766 6.336 -17.452 1.00 8.52 C ATOM 0 H VAL A 7 -3.566 8.252 -20.414 1.00 8.82 H new ATOM 0 HA VAL A 7 -1.105 7.000 -20.061 1.00 8.29 H new ATOM 0 HB VAL A 7 -0.865 8.381 -18.042 1.00 8.29 H new ATOM 0 HG11 VAL A 7 -2.364 8.065 -16.110 1.00 8.14 H new ATOM 0 HG12 VAL A 7 -3.207 8.776 -17.507 1.00 8.14 H new ATOM 0 HG13 VAL A 7 -3.430 7.054 -17.114 1.00 8.14 H new ATOM 0 HG21 VAL A 7 -0.459 6.556 -16.430 1.00 8.52 H new ATOM 0 HG22 VAL A 7 -1.404 5.452 -17.457 1.00 8.52 H new ATOM 0 HG23 VAL A 7 0.117 6.149 -18.063 1.00 8.52 H new ATOM 94 N SER A 8 -2.492 4.890 -19.784 1.00 7.35 N ATOM 95 CA SER A 8 -3.334 3.709 -19.730 1.00 6.76 C ATOM 96 C SER A 8 -3.529 3.311 -18.271 1.00 6.25 C ATOM 97 O SER A 8 -2.688 2.638 -17.670 1.00 6.60 O ATOM 98 CB SER A 8 -2.726 2.561 -20.549 1.00 7.45 C ATOM 99 OG SER A 8 -3.694 1.557 -20.808 1.00 7.95 O ATOM 0 H SER A 8 -1.523 4.712 -20.048 1.00 7.35 H new ATOM 0 HA SER A 8 -4.305 3.932 -20.172 1.00 6.76 H new ATOM 0 HB2 SER A 8 -2.336 2.947 -21.491 1.00 7.45 H new ATOM 0 HB3 SER A 8 -1.884 2.129 -20.008 1.00 7.45 H new ATOM 0 HG SER A 8 -4.581 1.968 -20.880 1.00 7.95 H new ATOM 105 N PHE A 9 -4.631 3.779 -17.705 1.00 5.71 N ATOM 106 CA PHE A 9 -4.921 3.642 -16.284 1.00 5.49 C ATOM 107 C PHE A 9 -6.325 4.155 -16.042 1.00 4.56 C ATOM 108 O PHE A 9 -7.063 3.666 -15.185 1.00 4.58 O ATOM 109 CB PHE A 9 -3.896 4.439 -15.455 1.00 5.95 C ATOM 110 CG PHE A 9 -4.288 4.667 -14.024 1.00 6.09 C ATOM 111 CD1 PHE A 9 -3.995 3.716 -13.061 1.00 6.22 C ATOM 112 CD2 PHE A 9 -4.948 5.822 -13.642 1.00 6.41 C ATOM 113 CE1 PHE A 9 -4.353 3.910 -11.744 1.00 6.69 C ATOM 114 CE2 PHE A 9 -5.312 6.023 -12.324 1.00 6.91 C ATOM 115 CZ PHE A 9 -5.013 5.112 -11.379 1.00 7.07 C ATOM 0 H PHE A 9 -5.358 4.270 -18.225 1.00 5.71 H new ATOM 0 HA PHE A 9 -4.852 2.598 -15.979 1.00 5.49 H new ATOM 0 HB2 PHE A 9 -2.942 3.911 -15.477 1.00 5.95 H new ATOM 0 HB3 PHE A 9 -3.736 5.406 -15.932 1.00 5.95 H new ATOM 0 HD1 PHE A 9 -3.479 2.811 -13.345 1.00 6.22 H new ATOM 0 HD2 PHE A 9 -5.181 6.574 -14.381 1.00 6.41 H new ATOM 0 HE1 PHE A 9 -4.134 3.158 -11.001 1.00 6.69 H new ATOM 0 HE2 PHE A 9 -5.843 6.922 -12.049 1.00 6.91 H new ATOM 0 HZ PHE A 9 -5.274 5.295 -10.347 1.00 7.07 H new ATOM 125 N ARG A 10 -6.672 5.156 -16.830 1.00 4.03 N ATOM 126 CA ARG A 10 -7.998 5.730 -16.841 1.00 3.33 C ATOM 127 C ARG A 10 -8.949 4.826 -17.615 1.00 2.88 C ATOM 128 O ARG A 10 -8.568 3.732 -18.038 1.00 3.18 O ATOM 129 CB ARG A 10 -7.921 7.105 -17.499 1.00 3.50 C ATOM 130 CG ARG A 10 -8.164 8.264 -16.555 1.00 3.95 C ATOM 131 CD ARG A 10 -9.647 8.590 -16.442 1.00 4.08 C ATOM 132 NE ARG A 10 -10.277 8.721 -17.759 1.00 4.93 N ATOM 133 CZ ARG A 10 -11.093 9.720 -18.110 1.00 5.72 C ATOM 134 NH1 ARG A 10 -11.355 10.705 -17.259 1.00 5.83 N ATOM 135 NH2 ARG A 10 -11.639 9.730 -19.320 1.00 6.67 N ATOM 0 H ARG A 10 -6.029 5.597 -17.488 1.00 4.03 H new ATOM 0 HA ARG A 10 -8.374 5.828 -15.823 1.00 3.33 H new ATOM 0 HB2 ARG A 10 -6.937 7.222 -17.954 1.00 3.50 H new ATOM 0 HB3 ARG A 10 -8.652 7.150 -18.306 1.00 3.50 H new ATOM 0 HG2 ARG A 10 -7.768 8.021 -15.569 1.00 3.95 H new ATOM 0 HG3 ARG A 10 -7.623 9.142 -16.908 1.00 3.95 H new ATOM 0 HD2 ARG A 10 -10.149 7.806 -15.875 1.00 4.08 H new ATOM 0 HD3 ARG A 10 -9.774 9.518 -15.884 1.00 4.08 H new ATOM 0 HE ARG A 10 -10.079 8.001 -18.454 1.00 4.93 H new ATOM 0 HH11 ARG A 10 -10.933 10.703 -16.331 1.00 5.83 H new ATOM 0 HH12 ARG A 10 -11.979 11.464 -17.534 1.00 5.83 H new ATOM 0 HH21 ARG A 10 -11.435 8.977 -19.978 1.00 6.67 H new ATOM 0 HH22 ARG A 10 -12.262 10.490 -19.592 1.00 6.67 H new ATOM 149 N ILE A 11 -10.185 5.271 -17.794 1.00 2.34 N ATOM 150 CA ILE A 11 -11.121 4.527 -18.616 1.00 1.99 C ATOM 151 C ILE A 11 -10.694 4.586 -20.072 1.00 1.73 C ATOM 152 O ILE A 11 -10.901 5.588 -20.757 1.00 1.72 O ATOM 153 CB ILE A 11 -12.561 5.044 -18.513 1.00 1.97 C ATOM 154 CG1 ILE A 11 -12.969 5.241 -17.053 1.00 2.38 C ATOM 155 CG2 ILE A 11 -13.476 4.034 -19.181 1.00 2.00 C ATOM 156 CD1 ILE A 11 -14.329 5.887 -16.881 1.00 2.89 C ATOM 0 H ILE A 11 -10.556 6.130 -17.387 1.00 2.34 H new ATOM 0 HA ILE A 11 -11.106 3.503 -18.242 1.00 1.99 H new ATOM 0 HB ILE A 11 -12.638 6.012 -19.009 1.00 1.97 H new ATOM 0 HG12 ILE A 11 -12.971 4.273 -16.552 1.00 2.38 H new ATOM 0 HG13 ILE A 11 -12.219 5.856 -16.556 1.00 2.38 H new ATOM 0 HG21 ILE A 11 -14.507 4.381 -19.120 1.00 2.00 H new ATOM 0 HG22 ILE A 11 -13.192 3.922 -20.227 1.00 2.00 H new ATOM 0 HG23 ILE A 11 -13.386 3.072 -18.676 1.00 2.00 H new ATOM 0 HD11 ILE A 11 -14.549 5.994 -15.819 1.00 2.89 H new ATOM 0 HD12 ILE A 11 -14.327 6.870 -17.352 1.00 2.89 H new ATOM 0 HD13 ILE A 11 -15.090 5.262 -17.348 1.00 2.89 H new ATOM 168 N ASP A 12 -10.084 3.514 -20.527 1.00 1.73 N ATOM 169 CA ASP A 12 -9.580 3.442 -21.886 1.00 1.71 C ATOM 170 C ASP A 12 -10.645 2.944 -22.850 1.00 1.43 C ATOM 171 O ASP A 12 -10.587 3.230 -24.047 1.00 1.54 O ATOM 172 CB ASP A 12 -8.350 2.548 -21.942 1.00 2.04 C ATOM 173 CG ASP A 12 -7.119 3.228 -21.366 1.00 2.64 C ATOM 174 OD1 ASP A 12 -7.053 4.480 -21.419 1.00 3.29 O ATOM 175 OD2 ASP A 12 -6.217 2.520 -20.868 1.00 2.90 O ATOM 0 H ASP A 12 -9.923 2.673 -19.973 1.00 1.73 H new ATOM 0 HA ASP A 12 -9.301 4.449 -22.195 1.00 1.71 H new ATOM 0 HB2 ASP A 12 -8.546 1.628 -21.391 1.00 2.04 H new ATOM 0 HB3 ASP A 12 -8.156 2.265 -22.976 1.00 2.04 H new ATOM 180 N GLU A 13 -11.634 2.220 -22.322 1.00 1.24 N ATOM 181 CA GLU A 13 -12.733 1.714 -23.146 1.00 1.15 C ATOM 182 C GLU A 13 -13.552 2.876 -23.704 1.00 1.28 C ATOM 183 O GLU A 13 -14.241 2.741 -24.717 1.00 1.50 O ATOM 184 CB GLU A 13 -13.647 0.777 -22.346 1.00 1.15 C ATOM 185 CG GLU A 13 -14.412 1.464 -21.225 1.00 1.58 C ATOM 186 CD GLU A 13 -15.776 0.848 -20.987 1.00 2.18 C ATOM 187 OE1 GLU A 13 -15.913 0.027 -20.057 1.00 2.35 O ATOM 188 OE2 GLU A 13 -16.719 1.188 -21.740 1.00 2.96 O ATOM 0 H GLU A 13 -11.697 1.972 -21.335 1.00 1.24 H new ATOM 0 HA GLU A 13 -12.297 1.147 -23.968 1.00 1.15 H new ATOM 0 HB2 GLU A 13 -14.360 0.314 -23.027 1.00 1.15 H new ATOM 0 HB3 GLU A 13 -13.044 -0.026 -21.921 1.00 1.15 H new ATOM 0 HG2 GLU A 13 -13.828 1.411 -20.306 1.00 1.58 H new ATOM 0 HG3 GLU A 13 -14.532 2.520 -21.466 1.00 1.58 H new ATOM 195 N SER A 14 -13.440 4.022 -23.039 1.00 1.27 N ATOM 196 CA SER A 14 -14.153 5.230 -23.421 1.00 1.50 C ATOM 197 C SER A 14 -13.704 5.761 -24.786 1.00 1.59 C ATOM 198 O SER A 14 -14.329 6.669 -25.332 1.00 1.85 O ATOM 199 CB SER A 14 -13.960 6.296 -22.340 1.00 1.61 C ATOM 200 OG SER A 14 -14.697 5.975 -21.177 1.00 2.31 O ATOM 0 H SER A 14 -12.848 4.136 -22.216 1.00 1.27 H new ATOM 0 HA SER A 14 -15.211 4.983 -23.512 1.00 1.50 H new ATOM 0 HB2 SER A 14 -12.902 6.381 -22.093 1.00 1.61 H new ATOM 0 HB3 SER A 14 -14.278 7.267 -22.720 1.00 1.61 H new ATOM 0 HG SER A 14 -14.557 6.669 -20.499 1.00 2.31 H new ATOM 206 N GLY A 15 -12.626 5.209 -25.337 1.00 1.50 N ATOM 207 CA GLY A 15 -12.212 5.611 -26.668 1.00 1.67 C ATOM 208 C GLY A 15 -11.219 6.755 -26.656 1.00 1.66 C ATOM 209 O GLY A 15 -11.499 7.830 -27.191 1.00 1.86 O ATOM 0 H GLY A 15 -12.040 4.502 -24.893 1.00 1.50 H new ATOM 0 HA2 GLY A 15 -11.768 4.756 -27.179 1.00 1.67 H new ATOM 0 HA3 GLY A 15 -13.090 5.905 -27.243 1.00 1.67 H new ATOM 213 N ARG A 16 -10.079 6.538 -26.011 1.00 1.69 N ATOM 214 CA ARG A 16 -9.033 7.552 -25.936 1.00 1.95 C ATOM 215 C ARG A 16 -8.556 7.921 -27.342 1.00 1.94 C ATOM 216 O ARG A 16 -8.050 7.075 -28.076 1.00 1.95 O ATOM 217 CB ARG A 16 -7.843 7.047 -25.110 1.00 2.42 C ATOM 218 CG ARG A 16 -8.224 6.279 -23.853 1.00 2.50 C ATOM 219 CD ARG A 16 -9.038 7.118 -22.880 1.00 2.87 C ATOM 220 NE ARG A 16 -8.303 8.289 -22.395 1.00 3.47 N ATOM 221 CZ ARG A 16 -7.359 8.248 -21.444 1.00 4.27 C ATOM 222 NH1 ARG A 16 -6.901 7.083 -20.979 1.00 4.62 N ATOM 223 NH2 ARG A 16 -6.842 9.383 -20.985 1.00 5.03 N ATOM 0 H ARG A 16 -9.855 5.666 -25.531 1.00 1.69 H new ATOM 0 HA ARG A 16 -9.450 8.434 -25.450 1.00 1.95 H new ATOM 0 HB2 ARG A 16 -7.227 6.405 -25.740 1.00 2.42 H new ATOM 0 HB3 ARG A 16 -7.227 7.900 -24.826 1.00 2.42 H new ATOM 0 HG2 ARG A 16 -8.797 5.394 -24.132 1.00 2.50 H new ATOM 0 HG3 ARG A 16 -7.319 5.929 -23.357 1.00 2.50 H new ATOM 0 HD2 ARG A 16 -9.956 7.446 -23.368 1.00 2.87 H new ATOM 0 HD3 ARG A 16 -9.332 6.501 -22.031 1.00 2.87 H new ATOM 0 HE ARG A 16 -8.524 9.195 -22.808 1.00 3.47 H new ATOM 0 HH11 ARG A 16 -7.270 6.206 -21.348 1.00 4.62 H new ATOM 0 HH12 ARG A 16 -6.182 7.070 -20.255 1.00 4.62 H new ATOM 0 HH21 ARG A 16 -7.164 10.277 -21.356 1.00 5.03 H new ATOM 0 HH22 ARG A 16 -6.123 9.360 -20.261 1.00 5.03 H new ATOM 237 N ALA A 17 -8.745 9.176 -27.719 1.00 2.02 N ATOM 238 CA ALA A 17 -8.317 9.651 -29.032 1.00 2.12 C ATOM 239 C ALA A 17 -6.848 10.064 -29.013 1.00 2.12 C ATOM 240 O ALA A 17 -6.165 10.013 -30.035 1.00 2.20 O ATOM 241 CB ALA A 17 -9.191 10.808 -29.497 1.00 2.37 C ATOM 0 H ALA A 17 -9.191 9.886 -27.138 1.00 2.02 H new ATOM 0 HA ALA A 17 -8.428 8.829 -29.739 1.00 2.12 H new ATOM 0 HB1 ALA A 17 -8.855 11.147 -30.477 1.00 2.37 H new ATOM 0 HB2 ALA A 17 -10.228 10.477 -29.563 1.00 2.37 H new ATOM 0 HB3 ALA A 17 -9.117 11.629 -28.784 1.00 2.37 H new ATOM 247 N ALA A 18 -6.370 10.465 -27.840 1.00 2.11 N ATOM 248 CA ALA A 18 -4.995 10.938 -27.689 1.00 2.25 C ATOM 249 C ALA A 18 -4.001 9.790 -27.852 1.00 2.18 C ATOM 250 O ALA A 18 -2.881 9.979 -28.336 1.00 2.38 O ATOM 251 CB ALA A 18 -4.823 11.619 -26.338 1.00 2.35 C ATOM 0 H ALA A 18 -6.914 10.473 -26.977 1.00 2.11 H new ATOM 0 HA ALA A 18 -4.790 11.666 -28.474 1.00 2.25 H new ATOM 0 HB1 ALA A 18 -3.796 11.968 -26.235 1.00 2.35 H new ATOM 0 HB2 ALA A 18 -5.503 12.468 -26.269 1.00 2.35 H new ATOM 0 HB3 ALA A 18 -5.047 10.909 -25.542 1.00 2.35 H new ATOM 257 N CYS A 19 -4.419 8.603 -27.445 1.00 1.97 N ATOM 258 CA CYS A 19 -3.633 7.397 -27.626 1.00 1.94 C ATOM 259 C CYS A 19 -4.576 6.235 -27.885 1.00 1.77 C ATOM 260 O CYS A 19 -5.541 6.040 -27.148 1.00 1.77 O ATOM 261 CB CYS A 19 -2.765 7.129 -26.389 1.00 2.16 C ATOM 262 SG CYS A 19 -1.708 5.665 -26.518 1.00 2.75 S ATOM 0 H CYS A 19 -5.314 8.450 -26.980 1.00 1.97 H new ATOM 0 HA CYS A 19 -2.964 7.519 -28.478 1.00 1.94 H new ATOM 0 HB2 CYS A 19 -2.137 8.001 -26.206 1.00 2.16 H new ATOM 0 HB3 CYS A 19 -3.415 7.017 -25.521 1.00 2.16 H new ATOM 0 HG CYS A 19 -1.017 5.531 -25.425 1.00 2.75 H new ATOM 268 N VAL A 20 -4.293 5.463 -28.919 1.00 1.71 N ATOM 269 CA VAL A 20 -5.200 4.416 -29.351 1.00 1.67 C ATOM 270 C VAL A 20 -4.427 3.279 -30.024 1.00 1.62 C ATOM 271 O VAL A 20 -3.321 3.481 -30.526 1.00 1.57 O ATOM 272 CB VAL A 20 -6.277 4.996 -30.305 1.00 1.72 C ATOM 273 CG1 VAL A 20 -5.648 5.528 -31.589 1.00 1.74 C ATOM 274 CG2 VAL A 20 -7.365 3.972 -30.603 1.00 1.88 C ATOM 0 H VAL A 20 -3.442 5.542 -29.475 1.00 1.71 H new ATOM 0 HA VAL A 20 -5.704 4.008 -28.475 1.00 1.67 H new ATOM 0 HB VAL A 20 -6.750 5.836 -29.796 1.00 1.72 H new ATOM 0 HG11 VAL A 20 -6.428 5.928 -32.237 1.00 1.74 H new ATOM 0 HG12 VAL A 20 -4.938 6.318 -31.346 1.00 1.74 H new ATOM 0 HG13 VAL A 20 -5.129 4.719 -32.102 1.00 1.74 H new ATOM 0 HG21 VAL A 20 -8.104 4.411 -31.274 1.00 1.88 H new ATOM 0 HG22 VAL A 20 -6.921 3.096 -31.075 1.00 1.88 H new ATOM 0 HG23 VAL A 20 -7.850 3.676 -29.673 1.00 1.88 H new ATOM 284 N ASN A 21 -5.007 2.085 -30.009 1.00 1.71 N ATOM 285 CA ASN A 21 -4.366 0.903 -30.577 1.00 1.70 C ATOM 286 C ASN A 21 -5.220 0.328 -31.698 1.00 1.72 C ATOM 287 O ASN A 21 -6.443 0.485 -31.692 1.00 2.62 O ATOM 288 CB ASN A 21 -4.143 -0.158 -29.490 1.00 1.73 C ATOM 289 CG ASN A 21 -3.223 0.328 -28.385 1.00 2.10 C ATOM 290 OD1 ASN A 21 -3.662 0.985 -27.444 1.00 2.71 O ATOM 291 ND2 ASN A 21 -1.944 0.002 -28.483 1.00 2.48 N ATOM 0 H ASN A 21 -5.927 1.908 -29.607 1.00 1.71 H new ATOM 0 HA ASN A 21 -3.399 1.196 -30.985 1.00 1.70 H new ATOM 0 HB2 ASN A 21 -5.104 -0.441 -29.060 1.00 1.73 H new ATOM 0 HB3 ASN A 21 -3.720 -1.055 -29.943 1.00 1.73 H new ATOM 0 HD21 ASN A 21 -1.286 0.298 -27.762 1.00 2.48 H new ATOM 0 HD22 ASN A 21 -1.617 -0.545 -29.279 1.00 2.48 H new ATOM 298 N ALA A 22 -4.557 -0.295 -32.677 1.00 1.05 N ATOM 299 CA ALA A 22 -5.226 -0.966 -33.802 1.00 0.99 C ATOM 300 C ALA A 22 -6.001 0.020 -34.670 1.00 1.10 C ATOM 301 O ALA A 22 -6.835 -0.381 -35.481 1.00 1.95 O ATOM 302 CB ALA A 22 -6.151 -2.078 -33.315 1.00 0.96 C ATOM 0 H ALA A 22 -3.539 -0.350 -32.714 1.00 1.05 H new ATOM 0 HA ALA A 22 -4.442 -1.411 -34.414 1.00 0.99 H new ATOM 0 HB1 ALA A 22 -6.630 -2.554 -34.171 1.00 0.96 H new ATOM 0 HB2 ALA A 22 -5.571 -2.819 -32.765 1.00 0.96 H new ATOM 0 HB3 ALA A 22 -6.914 -1.656 -32.661 1.00 0.96 H new ATOM 308 N VAL A 23 -5.688 1.305 -34.508 1.00 0.94 N ATOM 309 CA VAL A 23 -6.342 2.380 -35.248 1.00 0.99 C ATOM 310 C VAL A 23 -7.844 2.403 -34.975 1.00 1.04 C ATOM 311 O VAL A 23 -8.644 1.951 -35.794 1.00 1.72 O ATOM 312 CB VAL A 23 -6.085 2.283 -36.771 1.00 1.12 C ATOM 313 CG1 VAL A 23 -6.665 3.489 -37.499 1.00 1.60 C ATOM 314 CG2 VAL A 23 -4.597 2.151 -37.060 1.00 1.68 C ATOM 0 H VAL A 23 -4.972 1.629 -33.858 1.00 0.94 H new ATOM 0 HA VAL A 23 -5.902 3.312 -34.893 1.00 0.99 H new ATOM 0 HB VAL A 23 -6.587 1.389 -37.140 1.00 1.12 H new ATOM 0 HG11 VAL A 23 -6.471 3.397 -38.568 1.00 1.60 H new ATOM 0 HG12 VAL A 23 -7.741 3.535 -37.328 1.00 1.60 H new ATOM 0 HG13 VAL A 23 -6.199 4.400 -37.123 1.00 1.60 H new ATOM 0 HG21 VAL A 23 -4.440 2.084 -38.137 1.00 1.68 H new ATOM 0 HG22 VAL A 23 -4.072 3.023 -36.670 1.00 1.68 H new ATOM 0 HG23 VAL A 23 -4.212 1.251 -36.581 1.00 1.68 H new ATOM 324 N ARG A 24 -8.199 2.904 -33.787 1.00 0.69 N ATOM 325 CA ARG A 24 -9.593 3.111 -33.346 1.00 0.69 C ATOM 326 C ARG A 24 -10.526 1.934 -33.655 1.00 0.61 C ATOM 327 O ARG A 24 -11.728 2.120 -33.843 1.00 0.84 O ATOM 328 CB ARG A 24 -10.164 4.440 -33.902 1.00 0.85 C ATOM 329 CG ARG A 24 -10.026 4.642 -35.410 1.00 0.94 C ATOM 330 CD ARG A 24 -11.058 3.847 -36.201 1.00 1.08 C ATOM 331 NE ARG A 24 -10.850 3.955 -37.644 1.00 1.57 N ATOM 332 CZ ARG A 24 -11.834 4.107 -38.529 1.00 2.12 C ATOM 333 NH1 ARG A 24 -13.093 4.241 -38.122 1.00 2.44 N ATOM 334 NH2 ARG A 24 -11.551 4.142 -39.821 1.00 2.92 N ATOM 0 H ARG A 24 -7.514 3.185 -33.086 1.00 0.69 H new ATOM 0 HA ARG A 24 -9.551 3.174 -32.259 1.00 0.69 H new ATOM 0 HB2 ARG A 24 -11.221 4.497 -33.642 1.00 0.85 H new ATOM 0 HB3 ARG A 24 -9.666 5.267 -33.396 1.00 0.85 H new ATOM 0 HG2 ARG A 24 -10.132 5.702 -35.643 1.00 0.94 H new ATOM 0 HG3 ARG A 24 -9.025 4.345 -35.723 1.00 0.94 H new ATOM 0 HD2 ARG A 24 -11.011 2.799 -35.906 1.00 1.08 H new ATOM 0 HD3 ARG A 24 -12.058 4.203 -35.952 1.00 1.08 H new ATOM 0 HE ARG A 24 -9.893 3.911 -37.995 1.00 1.57 H new ATOM 0 HH11 ARG A 24 -13.311 4.228 -37.126 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -13.841 4.357 -38.806 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -10.584 4.053 -40.134 1.00 2.92 H new ATOM 0 HH22 ARG A 24 -12.300 4.258 -40.504 1.00 2.92 H new ATOM 348 N GLN A 25 -9.993 0.722 -33.660 1.00 0.44 N ATOM 349 CA GLN A 25 -10.808 -0.449 -33.937 1.00 0.43 C ATOM 350 C GLN A 25 -10.869 -1.366 -32.725 1.00 0.37 C ATOM 351 O GLN A 25 -9.993 -2.206 -32.518 1.00 0.49 O ATOM 352 CB GLN A 25 -10.276 -1.213 -35.152 1.00 0.48 C ATOM 353 CG GLN A 25 -11.188 -2.343 -35.613 1.00 0.64 C ATOM 354 CD GLN A 25 -12.605 -1.875 -35.897 1.00 0.76 C ATOM 355 OE1 GLN A 25 -12.930 -1.461 -37.008 1.00 1.28 O ATOM 356 NE2 GLN A 25 -13.465 -1.954 -34.893 1.00 1.34 N ATOM 0 H GLN A 25 -9.009 0.525 -33.477 1.00 0.44 H new ATOM 0 HA GLN A 25 -11.817 -0.105 -34.162 1.00 0.43 H new ATOM 0 HB2 GLN A 25 -10.134 -0.514 -35.976 1.00 0.48 H new ATOM 0 HB3 GLN A 25 -9.296 -1.625 -34.911 1.00 0.48 H new ATOM 0 HG2 GLN A 25 -10.772 -2.796 -36.513 1.00 0.64 H new ATOM 0 HG3 GLN A 25 -11.213 -3.119 -34.848 1.00 0.64 H new ATOM 0 HE21 GLN A 25 -13.158 -2.303 -33.985 1.00 1.34 H new ATOM 0 HE22 GLN A 25 -14.434 -1.666 -35.028 1.00 1.34 H new ATOM 365 N LYS A 26 -11.905 -1.196 -31.916 1.00 0.26 N ATOM 366 CA LYS A 26 -12.088 -2.043 -30.754 1.00 0.21 C ATOM 367 C LYS A 26 -13.271 -2.984 -30.956 1.00 0.24 C ATOM 368 O LYS A 26 -14.419 -2.551 -31.057 1.00 0.43 O ATOM 369 CB LYS A 26 -12.277 -1.206 -29.485 1.00 0.30 C ATOM 370 CG LYS A 26 -11.108 -0.271 -29.196 1.00 0.69 C ATOM 371 CD LYS A 26 -11.203 0.388 -27.821 1.00 1.08 C ATOM 372 CE LYS A 26 -12.362 1.377 -27.720 1.00 1.59 C ATOM 373 NZ LYS A 26 -13.665 0.712 -27.439 1.00 2.11 N ATOM 0 H LYS A 26 -12.624 -0.484 -32.044 1.00 0.26 H new ATOM 0 HA LYS A 26 -11.186 -2.642 -30.631 1.00 0.21 H new ATOM 0 HB2 LYS A 26 -13.189 -0.617 -29.580 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -12.417 -1.874 -28.635 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -10.176 -0.832 -29.262 1.00 0.69 H new ATOM 0 HG3 LYS A 26 -11.069 0.503 -29.963 1.00 0.69 H new ATOM 0 HD2 LYS A 26 -11.322 -0.384 -27.060 1.00 1.08 H new ATOM 0 HD3 LYS A 26 -10.269 0.906 -27.606 1.00 1.08 H new ATOM 0 HE2 LYS A 26 -12.150 2.099 -26.931 1.00 1.59 H new ATOM 0 HE3 LYS A 26 -12.438 1.937 -28.652 1.00 1.59 H new ATOM 0 HZ1 LYS A 26 -14.391 1.086 -28.083 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 -13.569 -0.314 -27.583 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 -13.945 0.899 -26.455 1.00 2.11 H new ATOM 387 N LYS A 27 -12.969 -4.267 -31.055 1.00 0.12 N ATOM 388 CA LYS A 27 -13.983 -5.302 -31.172 1.00 0.12 C ATOM 389 C LYS A 27 -14.403 -5.790 -29.789 1.00 0.13 C ATOM 390 O LYS A 27 -13.611 -5.759 -28.849 1.00 0.19 O ATOM 391 CB LYS A 27 -13.424 -6.474 -31.979 1.00 0.14 C ATOM 392 CG LYS A 27 -13.385 -6.240 -33.474 1.00 0.19 C ATOM 393 CD LYS A 27 -14.775 -6.272 -34.082 1.00 0.28 C ATOM 394 CE LYS A 27 -14.723 -6.015 -35.577 1.00 0.44 C ATOM 395 NZ LYS A 27 -16.044 -6.227 -36.227 1.00 1.27 N ATOM 0 H LYS A 27 -12.013 -4.622 -31.057 1.00 0.12 H new ATOM 0 HA LYS A 27 -14.854 -4.888 -31.680 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -12.414 -6.691 -31.631 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -14.027 -7.359 -31.777 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -12.920 -5.276 -33.680 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -12.764 -7.001 -33.946 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -15.236 -7.241 -33.892 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -15.403 -5.521 -33.602 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -14.391 -4.993 -35.757 1.00 0.44 H new ATOM 0 HE3 LYS A 27 -13.985 -6.675 -36.033 1.00 0.44 H new ATOM 0 HZ1 LYS A 27 -15.963 -6.041 -37.247 1.00 1.27 H new ATOM 0 HZ2 LYS A 27 -16.351 -7.210 -36.078 1.00 1.27 H new ATOM 0 HZ3 LYS A 27 -16.743 -5.579 -35.811 1.00 1.27 H new ATOM 409 N ARG A 28 -15.646 -6.230 -29.664 1.00 0.10 N ATOM 410 CA ARG A 28 -16.121 -6.792 -28.408 1.00 0.12 C ATOM 411 C ARG A 28 -16.657 -8.197 -28.627 1.00 0.09 C ATOM 412 O ARG A 28 -17.500 -8.425 -29.495 1.00 0.15 O ATOM 413 CB ARG A 28 -17.194 -5.900 -27.776 1.00 0.19 C ATOM 414 CG ARG A 28 -16.677 -4.519 -27.408 1.00 0.29 C ATOM 415 CD ARG A 28 -17.386 -3.958 -26.188 1.00 0.29 C ATOM 416 NE ARG A 28 -18.800 -3.685 -26.431 1.00 0.74 N ATOM 417 CZ ARG A 28 -19.448 -2.644 -25.913 1.00 1.15 C ATOM 418 NH1 ARG A 28 -18.798 -1.759 -25.161 1.00 1.40 N ATOM 419 NH2 ARG A 28 -20.742 -2.482 -26.149 1.00 1.65 N ATOM 0 H ARG A 28 -16.340 -6.209 -30.411 1.00 0.10 H new ATOM 0 HA ARG A 28 -15.278 -6.843 -27.719 1.00 0.12 H new ATOM 0 HB2 ARG A 28 -18.028 -5.797 -28.470 1.00 0.19 H new ATOM 0 HB3 ARG A 28 -17.583 -6.387 -26.881 1.00 0.19 H new ATOM 0 HG2 ARG A 28 -15.606 -4.572 -27.214 1.00 0.29 H new ATOM 0 HG3 ARG A 28 -16.815 -3.843 -28.252 1.00 0.29 H new ATOM 0 HD2 ARG A 28 -17.294 -4.664 -25.363 1.00 0.29 H new ATOM 0 HD3 ARG A 28 -16.891 -3.038 -25.877 1.00 0.29 H new ATOM 0 HE ARG A 28 -19.319 -4.327 -27.030 1.00 0.74 H new ATOM 0 HH11 ARG A 28 -17.801 -1.878 -24.981 1.00 1.40 H new ATOM 0 HH12 ARG A 28 -19.297 -0.962 -24.765 1.00 1.40 H new ATOM 0 HH21 ARG A 28 -21.243 -3.156 -26.728 1.00 1.65 H new ATOM 0 HH22 ARG A 28 -21.237 -1.684 -25.751 1.00 1.65 H new ATOM 433 N ALA A 29 -16.152 -9.131 -27.838 1.00 0.08 N ATOM 434 CA ALA A 29 -16.540 -10.526 -27.921 1.00 0.07 C ATOM 435 C ALA A 29 -16.310 -11.183 -26.576 1.00 0.06 C ATOM 436 O ALA A 29 -15.860 -10.535 -25.633 1.00 0.08 O ATOM 437 CB ALA A 29 -15.770 -11.255 -29.023 1.00 0.08 C ATOM 0 H ALA A 29 -15.456 -8.939 -27.117 1.00 0.08 H new ATOM 0 HA ALA A 29 -17.598 -10.585 -28.179 1.00 0.07 H new ATOM 0 HB1 ALA A 29 -16.085 -12.298 -29.058 1.00 0.08 H new ATOM 0 HB2 ALA A 29 -15.974 -10.782 -29.984 1.00 0.08 H new ATOM 0 HB3 ALA A 29 -14.701 -11.205 -28.814 1.00 0.08 H new ATOM 443 N THR A 30 -16.624 -12.454 -26.472 1.00 0.06 N ATOM 444 CA THR A 30 -16.507 -13.148 -25.211 1.00 0.06 C ATOM 445 C THR A 30 -15.232 -13.980 -25.187 1.00 0.06 C ATOM 446 O THR A 30 -14.837 -14.536 -26.217 1.00 0.08 O ATOM 447 CB THR A 30 -17.718 -14.065 -24.987 1.00 0.08 C ATOM 448 OG1 THR A 30 -18.784 -13.683 -25.869 1.00 0.14 O ATOM 449 CG2 THR A 30 -18.205 -13.979 -23.555 1.00 0.11 C ATOM 0 H THR A 30 -16.962 -13.027 -27.245 1.00 0.06 H new ATOM 0 HA THR A 30 -16.471 -12.405 -24.414 1.00 0.06 H new ATOM 0 HB THR A 30 -17.411 -15.090 -25.193 1.00 0.08 H new ATOM 0 HG1 THR A 30 -19.555 -14.271 -25.725 1.00 0.14 H new ATOM 0 HG21 THR A 30 -19.063 -14.638 -23.422 1.00 0.11 H new ATOM 0 HG22 THR A 30 -17.406 -14.284 -22.880 1.00 0.11 H new ATOM 0 HG23 THR A 30 -18.497 -12.953 -23.331 1.00 0.11 H new ATOM 457 N VAL A 31 -14.578 -14.042 -24.034 1.00 0.08 N ATOM 458 CA VAL A 31 -13.415 -14.900 -23.870 1.00 0.10 C ATOM 459 C VAL A 31 -13.831 -16.353 -24.021 1.00 0.11 C ATOM 460 O VAL A 31 -14.641 -16.861 -23.249 1.00 0.14 O ATOM 461 CB VAL A 31 -12.733 -14.714 -22.498 1.00 0.11 C ATOM 462 CG1 VAL A 31 -11.470 -15.554 -22.408 1.00 0.14 C ATOM 463 CG2 VAL A 31 -12.415 -13.252 -22.235 1.00 0.13 C ATOM 0 H VAL A 31 -14.833 -13.510 -23.202 1.00 0.08 H new ATOM 0 HA VAL A 31 -12.696 -14.620 -24.640 1.00 0.10 H new ATOM 0 HB VAL A 31 -13.431 -15.051 -21.732 1.00 0.11 H new ATOM 0 HG11 VAL A 31 -11.005 -15.408 -21.433 1.00 0.14 H new ATOM 0 HG12 VAL A 31 -11.723 -16.606 -22.536 1.00 0.14 H new ATOM 0 HG13 VAL A 31 -10.775 -15.251 -23.191 1.00 0.14 H new ATOM 0 HG21 VAL A 31 -11.935 -13.153 -21.261 1.00 0.13 H new ATOM 0 HG22 VAL A 31 -11.744 -12.881 -23.009 1.00 0.13 H new ATOM 0 HG23 VAL A 31 -13.337 -12.671 -22.245 1.00 0.13 H new ATOM 473 N ASP A 32 -13.285 -17.002 -25.024 1.00 0.12 N ATOM 474 CA ASP A 32 -13.615 -18.381 -25.319 1.00 0.15 C ATOM 475 C ASP A 32 -12.974 -19.312 -24.301 1.00 0.15 C ATOM 476 O ASP A 32 -13.590 -20.275 -23.844 1.00 0.19 O ATOM 477 CB ASP A 32 -13.132 -18.729 -26.724 1.00 0.21 C ATOM 478 CG ASP A 32 -13.281 -20.202 -27.044 1.00 0.34 C ATOM 479 OD1 ASP A 32 -12.321 -20.965 -26.818 1.00 0.46 O ATOM 480 OD2 ASP A 32 -14.348 -20.598 -27.561 1.00 0.60 O ATOM 0 H ASP A 32 -12.600 -16.591 -25.659 1.00 0.12 H new ATOM 0 HA ASP A 32 -14.696 -18.506 -25.265 1.00 0.15 H new ATOM 0 HB2 ASP A 32 -13.694 -18.144 -27.452 1.00 0.21 H new ATOM 0 HB3 ASP A 32 -12.085 -18.443 -26.825 1.00 0.21 H new ATOM 485 N SER A 33 -11.738 -19.001 -23.941 1.00 0.14 N ATOM 486 CA SER A 33 -10.974 -19.810 -23.016 1.00 0.18 C ATOM 487 C SER A 33 -9.654 -19.120 -22.700 1.00 0.13 C ATOM 488 O SER A 33 -9.175 -18.289 -23.475 1.00 0.14 O ATOM 489 CB SER A 33 -10.719 -21.208 -23.599 1.00 0.27 C ATOM 490 OG SER A 33 -10.276 -21.143 -24.945 1.00 1.07 O ATOM 0 H SER A 33 -11.240 -18.180 -24.284 1.00 0.14 H new ATOM 0 HA SER A 33 -11.547 -19.926 -22.096 1.00 0.18 H new ATOM 0 HB2 SER A 33 -9.972 -21.723 -22.995 1.00 0.27 H new ATOM 0 HB3 SER A 33 -11.635 -21.797 -23.545 1.00 0.27 H new ATOM 0 HG SER A 33 -11.051 -21.100 -25.543 1.00 1.07 H new ATOM 496 N ILE A 34 -9.085 -19.447 -21.553 1.00 0.16 N ATOM 497 CA ILE A 34 -7.799 -18.902 -21.155 1.00 0.14 C ATOM 498 C ILE A 34 -6.850 -20.030 -20.777 1.00 0.16 C ATOM 499 O ILE A 34 -7.217 -20.951 -20.046 1.00 0.19 O ATOM 500 CB ILE A 34 -7.945 -17.882 -19.996 1.00 0.16 C ATOM 501 CG1 ILE A 34 -8.351 -16.515 -20.555 1.00 0.14 C ATOM 502 CG2 ILE A 34 -6.650 -17.768 -19.197 1.00 0.19 C ATOM 503 CD1 ILE A 34 -8.640 -15.470 -19.493 1.00 0.17 C ATOM 0 H ILE A 34 -9.496 -20.091 -20.877 1.00 0.16 H new ATOM 0 HA ILE A 34 -7.380 -18.362 -22.004 1.00 0.14 H new ATOM 0 HB ILE A 34 -8.723 -18.237 -19.320 1.00 0.16 H new ATOM 0 HG12 ILE A 34 -7.554 -16.148 -21.202 1.00 0.14 H new ATOM 0 HG13 ILE A 34 -9.237 -16.638 -21.178 1.00 0.14 H new ATOM 0 HG21 ILE A 34 -6.782 -17.046 -18.391 1.00 0.19 H new ATOM 0 HG22 ILE A 34 -6.396 -18.740 -18.775 1.00 0.19 H new ATOM 0 HG23 ILE A 34 -5.846 -17.436 -19.853 1.00 0.19 H new ATOM 0 HD11 ILE A 34 -8.920 -14.532 -19.972 1.00 0.17 H new ATOM 0 HD12 ILE A 34 -9.458 -15.812 -18.859 1.00 0.17 H new ATOM 0 HD13 ILE A 34 -7.750 -15.315 -18.884 1.00 0.17 H new ATOM 515 N LYS A 35 -5.642 -19.961 -21.308 1.00 0.17 N ATOM 516 CA LYS A 35 -4.642 -20.985 -21.085 1.00 0.21 C ATOM 517 C LYS A 35 -3.388 -20.379 -20.457 1.00 0.20 C ATOM 518 O LYS A 35 -2.450 -20.000 -21.158 1.00 0.22 O ATOM 519 CB LYS A 35 -4.284 -21.672 -22.402 1.00 0.24 C ATOM 520 CG LYS A 35 -5.444 -22.438 -23.009 1.00 0.34 C ATOM 521 CD LYS A 35 -5.883 -23.589 -22.114 1.00 0.47 C ATOM 522 CE LYS A 35 -7.181 -24.204 -22.601 1.00 0.64 C ATOM 523 NZ LYS A 35 -7.581 -25.386 -21.793 1.00 1.56 N ATOM 0 H LYS A 35 -5.329 -19.195 -21.904 1.00 0.17 H new ATOM 0 HA LYS A 35 -5.055 -21.726 -20.400 1.00 0.21 H new ATOM 0 HB2 LYS A 35 -3.940 -20.922 -23.114 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -3.453 -22.357 -22.233 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -6.283 -21.761 -23.171 1.00 0.34 H new ATOM 0 HG3 LYS A 35 -5.154 -22.825 -23.986 1.00 0.34 H new ATOM 0 HD2 LYS A 35 -5.104 -24.351 -22.090 1.00 0.47 H new ATOM 0 HD3 LYS A 35 -6.009 -23.230 -21.093 1.00 0.47 H new ATOM 0 HE2 LYS A 35 -7.972 -23.455 -22.563 1.00 0.64 H new ATOM 0 HE3 LYS A 35 -7.072 -24.500 -23.644 1.00 0.64 H new ATOM 0 HZ1 LYS A 35 -8.473 -25.773 -22.162 1.00 1.56 H new ATOM 0 HZ2 LYS A 35 -6.839 -26.112 -21.849 1.00 1.56 H new ATOM 0 HZ3 LYS A 35 -7.711 -25.101 -20.801 1.00 1.56 H new ATOM 537 N GLY A 36 -3.388 -20.270 -19.136 1.00 0.25 N ATOM 538 CA GLY A 36 -2.259 -19.685 -18.436 1.00 0.28 C ATOM 539 C GLY A 36 -2.114 -18.196 -18.703 1.00 0.24 C ATOM 540 O GLY A 36 -2.911 -17.394 -18.227 1.00 0.29 O ATOM 0 H GLY A 36 -4.152 -20.577 -18.534 1.00 0.25 H new ATOM 0 HA2 GLY A 36 -2.376 -19.849 -17.365 1.00 0.28 H new ATOM 0 HA3 GLY A 36 -1.345 -20.195 -18.738 1.00 0.28 H new ATOM 544 N GLN A 37 -1.106 -17.833 -19.490 1.00 0.21 N ATOM 545 CA GLN A 37 -0.804 -16.427 -19.748 1.00 0.20 C ATOM 546 C GLN A 37 -1.415 -15.984 -21.071 1.00 0.17 C ATOM 547 O GLN A 37 -1.116 -14.903 -21.571 1.00 0.21 O ATOM 548 CB GLN A 37 0.713 -16.203 -19.802 1.00 0.24 C ATOM 549 CG GLN A 37 1.518 -17.070 -18.841 1.00 0.36 C ATOM 550 CD GLN A 37 1.249 -16.756 -17.383 1.00 1.27 C ATOM 551 OE1 GLN A 37 0.352 -17.327 -16.765 1.00 2.10 O ATOM 552 NE2 GLN A 37 2.045 -15.864 -16.816 1.00 1.94 N ATOM 0 H GLN A 37 -0.484 -18.491 -19.960 1.00 0.21 H new ATOM 0 HA GLN A 37 -1.230 -15.839 -18.935 1.00 0.20 H new ATOM 0 HB2 GLN A 37 1.059 -16.393 -20.818 1.00 0.24 H new ATOM 0 HB3 GLN A 37 0.920 -15.155 -19.585 1.00 0.24 H new ATOM 0 HG2 GLN A 37 1.287 -18.119 -19.028 1.00 0.36 H new ATOM 0 HG3 GLN A 37 2.580 -16.936 -19.044 1.00 0.36 H new ATOM 0 HE21 GLN A 37 2.777 -15.413 -17.364 1.00 1.94 H new ATOM 0 HE22 GLN A 37 1.926 -15.628 -15.831 1.00 1.94 H new ATOM 561 N PHE A 38 -2.269 -16.818 -21.644 1.00 0.13 N ATOM 562 CA PHE A 38 -2.836 -16.532 -22.945 1.00 0.11 C ATOM 563 C PHE A 38 -4.327 -16.749 -22.934 1.00 0.10 C ATOM 564 O PHE A 38 -4.825 -17.674 -22.301 1.00 0.12 O ATOM 565 CB PHE A 38 -2.196 -17.400 -24.031 1.00 0.13 C ATOM 566 CG PHE A 38 -0.764 -17.050 -24.307 1.00 0.18 C ATOM 567 CD1 PHE A 38 -0.447 -16.076 -25.239 1.00 0.21 C ATOM 568 CD2 PHE A 38 0.265 -17.681 -23.623 1.00 0.23 C ATOM 569 CE1 PHE A 38 0.867 -15.736 -25.483 1.00 0.28 C ATOM 570 CE2 PHE A 38 1.581 -17.346 -23.868 1.00 0.29 C ATOM 571 CZ PHE A 38 1.881 -16.371 -24.799 1.00 0.32 C ATOM 0 H PHE A 38 -2.582 -17.695 -21.227 1.00 0.13 H new ATOM 0 HA PHE A 38 -2.629 -15.486 -23.171 1.00 0.11 H new ATOM 0 HB2 PHE A 38 -2.255 -18.446 -23.731 1.00 0.13 H new ATOM 0 HB3 PHE A 38 -2.771 -17.299 -24.952 1.00 0.13 H new ATOM 0 HD1 PHE A 38 -1.237 -15.577 -25.781 1.00 0.21 H new ATOM 0 HD2 PHE A 38 0.034 -18.442 -22.892 1.00 0.23 H new ATOM 0 HE1 PHE A 38 1.101 -14.972 -26.210 1.00 0.28 H new ATOM 0 HE2 PHE A 38 2.375 -17.845 -23.333 1.00 0.29 H new ATOM 0 HZ PHE A 38 2.910 -16.106 -24.991 1.00 0.32 H new ATOM 581 N GLY A 39 -5.029 -15.892 -23.635 1.00 0.09 N ATOM 582 CA GLY A 39 -6.461 -16.009 -23.721 1.00 0.09 C ATOM 583 C GLY A 39 -6.925 -15.983 -25.153 1.00 0.09 C ATOM 584 O GLY A 39 -6.245 -15.433 -26.018 1.00 0.11 O ATOM 0 H GLY A 39 -4.631 -15.108 -24.153 1.00 0.09 H new ATOM 0 HA2 GLY A 39 -6.781 -16.938 -23.249 1.00 0.09 H new ATOM 0 HA3 GLY A 39 -6.929 -15.193 -23.170 1.00 0.09 H new ATOM 588 N PHE A 40 -8.067 -16.591 -25.406 1.00 0.09 N ATOM 589 CA PHE A 40 -8.633 -16.626 -26.740 1.00 0.10 C ATOM 590 C PHE A 40 -10.070 -16.143 -26.695 1.00 0.10 C ATOM 591 O PHE A 40 -10.774 -16.369 -25.713 1.00 0.18 O ATOM 592 CB PHE A 40 -8.576 -18.050 -27.306 1.00 0.12 C ATOM 593 CG PHE A 40 -7.192 -18.636 -27.330 1.00 0.12 C ATOM 594 CD1 PHE A 40 -6.662 -19.237 -26.198 1.00 0.14 C ATOM 595 CD2 PHE A 40 -6.419 -18.580 -28.478 1.00 0.13 C ATOM 596 CE1 PHE A 40 -5.390 -19.771 -26.210 1.00 0.16 C ATOM 597 CE2 PHE A 40 -5.144 -19.115 -28.495 1.00 0.16 C ATOM 598 CZ PHE A 40 -4.629 -19.711 -27.360 1.00 0.17 C ATOM 0 H PHE A 40 -8.625 -17.071 -24.700 1.00 0.09 H new ATOM 0 HA PHE A 40 -8.052 -15.971 -27.389 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -9.223 -18.694 -26.711 1.00 0.12 H new ATOM 0 HB3 PHE A 40 -8.976 -18.045 -28.320 1.00 0.12 H new ATOM 0 HD1 PHE A 40 -7.253 -19.288 -25.295 1.00 0.14 H new ATOM 0 HD2 PHE A 40 -6.816 -18.114 -29.368 1.00 0.13 H new ATOM 0 HE1 PHE A 40 -4.990 -20.235 -25.321 1.00 0.16 H new ATOM 0 HE2 PHE A 40 -4.550 -19.067 -29.396 1.00 0.16 H new ATOM 0 HZ PHE A 40 -3.633 -20.129 -27.373 1.00 0.17 H new ATOM 608 N LEU A 41 -10.499 -15.475 -27.747 1.00 0.10 N ATOM 609 CA LEU A 41 -11.846 -14.938 -27.804 1.00 0.09 C ATOM 610 C LEU A 41 -12.610 -15.580 -28.944 1.00 0.09 C ATOM 611 O LEU A 41 -12.005 -16.091 -29.893 1.00 0.13 O ATOM 612 CB LEU A 41 -11.795 -13.422 -27.986 1.00 0.09 C ATOM 613 CG LEU A 41 -10.722 -12.724 -27.155 1.00 0.15 C ATOM 614 CD1 LEU A 41 -10.399 -11.358 -27.726 1.00 0.59 C ATOM 615 CD2 LEU A 41 -11.185 -12.606 -25.718 1.00 0.53 C ATOM 0 H LEU A 41 -9.934 -15.290 -28.576 1.00 0.10 H new ATOM 0 HA LEU A 41 -12.360 -15.161 -26.869 1.00 0.09 H new ATOM 0 HB2 LEU A 41 -11.623 -13.200 -29.039 1.00 0.09 H new ATOM 0 HB3 LEU A 41 -12.768 -13.004 -27.727 1.00 0.09 H new ATOM 0 HG LEU A 41 -9.811 -13.322 -27.187 1.00 0.15 H new ATOM 0 HD11 LEU A 41 -9.632 -10.881 -27.116 1.00 0.59 H new ATOM 0 HD12 LEU A 41 -10.035 -11.468 -28.747 1.00 0.59 H new ATOM 0 HD13 LEU A 41 -11.298 -10.742 -27.726 1.00 0.59 H new ATOM 0 HD21 LEU A 41 -10.416 -12.107 -25.128 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -12.106 -12.025 -25.679 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -11.366 -13.601 -25.311 1.00 0.53 H new ATOM 627 N ASN A 42 -13.931 -15.566 -28.853 1.00 0.11 N ATOM 628 CA ASN A 42 -14.763 -16.126 -29.904 1.00 0.15 C ATOM 629 C ASN A 42 -14.818 -15.164 -31.081 1.00 0.14 C ATOM 630 O ASN A 42 -15.807 -14.465 -31.294 1.00 0.17 O ATOM 631 CB ASN A 42 -16.171 -16.433 -29.382 1.00 0.22 C ATOM 632 CG ASN A 42 -17.019 -17.199 -30.383 1.00 0.79 C ATOM 633 OD1 ASN A 42 -16.990 -18.427 -30.423 1.00 1.53 O ATOM 634 ND2 ASN A 42 -17.792 -16.484 -31.189 1.00 1.37 N ATOM 0 H ASN A 42 -14.447 -15.174 -28.065 1.00 0.11 H new ATOM 0 HA ASN A 42 -14.324 -17.066 -30.238 1.00 0.15 H new ATOM 0 HB2 ASN A 42 -16.094 -17.011 -28.461 1.00 0.22 H new ATOM 0 HB3 ASN A 42 -16.671 -15.498 -29.130 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -18.389 -16.952 -31.871 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -17.790 -15.466 -31.127 1.00 1.37 H new ATOM 641 N PHE A 43 -13.717 -15.099 -31.809 1.00 0.12 N ATOM 642 CA PHE A 43 -13.617 -14.258 -32.981 1.00 0.13 C ATOM 643 C PHE A 43 -12.720 -14.938 -34.016 1.00 0.16 C ATOM 644 O PHE A 43 -11.499 -14.967 -33.871 1.00 0.18 O ATOM 645 CB PHE A 43 -13.074 -12.870 -32.603 1.00 0.12 C ATOM 646 CG PHE A 43 -13.254 -11.838 -33.686 1.00 0.16 C ATOM 647 CD1 PHE A 43 -14.381 -11.028 -33.707 1.00 0.21 C ATOM 648 CD2 PHE A 43 -12.303 -11.677 -34.682 1.00 0.22 C ATOM 649 CE1 PHE A 43 -14.552 -10.081 -34.699 1.00 0.27 C ATOM 650 CE2 PHE A 43 -12.470 -10.730 -35.675 1.00 0.27 C ATOM 651 CZ PHE A 43 -13.595 -9.932 -35.684 1.00 0.28 C ATOM 0 H PHE A 43 -12.870 -15.628 -31.602 1.00 0.12 H new ATOM 0 HA PHE A 43 -14.608 -14.117 -33.413 1.00 0.13 H new ATOM 0 HB2 PHE A 43 -13.576 -12.527 -31.698 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -12.013 -12.956 -32.367 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -15.133 -11.139 -32.940 1.00 0.21 H new ATOM 0 HD2 PHE A 43 -11.420 -12.299 -34.682 1.00 0.22 H new ATOM 0 HE1 PHE A 43 -15.434 -9.457 -34.704 1.00 0.27 H new ATOM 0 HE2 PHE A 43 -11.720 -10.615 -36.443 1.00 0.27 H new ATOM 0 HZ PHE A 43 -13.727 -9.192 -36.460 1.00 0.28 H new ATOM 661 N GLU A 44 -13.344 -15.526 -35.027 1.00 0.23 N ATOM 662 CA GLU A 44 -12.627 -16.243 -36.075 1.00 0.30 C ATOM 663 C GLU A 44 -12.198 -15.280 -37.175 1.00 0.29 C ATOM 664 O GLU A 44 -13.001 -14.874 -38.015 1.00 0.39 O ATOM 665 CB GLU A 44 -13.525 -17.346 -36.639 1.00 0.44 C ATOM 666 CG GLU A 44 -13.952 -18.351 -35.580 1.00 0.60 C ATOM 667 CD GLU A 44 -15.118 -19.210 -36.013 1.00 1.14 C ATOM 668 OE1 GLU A 44 -14.877 -20.308 -36.551 1.00 1.81 O ATOM 669 OE2 GLU A 44 -16.277 -18.789 -35.833 1.00 1.57 O ATOM 0 H GLU A 44 -14.357 -15.520 -35.145 1.00 0.23 H new ATOM 0 HA GLU A 44 -11.729 -16.697 -35.656 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -14.411 -16.895 -37.085 1.00 0.44 H new ATOM 0 HB3 GLU A 44 -12.996 -17.867 -37.437 1.00 0.44 H new ATOM 0 HG2 GLU A 44 -13.106 -18.994 -35.336 1.00 0.60 H new ATOM 0 HG3 GLU A 44 -14.221 -17.817 -34.668 1.00 0.60 H new ATOM 676 N VAL A 45 -10.931 -14.901 -37.140 1.00 0.30 N ATOM 677 CA VAL A 45 -10.366 -13.980 -38.119 1.00 0.38 C ATOM 678 C VAL A 45 -10.166 -14.678 -39.462 1.00 0.45 C ATOM 679 O VAL A 45 -10.535 -14.168 -40.519 1.00 0.58 O ATOM 680 CB VAL A 45 -9.019 -13.417 -37.615 1.00 0.44 C ATOM 681 CG1 VAL A 45 -9.244 -12.526 -36.407 1.00 0.85 C ATOM 682 CG2 VAL A 45 -8.055 -14.543 -37.259 1.00 0.71 C ATOM 0 H VAL A 45 -10.265 -15.220 -36.436 1.00 0.30 H new ATOM 0 HA VAL A 45 -11.067 -13.156 -38.253 1.00 0.38 H new ATOM 0 HB VAL A 45 -8.576 -12.828 -38.418 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -8.288 -12.135 -36.060 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -9.897 -11.698 -36.682 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -9.710 -13.105 -35.610 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -7.114 -14.119 -36.907 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -8.491 -15.161 -36.474 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -7.869 -15.155 -38.141 1.00 0.71 H new ATOM 692 N GLU A 46 -9.597 -15.860 -39.386 1.00 0.51 N ATOM 693 CA GLU A 46 -9.326 -16.684 -40.523 1.00 0.61 C ATOM 694 C GLU A 46 -9.996 -18.025 -40.264 1.00 0.62 C ATOM 695 O GLU A 46 -10.643 -18.172 -39.231 1.00 0.97 O ATOM 696 CB GLU A 46 -7.800 -16.784 -40.680 1.00 0.75 C ATOM 697 CG GLU A 46 -7.330 -17.795 -41.696 1.00 0.88 C ATOM 698 CD GLU A 46 -5.844 -17.728 -41.954 1.00 1.35 C ATOM 699 OE1 GLU A 46 -5.063 -17.784 -40.980 1.00 2.24 O ATOM 700 OE2 GLU A 46 -5.448 -17.638 -43.132 1.00 1.57 O ATOM 0 H GLU A 46 -9.305 -16.279 -38.503 1.00 0.51 H new ATOM 0 HA GLU A 46 -9.719 -16.283 -41.457 1.00 0.61 H new ATOM 0 HB2 GLU A 46 -7.413 -15.804 -40.959 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.366 -17.034 -39.712 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -7.588 -18.796 -41.350 1.00 0.88 H new ATOM 0 HG3 GLU A 46 -7.863 -17.634 -42.633 1.00 0.88 H new ATOM 707 N ASP A 47 -9.859 -18.964 -41.192 1.00 0.85 N ATOM 708 CA ASP A 47 -10.449 -20.305 -41.099 1.00 0.84 C ATOM 709 C ASP A 47 -10.346 -20.904 -39.701 1.00 0.83 C ATOM 710 O ASP A 47 -9.365 -21.577 -39.379 1.00 1.18 O ATOM 711 CB ASP A 47 -9.718 -21.231 -42.055 1.00 0.90 C ATOM 712 CG ASP A 47 -10.501 -22.487 -42.388 1.00 1.18 C ATOM 713 OD1 ASP A 47 -11.045 -22.584 -43.505 1.00 1.30 O ATOM 714 OD2 ASP A 47 -10.594 -23.376 -41.513 1.00 1.55 O ATOM 0 H ASP A 47 -9.326 -18.818 -42.049 1.00 0.85 H new ATOM 0 HA ASP A 47 -11.506 -20.206 -41.348 1.00 0.84 H new ATOM 0 HB2 ASP A 47 -9.500 -20.692 -42.977 1.00 0.90 H new ATOM 0 HB3 ASP A 47 -8.761 -21.513 -41.616 1.00 0.90 H new ATOM 719 N GLY A 48 -11.323 -20.609 -38.856 1.00 0.65 N ATOM 720 CA GLY A 48 -11.370 -21.213 -37.545 1.00 0.67 C ATOM 721 C GLY A 48 -10.256 -20.711 -36.659 1.00 0.58 C ATOM 722 O GLY A 48 -9.978 -21.285 -35.606 1.00 0.66 O ATOM 0 H GLY A 48 -12.084 -19.961 -39.057 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -12.331 -20.997 -37.079 1.00 0.67 H new ATOM 0 HA3 GLY A 48 -11.299 -22.296 -37.641 1.00 0.67 H new ATOM 726 N LYS A 49 -9.615 -19.628 -37.087 1.00 0.48 N ATOM 727 CA LYS A 49 -8.506 -19.072 -36.342 1.00 0.44 C ATOM 728 C LYS A 49 -9.039 -18.309 -35.151 1.00 0.36 C ATOM 729 O LYS A 49 -9.614 -17.231 -35.305 1.00 0.35 O ATOM 730 CB LYS A 49 -7.665 -18.135 -37.217 1.00 0.50 C ATOM 731 CG LYS A 49 -6.405 -18.765 -37.794 1.00 0.71 C ATOM 732 CD LYS A 49 -5.302 -18.944 -36.748 1.00 0.93 C ATOM 733 CE LYS A 49 -4.838 -17.615 -36.148 1.00 1.41 C ATOM 734 NZ LYS A 49 -5.550 -17.293 -34.877 1.00 2.50 N ATOM 0 H LYS A 49 -9.848 -19.124 -37.943 1.00 0.48 H new ATOM 0 HA LYS A 49 -7.868 -19.891 -36.009 1.00 0.44 H new ATOM 0 HB2 LYS A 49 -8.284 -17.774 -38.039 1.00 0.50 H new ATOM 0 HB3 LYS A 49 -7.382 -17.264 -36.626 1.00 0.50 H new ATOM 0 HG2 LYS A 49 -6.653 -19.735 -38.224 1.00 0.71 H new ATOM 0 HG3 LYS A 49 -6.032 -18.142 -38.607 1.00 0.71 H new ATOM 0 HD2 LYS A 49 -5.665 -19.592 -35.950 1.00 0.93 H new ATOM 0 HD3 LYS A 49 -4.451 -19.449 -37.206 1.00 0.93 H new ATOM 0 HE2 LYS A 49 -3.765 -17.657 -35.961 1.00 1.41 H new ATOM 0 HE3 LYS A 49 -5.005 -16.815 -36.869 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 -5.815 -16.287 -34.873 1.00 2.50 H new ATOM 0 HZ2 LYS A 49 -6.407 -17.877 -34.802 1.00 2.50 H new ATOM 0 HZ3 LYS A 49 -4.925 -17.490 -34.069 1.00 2.50 H new ATOM 748 N LYS A 50 -8.832 -18.859 -33.973 1.00 0.37 N ATOM 749 CA LYS A 50 -9.314 -18.237 -32.756 1.00 0.32 C ATOM 750 C LYS A 50 -8.468 -17.013 -32.453 1.00 0.27 C ATOM 751 O LYS A 50 -7.246 -17.052 -32.615 1.00 0.36 O ATOM 752 CB LYS A 50 -9.245 -19.239 -31.601 1.00 0.41 C ATOM 753 CG LYS A 50 -10.359 -19.084 -30.583 1.00 0.47 C ATOM 754 CD LYS A 50 -11.723 -19.065 -31.257 1.00 0.47 C ATOM 755 CE LYS A 50 -12.823 -19.530 -30.324 1.00 0.69 C ATOM 756 NZ LYS A 50 -12.681 -20.965 -29.957 1.00 1.32 N ATOM 0 H LYS A 50 -8.332 -19.737 -33.831 1.00 0.37 H new ATOM 0 HA LYS A 50 -10.352 -17.929 -32.883 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -9.276 -20.250 -32.008 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -8.286 -19.129 -31.095 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -10.316 -19.904 -29.866 1.00 0.47 H new ATOM 0 HG3 LYS A 50 -10.216 -18.161 -30.021 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -11.943 -18.055 -31.602 1.00 0.47 H new ATOM 0 HD3 LYS A 50 -11.701 -19.705 -32.139 1.00 0.47 H new ATOM 0 HE2 LYS A 50 -12.810 -18.923 -29.419 1.00 0.69 H new ATOM 0 HE3 LYS A 50 -13.791 -19.373 -30.800 1.00 0.69 H new ATOM 0 HZ1 LYS A 50 -13.575 -21.310 -29.553 1.00 1.32 H new ATOM 0 HZ2 LYS A 50 -12.448 -21.519 -30.806 1.00 1.32 H new ATOM 0 HZ3 LYS A 50 -11.920 -21.070 -29.256 1.00 1.32 H new ATOM 770 N LEU A 51 -9.108 -15.919 -32.075 1.00 0.19 N ATOM 771 CA LEU A 51 -8.375 -14.720 -31.720 1.00 0.13 C ATOM 772 C LEU A 51 -7.647 -14.932 -30.410 1.00 0.12 C ATOM 773 O LEU A 51 -8.259 -15.275 -29.402 1.00 0.16 O ATOM 774 CB LEU A 51 -9.303 -13.513 -31.597 1.00 0.13 C ATOM 775 CG LEU A 51 -9.014 -12.368 -32.571 1.00 0.13 C ATOM 776 CD1 LEU A 51 -9.853 -11.151 -32.234 1.00 0.19 C ATOM 777 CD2 LEU A 51 -7.540 -12.009 -32.552 1.00 0.16 C ATOM 0 H LEU A 51 -10.123 -15.838 -32.007 1.00 0.19 H new ATOM 0 HA LEU A 51 -7.658 -14.519 -32.516 1.00 0.13 H new ATOM 0 HB2 LEU A 51 -10.330 -13.847 -31.748 1.00 0.13 H new ATOM 0 HB3 LEU A 51 -9.239 -13.128 -30.579 1.00 0.13 H new ATOM 0 HG LEU A 51 -9.278 -12.703 -33.574 1.00 0.13 H new ATOM 0 HD11 LEU A 51 -9.631 -10.350 -32.939 1.00 0.19 H new ATOM 0 HD12 LEU A 51 -10.910 -11.409 -32.298 1.00 0.19 H new ATOM 0 HD13 LEU A 51 -9.622 -10.818 -31.222 1.00 0.19 H new ATOM 0 HD21 LEU A 51 -7.355 -11.193 -33.251 1.00 0.16 H new ATOM 0 HD22 LEU A 51 -7.254 -11.698 -31.547 1.00 0.16 H new ATOM 0 HD23 LEU A 51 -6.950 -12.878 -32.844 1.00 0.16 H new ATOM 789 N PHE A 52 -6.347 -14.739 -30.430 1.00 0.12 N ATOM 790 CA PHE A 52 -5.554 -14.927 -29.239 1.00 0.11 C ATOM 791 C PHE A 52 -5.119 -13.581 -28.697 1.00 0.10 C ATOM 792 O PHE A 52 -5.072 -12.585 -29.427 1.00 0.12 O ATOM 793 CB PHE A 52 -4.323 -15.797 -29.529 1.00 0.14 C ATOM 794 CG PHE A 52 -3.196 -15.067 -30.212 1.00 0.20 C ATOM 795 CD1 PHE A 52 -3.194 -14.883 -31.583 1.00 0.29 C ATOM 796 CD2 PHE A 52 -2.138 -14.567 -29.470 1.00 0.28 C ATOM 797 CE1 PHE A 52 -2.158 -14.212 -32.205 1.00 0.38 C ATOM 798 CE2 PHE A 52 -1.099 -13.893 -30.084 1.00 0.37 C ATOM 799 CZ PHE A 52 -1.108 -13.716 -31.453 1.00 0.39 C ATOM 0 H PHE A 52 -5.820 -14.453 -31.255 1.00 0.12 H new ATOM 0 HA PHE A 52 -6.165 -15.439 -28.496 1.00 0.11 H new ATOM 0 HB2 PHE A 52 -3.956 -16.211 -28.590 1.00 0.14 H new ATOM 0 HB3 PHE A 52 -4.626 -16.639 -30.152 1.00 0.14 H new ATOM 0 HD1 PHE A 52 -4.012 -15.268 -32.174 1.00 0.29 H new ATOM 0 HD2 PHE A 52 -2.125 -14.706 -28.399 1.00 0.28 H new ATOM 0 HE1 PHE A 52 -2.168 -14.075 -33.276 1.00 0.38 H new ATOM 0 HE2 PHE A 52 -0.282 -13.506 -29.494 1.00 0.37 H new ATOM 0 HZ PHE A 52 -0.297 -13.191 -31.936 1.00 0.39 H new ATOM 809 N PHE A 53 -4.818 -13.553 -27.419 1.00 0.10 N ATOM 810 CA PHE A 53 -4.237 -12.386 -26.800 1.00 0.10 C ATOM 811 C PHE A 53 -3.316 -12.825 -25.681 1.00 0.11 C ATOM 812 O PHE A 53 -3.498 -13.901 -25.105 1.00 0.13 O ATOM 813 CB PHE A 53 -5.324 -11.433 -26.279 1.00 0.10 C ATOM 814 CG PHE A 53 -6.122 -11.944 -25.109 1.00 0.10 C ATOM 815 CD1 PHE A 53 -5.608 -11.902 -23.822 1.00 0.13 C ATOM 816 CD2 PHE A 53 -7.399 -12.445 -25.298 1.00 0.11 C ATOM 817 CE1 PHE A 53 -6.348 -12.355 -22.750 1.00 0.16 C ATOM 818 CE2 PHE A 53 -8.142 -12.900 -24.228 1.00 0.13 C ATOM 819 CZ PHE A 53 -7.619 -12.853 -22.953 1.00 0.14 C ATOM 0 H PHE A 53 -4.969 -14.336 -26.782 1.00 0.10 H new ATOM 0 HA PHE A 53 -3.661 -11.837 -27.545 1.00 0.10 H new ATOM 0 HB2 PHE A 53 -4.853 -10.493 -25.993 1.00 0.10 H new ATOM 0 HB3 PHE A 53 -6.010 -11.210 -27.096 1.00 0.10 H new ATOM 0 HD1 PHE A 53 -4.615 -11.510 -23.657 1.00 0.13 H new ATOM 0 HD2 PHE A 53 -7.818 -12.480 -26.293 1.00 0.11 H new ATOM 0 HE1 PHE A 53 -5.934 -12.320 -21.753 1.00 0.16 H new ATOM 0 HE2 PHE A 53 -9.135 -13.294 -24.389 1.00 0.13 H new ATOM 0 HZ PHE A 53 -8.203 -13.205 -22.115 1.00 0.14 H new ATOM 829 N HIS A 54 -2.321 -12.014 -25.388 1.00 0.13 N ATOM 830 CA HIS A 54 -1.442 -12.298 -24.273 1.00 0.15 C ATOM 831 C HIS A 54 -1.983 -11.608 -23.024 1.00 0.15 C ATOM 832 O HIS A 54 -2.598 -10.543 -23.107 1.00 0.16 O ATOM 833 CB HIS A 54 0.000 -11.853 -24.580 1.00 0.18 C ATOM 834 CG HIS A 54 0.997 -12.302 -23.551 1.00 0.21 C ATOM 835 ND1 HIS A 54 2.013 -11.514 -23.056 1.00 0.34 N ATOM 836 CD2 HIS A 54 1.121 -13.500 -22.922 1.00 0.25 C ATOM 837 CE1 HIS A 54 2.703 -12.240 -22.165 1.00 0.34 C ATOM 838 NE2 HIS A 54 2.199 -13.451 -22.045 1.00 0.27 N ATOM 0 H HIS A 54 -2.102 -11.160 -25.901 1.00 0.13 H new ATOM 0 HA HIS A 54 -1.413 -13.374 -24.100 1.00 0.15 H new ATOM 0 HB2 HIS A 54 0.293 -12.245 -25.554 1.00 0.18 H new ATOM 0 HB3 HIS A 54 0.029 -10.766 -24.652 1.00 0.18 H new ATOM 0 HD2 HIS A 54 0.482 -14.357 -23.079 1.00 0.25 H new ATOM 0 HE1 HIS A 54 3.561 -11.879 -21.617 1.00 0.34 H new ATOM 0 HE2 HIS A 54 2.531 -14.198 -21.435 1.00 0.27 H new ATOM 846 N MET A 55 -1.774 -12.239 -21.883 1.00 0.16 N ATOM 847 CA MET A 55 -2.225 -11.737 -20.581 1.00 0.17 C ATOM 848 C MET A 55 -1.755 -10.299 -20.317 1.00 0.17 C ATOM 849 O MET A 55 -2.292 -9.615 -19.449 1.00 0.27 O ATOM 850 CB MET A 55 -1.672 -12.682 -19.517 1.00 0.24 C ATOM 851 CG MET A 55 -2.128 -12.402 -18.107 1.00 0.76 C ATOM 852 SD MET A 55 -1.210 -13.381 -16.901 1.00 1.86 S ATOM 853 CE MET A 55 0.469 -12.832 -17.217 1.00 2.43 C ATOM 0 H MET A 55 -1.279 -13.129 -21.825 1.00 0.16 H new ATOM 0 HA MET A 55 -3.314 -11.709 -20.560 1.00 0.17 H new ATOM 0 HB2 MET A 55 -1.956 -13.702 -19.777 1.00 0.24 H new ATOM 0 HB3 MET A 55 -0.583 -12.637 -19.545 1.00 0.24 H new ATOM 0 HG2 MET A 55 -2.001 -11.342 -17.887 1.00 0.76 H new ATOM 0 HG3 MET A 55 -3.192 -12.621 -18.019 1.00 0.76 H new ATOM 0 HE1 MET A 55 1.055 -12.909 -16.301 1.00 2.43 H new ATOM 0 HE2 MET A 55 0.917 -13.458 -17.988 1.00 2.43 H new ATOM 0 HE3 MET A 55 0.456 -11.795 -17.554 1.00 2.43 H new ATOM 863 N SER A 56 -0.761 -9.842 -21.071 1.00 0.16 N ATOM 864 CA SER A 56 -0.268 -8.477 -20.951 1.00 0.19 C ATOM 865 C SER A 56 -1.351 -7.467 -21.355 1.00 0.17 C ATOM 866 O SER A 56 -1.428 -6.375 -20.796 1.00 0.24 O ATOM 867 CB SER A 56 0.978 -8.294 -21.822 1.00 0.26 C ATOM 868 OG SER A 56 1.578 -7.027 -21.617 1.00 0.91 O ATOM 0 H SER A 56 -0.279 -10.401 -21.775 1.00 0.16 H new ATOM 0 HA SER A 56 -0.005 -8.295 -19.909 1.00 0.19 H new ATOM 0 HB2 SER A 56 1.699 -9.079 -21.595 1.00 0.26 H new ATOM 0 HB3 SER A 56 0.707 -8.403 -22.872 1.00 0.26 H new ATOM 0 HG SER A 56 2.371 -6.944 -22.187 1.00 0.91 H new ATOM 874 N GLU A 57 -2.204 -7.851 -22.305 1.00 0.14 N ATOM 875 CA GLU A 57 -3.262 -6.964 -22.796 1.00 0.17 C ATOM 876 C GLU A 57 -4.430 -6.918 -21.815 1.00 0.16 C ATOM 877 O GLU A 57 -5.289 -6.042 -21.890 1.00 0.20 O ATOM 878 CB GLU A 57 -3.771 -7.456 -24.150 1.00 0.22 C ATOM 879 CG GLU A 57 -2.677 -7.733 -25.162 1.00 0.32 C ATOM 880 CD GLU A 57 -1.912 -6.492 -25.549 1.00 1.10 C ATOM 881 OE1 GLU A 57 -2.504 -5.397 -25.540 1.00 1.96 O ATOM 882 OE2 GLU A 57 -0.717 -6.618 -25.896 1.00 1.20 O ATOM 0 H GLU A 57 -2.184 -8.769 -22.750 1.00 0.14 H new ATOM 0 HA GLU A 57 -2.842 -5.963 -22.898 1.00 0.17 H new ATOM 0 HB2 GLU A 57 -4.350 -8.367 -23.999 1.00 0.22 H new ATOM 0 HB3 GLU A 57 -4.452 -6.711 -24.562 1.00 0.22 H new ATOM 0 HG2 GLU A 57 -1.985 -8.468 -24.750 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -3.118 -8.176 -26.055 1.00 0.32 H new ATOM 889 N VAL A 58 -4.442 -7.874 -20.903 1.00 0.17 N ATOM 890 CA VAL A 58 -5.531 -8.056 -19.959 1.00 0.17 C ATOM 891 C VAL A 58 -5.673 -6.858 -19.008 1.00 0.20 C ATOM 892 O VAL A 58 -4.692 -6.191 -18.667 1.00 0.27 O ATOM 893 CB VAL A 58 -5.325 -9.394 -19.206 1.00 0.16 C ATOM 894 CG1 VAL A 58 -5.841 -9.359 -17.777 1.00 0.27 C ATOM 895 CG2 VAL A 58 -5.998 -10.519 -19.964 1.00 0.22 C ATOM 0 H VAL A 58 -3.688 -8.553 -20.796 1.00 0.17 H new ATOM 0 HA VAL A 58 -6.474 -8.105 -20.503 1.00 0.17 H new ATOM 0 HB VAL A 58 -4.250 -9.563 -19.152 1.00 0.16 H new ATOM 0 HG11 VAL A 58 -5.667 -10.325 -17.304 1.00 0.27 H new ATOM 0 HG12 VAL A 58 -5.317 -8.583 -17.220 1.00 0.27 H new ATOM 0 HG13 VAL A 58 -6.910 -9.144 -17.781 1.00 0.27 H new ATOM 0 HG21 VAL A 58 -5.850 -11.457 -19.430 1.00 0.22 H new ATOM 0 HG22 VAL A 58 -7.065 -10.314 -20.048 1.00 0.22 H new ATOM 0 HG23 VAL A 58 -5.564 -10.597 -20.961 1.00 0.22 H new ATOM 905 N GLN A 59 -6.923 -6.597 -18.620 1.00 0.20 N ATOM 906 CA GLN A 59 -7.305 -5.407 -17.862 1.00 0.25 C ATOM 907 C GLN A 59 -6.669 -5.356 -16.473 1.00 0.34 C ATOM 908 O GLN A 59 -7.271 -5.801 -15.493 1.00 0.57 O ATOM 909 CB GLN A 59 -8.828 -5.360 -17.707 1.00 0.31 C ATOM 910 CG GLN A 59 -9.351 -4.017 -17.224 1.00 0.41 C ATOM 911 CD GLN A 59 -10.464 -4.152 -16.209 1.00 0.77 C ATOM 912 OE1 GLN A 59 -11.638 -4.194 -16.565 1.00 1.60 O ATOM 913 NE2 GLN A 59 -10.099 -4.225 -14.939 1.00 1.25 N ATOM 0 H GLN A 59 -7.708 -7.215 -18.827 1.00 0.20 H new ATOM 0 HA GLN A 59 -6.942 -4.547 -18.425 1.00 0.25 H new ATOM 0 HB2 GLN A 59 -9.290 -5.596 -18.666 1.00 0.31 H new ATOM 0 HB3 GLN A 59 -9.137 -6.134 -17.005 1.00 0.31 H new ATOM 0 HG2 GLN A 59 -8.531 -3.450 -16.784 1.00 0.41 H new ATOM 0 HG3 GLN A 59 -9.712 -3.444 -18.078 1.00 0.41 H new ATOM 0 HE21 GLN A 59 -9.111 -4.186 -14.689 1.00 1.25 H new ATOM 0 HE22 GLN A 59 -10.806 -4.320 -14.210 1.00 1.25 H new ATOM 922 N GLY A 60 -5.466 -4.812 -16.399 1.00 0.40 N ATOM 923 CA GLY A 60 -4.809 -4.607 -15.122 1.00 0.49 C ATOM 924 C GLY A 60 -4.399 -5.902 -14.444 1.00 0.44 C ATOM 925 O GLY A 60 -3.297 -6.398 -14.661 1.00 0.58 O ATOM 0 H GLY A 60 -4.926 -4.505 -17.208 1.00 0.40 H new ATOM 0 HA2 GLY A 60 -3.925 -3.987 -15.271 1.00 0.49 H new ATOM 0 HA3 GLY A 60 -5.478 -4.055 -14.462 1.00 0.49 H new ATOM 929 N ASN A 61 -5.284 -6.443 -13.619 1.00 0.47 N ATOM 930 CA ASN A 61 -4.997 -7.669 -12.893 1.00 0.52 C ATOM 931 C ASN A 61 -5.492 -8.873 -13.665 1.00 0.52 C ATOM 932 O ASN A 61 -6.538 -8.833 -14.306 1.00 0.49 O ATOM 933 CB ASN A 61 -5.623 -7.645 -11.499 1.00 0.63 C ATOM 934 CG ASN A 61 -4.890 -6.718 -10.554 1.00 1.27 C ATOM 935 OD1 ASN A 61 -5.192 -5.532 -10.479 1.00 2.20 O ATOM 936 ND2 ASN A 61 -3.923 -7.251 -9.823 1.00 1.71 N ATOM 0 H ASN A 61 -6.208 -6.051 -13.436 1.00 0.47 H new ATOM 0 HA ASN A 61 -3.915 -7.743 -12.780 1.00 0.52 H new ATOM 0 HB2 ASN A 61 -6.664 -7.332 -11.576 1.00 0.63 H new ATOM 0 HB3 ASN A 61 -5.624 -8.654 -11.086 1.00 0.63 H new ATOM 0 HD21 ASN A 61 -3.399 -6.670 -9.168 1.00 1.71 H new ATOM 0 HD22 ASN A 61 -3.702 -8.243 -9.915 1.00 1.71 H new ATOM 943 N THR A 62 -4.734 -9.944 -13.579 1.00 0.62 N ATOM 944 CA THR A 62 -5.020 -11.156 -14.315 1.00 0.71 C ATOM 945 C THR A 62 -6.275 -11.837 -13.777 1.00 0.70 C ATOM 946 O THR A 62 -7.052 -12.429 -14.525 1.00 0.82 O ATOM 947 CB THR A 62 -3.823 -12.109 -14.208 1.00 0.86 C ATOM 948 OG1 THR A 62 -3.633 -12.488 -12.836 1.00 0.87 O ATOM 949 CG2 THR A 62 -2.564 -11.427 -14.717 1.00 0.95 C ATOM 0 H THR A 62 -3.900 -9.999 -12.995 1.00 0.62 H new ATOM 0 HA THR A 62 -5.195 -10.898 -15.360 1.00 0.71 H new ATOM 0 HB THR A 62 -4.021 -12.994 -14.813 1.00 0.86 H new ATOM 0 HG1 THR A 62 -2.869 -13.098 -12.768 1.00 0.87 H new ATOM 0 HG21 THR A 62 -1.721 -12.113 -14.636 1.00 0.95 H new ATOM 0 HG22 THR A 62 -2.701 -11.142 -15.760 1.00 0.95 H new ATOM 0 HG23 THR A 62 -2.366 -10.537 -14.120 1.00 0.95 H new ATOM 957 N VAL A 63 -6.476 -11.712 -12.470 1.00 0.63 N ATOM 958 CA VAL A 63 -7.591 -12.359 -11.783 1.00 0.71 C ATOM 959 C VAL A 63 -8.914 -11.677 -12.117 1.00 0.64 C ATOM 960 O VAL A 63 -9.990 -12.188 -11.817 1.00 0.74 O ATOM 961 CB VAL A 63 -7.366 -12.323 -10.256 1.00 0.84 C ATOM 962 CG1 VAL A 63 -7.682 -10.950 -9.678 1.00 1.39 C ATOM 963 CG2 VAL A 63 -8.158 -13.421 -9.559 1.00 1.31 C ATOM 0 H VAL A 63 -5.874 -11.162 -11.857 1.00 0.63 H new ATOM 0 HA VAL A 63 -7.638 -13.394 -12.123 1.00 0.71 H new ATOM 0 HB VAL A 63 -6.309 -12.513 -10.072 1.00 0.84 H new ATOM 0 HG11 VAL A 63 -7.513 -10.961 -8.601 1.00 1.39 H new ATOM 0 HG12 VAL A 63 -7.036 -10.203 -10.140 1.00 1.39 H new ATOM 0 HG13 VAL A 63 -8.724 -10.702 -9.879 1.00 1.39 H new ATOM 0 HG21 VAL A 63 -7.980 -13.372 -8.485 1.00 1.31 H new ATOM 0 HG22 VAL A 63 -9.221 -13.285 -9.758 1.00 1.31 H new ATOM 0 HG23 VAL A 63 -7.840 -14.393 -9.935 1.00 1.31 H new ATOM 973 N ALA A 64 -8.817 -10.522 -12.744 1.00 0.55 N ATOM 974 CA ALA A 64 -9.980 -9.696 -13.004 1.00 0.53 C ATOM 975 C ALA A 64 -10.614 -10.022 -14.352 1.00 0.44 C ATOM 976 O ALA A 64 -11.707 -9.545 -14.670 1.00 0.56 O ATOM 977 CB ALA A 64 -9.586 -8.233 -12.915 1.00 0.57 C ATOM 0 H ALA A 64 -7.939 -10.132 -13.085 1.00 0.55 H new ATOM 0 HA ALA A 64 -10.736 -9.907 -12.248 1.00 0.53 H new ATOM 0 HB1 ALA A 64 -10.458 -7.609 -13.110 1.00 0.57 H new ATOM 0 HB2 ALA A 64 -9.203 -8.019 -11.917 1.00 0.57 H new ATOM 0 HB3 ALA A 64 -8.814 -8.019 -13.654 1.00 0.57 H new ATOM 983 N LEU A 65 -9.934 -10.848 -15.133 1.00 0.35 N ATOM 984 CA LEU A 65 -10.433 -11.249 -16.435 1.00 0.25 C ATOM 985 C LEU A 65 -10.661 -12.757 -16.448 1.00 0.22 C ATOM 986 O LEU A 65 -9.754 -13.530 -16.150 1.00 0.26 O ATOM 987 CB LEU A 65 -9.429 -10.843 -17.516 1.00 0.23 C ATOM 988 CG LEU A 65 -10.037 -10.319 -18.819 1.00 0.25 C ATOM 989 CD1 LEU A 65 -9.469 -8.958 -19.155 1.00 1.51 C ATOM 990 CD2 LEU A 65 -9.790 -11.302 -19.951 1.00 1.21 C ATOM 0 H LEU A 65 -9.032 -11.254 -14.884 1.00 0.35 H new ATOM 0 HA LEU A 65 -11.381 -10.751 -16.638 1.00 0.25 H new ATOM 0 HB2 LEU A 65 -8.773 -10.075 -17.107 1.00 0.23 H new ATOM 0 HB3 LEU A 65 -8.804 -11.705 -17.748 1.00 0.23 H new ATOM 0 HG LEU A 65 -11.114 -10.216 -18.686 1.00 0.25 H new ATOM 0 HD11 LEU A 65 -9.911 -8.599 -20.084 1.00 1.51 H new ATOM 0 HD12 LEU A 65 -9.698 -8.259 -18.350 1.00 1.51 H new ATOM 0 HD13 LEU A 65 -8.388 -9.034 -19.273 1.00 1.51 H new ATOM 0 HD21 LEU A 65 -10.228 -10.915 -20.871 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -8.717 -11.436 -20.089 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -10.247 -12.261 -19.706 1.00 1.21 H new ATOM 1002 N HIS A 66 -11.875 -13.173 -16.783 1.00 0.20 N ATOM 1003 CA HIS A 66 -12.229 -14.584 -16.729 1.00 0.21 C ATOM 1004 C HIS A 66 -12.700 -15.082 -18.088 1.00 0.15 C ATOM 1005 O HIS A 66 -13.258 -14.319 -18.880 1.00 0.15 O ATOM 1006 CB HIS A 66 -13.349 -14.820 -15.708 1.00 0.31 C ATOM 1007 CG HIS A 66 -13.081 -14.278 -14.332 1.00 0.53 C ATOM 1008 ND1 HIS A 66 -12.548 -15.019 -13.299 1.00 0.75 N ATOM 1009 CD2 HIS A 66 -13.317 -13.043 -13.821 1.00 0.76 C ATOM 1010 CE1 HIS A 66 -12.480 -14.231 -12.219 1.00 0.90 C ATOM 1011 NE2 HIS A 66 -12.936 -13.020 -12.483 1.00 0.91 N ATOM 0 H HIS A 66 -12.627 -12.557 -17.093 1.00 0.20 H new ATOM 0 HA HIS A 66 -11.335 -15.132 -16.432 1.00 0.21 H new ATOM 0 HB2 HIS A 66 -14.266 -14.369 -16.087 1.00 0.31 H new ATOM 0 HB3 HIS A 66 -13.529 -15.892 -15.631 1.00 0.31 H new ATOM 0 HD2 HIS A 66 -13.735 -12.210 -14.367 1.00 0.76 H new ATOM 0 HE1 HIS A 66 -12.102 -14.545 -11.257 1.00 0.90 H new ATOM 0 HE2 HIS A 66 -12.996 -12.231 -11.839 1.00 0.91 H new ATOM 1019 N PRO A 67 -12.476 -16.372 -18.381 1.00 0.15 N ATOM 1020 CA PRO A 67 -13.023 -17.008 -19.574 1.00 0.14 C ATOM 1021 C PRO A 67 -14.541 -17.124 -19.487 1.00 0.15 C ATOM 1022 O PRO A 67 -15.081 -17.593 -18.485 1.00 0.28 O ATOM 1023 CB PRO A 67 -12.372 -18.391 -19.584 1.00 0.19 C ATOM 1024 CG PRO A 67 -11.991 -18.648 -18.168 1.00 0.20 C ATOM 1025 CD PRO A 67 -11.666 -17.305 -17.576 1.00 0.19 C ATOM 0 HA PRO A 67 -12.820 -16.439 -20.481 1.00 0.14 H new ATOM 0 HB2 PRO A 67 -13.063 -19.150 -19.951 1.00 0.19 H new ATOM 0 HB3 PRO A 67 -11.500 -18.412 -20.237 1.00 0.19 H new ATOM 0 HG2 PRO A 67 -12.806 -19.127 -17.625 1.00 0.20 H new ATOM 0 HG3 PRO A 67 -11.133 -19.318 -18.110 1.00 0.20 H new ATOM 0 HD2 PRO A 67 -11.929 -17.257 -16.519 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -10.602 -17.080 -17.650 1.00 0.19 H new ATOM 1033 N GLY A 68 -15.223 -16.695 -20.536 1.00 0.15 N ATOM 1034 CA GLY A 68 -16.671 -16.669 -20.520 1.00 0.18 C ATOM 1035 C GLY A 68 -17.210 -15.278 -20.255 1.00 0.18 C ATOM 1036 O GLY A 68 -18.411 -15.041 -20.369 1.00 0.22 O ATOM 0 H GLY A 68 -14.799 -16.363 -21.402 1.00 0.15 H new ATOM 0 HA2 GLY A 68 -17.051 -17.029 -21.476 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -17.038 -17.352 -19.754 1.00 0.18 H new ATOM 1040 N ASP A 69 -16.321 -14.365 -19.886 1.00 0.18 N ATOM 1041 CA ASP A 69 -16.693 -12.967 -19.689 1.00 0.20 C ATOM 1042 C ASP A 69 -16.596 -12.208 -20.999 1.00 0.13 C ATOM 1043 O ASP A 69 -15.736 -12.502 -21.835 1.00 0.12 O ATOM 1044 CB ASP A 69 -15.797 -12.275 -18.654 1.00 0.27 C ATOM 1045 CG ASP A 69 -16.123 -12.643 -17.219 1.00 0.68 C ATOM 1046 OD1 ASP A 69 -17.191 -13.239 -16.972 1.00 1.28 O ATOM 1047 OD2 ASP A 69 -15.319 -12.305 -16.323 1.00 1.09 O ATOM 0 H ASP A 69 -15.336 -14.566 -19.716 1.00 0.18 H new ATOM 0 HA ASP A 69 -17.719 -12.960 -19.321 1.00 0.20 H new ATOM 0 HB2 ASP A 69 -14.757 -12.531 -18.858 1.00 0.27 H new ATOM 0 HB3 ASP A 69 -15.888 -11.195 -18.772 1.00 0.27 H new ATOM 1052 N THR A 70 -17.489 -11.250 -21.186 1.00 0.13 N ATOM 1053 CA THR A 70 -17.412 -10.371 -22.332 1.00 0.11 C ATOM 1054 C THR A 70 -16.249 -9.409 -22.155 1.00 0.10 C ATOM 1055 O THR A 70 -16.048 -8.853 -21.075 1.00 0.14 O ATOM 1056 CB THR A 70 -18.714 -9.573 -22.511 1.00 0.14 C ATOM 1057 OG1 THR A 70 -19.832 -10.429 -22.230 1.00 0.17 O ATOM 1058 CG2 THR A 70 -18.832 -9.026 -23.930 1.00 0.15 C ATOM 0 H THR A 70 -18.272 -11.065 -20.559 1.00 0.13 H new ATOM 0 HA THR A 70 -17.261 -10.982 -23.222 1.00 0.11 H new ATOM 0 HB THR A 70 -18.704 -8.729 -21.821 1.00 0.14 H new ATOM 0 HG1 THR A 70 -20.306 -10.632 -23.063 1.00 0.17 H new ATOM 0 HG21 THR A 70 -19.762 -8.466 -24.028 1.00 0.15 H new ATOM 0 HG22 THR A 70 -17.988 -8.368 -24.137 1.00 0.15 H new ATOM 0 HG23 THR A 70 -18.830 -9.853 -24.640 1.00 0.15 H new ATOM 1066 N VAL A 71 -15.463 -9.236 -23.197 1.00 0.10 N ATOM 1067 CA VAL A 71 -14.335 -8.333 -23.144 1.00 0.12 C ATOM 1068 C VAL A 71 -14.247 -7.501 -24.397 1.00 0.12 C ATOM 1069 O VAL A 71 -14.821 -7.832 -25.439 1.00 0.16 O ATOM 1070 CB VAL A 71 -12.994 -9.075 -22.932 1.00 0.17 C ATOM 1071 CG1 VAL A 71 -12.951 -9.751 -21.576 1.00 0.31 C ATOM 1072 CG2 VAL A 71 -12.754 -10.092 -24.031 1.00 0.24 C ATOM 0 H VAL A 71 -15.586 -9.710 -24.092 1.00 0.10 H new ATOM 0 HA VAL A 71 -14.505 -7.684 -22.285 1.00 0.12 H new ATOM 0 HB VAL A 71 -12.199 -8.330 -22.970 1.00 0.17 H new ATOM 0 HG11 VAL A 71 -11.997 -10.264 -21.455 1.00 0.31 H new ATOM 0 HG12 VAL A 71 -13.061 -9.002 -20.792 1.00 0.31 H new ATOM 0 HG13 VAL A 71 -13.764 -10.474 -21.504 1.00 0.31 H new ATOM 0 HG21 VAL A 71 -11.805 -10.599 -23.857 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -13.561 -10.824 -24.032 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -12.723 -9.585 -24.995 1.00 0.24 H new ATOM 1082 N GLU A 72 -13.538 -6.411 -24.273 1.00 0.14 N ATOM 1083 CA GLU A 72 -13.318 -5.521 -25.373 1.00 0.14 C ATOM 1084 C GLU A 72 -11.836 -5.523 -25.711 1.00 0.14 C ATOM 1085 O GLU A 72 -10.986 -5.437 -24.828 1.00 0.24 O ATOM 1086 CB GLU A 72 -13.851 -4.127 -25.024 1.00 0.21 C ATOM 1087 CG GLU A 72 -12.915 -2.991 -25.355 1.00 0.33 C ATOM 1088 CD GLU A 72 -13.637 -1.666 -25.487 1.00 0.42 C ATOM 1089 OE1 GLU A 72 -13.050 -0.622 -25.128 1.00 0.59 O ATOM 1090 OE2 GLU A 72 -14.808 -1.655 -25.913 1.00 0.78 O ATOM 0 H GLU A 72 -13.097 -6.117 -23.402 1.00 0.14 H new ATOM 0 HA GLU A 72 -13.861 -5.850 -26.259 1.00 0.14 H new ATOM 0 HB2 GLU A 72 -14.791 -3.970 -25.552 1.00 0.21 H new ATOM 0 HB3 GLU A 72 -14.075 -4.096 -23.958 1.00 0.21 H new ATOM 0 HG2 GLU A 72 -12.155 -2.912 -24.577 1.00 0.33 H new ATOM 0 HG3 GLU A 72 -12.395 -3.212 -26.287 1.00 0.33 H new ATOM 1097 N PHE A 73 -11.544 -5.666 -26.984 1.00 0.09 N ATOM 1098 CA PHE A 73 -10.183 -5.845 -27.455 1.00 0.08 C ATOM 1099 C PHE A 73 -9.997 -5.105 -28.760 1.00 0.07 C ATOM 1100 O PHE A 73 -10.936 -4.512 -29.279 1.00 0.07 O ATOM 1101 CB PHE A 73 -9.883 -7.333 -27.646 1.00 0.08 C ATOM 1102 CG PHE A 73 -10.900 -8.054 -28.491 1.00 0.08 C ATOM 1103 CD1 PHE A 73 -10.685 -8.270 -29.842 1.00 0.09 C ATOM 1104 CD2 PHE A 73 -12.074 -8.520 -27.924 1.00 0.11 C ATOM 1105 CE1 PHE A 73 -11.618 -8.940 -30.606 1.00 0.10 C ATOM 1106 CE2 PHE A 73 -13.008 -9.189 -28.683 1.00 0.11 C ATOM 1107 CZ PHE A 73 -12.783 -9.398 -30.027 1.00 0.10 C ATOM 0 H PHE A 73 -12.243 -5.662 -27.726 1.00 0.09 H new ATOM 0 HA PHE A 73 -9.492 -5.443 -26.714 1.00 0.08 H new ATOM 0 HB2 PHE A 73 -8.901 -7.440 -28.106 1.00 0.08 H new ATOM 0 HB3 PHE A 73 -9.831 -7.812 -26.668 1.00 0.08 H new ATOM 0 HD1 PHE A 73 -9.777 -7.910 -30.302 1.00 0.09 H new ATOM 0 HD2 PHE A 73 -12.260 -8.357 -26.873 1.00 0.11 H new ATOM 0 HE1 PHE A 73 -11.436 -9.106 -31.658 1.00 0.10 H new ATOM 0 HE2 PHE A 73 -13.917 -9.550 -28.225 1.00 0.11 H new ATOM 0 HZ PHE A 73 -13.517 -9.919 -30.625 1.00 0.10 H new ATOM 1117 N SER A 74 -8.800 -5.148 -29.306 1.00 0.09 N ATOM 1118 CA SER A 74 -8.541 -4.461 -30.553 1.00 0.10 C ATOM 1119 C SER A 74 -7.896 -5.423 -31.525 1.00 0.12 C ATOM 1120 O SER A 74 -6.825 -5.965 -31.254 1.00 0.19 O ATOM 1121 CB SER A 74 -7.652 -3.236 -30.321 1.00 0.15 C ATOM 1122 OG SER A 74 -8.076 -2.502 -29.181 1.00 0.86 O ATOM 0 H SER A 74 -8.001 -5.644 -28.912 1.00 0.09 H new ATOM 0 HA SER A 74 -9.482 -4.108 -30.974 1.00 0.10 H new ATOM 0 HB2 SER A 74 -6.618 -3.554 -30.188 1.00 0.15 H new ATOM 0 HB3 SER A 74 -7.677 -2.593 -31.201 1.00 0.15 H new ATOM 0 HG SER A 74 -7.839 -2.995 -28.368 1.00 0.86 H new ATOM 1128 N VAL A 75 -8.560 -5.647 -32.645 1.00 0.17 N ATOM 1129 CA VAL A 75 -8.115 -6.642 -33.596 1.00 0.19 C ATOM 1130 C VAL A 75 -7.034 -6.074 -34.518 1.00 0.20 C ATOM 1131 O VAL A 75 -7.311 -5.343 -35.470 1.00 0.27 O ATOM 1132 CB VAL A 75 -9.304 -7.220 -34.407 1.00 0.27 C ATOM 1133 CG1 VAL A 75 -10.094 -6.122 -35.105 1.00 0.33 C ATOM 1134 CG2 VAL A 75 -8.827 -8.257 -35.411 1.00 0.36 C ATOM 0 H VAL A 75 -9.409 -5.151 -32.916 1.00 0.17 H new ATOM 0 HA VAL A 75 -7.674 -7.465 -33.034 1.00 0.19 H new ATOM 0 HB VAL A 75 -9.972 -7.710 -33.698 1.00 0.27 H new ATOM 0 HG11 VAL A 75 -10.919 -6.566 -35.663 1.00 0.33 H new ATOM 0 HG12 VAL A 75 -10.490 -5.430 -34.362 1.00 0.33 H new ATOM 0 HG13 VAL A 75 -9.440 -5.583 -35.791 1.00 0.33 H new ATOM 0 HG21 VAL A 75 -9.681 -8.646 -35.966 1.00 0.36 H new ATOM 0 HG22 VAL A 75 -8.123 -7.796 -36.104 1.00 0.36 H new ATOM 0 HG23 VAL A 75 -8.334 -9.074 -34.884 1.00 0.36 H new ATOM 1144 N VAL A 76 -5.789 -6.388 -34.195 1.00 0.19 N ATOM 1145 CA VAL A 76 -4.668 -5.980 -35.015 1.00 0.26 C ATOM 1146 C VAL A 76 -4.131 -7.179 -35.789 1.00 0.25 C ATOM 1147 O VAL A 76 -3.789 -8.209 -35.208 1.00 0.25 O ATOM 1148 CB VAL A 76 -3.542 -5.317 -34.177 1.00 0.33 C ATOM 1149 CG1 VAL A 76 -3.009 -6.250 -33.098 1.00 0.32 C ATOM 1150 CG2 VAL A 76 -2.415 -4.842 -35.078 1.00 0.42 C ATOM 0 H VAL A 76 -5.533 -6.926 -33.367 1.00 0.19 H new ATOM 0 HA VAL A 76 -5.024 -5.227 -35.718 1.00 0.26 H new ATOM 0 HB VAL A 76 -3.977 -4.454 -33.673 1.00 0.33 H new ATOM 0 HG11 VAL A 76 -2.223 -5.745 -32.536 1.00 0.32 H new ATOM 0 HG12 VAL A 76 -3.819 -6.525 -32.422 1.00 0.32 H new ATOM 0 HG13 VAL A 76 -2.603 -7.149 -33.562 1.00 0.32 H new ATOM 0 HG21 VAL A 76 -1.635 -4.380 -34.473 1.00 0.42 H new ATOM 0 HG22 VAL A 76 -1.999 -5.692 -35.619 1.00 0.42 H new ATOM 0 HG23 VAL A 76 -2.801 -4.113 -35.790 1.00 0.42 H new ATOM 1160 N THR A 77 -4.099 -7.055 -37.102 1.00 0.34 N ATOM 1161 CA THR A 77 -3.666 -8.141 -37.958 1.00 0.38 C ATOM 1162 C THR A 77 -2.156 -8.134 -38.125 1.00 0.44 C ATOM 1163 O THR A 77 -1.566 -7.120 -38.496 1.00 0.56 O ATOM 1164 CB THR A 77 -4.345 -8.052 -39.335 1.00 0.57 C ATOM 1165 OG1 THR A 77 -5.770 -7.985 -39.157 1.00 0.67 O ATOM 1166 CG2 THR A 77 -3.985 -9.254 -40.208 1.00 0.62 C ATOM 0 H THR A 77 -4.370 -6.207 -37.601 1.00 0.34 H new ATOM 0 HA THR A 77 -3.958 -9.076 -37.480 1.00 0.38 H new ATOM 0 HB THR A 77 -3.991 -7.153 -39.840 1.00 0.57 H new ATOM 0 HG1 THR A 77 -6.076 -8.776 -38.665 1.00 0.67 H new ATOM 0 HG21 THR A 77 -4.480 -9.163 -41.175 1.00 0.62 H new ATOM 0 HG22 THR A 77 -2.905 -9.287 -40.355 1.00 0.62 H new ATOM 0 HG23 THR A 77 -4.313 -10.171 -39.718 1.00 0.62 H new ATOM 1174 N ASN A 78 -1.538 -9.265 -37.827 1.00 0.44 N ATOM 1175 CA ASN A 78 -0.115 -9.437 -38.021 1.00 0.57 C ATOM 1176 C ASN A 78 0.211 -9.342 -39.503 1.00 0.66 C ATOM 1177 O ASN A 78 -0.139 -10.231 -40.274 1.00 0.70 O ATOM 1178 CB ASN A 78 0.338 -10.793 -37.472 1.00 0.64 C ATOM 1179 CG ASN A 78 0.251 -10.883 -35.957 1.00 1.10 C ATOM 1180 OD1 ASN A 78 -0.765 -11.299 -35.406 1.00 1.82 O ATOM 1181 ND2 ASN A 78 1.315 -10.501 -35.271 1.00 1.54 N ATOM 0 H ASN A 78 -2.010 -10.085 -37.445 1.00 0.44 H new ATOM 0 HA ASN A 78 0.414 -8.651 -37.483 1.00 0.57 H new ATOM 0 HB2 ASN A 78 -0.275 -11.579 -37.912 1.00 0.64 H new ATOM 0 HB3 ASN A 78 1.366 -10.979 -37.782 1.00 0.64 H new ATOM 0 HD21 ASN A 78 1.308 -10.547 -34.252 1.00 1.54 H new ATOM 0 HD22 ASN A 78 2.142 -10.161 -35.761 1.00 1.54 H new ATOM 1188 N GLN A 79 0.875 -8.265 -39.891 1.00 0.79 N ATOM 1189 CA GLN A 79 1.172 -8.002 -41.297 1.00 0.91 C ATOM 1190 C GLN A 79 2.033 -9.097 -41.920 1.00 0.94 C ATOM 1191 O GLN A 79 2.025 -9.284 -43.136 1.00 1.06 O ATOM 1192 CB GLN A 79 1.839 -6.628 -41.455 1.00 1.09 C ATOM 1193 CG GLN A 79 2.927 -6.324 -40.427 1.00 1.18 C ATOM 1194 CD GLN A 79 4.299 -6.841 -40.807 1.00 1.43 C ATOM 1195 OE1 GLN A 79 4.691 -7.938 -40.422 1.00 1.95 O ATOM 1196 NE2 GLN A 79 5.046 -6.045 -41.548 1.00 1.90 N ATOM 0 H GLN A 79 1.222 -7.552 -39.250 1.00 0.79 H new ATOM 0 HA GLN A 79 0.224 -7.999 -41.835 1.00 0.91 H new ATOM 0 HB2 GLN A 79 2.273 -6.563 -42.453 1.00 1.09 H new ATOM 0 HB3 GLN A 79 1.071 -5.857 -41.390 1.00 1.09 H new ATOM 0 HG2 GLN A 79 2.984 -5.245 -40.283 1.00 1.18 H new ATOM 0 HG3 GLN A 79 2.639 -6.759 -39.470 1.00 1.18 H new ATOM 0 HE21 GLN A 79 4.684 -5.140 -41.849 1.00 1.90 H new ATOM 0 HE22 GLN A 79 5.985 -6.335 -41.820 1.00 1.90 H new ATOM 1205 N ARG A 80 2.767 -9.827 -41.092 1.00 0.93 N ATOM 1206 CA ARG A 80 3.627 -10.878 -41.598 1.00 1.03 C ATOM 1207 C ARG A 80 2.914 -12.229 -41.582 1.00 1.02 C ATOM 1208 O ARG A 80 2.946 -12.967 -42.564 1.00 1.21 O ATOM 1209 CB ARG A 80 4.924 -10.967 -40.787 1.00 1.18 C ATOM 1210 CG ARG A 80 5.939 -11.969 -41.335 1.00 1.35 C ATOM 1211 CD ARG A 80 6.386 -11.625 -42.758 1.00 1.67 C ATOM 1212 NE ARG A 80 5.369 -11.946 -43.763 1.00 2.41 N ATOM 1213 CZ ARG A 80 5.268 -11.340 -44.950 1.00 3.02 C ATOM 1214 NH1 ARG A 80 6.124 -10.384 -45.297 1.00 3.01 N ATOM 1215 NH2 ARG A 80 4.303 -11.690 -45.789 1.00 3.99 N ATOM 0 H ARG A 80 2.782 -9.710 -40.079 1.00 0.93 H new ATOM 0 HA ARG A 80 3.875 -10.626 -42.629 1.00 1.03 H new ATOM 0 HB2 ARG A 80 5.386 -9.980 -40.753 1.00 1.18 H new ATOM 0 HB3 ARG A 80 4.679 -11.240 -39.760 1.00 1.18 H new ATOM 0 HG2 ARG A 80 6.810 -11.996 -40.680 1.00 1.35 H new ATOM 0 HG3 ARG A 80 5.502 -12.967 -41.325 1.00 1.35 H new ATOM 0 HD2 ARG A 80 6.623 -10.562 -42.813 1.00 1.67 H new ATOM 0 HD3 ARG A 80 7.303 -12.168 -42.988 1.00 1.67 H new ATOM 0 HE ARG A 80 4.695 -12.679 -43.543 1.00 2.41 H new ATOM 0 HH11 ARG A 80 6.867 -10.107 -44.655 1.00 3.01 H new ATOM 0 HH12 ARG A 80 6.038 -9.928 -46.205 1.00 3.01 H new ATOM 0 HH21 ARG A 80 3.640 -12.420 -45.528 1.00 3.99 H new ATOM 0 HH22 ARG A 80 4.223 -11.229 -46.696 1.00 3.99 H new ATOM 1229 N ASN A 81 2.272 -12.546 -40.462 1.00 0.91 N ATOM 1230 CA ASN A 81 1.654 -13.857 -40.282 1.00 1.01 C ATOM 1231 C ASN A 81 0.285 -13.930 -40.955 1.00 0.87 C ATOM 1232 O ASN A 81 -0.144 -14.997 -41.393 1.00 1.04 O ATOM 1233 CB ASN A 81 1.514 -14.181 -38.794 1.00 1.16 C ATOM 1234 CG ASN A 81 2.847 -14.186 -38.063 1.00 1.53 C ATOM 1235 OD1 ASN A 81 3.279 -13.162 -37.533 1.00 1.95 O ATOM 1236 ND2 ASN A 81 3.508 -15.332 -38.040 1.00 2.21 N ATOM 0 H ASN A 81 2.166 -11.916 -39.667 1.00 0.91 H new ATOM 0 HA ASN A 81 2.305 -14.593 -40.754 1.00 1.01 H new ATOM 0 HB2 ASN A 81 0.853 -13.450 -38.329 1.00 1.16 H new ATOM 0 HB3 ASN A 81 1.040 -15.156 -38.682 1.00 1.16 H new ATOM 0 HD21 ASN A 81 4.412 -15.390 -37.570 1.00 2.21 H new ATOM 0 HD22 ASN A 81 3.114 -16.157 -38.492 1.00 2.21 H new ATOM 1243 N GLY A 82 -0.407 -12.802 -41.017 1.00 0.68 N ATOM 1244 CA GLY A 82 -1.723 -12.765 -41.634 1.00 0.69 C ATOM 1245 C GLY A 82 -2.839 -13.033 -40.638 1.00 0.52 C ATOM 1246 O GLY A 82 -4.017 -12.862 -40.947 1.00 0.58 O ATOM 0 H GLY A 82 -0.082 -11.907 -40.651 1.00 0.68 H new ATOM 0 HA2 GLY A 82 -1.878 -11.789 -42.095 1.00 0.69 H new ATOM 0 HA3 GLY A 82 -1.767 -13.505 -42.433 1.00 0.69 H new ATOM 1250 N LYS A 83 -2.459 -13.460 -39.444 1.00 0.45 N ATOM 1251 CA LYS A 83 -3.409 -13.709 -38.369 1.00 0.39 C ATOM 1252 C LYS A 83 -3.515 -12.465 -37.504 1.00 0.35 C ATOM 1253 O LYS A 83 -2.604 -11.650 -37.488 1.00 0.49 O ATOM 1254 CB LYS A 83 -2.950 -14.913 -37.536 1.00 0.53 C ATOM 1255 CG LYS A 83 -1.557 -14.737 -36.956 1.00 0.64 C ATOM 1256 CD LYS A 83 -0.942 -16.041 -36.463 1.00 1.01 C ATOM 1257 CE LYS A 83 -1.233 -16.291 -34.992 1.00 1.61 C ATOM 1258 NZ LYS A 83 -0.388 -17.384 -34.441 1.00 2.42 N ATOM 0 H LYS A 83 -1.488 -13.643 -39.192 1.00 0.45 H new ATOM 0 HA LYS A 83 -4.390 -13.937 -38.785 1.00 0.39 H new ATOM 0 HB2 LYS A 83 -3.658 -15.077 -36.723 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -2.968 -15.807 -38.159 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -0.907 -14.301 -37.715 1.00 0.64 H new ATOM 0 HG3 LYS A 83 -1.602 -14.029 -36.129 1.00 0.64 H new ATOM 0 HD2 LYS A 83 -1.329 -16.870 -37.055 1.00 1.01 H new ATOM 0 HD3 LYS A 83 0.136 -16.014 -36.619 1.00 1.01 H new ATOM 0 HE2 LYS A 83 -1.059 -15.376 -34.426 1.00 1.61 H new ATOM 0 HE3 LYS A 83 -2.285 -16.547 -34.868 1.00 1.61 H new ATOM 0 HZ1 LYS A 83 -0.615 -17.525 -33.436 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 -0.573 -18.263 -34.965 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 0.616 -17.129 -34.537 1.00 2.42 H new ATOM 1272 N SER A 84 -4.621 -12.300 -36.806 1.00 0.31 N ATOM 1273 CA SER A 84 -4.799 -11.121 -35.978 1.00 0.25 C ATOM 1274 C SER A 84 -4.694 -11.467 -34.498 1.00 0.24 C ATOM 1275 O SER A 84 -4.669 -12.643 -34.123 1.00 0.30 O ATOM 1276 CB SER A 84 -6.146 -10.471 -36.275 1.00 0.27 C ATOM 1277 OG SER A 84 -6.400 -10.445 -37.670 1.00 1.08 O ATOM 0 H SER A 84 -5.401 -12.957 -36.794 1.00 0.31 H new ATOM 0 HA SER A 84 -4.003 -10.415 -36.215 1.00 0.25 H new ATOM 0 HB2 SER A 84 -6.939 -11.020 -35.767 1.00 0.27 H new ATOM 0 HB3 SER A 84 -6.159 -9.455 -35.880 1.00 0.27 H new ATOM 0 HG SER A 84 -7.270 -10.025 -37.836 1.00 1.08 H new ATOM 1283 N SER A 85 -4.649 -10.434 -33.668 1.00 0.20 N ATOM 1284 CA SER A 85 -4.503 -10.599 -32.231 1.00 0.20 C ATOM 1285 C SER A 85 -5.314 -9.535 -31.495 1.00 0.18 C ATOM 1286 O SER A 85 -5.679 -8.509 -32.078 1.00 0.26 O ATOM 1287 CB SER A 85 -3.025 -10.524 -31.838 1.00 0.25 C ATOM 1288 OG SER A 85 -2.381 -9.440 -32.483 1.00 0.87 O ATOM 0 H SER A 85 -4.712 -9.462 -33.972 1.00 0.20 H new ATOM 0 HA SER A 85 -4.884 -11.580 -31.946 1.00 0.20 H new ATOM 0 HB2 SER A 85 -2.938 -10.412 -30.757 1.00 0.25 H new ATOM 0 HB3 SER A 85 -2.527 -11.457 -32.103 1.00 0.25 H new ATOM 0 HG SER A 85 -1.439 -9.413 -32.215 1.00 0.87 H new ATOM 1294 N ALA A 86 -5.615 -9.795 -30.228 1.00 0.14 N ATOM 1295 CA ALA A 86 -6.357 -8.865 -29.407 1.00 0.12 C ATOM 1296 C ALA A 86 -5.408 -8.021 -28.575 1.00 0.13 C ATOM 1297 O ALA A 86 -4.578 -8.548 -27.833 1.00 0.17 O ATOM 1298 CB ALA A 86 -7.324 -9.623 -28.507 1.00 0.13 C ATOM 0 H ALA A 86 -5.350 -10.655 -29.749 1.00 0.14 H new ATOM 0 HA ALA A 86 -6.929 -8.201 -30.055 1.00 0.12 H new ATOM 0 HB1 ALA A 86 -7.879 -8.915 -27.892 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -8.020 -10.194 -29.121 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -6.765 -10.303 -27.864 1.00 0.13 H new ATOM 1304 N CYS A 87 -5.524 -6.717 -28.712 1.00 0.14 N ATOM 1305 CA CYS A 87 -4.734 -5.791 -27.923 1.00 0.17 C ATOM 1306 C CYS A 87 -5.678 -4.982 -27.071 1.00 0.17 C ATOM 1307 O CYS A 87 -6.814 -4.739 -27.478 1.00 0.21 O ATOM 1308 CB CYS A 87 -3.942 -4.850 -28.833 1.00 0.22 C ATOM 1309 SG CYS A 87 -2.296 -4.407 -28.232 1.00 0.68 S ATOM 0 H CYS A 87 -6.164 -6.270 -29.368 1.00 0.14 H new ATOM 0 HA CYS A 87 -4.029 -6.345 -27.304 1.00 0.17 H new ATOM 0 HB2 CYS A 87 -3.840 -5.317 -29.813 1.00 0.22 H new ATOM 0 HB3 CYS A 87 -4.518 -3.936 -28.974 1.00 0.22 H new ATOM 0 HG CYS A 87 -2.274 -4.478 -26.934 1.00 0.68 H new ATOM 1315 N ASN A 88 -5.214 -4.577 -25.906 1.00 0.17 N ATOM 1316 CA ASN A 88 -6.037 -3.829 -24.965 1.00 0.20 C ATOM 1317 C ASN A 88 -7.295 -4.619 -24.617 1.00 0.18 C ATOM 1318 O ASN A 88 -8.387 -4.292 -25.074 1.00 0.27 O ATOM 1319 CB ASN A 88 -6.426 -2.447 -25.521 1.00 0.27 C ATOM 1320 CG ASN A 88 -5.239 -1.536 -25.762 1.00 0.99 C ATOM 1321 OD1 ASN A 88 -4.138 -1.986 -26.076 1.00 1.82 O ATOM 1322 ND2 ASN A 88 -5.454 -0.241 -25.605 1.00 1.60 N ATOM 0 H ASN A 88 -4.263 -4.753 -25.582 1.00 0.17 H new ATOM 0 HA ASN A 88 -5.444 -3.674 -24.063 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -6.968 -2.580 -26.458 1.00 0.27 H new ATOM 0 HB3 ASN A 88 -7.110 -1.963 -24.824 1.00 0.27 H new ATOM 0 HD21 ASN A 88 -4.693 0.423 -25.745 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -6.381 0.094 -25.344 1.00 1.60 H new ATOM 1329 N VAL A 89 -7.130 -5.679 -23.838 1.00 0.14 N ATOM 1330 CA VAL A 89 -8.252 -6.518 -23.436 1.00 0.15 C ATOM 1331 C VAL A 89 -8.868 -6.006 -22.144 1.00 0.19 C ATOM 1332 O VAL A 89 -8.308 -6.155 -21.062 1.00 0.32 O ATOM 1333 CB VAL A 89 -7.830 -7.999 -23.269 1.00 0.15 C ATOM 1334 CG1 VAL A 89 -8.989 -8.837 -22.757 1.00 0.22 C ATOM 1335 CG2 VAL A 89 -7.309 -8.563 -24.588 1.00 0.14 C ATOM 0 H VAL A 89 -6.227 -5.980 -23.470 1.00 0.14 H new ATOM 0 HA VAL A 89 -8.995 -6.467 -24.232 1.00 0.15 H new ATOM 0 HB VAL A 89 -7.026 -8.039 -22.534 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -8.669 -9.873 -22.648 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -9.315 -8.454 -21.790 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -9.816 -8.786 -23.465 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -7.018 -9.604 -24.449 1.00 0.14 H new ATOM 0 HG22 VAL A 89 -8.092 -8.503 -25.344 1.00 0.14 H new ATOM 0 HG23 VAL A 89 -6.444 -7.985 -24.915 1.00 0.14 H new ATOM 1345 N LEU A 90 -10.022 -5.386 -22.281 1.00 0.11 N ATOM 1346 CA LEU A 90 -10.729 -4.814 -21.152 1.00 0.16 C ATOM 1347 C LEU A 90 -11.944 -5.656 -20.798 1.00 0.11 C ATOM 1348 O LEU A 90 -12.562 -6.275 -21.662 1.00 0.13 O ATOM 1349 CB LEU A 90 -11.178 -3.377 -21.454 1.00 0.26 C ATOM 1350 CG LEU A 90 -10.107 -2.273 -21.417 1.00 0.43 C ATOM 1351 CD1 LEU A 90 -9.445 -2.189 -20.054 1.00 0.99 C ATOM 1352 CD2 LEU A 90 -9.065 -2.485 -22.496 1.00 1.12 C ATOM 0 H LEU A 90 -10.496 -5.264 -23.176 1.00 0.11 H new ATOM 0 HA LEU A 90 -10.041 -4.800 -20.307 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -11.635 -3.369 -22.444 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -11.958 -3.112 -20.741 1.00 0.26 H new ATOM 0 HG LEU A 90 -10.612 -1.326 -21.608 1.00 0.43 H new ATOM 0 HD11 LEU A 90 -8.694 -1.399 -20.062 1.00 0.99 H new ATOM 0 HD12 LEU A 90 -10.197 -1.966 -19.297 1.00 0.99 H new ATOM 0 HD13 LEU A 90 -8.968 -3.141 -19.822 1.00 0.99 H new ATOM 0 HD21 LEU A 90 -8.322 -1.690 -22.445 1.00 1.12 H new ATOM 0 HD22 LEU A 90 -8.577 -3.448 -22.346 1.00 1.12 H new ATOM 0 HD23 LEU A 90 -9.546 -2.470 -23.474 1.00 1.12 H new ATOM 1364 N LYS A 91 -12.282 -5.664 -19.523 1.00 0.16 N ATOM 1365 CA LYS A 91 -13.410 -6.443 -19.032 1.00 0.18 C ATOM 1366 C LYS A 91 -14.725 -5.710 -19.256 1.00 0.18 C ATOM 1367 O LYS A 91 -14.866 -4.540 -18.905 1.00 0.32 O ATOM 1368 CB LYS A 91 -13.229 -6.772 -17.552 1.00 0.27 C ATOM 1369 CG LYS A 91 -12.764 -8.195 -17.309 1.00 0.45 C ATOM 1370 CD LYS A 91 -13.838 -9.195 -17.705 1.00 0.59 C ATOM 1371 CE LYS A 91 -15.032 -9.126 -16.768 1.00 0.71 C ATOM 1372 NZ LYS A 91 -14.763 -9.810 -15.477 1.00 1.33 N ATOM 0 H LYS A 91 -11.790 -5.137 -18.802 1.00 0.16 H new ATOM 0 HA LYS A 91 -13.444 -7.375 -19.596 1.00 0.18 H new ATOM 0 HB2 LYS A 91 -12.506 -6.081 -17.119 1.00 0.27 H new ATOM 0 HB3 LYS A 91 -14.174 -6.612 -17.033 1.00 0.27 H new ATOM 0 HG2 LYS A 91 -11.855 -8.387 -17.880 1.00 0.45 H new ATOM 0 HG3 LYS A 91 -12.512 -8.324 -16.256 1.00 0.45 H new ATOM 0 HD2 LYS A 91 -14.163 -8.997 -18.726 1.00 0.59 H new ATOM 0 HD3 LYS A 91 -13.422 -10.202 -17.693 1.00 0.59 H new ATOM 0 HE2 LYS A 91 -15.286 -8.083 -16.580 1.00 0.71 H new ATOM 0 HE3 LYS A 91 -15.897 -9.584 -17.248 1.00 0.71 H new ATOM 0 HZ1 LYS A 91 -15.323 -9.362 -14.724 1.00 1.33 H new ATOM 0 HZ2 LYS A 91 -15.026 -10.813 -15.554 1.00 1.33 H new ATOM 0 HZ3 LYS A 91 -13.751 -9.734 -15.248 1.00 1.33 H new ATOM 1386 N ILE A 92 -15.681 -6.412 -19.849 1.00 0.16 N ATOM 1387 CA ILE A 92 -16.977 -5.835 -20.163 1.00 0.18 C ATOM 1388 C ILE A 92 -18.085 -6.570 -19.409 1.00 0.27 C ATOM 1389 O ILE A 92 -18.014 -7.784 -19.222 1.00 0.28 O ATOM 1390 CB ILE A 92 -17.239 -5.917 -21.688 1.00 0.16 C ATOM 1391 CG1 ILE A 92 -16.154 -5.159 -22.460 1.00 0.15 C ATOM 1392 CG2 ILE A 92 -18.616 -5.375 -22.051 1.00 0.21 C ATOM 1393 CD1 ILE A 92 -16.131 -3.675 -22.161 1.00 0.16 C ATOM 0 H ILE A 92 -15.580 -7.389 -20.123 1.00 0.16 H new ATOM 0 HA ILE A 92 -16.975 -4.790 -19.854 1.00 0.18 H new ATOM 0 HB ILE A 92 -17.208 -6.969 -21.970 1.00 0.16 H new ATOM 0 HG12 ILE A 92 -15.181 -5.586 -22.219 1.00 0.15 H new ATOM 0 HG13 ILE A 92 -16.310 -5.305 -23.529 1.00 0.15 H new ATOM 0 HG21 ILE A 92 -18.764 -5.449 -23.128 1.00 0.21 H new ATOM 0 HG22 ILE A 92 -19.383 -5.957 -21.539 1.00 0.21 H new ATOM 0 HG23 ILE A 92 -18.688 -4.331 -21.746 1.00 0.21 H new ATOM 0 HD11 ILE A 92 -15.340 -3.199 -22.740 1.00 0.16 H new ATOM 0 HD12 ILE A 92 -17.092 -3.235 -22.429 1.00 0.16 H new ATOM 0 HD13 ILE A 92 -15.945 -3.521 -21.098 1.00 0.16 H new ATOM 1405 N ASN A 93 -19.089 -5.838 -18.947 1.00 0.45 N ATOM 1406 CA ASN A 93 -20.241 -6.470 -18.318 1.00 0.65 C ATOM 1407 C ASN A 93 -21.315 -6.718 -19.374 1.00 0.72 C ATOM 1408 O ASN A 93 -21.762 -5.795 -20.056 1.00 0.80 O ATOM 1409 CB ASN A 93 -20.783 -5.622 -17.150 1.00 0.84 C ATOM 1410 CG ASN A 93 -21.538 -4.377 -17.591 1.00 1.79 C ATOM 1411 OD1 ASN A 93 -20.945 -3.325 -17.825 1.00 2.50 O ATOM 1412 ND2 ASN A 93 -22.859 -4.478 -17.679 1.00 2.57 N ATOM 0 H ASN A 93 -19.131 -4.820 -18.994 1.00 0.45 H new ATOM 0 HA ASN A 93 -19.934 -7.425 -17.892 1.00 0.65 H new ATOM 0 HB2 ASN A 93 -21.444 -6.239 -16.542 1.00 0.84 H new ATOM 0 HB3 ASN A 93 -19.950 -5.324 -16.513 1.00 0.84 H new ATOM 0 HD21 ASN A 93 -23.416 -3.667 -17.948 1.00 2.57 H new ATOM 0 HD22 ASN A 93 -23.317 -5.367 -17.478 1.00 2.57 H new ATOM 1419 N ASP A 94 -21.694 -7.979 -19.529 1.00 0.91 N ATOM 1420 CA ASP A 94 -22.634 -8.387 -20.569 1.00 1.18 C ATOM 1421 C ASP A 94 -22.972 -9.866 -20.411 1.00 1.71 C ATOM 1422 O ASP A 94 -22.606 -10.471 -19.402 1.00 2.21 O ATOM 1423 CB ASP A 94 -22.040 -8.125 -21.960 1.00 1.74 C ATOM 1424 CG ASP A 94 -22.843 -8.754 -23.076 1.00 2.42 C ATOM 1425 OD1 ASP A 94 -23.772 -8.094 -23.594 1.00 3.08 O ATOM 1426 OD2 ASP A 94 -22.541 -9.903 -23.447 1.00 2.81 O ATOM 0 H ASP A 94 -21.362 -8.745 -18.943 1.00 0.91 H new ATOM 0 HA ASP A 94 -23.547 -7.801 -20.467 1.00 1.18 H new ATOM 0 HB2 ASP A 94 -21.979 -7.049 -22.126 1.00 1.74 H new ATOM 0 HB3 ASP A 94 -21.021 -8.510 -21.992 1.00 1.74 H new TER 1431 ASP A 94