USER MOD reduce.3.24.130724 H: found=0, std=0, add=1035, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1035 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 ASN : amide:sc= 0.242 K(o=-3,f=-14!) USER MOD Set 1.2: A 83 MET CE :methyl 170:sc= -3.23! (180deg=-3.41!) USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= -0.28 USER MOD Set 2.2: A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -157:sc= -0.251 (180deg=-0.819) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0539 (180deg=-0.334) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0.183 K(o=0.18,f=-1.2) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 23 GLN : amide:sc= -2.59! C(o=-2.6!,f=-4.1!) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 26 GLN : amide:sc= -0.0722 X(o=-0.072,f=-0.073) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 32 GLN : amide:sc= -0.896 K(o=-0.9,f=-6!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0438) USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= -0.0192 (180deg=-0.187) USER MOD Single : A 55 ASN : amide:sc= -0.95 K(o=-0.95,f=-4.1!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 63 ASN : amide:sc=-0.00514 K(o=-0.0051,f=-1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 170:sc=-0.00914 USER MOD Single : A 72 SER OG : rot -101:sc= 1.06 USER MOD Single : A 77 GLN : amide:sc= 1.18 K(o=1.2,f=-0.0068) USER MOD Single : A 78 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 90 LYS NZ :NH3+ -166:sc= -0.058 (180deg=-0.278) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HE2:sc= 0.0764 K(o=0.37,f=-2.3) USER MOD Single : A 113 CYS SG : rot 128:sc= 1.09 USER MOD Single : A 119 SER OG : rot 180:sc= -0.957 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.613 -4.612 27.609 1.00 44.04 N ATOM 2 CA MET A 1 -4.913 -5.307 26.508 1.00 43.00 C ATOM 3 C MET A 1 -3.743 -4.473 26.013 1.00 23.13 C ATOM 4 O MET A 1 -3.887 -3.276 25.769 1.00 21.32 O ATOM 5 CB MET A 1 -5.880 -5.568 25.351 1.00 43.13 C ATOM 6 CG MET A 1 -7.043 -6.480 25.715 1.00 41.22 C ATOM 7 SD MET A 1 -8.253 -6.623 24.384 1.00 72.40 S ATOM 8 CE MET A 1 -8.835 -4.931 24.262 1.00 21.01 C ATOM 0 H1 MET A 1 -6.197 -5.294 28.134 1.00 44.04 H new ATOM 0 H2 MET A 1 -4.914 -4.188 28.252 1.00 44.04 H new ATOM 0 H3 MET A 1 -6.221 -3.865 27.217 1.00 44.04 H new ATOM 0 HA MET A 1 -4.537 -6.258 26.886 1.00 43.00 H new ATOM 0 HB2 MET A 1 -6.275 -4.615 24.998 1.00 43.13 H new ATOM 0 HB3 MET A 1 -5.328 -6.012 24.522 1.00 43.13 H new ATOM 0 HG2 MET A 1 -6.660 -7.470 25.962 1.00 41.22 H new ATOM 0 HG3 MET A 1 -7.535 -6.097 26.609 1.00 41.22 H new ATOM 0 HE1 MET A 1 -9.826 -4.919 23.808 1.00 21.01 H new ATOM 0 HE2 MET A 1 -8.886 -4.491 25.258 1.00 21.01 H new ATOM 0 HE3 MET A 1 -8.147 -4.353 23.645 1.00 21.01 H new ATOM 20 N VAL A 2 -2.587 -5.106 25.874 1.00 62.51 N ATOM 21 CA VAL A 2 -1.395 -4.435 25.375 1.00 52.23 C ATOM 22 C VAL A 2 -0.843 -5.172 24.158 1.00 2.43 C ATOM 23 O VAL A 2 -0.111 -6.155 24.282 1.00 71.14 O ATOM 24 CB VAL A 2 -0.300 -4.300 26.465 1.00 53.55 C ATOM 25 CG1 VAL A 2 -0.649 -3.182 27.435 1.00 24.33 C ATOM 26 CG2 VAL A 2 -0.111 -5.607 27.226 1.00 63.14 C ATOM 0 H VAL A 2 -2.449 -6.091 26.102 1.00 62.51 H new ATOM 0 HA VAL A 2 -1.688 -3.427 25.083 1.00 52.23 H new ATOM 0 HB VAL A 2 0.637 -4.058 25.963 1.00 53.55 H new ATOM 0 HG11 VAL A 2 0.130 -3.102 28.193 1.00 24.33 H new ATOM 0 HG12 VAL A 2 -0.726 -2.240 26.892 1.00 24.33 H new ATOM 0 HG13 VAL A 2 -1.602 -3.402 27.916 1.00 24.33 H new ATOM 0 HG21 VAL A 2 0.663 -5.479 27.983 1.00 63.14 H new ATOM 0 HG22 VAL A 2 -1.048 -5.886 27.709 1.00 63.14 H new ATOM 0 HG23 VAL A 2 0.187 -6.393 26.532 1.00 63.14 H new ATOM 36 N LYS A 3 -1.225 -4.708 22.977 1.00 54.35 N ATOM 37 CA LYS A 3 -0.858 -5.377 21.740 1.00 3.51 C ATOM 38 C LYS A 3 -1.031 -4.440 20.549 1.00 43.54 C ATOM 39 O LYS A 3 -2.083 -3.814 20.400 1.00 34.12 O ATOM 40 CB LYS A 3 -1.733 -6.625 21.552 1.00 24.51 C ATOM 41 CG LYS A 3 -1.420 -7.446 20.305 1.00 61.23 C ATOM 42 CD LYS A 3 -0.272 -8.427 20.526 1.00 64.35 C ATOM 43 CE LYS A 3 1.076 -7.728 20.623 1.00 13.22 C ATOM 44 NZ LYS A 3 2.178 -8.685 20.892 1.00 11.13 N ATOM 0 H LYS A 3 -1.790 -3.869 22.851 1.00 54.35 H new ATOM 0 HA LYS A 3 0.190 -5.670 21.798 1.00 3.51 H new ATOM 0 HB2 LYS A 3 -1.622 -7.264 22.428 1.00 24.51 H new ATOM 0 HB3 LYS A 3 -2.778 -6.316 21.513 1.00 24.51 H new ATOM 0 HG2 LYS A 3 -2.311 -7.996 20.003 1.00 61.23 H new ATOM 0 HG3 LYS A 3 -1.167 -6.774 19.485 1.00 61.23 H new ATOM 0 HD2 LYS A 3 -0.452 -8.993 21.440 1.00 64.35 H new ATOM 0 HD3 LYS A 3 -0.248 -9.145 19.706 1.00 64.35 H new ATOM 0 HE2 LYS A 3 1.277 -7.196 19.693 1.00 13.22 H new ATOM 0 HE3 LYS A 3 1.042 -6.982 21.417 1.00 13.22 H new ATOM 0 HZ1 LYS A 3 3.079 -8.169 20.951 1.00 11.13 H new ATOM 0 HZ2 LYS A 3 2.000 -9.175 21.792 1.00 11.13 H new ATOM 0 HZ3 LYS A 3 2.228 -9.382 20.122 1.00 11.13 H new ATOM 58 N LEU A 4 0.027 -4.327 19.738 1.00 1.25 N ATOM 59 CA LEU A 4 -0.013 -3.614 18.457 1.00 64.21 C ATOM 60 C LEU A 4 0.014 -2.098 18.655 1.00 41.43 C ATOM 61 O LEU A 4 0.906 -1.412 18.152 1.00 33.01 O ATOM 62 CB LEU A 4 -1.242 -4.040 17.641 1.00 72.25 C ATOM 63 CG LEU A 4 -1.286 -3.542 16.194 1.00 12.52 C ATOM 64 CD1 LEU A 4 -0.045 -3.988 15.439 1.00 25.25 C ATOM 65 CD2 LEU A 4 -2.543 -4.054 15.508 1.00 20.24 C ATOM 0 H LEU A 4 0.939 -4.730 19.953 1.00 1.25 H new ATOM 0 HA LEU A 4 0.883 -3.884 17.898 1.00 64.21 H new ATOM 0 HB2 LEU A 4 -1.289 -5.129 17.632 1.00 72.25 H new ATOM 0 HB3 LEU A 4 -2.136 -3.686 18.154 1.00 72.25 H new ATOM 0 HG LEU A 4 -1.308 -2.452 16.197 1.00 12.52 H new ATOM 0 HD11 LEU A 4 -0.094 -3.625 14.412 1.00 25.25 H new ATOM 0 HD12 LEU A 4 0.842 -3.583 15.926 1.00 25.25 H new ATOM 0 HD13 LEU A 4 0.008 -5.077 15.437 1.00 25.25 H new ATOM 0 HD21 LEU A 4 -2.568 -3.696 14.479 1.00 20.24 H new ATOM 0 HD22 LEU A 4 -2.542 -5.144 15.513 1.00 20.24 H new ATOM 0 HD23 LEU A 4 -3.422 -3.690 16.040 1.00 20.24 H new ATOM 77 N ALA A 5 -0.956 -1.584 19.395 1.00 33.40 N ATOM 78 CA ALA A 5 -1.051 -0.156 19.640 1.00 74.30 C ATOM 79 C ALA A 5 -0.161 0.257 20.805 1.00 4.33 C ATOM 80 O ALA A 5 0.082 -0.524 21.726 1.00 4.33 O ATOM 81 CB ALA A 5 -2.496 0.241 19.910 1.00 22.02 C ATOM 0 H ALA A 5 -1.690 -2.138 19.837 1.00 33.40 H new ATOM 0 HA ALA A 5 -0.706 0.365 18.747 1.00 74.30 H new ATOM 0 HB1 ALA A 5 -2.551 1.314 20.092 1.00 22.02 H new ATOM 0 HB2 ALA A 5 -3.110 -0.012 19.046 1.00 22.02 H new ATOM 0 HB3 ALA A 5 -2.863 -0.294 20.786 1.00 22.02 H new ATOM 87 N PHE A 6 0.339 1.482 20.741 1.00 11.53 N ATOM 88 CA PHE A 6 1.155 2.040 21.808 1.00 74.32 C ATOM 89 C PHE A 6 0.292 2.917 22.713 1.00 35.54 C ATOM 90 O PHE A 6 -0.833 3.259 22.341 1.00 72.43 O ATOM 91 CB PHE A 6 2.315 2.853 21.217 1.00 44.34 C ATOM 92 CG PHE A 6 3.265 2.036 20.386 1.00 23.32 C ATOM 93 CD1 PHE A 6 4.260 1.283 20.988 1.00 73.05 C ATOM 94 CD2 PHE A 6 3.165 2.025 19.003 1.00 21.01 C ATOM 95 CE1 PHE A 6 5.138 0.534 20.226 1.00 72.22 C ATOM 96 CE2 PHE A 6 4.039 1.278 18.238 1.00 61.12 C ATOM 97 CZ PHE A 6 5.026 0.531 18.850 1.00 70.54 C ATOM 0 H PHE A 6 0.192 2.113 19.953 1.00 11.53 H new ATOM 0 HA PHE A 6 1.573 1.227 22.402 1.00 74.32 H new ATOM 0 HB2 PHE A 6 1.908 3.656 20.603 1.00 44.34 H new ATOM 0 HB3 PHE A 6 2.869 3.322 22.030 1.00 44.34 H new ATOM 0 HD1 PHE A 6 4.351 1.281 22.064 1.00 73.05 H new ATOM 0 HD2 PHE A 6 2.395 2.607 18.519 1.00 21.01 H new ATOM 0 HE1 PHE A 6 5.910 -0.048 20.707 1.00 72.22 H new ATOM 0 HE2 PHE A 6 3.951 1.278 17.162 1.00 61.12 H new ATOM 0 HZ PHE A 6 5.709 -0.055 18.253 1.00 70.54 H new ATOM 107 N PRO A 7 0.791 3.278 23.915 1.00 63.22 N ATOM 108 CA PRO A 7 0.060 4.142 24.852 1.00 44.32 C ATOM 109 C PRO A 7 -0.511 5.397 24.189 1.00 74.12 C ATOM 110 O PRO A 7 0.119 6.000 23.312 1.00 44.31 O ATOM 111 CB PRO A 7 1.121 4.520 25.882 1.00 31.51 C ATOM 112 CG PRO A 7 2.066 3.372 25.879 1.00 3.50 C ATOM 113 CD PRO A 7 2.093 2.854 24.467 1.00 72.31 C ATOM 0 HA PRO A 7 -0.808 3.634 25.272 1.00 44.32 H new ATOM 0 HB2 PRO A 7 1.624 5.449 25.612 1.00 31.51 H new ATOM 0 HB3 PRO A 7 0.682 4.670 26.868 1.00 31.51 H new ATOM 0 HG2 PRO A 7 3.060 3.685 26.198 1.00 3.50 H new ATOM 0 HG3 PRO A 7 1.739 2.597 26.572 1.00 3.50 H new ATOM 0 HD2 PRO A 7 2.924 3.275 23.902 1.00 72.31 H new ATOM 0 HD3 PRO A 7 2.206 1.770 24.440 1.00 72.31 H new ATOM 121 N ARG A 8 -1.690 5.806 24.646 1.00 22.43 N ATOM 122 CA ARG A 8 -2.418 6.920 24.044 1.00 5.41 C ATOM 123 C ARG A 8 -1.843 8.257 24.511 1.00 55.51 C ATOM 124 O ARG A 8 -2.403 9.321 24.239 1.00 40.40 O ATOM 125 CB ARG A 8 -3.900 6.837 24.416 1.00 34.35 C ATOM 126 CG ARG A 8 -4.557 5.514 24.047 1.00 30.03 C ATOM 127 CD ARG A 8 -5.989 5.450 24.554 1.00 24.23 C ATOM 128 NE ARG A 8 -6.556 4.108 24.438 1.00 12.23 N ATOM 129 CZ ARG A 8 -6.716 3.275 25.471 1.00 64.43 C ATOM 130 NH1 ARG A 8 -6.375 3.657 26.699 1.00 33.01 N ATOM 131 NH2 ARG A 8 -7.235 2.070 25.271 1.00 22.41 N ATOM 0 H ARG A 8 -2.167 5.378 25.440 1.00 22.43 H new ATOM 0 HA ARG A 8 -2.312 6.855 22.961 1.00 5.41 H new ATOM 0 HB2 ARG A 8 -4.004 6.996 25.489 1.00 34.35 H new ATOM 0 HB3 ARG A 8 -4.435 7.647 23.920 1.00 34.35 H new ATOM 0 HG2 ARG A 8 -4.546 5.389 22.964 1.00 30.03 H new ATOM 0 HG3 ARG A 8 -3.982 4.690 24.469 1.00 30.03 H new ATOM 0 HD2 ARG A 8 -6.018 5.766 25.597 1.00 24.23 H new ATOM 0 HD3 ARG A 8 -6.604 6.152 23.991 1.00 24.23 H new ATOM 0 HE ARG A 8 -6.847 3.788 23.514 1.00 12.23 H new ATOM 0 HH11 ARG A 8 -5.990 4.589 26.855 1.00 33.01 H new ATOM 0 HH12 ARG A 8 -6.499 3.018 27.485 1.00 33.01 H new ATOM 0 HH21 ARG A 8 -7.510 1.783 24.332 1.00 22.41 H new ATOM 0 HH22 ARG A 8 -7.359 1.431 26.057 1.00 22.41 H new ATOM 145 N GLU A 9 -0.730 8.186 25.224 1.00 31.54 N ATOM 146 CA GLU A 9 -0.055 9.375 25.710 1.00 53.23 C ATOM 147 C GLU A 9 1.009 9.827 24.710 1.00 31.11 C ATOM 148 O GLU A 9 1.455 10.974 24.730 1.00 33.23 O ATOM 149 CB GLU A 9 0.558 9.093 27.085 1.00 1.54 C ATOM 150 CG GLU A 9 1.215 10.300 27.722 1.00 63.44 C ATOM 151 CD GLU A 9 1.490 10.097 29.193 1.00 63.13 C ATOM 152 OE1 GLU A 9 2.560 9.558 29.533 1.00 5.42 O ATOM 153 OE2 GLU A 9 0.629 10.468 30.016 1.00 43.23 O ATOM 0 H GLU A 9 -0.274 7.310 25.479 1.00 31.54 H new ATOM 0 HA GLU A 9 -0.777 10.185 25.815 1.00 53.23 H new ATOM 0 HB2 GLU A 9 -0.221 8.722 27.751 1.00 1.54 H new ATOM 0 HB3 GLU A 9 1.298 8.298 26.986 1.00 1.54 H new ATOM 0 HG2 GLU A 9 2.151 10.515 27.207 1.00 63.44 H new ATOM 0 HG3 GLU A 9 0.572 11.171 27.592 1.00 63.44 H new ATOM 160 N LEU A 10 1.397 8.917 23.825 1.00 20.34 N ATOM 161 CA LEU A 10 2.377 9.228 22.793 1.00 12.22 C ATOM 162 C LEU A 10 1.671 9.744 21.548 1.00 13.42 C ATOM 163 O LEU A 10 1.875 10.885 21.127 1.00 52.42 O ATOM 164 CB LEU A 10 3.223 7.994 22.435 1.00 32.00 C ATOM 165 CG LEU A 10 4.265 7.561 23.474 1.00 11.42 C ATOM 166 CD1 LEU A 10 5.154 8.733 23.863 1.00 60.11 C ATOM 167 CD2 LEU A 10 3.601 6.950 24.701 1.00 13.33 C ATOM 0 H LEU A 10 1.048 7.959 23.801 1.00 20.34 H new ATOM 0 HA LEU A 10 3.044 9.997 23.182 1.00 12.22 H new ATOM 0 HB2 LEU A 10 2.549 7.156 22.257 1.00 32.00 H new ATOM 0 HB3 LEU A 10 3.739 8.193 21.496 1.00 32.00 H new ATOM 0 HG LEU A 10 4.891 6.793 23.021 1.00 11.42 H new ATOM 0 HD11 LEU A 10 5.886 8.405 24.601 1.00 60.11 H new ATOM 0 HD12 LEU A 10 5.671 9.106 22.979 1.00 60.11 H new ATOM 0 HD13 LEU A 10 4.542 9.529 24.288 1.00 60.11 H new ATOM 0 HD21 LEU A 10 4.366 6.653 25.419 1.00 13.33 H new ATOM 0 HD22 LEU A 10 2.938 7.684 25.160 1.00 13.33 H new ATOM 0 HD23 LEU A 10 3.023 6.075 24.404 1.00 13.33 H new ATOM 179 N ARG A 11 0.823 8.903 20.973 1.00 12.32 N ATOM 180 CA ARG A 11 0.090 9.266 19.774 1.00 54.32 C ATOM 181 C ARG A 11 -1.241 9.912 20.133 1.00 70.14 C ATOM 182 O ARG A 11 -2.020 9.352 20.905 1.00 65.35 O ATOM 183 CB ARG A 11 -0.163 8.033 18.905 1.00 42.45 C ATOM 184 CG ARG A 11 -0.867 8.358 17.598 1.00 62.44 C ATOM 185 CD ARG A 11 -1.457 7.118 16.953 1.00 23.34 C ATOM 186 NE ARG A 11 -2.111 7.428 15.680 1.00 53.14 N ATOM 187 CZ ARG A 11 -3.424 7.640 15.545 1.00 71.11 C ATOM 188 NH1 ARG A 11 -4.224 7.586 16.606 1.00 71.00 N ATOM 189 NH2 ARG A 11 -3.937 7.914 14.351 1.00 4.45 N ATOM 0 H ARG A 11 0.627 7.964 21.320 1.00 12.32 H new ATOM 0 HA ARG A 11 0.695 9.981 19.216 1.00 54.32 H new ATOM 0 HB2 ARG A 11 0.789 7.548 18.687 1.00 42.45 H new ATOM 0 HB3 ARG A 11 -0.764 7.318 19.466 1.00 42.45 H new ATOM 0 HG2 ARG A 11 -1.659 9.084 17.782 1.00 62.44 H new ATOM 0 HG3 ARG A 11 -0.161 8.824 16.911 1.00 62.44 H new ATOM 0 HD2 ARG A 11 -0.669 6.384 16.788 1.00 23.34 H new ATOM 0 HD3 ARG A 11 -2.179 6.663 17.632 1.00 23.34 H new ATOM 0 HE ARG A 11 -1.529 7.486 14.845 1.00 53.14 H new ATOM 0 HH11 ARG A 11 -3.836 7.382 17.527 1.00 71.00 H new ATOM 0 HH12 ARG A 11 -5.225 7.748 16.499 1.00 71.00 H new ATOM 0 HH21 ARG A 11 -3.329 7.963 13.534 1.00 4.45 H new ATOM 0 HH22 ARG A 11 -4.939 8.075 14.251 1.00 4.45 H new ATOM 203 N LEU A 12 -1.494 11.086 19.569 1.00 70.32 N ATOM 204 CA LEU A 12 -2.773 11.759 19.746 1.00 13.40 C ATOM 205 C LEU A 12 -3.895 10.923 19.141 1.00 52.35 C ATOM 206 O LEU A 12 -3.725 10.303 18.083 1.00 31.13 O ATOM 207 CB LEU A 12 -2.744 13.143 19.094 1.00 54.13 C ATOM 208 CG LEU A 12 -1.672 14.092 19.628 1.00 51.15 C ATOM 209 CD1 LEU A 12 -1.714 15.415 18.880 1.00 63.11 C ATOM 210 CD2 LEU A 12 -1.853 14.315 21.124 1.00 44.40 C ATOM 0 H LEU A 12 -0.829 11.592 18.984 1.00 70.32 H new ATOM 0 HA LEU A 12 -2.955 11.879 20.814 1.00 13.40 H new ATOM 0 HB2 LEU A 12 -2.595 13.019 18.021 1.00 54.13 H new ATOM 0 HB3 LEU A 12 -3.720 13.610 19.228 1.00 54.13 H new ATOM 0 HG LEU A 12 -0.695 13.636 19.466 1.00 51.15 H new ATOM 0 HD11 LEU A 12 -0.944 16.079 19.273 1.00 63.11 H new ATOM 0 HD12 LEU A 12 -1.535 15.239 17.819 1.00 63.11 H new ATOM 0 HD13 LEU A 12 -2.693 15.876 19.011 1.00 63.11 H new ATOM 0 HD21 LEU A 12 -1.081 14.993 21.487 1.00 44.40 H new ATOM 0 HD22 LEU A 12 -2.835 14.750 21.311 1.00 44.40 H new ATOM 0 HD23 LEU A 12 -1.773 13.362 21.646 1.00 44.40 H new ATOM 222 N LEU A 13 -5.032 10.895 19.813 1.00 3.52 N ATOM 223 CA LEU A 13 -6.167 10.118 19.349 1.00 1.12 C ATOM 224 C LEU A 13 -6.887 10.865 18.237 1.00 22.15 C ATOM 225 O LEU A 13 -7.815 11.634 18.480 1.00 45.22 O ATOM 226 CB LEU A 13 -7.138 9.795 20.496 1.00 24.43 C ATOM 227 CG LEU A 13 -6.630 8.796 21.545 1.00 71.41 C ATOM 228 CD1 LEU A 13 -5.561 9.421 22.426 1.00 12.42 C ATOM 229 CD2 LEU A 13 -7.782 8.286 22.394 1.00 63.42 C ATOM 0 H LEU A 13 -5.194 11.402 20.683 1.00 3.52 H new ATOM 0 HA LEU A 13 -5.792 9.171 18.961 1.00 1.12 H new ATOM 0 HB2 LEU A 13 -7.393 10.726 21.003 1.00 24.43 H new ATOM 0 HB3 LEU A 13 -8.060 9.403 20.066 1.00 24.43 H new ATOM 0 HG LEU A 13 -6.183 7.954 21.017 1.00 71.41 H new ATOM 0 HD11 LEU A 13 -5.220 8.690 23.159 1.00 12.42 H new ATOM 0 HD12 LEU A 13 -4.719 9.735 21.809 1.00 12.42 H new ATOM 0 HD13 LEU A 13 -5.976 10.287 22.943 1.00 12.42 H new ATOM 0 HD21 LEU A 13 -7.404 7.579 23.133 1.00 63.42 H new ATOM 0 HD22 LEU A 13 -8.257 9.124 22.904 1.00 63.42 H new ATOM 0 HD23 LEU A 13 -8.512 7.789 21.756 1.00 63.42 H new ATOM 241 N THR A 14 -6.415 10.664 17.019 1.00 13.03 N ATOM 242 CA THR A 14 -6.996 11.301 15.854 1.00 21.31 C ATOM 243 C THR A 14 -7.181 10.277 14.730 1.00 34.23 C ATOM 244 O THR A 14 -6.363 9.356 14.579 1.00 5.45 O ATOM 245 CB THR A 14 -6.107 12.477 15.374 1.00 3.52 C ATOM 246 OG1 THR A 14 -6.689 13.127 14.238 1.00 44.21 O ATOM 247 CG2 THR A 14 -4.702 12.002 15.024 1.00 71.31 C ATOM 0 H THR A 14 -5.622 10.057 16.812 1.00 13.03 H new ATOM 0 HA THR A 14 -7.972 11.701 16.128 1.00 21.31 H new ATOM 0 HB THR A 14 -6.040 13.188 16.197 1.00 3.52 H new ATOM 0 HG1 THR A 14 -6.112 13.867 13.953 1.00 44.21 H new ATOM 0 HG21 THR A 14 -4.104 12.850 14.691 1.00 71.31 H new ATOM 0 HG22 THR A 14 -4.239 11.555 15.904 1.00 71.31 H new ATOM 0 HG23 THR A 14 -4.757 11.261 14.226 1.00 71.31 H new ATOM 255 N PRO A 15 -8.275 10.388 13.958 1.00 64.33 N ATOM 256 CA PRO A 15 -8.534 9.501 12.824 1.00 63.33 C ATOM 257 C PRO A 15 -7.631 9.811 11.632 1.00 12.30 C ATOM 258 O PRO A 15 -7.973 10.603 10.754 1.00 3.43 O ATOM 259 CB PRO A 15 -10.001 9.769 12.485 1.00 20.30 C ATOM 260 CG PRO A 15 -10.253 11.159 12.954 1.00 33.43 C ATOM 261 CD PRO A 15 -9.355 11.375 14.146 1.00 70.01 C ATOM 0 HA PRO A 15 -8.332 8.457 13.065 1.00 63.33 H new ATOM 0 HB2 PRO A 15 -10.183 9.674 11.415 1.00 20.30 H new ATOM 0 HB3 PRO A 15 -10.659 9.058 12.985 1.00 20.30 H new ATOM 0 HG2 PRO A 15 -10.034 11.880 12.167 1.00 33.43 H new ATOM 0 HG3 PRO A 15 -11.300 11.293 13.227 1.00 33.43 H new ATOM 0 HD2 PRO A 15 -8.966 12.393 14.174 1.00 70.01 H new ATOM 0 HD3 PRO A 15 -9.888 11.211 15.083 1.00 70.01 H new ATOM 269 N SER A 16 -6.455 9.210 11.635 1.00 5.54 N ATOM 270 CA SER A 16 -5.498 9.382 10.555 1.00 64.22 C ATOM 271 C SER A 16 -4.690 8.102 10.367 1.00 72.43 C ATOM 272 O SER A 16 -4.029 7.636 11.302 1.00 33.21 O ATOM 273 CB SER A 16 -4.565 10.556 10.855 1.00 51.44 C ATOM 274 OG SER A 16 -5.298 11.761 11.004 1.00 5.23 O ATOM 0 H SER A 16 -6.137 8.592 12.381 1.00 5.54 H new ATOM 0 HA SER A 16 -6.041 9.596 9.634 1.00 64.22 H new ATOM 0 HB2 SER A 16 -4.001 10.354 11.766 1.00 51.44 H new ATOM 0 HB3 SER A 16 -3.840 10.664 10.049 1.00 51.44 H new ATOM 0 HG SER A 16 -4.681 12.498 11.197 1.00 5.23 H new ATOM 280 N GLN A 17 -4.756 7.546 9.162 1.00 33.02 N ATOM 281 CA GLN A 17 -4.061 6.305 8.831 1.00 14.12 C ATOM 282 C GLN A 17 -2.552 6.498 8.867 1.00 3.03 C ATOM 283 O GLN A 17 -1.828 5.709 9.478 1.00 41.32 O ATOM 284 CB GLN A 17 -4.479 5.817 7.440 1.00 23.03 C ATOM 285 CG GLN A 17 -5.816 5.100 7.408 1.00 10.13 C ATOM 286 CD GLN A 17 -6.299 4.849 5.994 1.00 64.11 C ATOM 287 OE1 GLN A 17 -6.062 5.652 5.090 1.00 3.40 O ATOM 288 NE2 GLN A 17 -6.948 3.716 5.785 1.00 3.20 N ATOM 0 H GLN A 17 -5.291 7.941 8.388 1.00 33.02 H new ATOM 0 HA GLN A 17 -4.336 5.559 9.576 1.00 14.12 H new ATOM 0 HB2 GLN A 17 -4.522 6.672 6.765 1.00 23.03 H new ATOM 0 HB3 GLN A 17 -3.710 5.146 7.056 1.00 23.03 H new ATOM 0 HG2 GLN A 17 -5.729 4.149 7.934 1.00 10.13 H new ATOM 0 HG3 GLN A 17 -6.557 5.694 7.943 1.00 10.13 H new ATOM 0 HE21 GLN A 17 -7.124 3.078 6.561 1.00 3.20 H new ATOM 0 HE22 GLN A 17 -7.273 3.480 4.847 1.00 3.20 H new ATOM 297 N PHE A 18 -2.091 7.567 8.224 1.00 4.54 N ATOM 298 CA PHE A 18 -0.665 7.841 8.101 1.00 52.55 C ATOM 299 C PHE A 18 -0.001 7.891 9.474 1.00 33.40 C ATOM 300 O PHE A 18 1.052 7.298 9.686 1.00 12.00 O ATOM 301 CB PHE A 18 -0.443 9.159 7.356 1.00 24.52 C ATOM 302 CG PHE A 18 0.985 9.397 6.952 1.00 24.00 C ATOM 303 CD1 PHE A 18 1.485 8.847 5.784 1.00 25.21 C ATOM 304 CD2 PHE A 18 1.826 10.170 7.740 1.00 12.21 C ATOM 305 CE1 PHE A 18 2.796 9.061 5.406 1.00 61.01 C ATOM 306 CE2 PHE A 18 3.138 10.388 7.365 1.00 64.14 C ATOM 307 CZ PHE A 18 3.623 9.833 6.197 1.00 33.03 C ATOM 0 H PHE A 18 -2.690 8.261 7.778 1.00 4.54 H new ATOM 0 HA PHE A 18 -0.208 7.032 7.531 1.00 52.55 H new ATOM 0 HB2 PHE A 18 -1.069 9.171 6.464 1.00 24.52 H new ATOM 0 HB3 PHE A 18 -0.773 9.983 7.989 1.00 24.52 H new ATOM 0 HD1 PHE A 18 0.842 8.243 5.161 1.00 25.21 H new ATOM 0 HD2 PHE A 18 1.452 10.605 8.655 1.00 12.21 H new ATOM 0 HE1 PHE A 18 3.174 8.625 4.493 1.00 61.01 H new ATOM 0 HE2 PHE A 18 3.784 10.992 7.985 1.00 64.14 H new ATOM 0 HZ PHE A 18 4.648 10.003 5.903 1.00 33.03 H new ATOM 317 N THR A 19 -0.652 8.557 10.414 1.00 72.40 N ATOM 318 CA THR A 19 -0.104 8.738 11.752 1.00 25.23 C ATOM 319 C THR A 19 -0.221 7.457 12.594 1.00 73.22 C ATOM 320 O THR A 19 -0.031 7.480 13.810 1.00 50.53 O ATOM 321 CB THR A 19 -0.832 9.894 12.465 1.00 62.43 C ATOM 322 OG1 THR A 19 -1.268 10.853 11.492 1.00 13.15 O ATOM 323 CG2 THR A 19 0.082 10.581 13.476 1.00 65.11 C ATOM 0 H THR A 19 -1.567 8.985 10.275 1.00 72.40 H new ATOM 0 HA THR A 19 0.955 8.975 11.647 1.00 25.23 H new ATOM 0 HB THR A 19 -1.688 9.483 12.999 1.00 62.43 H new ATOM 0 HG1 THR A 19 -1.733 11.588 11.943 1.00 13.15 H new ATOM 0 HG21 THR A 19 -0.459 11.392 13.963 1.00 65.11 H new ATOM 0 HG22 THR A 19 0.404 9.858 14.226 1.00 65.11 H new ATOM 0 HG23 THR A 19 0.955 10.984 12.962 1.00 65.11 H new ATOM 331 N PHE A 20 -0.535 6.340 11.951 1.00 50.41 N ATOM 332 CA PHE A 20 -0.653 5.073 12.656 1.00 54.41 C ATOM 333 C PHE A 20 0.146 3.977 11.954 1.00 34.44 C ATOM 334 O PHE A 20 0.901 3.240 12.592 1.00 63.41 O ATOM 335 CB PHE A 20 -2.123 4.664 12.780 1.00 52.13 C ATOM 336 CG PHE A 20 -2.347 3.503 13.711 1.00 30.24 C ATOM 337 CD1 PHE A 20 -2.413 3.705 15.082 1.00 3.01 C ATOM 338 CD2 PHE A 20 -2.483 2.212 13.224 1.00 23.50 C ATOM 339 CE1 PHE A 20 -2.611 2.646 15.946 1.00 34.45 C ATOM 340 CE2 PHE A 20 -2.682 1.147 14.084 1.00 4.11 C ATOM 341 CZ PHE A 20 -2.746 1.365 15.447 1.00 22.52 C ATOM 0 H PHE A 20 -0.712 6.286 10.948 1.00 50.41 H new ATOM 0 HA PHE A 20 -0.241 5.205 13.656 1.00 54.41 H new ATOM 0 HB2 PHE A 20 -2.701 5.518 13.132 1.00 52.13 H new ATOM 0 HB3 PHE A 20 -2.505 4.406 11.792 1.00 52.13 H new ATOM 0 HD1 PHE A 20 -2.308 4.704 15.479 1.00 3.01 H new ATOM 0 HD2 PHE A 20 -2.433 2.036 12.160 1.00 23.50 H new ATOM 0 HE1 PHE A 20 -2.660 2.819 17.011 1.00 34.45 H new ATOM 0 HE2 PHE A 20 -2.787 0.147 13.691 1.00 4.11 H new ATOM 0 HZ PHE A 20 -2.901 0.535 16.121 1.00 22.52 H new ATOM 351 N VAL A 21 -0.013 3.872 10.642 1.00 61.20 N ATOM 352 CA VAL A 21 0.656 2.820 9.884 1.00 5.32 C ATOM 353 C VAL A 21 2.115 3.172 9.600 1.00 74.21 C ATOM 354 O VAL A 21 2.945 2.288 9.393 1.00 3.14 O ATOM 355 CB VAL A 21 -0.064 2.515 8.551 1.00 1.43 C ATOM 356 CG1 VAL A 21 -1.472 1.999 8.811 1.00 11.01 C ATOM 357 CG2 VAL A 21 -0.100 3.742 7.654 1.00 43.20 C ATOM 0 H VAL A 21 -0.594 4.496 10.083 1.00 61.20 H new ATOM 0 HA VAL A 21 0.620 1.928 10.510 1.00 5.32 H new ATOM 0 HB VAL A 21 0.500 1.739 8.034 1.00 1.43 H new ATOM 0 HG11 VAL A 21 -1.964 1.790 7.861 1.00 11.01 H new ATOM 0 HG12 VAL A 21 -1.421 1.085 9.403 1.00 11.01 H new ATOM 0 HG13 VAL A 21 -2.041 2.753 9.356 1.00 11.01 H new ATOM 0 HG21 VAL A 21 -0.612 3.498 6.724 1.00 43.20 H new ATOM 0 HG22 VAL A 21 -0.632 4.547 8.160 1.00 43.20 H new ATOM 0 HG23 VAL A 21 0.919 4.062 7.434 1.00 43.20 H new ATOM 367 N PHE A 22 2.431 4.463 9.620 1.00 33.01 N ATOM 368 CA PHE A 22 3.782 4.924 9.314 1.00 72.14 C ATOM 369 C PHE A 22 4.704 4.734 10.521 1.00 73.42 C ATOM 370 O PHE A 22 5.914 4.931 10.428 1.00 33.13 O ATOM 371 CB PHE A 22 3.749 6.393 8.880 1.00 55.33 C ATOM 372 CG PHE A 22 5.016 6.880 8.235 1.00 23.34 C ATOM 373 CD1 PHE A 22 5.331 6.512 6.937 1.00 22.24 C ATOM 374 CD2 PHE A 22 5.886 7.714 8.920 1.00 52.43 C ATOM 375 CE1 PHE A 22 6.490 6.964 6.334 1.00 51.22 C ATOM 376 CE2 PHE A 22 7.047 8.168 8.323 1.00 2.12 C ATOM 377 CZ PHE A 22 7.349 7.793 7.028 1.00 73.12 C ATOM 0 H PHE A 22 1.771 5.208 9.844 1.00 33.01 H new ATOM 0 HA PHE A 22 4.178 4.327 8.492 1.00 72.14 H new ATOM 0 HB2 PHE A 22 2.923 6.534 8.183 1.00 55.33 H new ATOM 0 HB3 PHE A 22 3.539 7.012 9.752 1.00 55.33 H new ATOM 0 HD1 PHE A 22 4.663 5.864 6.389 1.00 22.24 H new ATOM 0 HD2 PHE A 22 5.654 8.012 9.932 1.00 52.43 H new ATOM 0 HE1 PHE A 22 6.723 6.669 5.322 1.00 51.22 H new ATOM 0 HE2 PHE A 22 7.718 8.815 8.868 1.00 2.12 H new ATOM 0 HZ PHE A 22 8.255 8.148 6.559 1.00 73.12 H new ATOM 387 N GLN A 23 4.117 4.347 11.652 1.00 31.41 N ATOM 388 CA GLN A 23 4.890 4.026 12.849 1.00 11.05 C ATOM 389 C GLN A 23 5.832 2.864 12.562 1.00 13.14 C ATOM 390 O GLN A 23 7.002 2.888 12.939 1.00 52.11 O ATOM 391 CB GLN A 23 3.958 3.664 14.004 1.00 53.22 C ATOM 392 CG GLN A 23 3.136 4.832 14.518 1.00 54.44 C ATOM 393 CD GLN A 23 2.039 4.391 15.469 1.00 54.12 C ATOM 394 OE1 GLN A 23 2.160 3.373 16.150 1.00 44.43 O ATOM 395 NE2 GLN A 23 0.960 5.154 15.530 1.00 14.33 N ATOM 0 H GLN A 23 3.108 4.248 11.764 1.00 31.41 H new ATOM 0 HA GLN A 23 5.475 4.901 13.132 1.00 11.05 H new ATOM 0 HB2 GLN A 23 3.283 2.872 13.679 1.00 53.22 H new ATOM 0 HB3 GLN A 23 4.551 3.261 14.825 1.00 53.22 H new ATOM 0 HG2 GLN A 23 3.792 5.539 15.026 1.00 54.44 H new ATOM 0 HG3 GLN A 23 2.692 5.360 13.674 1.00 54.44 H new ATOM 0 HE21 GLN A 23 0.894 5.991 14.951 1.00 14.33 H new ATOM 0 HE22 GLN A 23 0.194 4.905 16.156 1.00 14.33 H new ATOM 404 N GLN A 24 5.298 1.851 11.891 1.00 12.44 N ATOM 405 CA GLN A 24 6.079 0.705 11.452 1.00 15.34 C ATOM 406 C GLN A 24 5.602 0.264 10.074 1.00 43.33 C ATOM 407 O GLN A 24 4.786 -0.651 9.953 1.00 34.22 O ATOM 408 CB GLN A 24 5.971 -0.458 12.445 1.00 71.25 C ATOM 409 CG GLN A 24 6.719 -0.231 13.751 1.00 23.43 C ATOM 410 CD GLN A 24 6.591 -1.401 14.705 1.00 41.21 C ATOM 411 OE1 GLN A 24 6.417 -2.545 14.285 1.00 73.34 O ATOM 412 NE2 GLN A 24 6.684 -1.127 15.997 1.00 64.32 N ATOM 0 H GLN A 24 4.311 1.802 11.637 1.00 12.44 H new ATOM 0 HA GLN A 24 7.127 1.001 11.401 1.00 15.34 H new ATOM 0 HB2 GLN A 24 4.919 -0.635 12.667 1.00 71.25 H new ATOM 0 HB3 GLN A 24 6.354 -1.362 11.972 1.00 71.25 H new ATOM 0 HG2 GLN A 24 7.773 -0.055 13.536 1.00 23.43 H new ATOM 0 HG3 GLN A 24 6.338 0.669 14.232 1.00 23.43 H new ATOM 0 HE21 GLN A 24 6.828 -0.165 16.305 1.00 64.32 H new ATOM 0 HE22 GLN A 24 6.611 -1.877 16.684 1.00 64.32 H new ATOM 421 N PRO A 25 6.072 0.940 9.021 1.00 15.44 N ATOM 422 CA PRO A 25 5.674 0.643 7.661 1.00 23.42 C ATOM 423 C PRO A 25 6.564 -0.412 7.011 1.00 65.22 C ATOM 424 O PRO A 25 7.740 -0.163 6.725 1.00 64.23 O ATOM 425 CB PRO A 25 5.830 1.991 6.959 1.00 53.33 C ATOM 426 CG PRO A 25 6.852 2.754 7.749 1.00 53.33 C ATOM 427 CD PRO A 25 7.033 2.050 9.074 1.00 23.43 C ATOM 0 HA PRO A 25 4.668 0.228 7.605 1.00 23.42 H new ATOM 0 HB2 PRO A 25 6.155 1.858 5.927 1.00 53.33 H new ATOM 0 HB3 PRO A 25 4.881 2.527 6.928 1.00 53.33 H new ATOM 0 HG2 PRO A 25 7.797 2.799 7.208 1.00 53.33 H new ATOM 0 HG3 PRO A 25 6.525 3.782 7.904 1.00 53.33 H new ATOM 0 HD2 PRO A 25 8.054 1.689 9.198 1.00 23.43 H new ATOM 0 HD3 PRO A 25 6.827 2.717 9.912 1.00 23.43 H new ATOM 435 N GLN A 26 6.005 -1.590 6.784 1.00 1.15 N ATOM 436 CA GLN A 26 6.756 -2.674 6.174 1.00 11.53 C ATOM 437 C GLN A 26 6.891 -2.436 4.675 1.00 60.32 C ATOM 438 O GLN A 26 5.959 -1.961 4.025 1.00 55.45 O ATOM 439 CB GLN A 26 6.078 -4.020 6.439 1.00 62.51 C ATOM 440 CG GLN A 26 5.877 -4.328 7.918 1.00 74.34 C ATOM 441 CD GLN A 26 7.159 -4.242 8.726 1.00 73.43 C ATOM 442 OE1 GLN A 26 7.493 -3.195 9.280 1.00 55.33 O ATOM 443 NE2 GLN A 26 7.894 -5.340 8.790 1.00 62.04 N ATOM 0 H GLN A 26 5.038 -1.819 7.012 1.00 1.15 H new ATOM 0 HA GLN A 26 7.750 -2.700 6.620 1.00 11.53 H new ATOM 0 HB2 GLN A 26 5.109 -4.032 5.940 1.00 62.51 H new ATOM 0 HB3 GLN A 26 6.677 -4.812 5.991 1.00 62.51 H new ATOM 0 HG2 GLN A 26 5.147 -3.632 8.332 1.00 74.34 H new ATOM 0 HG3 GLN A 26 5.457 -5.329 8.020 1.00 74.34 H new ATOM 0 HE21 GLN A 26 7.584 -6.189 8.318 1.00 62.04 H new ATOM 0 HE22 GLN A 26 8.770 -5.337 9.312 1.00 62.04 H new ATOM 452 N ARG A 27 8.058 -2.753 4.136 1.00 20.14 N ATOM 453 CA ARG A 27 8.329 -2.550 2.721 1.00 65.42 C ATOM 454 C ARG A 27 7.718 -3.662 1.878 1.00 32.42 C ATOM 455 O ARG A 27 8.291 -4.741 1.744 1.00 12.02 O ATOM 456 CB ARG A 27 9.838 -2.461 2.472 1.00 65.01 C ATOM 457 CG ARG A 27 10.337 -1.040 2.271 1.00 33.42 C ATOM 458 CD ARG A 27 9.824 -0.463 0.962 1.00 10.25 C ATOM 459 NE ARG A 27 10.269 -1.259 -0.185 1.00 53.30 N ATOM 460 CZ ARG A 27 9.470 -1.696 -1.157 1.00 64.13 C ATOM 461 NH1 ARG A 27 8.178 -1.379 -1.163 1.00 31.24 N ATOM 462 NH2 ARG A 27 9.967 -2.453 -2.129 1.00 54.24 N ATOM 0 H ARG A 27 8.836 -3.154 4.660 1.00 20.14 H new ATOM 0 HA ARG A 27 7.868 -1.608 2.423 1.00 65.42 H new ATOM 0 HB2 ARG A 27 10.364 -2.906 3.316 1.00 65.01 H new ATOM 0 HB3 ARG A 27 10.088 -3.053 1.592 1.00 65.01 H new ATOM 0 HG2 ARG A 27 10.009 -0.415 3.101 1.00 33.42 H new ATOM 0 HG3 ARG A 27 11.427 -1.029 2.275 1.00 33.42 H new ATOM 0 HD2 ARG A 27 8.735 -0.427 0.981 1.00 10.25 H new ATOM 0 HD3 ARG A 27 10.175 0.563 0.853 1.00 10.25 H new ATOM 0 HE ARG A 27 11.260 -1.495 -0.243 1.00 53.30 H new ATOM 0 HH11 ARG A 27 7.792 -0.797 -0.419 1.00 31.24 H new ATOM 0 HH12 ARG A 27 7.573 -1.718 -1.911 1.00 31.24 H new ATOM 0 HH21 ARG A 27 10.957 -2.698 -2.129 1.00 54.24 H new ATOM 0 HH22 ARG A 27 9.358 -2.790 -2.875 1.00 54.24 H new ATOM 476 N ALA A 28 6.545 -3.391 1.327 1.00 31.13 N ATOM 477 CA ALA A 28 5.872 -4.335 0.454 1.00 71.52 C ATOM 478 C ALA A 28 5.618 -3.713 -0.914 1.00 45.21 C ATOM 479 O ALA A 28 5.389 -2.506 -1.024 1.00 52.10 O ATOM 480 CB ALA A 28 4.565 -4.797 1.082 1.00 74.51 C ATOM 0 H ALA A 28 6.038 -2.518 1.472 1.00 31.13 H new ATOM 0 HA ALA A 28 6.518 -5.203 0.320 1.00 71.52 H new ATOM 0 HB1 ALA A 28 4.071 -5.505 0.416 1.00 74.51 H new ATOM 0 HB2 ALA A 28 4.771 -5.281 2.037 1.00 74.51 H new ATOM 0 HB3 ALA A 28 3.915 -3.937 1.244 1.00 74.51 H new ATOM 486 N GLY A 29 5.695 -4.535 -1.950 1.00 35.42 N ATOM 487 CA GLY A 29 5.416 -4.069 -3.293 1.00 73.35 C ATOM 488 C GLY A 29 6.651 -3.551 -4.000 1.00 70.44 C ATOM 489 O GLY A 29 7.704 -3.382 -3.383 1.00 71.22 O ATOM 0 H GLY A 29 5.947 -5.521 -1.884 1.00 35.42 H new ATOM 0 HA2 GLY A 29 4.985 -4.884 -3.874 1.00 73.35 H new ATOM 0 HA3 GLY A 29 4.668 -3.278 -3.250 1.00 73.35 H new ATOM 493 N THR A 30 6.516 -3.307 -5.294 1.00 74.11 N ATOM 494 CA THR A 30 7.599 -2.772 -6.107 1.00 32.42 C ATOM 495 C THR A 30 8.038 -1.401 -5.575 1.00 72.54 C ATOM 496 O THR A 30 7.205 -0.618 -5.138 1.00 71.11 O ATOM 497 CB THR A 30 7.124 -2.634 -7.567 1.00 10.41 C ATOM 498 OG1 THR A 30 6.024 -3.528 -7.798 1.00 20.34 O ATOM 499 CG2 THR A 30 8.246 -2.961 -8.543 1.00 32.01 C ATOM 0 H THR A 30 5.653 -3.474 -5.811 1.00 74.11 H new ATOM 0 HA THR A 30 8.448 -3.454 -6.060 1.00 32.42 H new ATOM 0 HB THR A 30 6.813 -1.602 -7.729 1.00 10.41 H new ATOM 0 HG1 THR A 30 5.720 -3.440 -8.725 1.00 20.34 H new ATOM 0 HG21 THR A 30 7.882 -2.855 -9.565 1.00 32.01 H new ATOM 0 HG22 THR A 30 9.079 -2.277 -8.382 1.00 32.01 H new ATOM 0 HG23 THR A 30 8.581 -3.985 -8.382 1.00 32.01 H new ATOM 507 N PRO A 31 9.349 -1.099 -5.589 1.00 32.20 N ATOM 508 CA PRO A 31 9.879 0.184 -5.088 1.00 53.41 C ATOM 509 C PRO A 31 9.219 1.399 -5.749 1.00 22.32 C ATOM 510 O PRO A 31 9.066 2.450 -5.125 1.00 2.33 O ATOM 511 CB PRO A 31 11.365 0.122 -5.449 1.00 33.44 C ATOM 512 CG PRO A 31 11.669 -1.334 -5.550 1.00 2.30 C ATOM 513 CD PRO A 31 10.421 -1.979 -6.079 1.00 54.24 C ATOM 0 HA PRO A 31 9.687 0.308 -4.022 1.00 53.41 H new ATOM 0 HB2 PRO A 31 11.566 0.635 -6.390 1.00 33.44 H new ATOM 0 HB3 PRO A 31 11.978 0.603 -4.687 1.00 33.44 H new ATOM 0 HG2 PRO A 31 12.513 -1.511 -6.216 1.00 2.30 H new ATOM 0 HG3 PRO A 31 11.939 -1.745 -4.577 1.00 2.30 H new ATOM 0 HD2 PRO A 31 10.428 -2.036 -7.167 1.00 54.24 H new ATOM 0 HD3 PRO A 31 10.306 -2.997 -5.707 1.00 54.24 H new ATOM 521 N GLN A 32 8.824 1.236 -7.008 1.00 45.53 N ATOM 522 CA GLN A 32 8.175 2.303 -7.770 1.00 65.13 C ATOM 523 C GLN A 32 6.799 2.638 -7.198 1.00 13.11 C ATOM 524 O GLN A 32 6.257 3.714 -7.438 1.00 4.50 O ATOM 525 CB GLN A 32 8.034 1.904 -9.244 1.00 72.14 C ATOM 526 CG GLN A 32 9.349 1.886 -10.012 1.00 3.35 C ATOM 527 CD GLN A 32 10.313 0.818 -9.525 1.00 52.45 C ATOM 528 OE1 GLN A 32 9.904 -0.257 -9.083 1.00 54.32 O ATOM 529 NE2 GLN A 32 11.597 1.119 -9.574 1.00 34.20 N ATOM 0 H GLN A 32 8.943 0.367 -7.528 1.00 45.53 H new ATOM 0 HA GLN A 32 8.806 3.188 -7.694 1.00 65.13 H new ATOM 0 HB2 GLN A 32 7.580 0.915 -9.300 1.00 72.14 H new ATOM 0 HB3 GLN A 32 7.350 2.597 -9.733 1.00 72.14 H new ATOM 0 HG2 GLN A 32 9.142 1.724 -11.070 1.00 3.35 H new ATOM 0 HG3 GLN A 32 9.826 2.863 -9.926 1.00 3.35 H new ATOM 0 HE21 GLN A 32 11.896 2.020 -9.947 1.00 34.20 H new ATOM 0 HE22 GLN A 32 12.291 0.451 -9.239 1.00 34.20 H new ATOM 538 N ILE A 33 6.242 1.710 -6.442 1.00 1.45 N ATOM 539 CA ILE A 33 4.943 1.897 -5.824 1.00 63.35 C ATOM 540 C ILE A 33 4.961 1.307 -4.413 1.00 43.14 C ATOM 541 O ILE A 33 4.753 0.112 -4.203 1.00 74.42 O ATOM 542 CB ILE A 33 3.820 1.274 -6.691 1.00 52.32 C ATOM 543 CG1 ILE A 33 2.468 1.368 -5.979 1.00 21.35 C ATOM 544 CG2 ILE A 33 4.147 -0.168 -7.066 1.00 22.51 C ATOM 545 CD1 ILE A 33 1.315 0.822 -6.794 1.00 10.10 C ATOM 0 H ILE A 33 6.675 0.809 -6.240 1.00 1.45 H new ATOM 0 HA ILE A 33 4.731 2.964 -5.751 1.00 63.35 H new ATOM 0 HB ILE A 33 3.753 1.846 -7.616 1.00 52.32 H new ATOM 0 HG12 ILE A 33 2.525 0.825 -5.036 1.00 21.35 H new ATOM 0 HG13 ILE A 33 2.267 2.411 -5.734 1.00 21.35 H new ATOM 0 HG21 ILE A 33 3.340 -0.578 -7.674 1.00 22.51 H new ATOM 0 HG22 ILE A 33 5.078 -0.194 -7.632 1.00 22.51 H new ATOM 0 HG23 ILE A 33 4.257 -0.764 -6.160 1.00 22.51 H new ATOM 0 HD11 ILE A 33 0.389 0.921 -6.227 1.00 10.10 H new ATOM 0 HD12 ILE A 33 1.231 1.381 -7.726 1.00 10.10 H new ATOM 0 HD13 ILE A 33 1.493 -0.230 -7.017 1.00 10.10 H new ATOM 557 N THR A 34 5.259 2.155 -3.445 1.00 12.20 N ATOM 558 CA THR A 34 5.495 1.702 -2.090 1.00 73.23 C ATOM 559 C THR A 34 4.194 1.595 -1.299 1.00 41.30 C ATOM 560 O THR A 34 3.637 2.602 -0.859 1.00 73.34 O ATOM 561 CB THR A 34 6.465 2.648 -1.357 1.00 64.21 C ATOM 562 OG1 THR A 34 7.606 2.917 -2.186 1.00 44.55 O ATOM 563 CG2 THR A 34 6.932 2.036 -0.045 1.00 11.55 C ATOM 0 H THR A 34 5.343 3.163 -3.575 1.00 12.20 H new ATOM 0 HA THR A 34 5.942 0.710 -2.158 1.00 73.23 H new ATOM 0 HB THR A 34 5.936 3.577 -1.143 1.00 64.21 H new ATOM 0 HG1 THR A 34 8.218 3.520 -1.715 1.00 44.55 H new ATOM 0 HG21 THR A 34 7.616 2.723 0.454 1.00 11.55 H new ATOM 0 HG22 THR A 34 6.071 1.851 0.597 1.00 11.55 H new ATOM 0 HG23 THR A 34 7.444 1.095 -0.245 1.00 11.55 H new ATOM 571 N ILE A 35 3.701 0.375 -1.140 1.00 5.03 N ATOM 572 CA ILE A 35 2.539 0.136 -0.303 1.00 60.21 C ATOM 573 C ILE A 35 2.967 0.108 1.161 1.00 35.32 C ATOM 574 O ILE A 35 3.540 -0.876 1.630 1.00 12.22 O ATOM 575 CB ILE A 35 1.803 -1.191 -0.646 1.00 25.21 C ATOM 576 CG1 ILE A 35 1.261 -1.179 -2.082 1.00 71.20 C ATOM 577 CG2 ILE A 35 0.664 -1.440 0.332 1.00 75.43 C ATOM 578 CD1 ILE A 35 2.290 -1.526 -3.136 1.00 71.22 C ATOM 0 H ILE A 35 4.088 -0.461 -1.579 1.00 5.03 H new ATOM 0 HA ILE A 35 1.839 0.950 -0.490 1.00 60.21 H new ATOM 0 HB ILE A 35 2.531 -1.998 -0.562 1.00 25.21 H new ATOM 0 HG12 ILE A 35 0.433 -1.885 -2.152 1.00 71.20 H new ATOM 0 HG13 ILE A 35 0.856 -0.190 -2.297 1.00 71.20 H new ATOM 0 HG21 ILE A 35 0.162 -2.373 0.075 1.00 75.43 H new ATOM 0 HG22 ILE A 35 1.062 -1.509 1.344 1.00 75.43 H new ATOM 0 HG23 ILE A 35 -0.049 -0.617 0.278 1.00 75.43 H new ATOM 0 HD11 ILE A 35 1.826 -1.495 -4.122 1.00 71.22 H new ATOM 0 HD12 ILE A 35 3.108 -0.806 -3.097 1.00 71.22 H new ATOM 0 HD13 ILE A 35 2.679 -2.527 -2.949 1.00 71.22 H new ATOM 590 N LEU A 36 2.727 1.201 1.868 1.00 63.24 N ATOM 591 CA LEU A 36 3.047 1.268 3.282 1.00 22.44 C ATOM 592 C LEU A 36 1.932 0.620 4.082 1.00 0.32 C ATOM 593 O LEU A 36 0.854 1.197 4.255 1.00 52.22 O ATOM 594 CB LEU A 36 3.256 2.716 3.726 1.00 24.25 C ATOM 595 CG LEU A 36 4.419 3.443 3.049 1.00 31.01 C ATOM 596 CD1 LEU A 36 4.484 4.889 3.517 1.00 72.10 C ATOM 597 CD2 LEU A 36 5.733 2.729 3.338 1.00 74.52 C ATOM 0 H LEU A 36 2.313 2.051 1.486 1.00 63.24 H new ATOM 0 HA LEU A 36 3.978 0.729 3.460 1.00 22.44 H new ATOM 0 HB2 LEU A 36 2.339 3.274 3.535 1.00 24.25 H new ATOM 0 HB3 LEU A 36 3.418 2.729 4.804 1.00 24.25 H new ATOM 0 HG LEU A 36 4.253 3.436 1.972 1.00 31.01 H new ATOM 0 HD11 LEU A 36 5.317 5.393 3.026 1.00 72.10 H new ATOM 0 HD12 LEU A 36 3.553 5.396 3.263 1.00 72.10 H new ATOM 0 HD13 LEU A 36 4.629 4.916 4.597 1.00 72.10 H new ATOM 0 HD21 LEU A 36 6.550 3.259 2.849 1.00 74.52 H new ATOM 0 HD22 LEU A 36 5.907 2.708 4.414 1.00 74.52 H new ATOM 0 HD23 LEU A 36 5.684 1.709 2.958 1.00 74.52 H new ATOM 609 N GLY A 37 2.181 -0.593 4.534 1.00 5.24 N ATOM 610 CA GLY A 37 1.168 -1.331 5.240 1.00 54.40 C ATOM 611 C GLY A 37 1.609 -1.764 6.615 1.00 23.13 C ATOM 612 O GLY A 37 2.780 -2.086 6.834 1.00 11.50 O ATOM 0 H GLY A 37 3.070 -1.080 4.423 1.00 5.24 H new ATOM 0 HA2 GLY A 37 0.272 -0.716 5.328 1.00 54.40 H new ATOM 0 HA3 GLY A 37 0.894 -2.211 4.658 1.00 54.40 H new ATOM 616 N ARG A 38 0.666 -1.762 7.536 1.00 75.44 N ATOM 617 CA ARG A 38 0.897 -2.240 8.881 1.00 72.13 C ATOM 618 C ARG A 38 -0.404 -2.788 9.439 1.00 15.25 C ATOM 619 O ARG A 38 -1.465 -2.210 9.209 1.00 52.31 O ATOM 620 CB ARG A 38 1.412 -1.117 9.783 1.00 30.51 C ATOM 621 CG ARG A 38 1.741 -1.585 11.191 1.00 54.31 C ATOM 622 CD ARG A 38 2.113 -0.429 12.107 1.00 11.51 C ATOM 623 NE ARG A 38 2.448 -0.891 13.455 1.00 34.23 N ATOM 624 CZ ARG A 38 2.293 -0.162 14.560 1.00 35.32 C ATOM 625 NH1 ARG A 38 1.820 1.078 14.482 1.00 41.11 N ATOM 626 NH2 ARG A 38 2.617 -0.678 15.741 1.00 70.22 N ATOM 0 H ARG A 38 -0.283 -1.428 7.371 1.00 75.44 H new ATOM 0 HA ARG A 38 1.654 -3.023 8.851 1.00 72.13 H new ATOM 0 HB2 ARG A 38 2.304 -0.679 9.335 1.00 30.51 H new ATOM 0 HB3 ARG A 38 0.662 -0.328 9.835 1.00 30.51 H new ATOM 0 HG2 ARG A 38 0.883 -2.114 11.606 1.00 54.31 H new ATOM 0 HG3 ARG A 38 2.566 -2.296 11.152 1.00 54.31 H new ATOM 0 HD2 ARG A 38 2.962 0.110 11.686 1.00 11.51 H new ATOM 0 HD3 ARG A 38 1.283 0.275 12.160 1.00 11.51 H new ATOM 0 HE ARG A 38 2.825 -1.833 13.555 1.00 34.23 H new ATOM 0 HH11 ARG A 38 1.575 1.474 13.575 1.00 41.11 H new ATOM 0 HH12 ARG A 38 1.703 1.633 15.330 1.00 41.11 H new ATOM 0 HH21 ARG A 38 2.983 -1.628 15.799 1.00 70.22 H new ATOM 0 HH22 ARG A 38 2.500 -0.124 16.589 1.00 70.22 H new ATOM 640 N LEU A 39 -0.328 -3.909 10.143 1.00 22.42 N ATOM 641 CA LEU A 39 -1.505 -4.484 10.774 1.00 4.44 C ATOM 642 C LEU A 39 -2.073 -3.516 11.803 1.00 54.21 C ATOM 643 O LEU A 39 -1.342 -2.973 12.630 1.00 71.34 O ATOM 644 CB LEU A 39 -1.198 -5.851 11.416 1.00 75.25 C ATOM 645 CG LEU A 39 -0.108 -5.875 12.499 1.00 73.44 C ATOM 646 CD1 LEU A 39 -0.219 -7.148 13.322 1.00 54.34 C ATOM 647 CD2 LEU A 39 1.283 -5.780 11.884 1.00 4.31 C ATOM 0 H LEU A 39 0.533 -4.436 10.290 1.00 22.42 H new ATOM 0 HA LEU A 39 -2.253 -4.654 9.999 1.00 4.44 H new ATOM 0 HB2 LEU A 39 -2.119 -6.237 11.852 1.00 75.25 H new ATOM 0 HB3 LEU A 39 -0.906 -6.541 10.624 1.00 75.25 H new ATOM 0 HG LEU A 39 -0.257 -5.010 13.145 1.00 73.44 H new ATOM 0 HD11 LEU A 39 0.558 -7.156 14.087 1.00 54.34 H new ATOM 0 HD12 LEU A 39 -1.198 -7.189 13.799 1.00 54.34 H new ATOM 0 HD13 LEU A 39 -0.096 -8.014 12.671 1.00 54.34 H new ATOM 0 HD21 LEU A 39 2.033 -5.799 12.675 1.00 4.31 H new ATOM 0 HD22 LEU A 39 1.442 -6.624 11.212 1.00 4.31 H new ATOM 0 HD23 LEU A 39 1.370 -4.849 11.324 1.00 4.31 H new ATOM 659 N ASN A 40 -3.371 -3.276 11.722 1.00 25.12 N ATOM 660 CA ASN A 40 -4.023 -2.336 12.615 1.00 54.11 C ATOM 661 C ASN A 40 -5.318 -2.932 13.159 1.00 25.43 C ATOM 662 O ASN A 40 -5.622 -4.101 12.914 1.00 23.53 O ATOM 663 CB ASN A 40 -4.280 -0.992 11.899 1.00 2.43 C ATOM 664 CG ASN A 40 -5.270 -1.071 10.742 1.00 0.25 C ATOM 665 OD1 ASN A 40 -6.224 -1.844 10.764 1.00 53.32 O ATOM 666 ND2 ASN A 40 -5.052 -0.258 9.721 1.00 22.40 N ATOM 0 H ASN A 40 -3.993 -3.720 11.046 1.00 25.12 H new ATOM 0 HA ASN A 40 -3.362 -2.140 13.459 1.00 54.11 H new ATOM 0 HB2 ASN A 40 -4.650 -0.271 12.628 1.00 2.43 H new ATOM 0 HB3 ASN A 40 -3.332 -0.608 11.523 1.00 2.43 H new ATOM 0 HD21 ASN A 40 -5.686 -0.262 8.922 1.00 22.40 H new ATOM 0 HD22 ASN A 40 -4.250 0.372 9.733 1.00 22.40 H new ATOM 673 N SER A 41 -6.070 -2.132 13.898 1.00 44.14 N ATOM 674 CA SER A 41 -7.322 -2.584 14.483 1.00 74.13 C ATOM 675 C SER A 41 -8.517 -1.961 13.764 1.00 23.03 C ATOM 676 O SER A 41 -9.642 -1.995 14.262 1.00 13.10 O ATOM 677 CB SER A 41 -7.350 -2.221 15.967 1.00 2.52 C ATOM 678 OG SER A 41 -6.167 -2.658 16.615 1.00 24.13 O ATOM 0 H SER A 41 -5.834 -1.162 14.108 1.00 44.14 H new ATOM 0 HA SER A 41 -7.390 -3.666 14.372 1.00 74.13 H new ATOM 0 HB2 SER A 41 -7.454 -1.142 16.080 1.00 2.52 H new ATOM 0 HB3 SER A 41 -8.219 -2.677 16.441 1.00 2.52 H new ATOM 0 HG SER A 41 -6.204 -2.414 17.563 1.00 24.13 H new ATOM 684 N LEU A 42 -8.267 -1.398 12.588 1.00 20.25 N ATOM 685 CA LEU A 42 -9.318 -0.753 11.812 1.00 64.40 C ATOM 686 C LEU A 42 -10.003 -1.773 10.911 1.00 12.22 C ATOM 687 O LEU A 42 -11.212 -1.987 11.012 1.00 73.43 O ATOM 688 CB LEU A 42 -8.742 0.400 10.982 1.00 32.41 C ATOM 689 CG LEU A 42 -8.031 1.489 11.791 1.00 62.31 C ATOM 690 CD1 LEU A 42 -7.453 2.549 10.870 1.00 3.43 C ATOM 691 CD2 LEU A 42 -8.989 2.117 12.792 1.00 71.44 C ATOM 0 H LEU A 42 -7.346 -1.375 12.151 1.00 20.25 H new ATOM 0 HA LEU A 42 -10.058 -0.341 12.498 1.00 64.40 H new ATOM 0 HB2 LEU A 42 -8.039 -0.010 10.257 1.00 32.41 H new ATOM 0 HB3 LEU A 42 -9.552 0.860 10.416 1.00 32.41 H new ATOM 0 HG LEU A 42 -7.210 1.029 12.340 1.00 62.31 H new ATOM 0 HD11 LEU A 42 -6.952 3.313 11.464 1.00 3.43 H new ATOM 0 HD12 LEU A 42 -6.735 2.089 10.191 1.00 3.43 H new ATOM 0 HD13 LEU A 42 -8.256 3.007 10.293 1.00 3.43 H new ATOM 0 HD21 LEU A 42 -8.468 2.889 13.359 1.00 71.44 H new ATOM 0 HD22 LEU A 42 -9.830 2.562 12.261 1.00 71.44 H new ATOM 0 HD23 LEU A 42 -9.356 1.351 13.475 1.00 71.44 H new ATOM 703 N GLY A 43 -9.222 -2.392 10.028 1.00 42.34 N ATOM 704 CA GLY A 43 -9.734 -3.463 9.191 1.00 11.34 C ATOM 705 C GLY A 43 -10.836 -3.011 8.252 1.00 0.23 C ATOM 706 O GLY A 43 -11.970 -3.482 8.341 1.00 74.11 O ATOM 0 H GLY A 43 -8.238 -2.169 9.878 1.00 42.34 H new ATOM 0 HA2 GLY A 43 -8.915 -3.881 8.606 1.00 11.34 H new ATOM 0 HA3 GLY A 43 -10.113 -4.263 9.827 1.00 11.34 H new ATOM 710 N HIS A 44 -10.513 -2.088 7.358 1.00 21.40 N ATOM 711 CA HIS A 44 -11.478 -1.610 6.377 1.00 51.31 C ATOM 712 C HIS A 44 -10.830 -1.486 5.005 1.00 11.23 C ATOM 713 O HIS A 44 -9.682 -1.072 4.899 1.00 61.15 O ATOM 714 CB HIS A 44 -12.066 -0.260 6.804 1.00 34.21 C ATOM 715 CG HIS A 44 -13.150 -0.377 7.830 1.00 34.34 C ATOM 716 ND1 HIS A 44 -12.945 -0.186 9.177 1.00 23.52 N ATOM 717 CD2 HIS A 44 -14.467 -0.659 7.690 1.00 44.54 C ATOM 718 CE1 HIS A 44 -14.086 -0.344 9.820 1.00 74.45 C ATOM 719 NE2 HIS A 44 -15.028 -0.630 8.941 1.00 72.05 N ATOM 0 H HIS A 44 -9.592 -1.655 7.291 1.00 21.40 H new ATOM 0 HA HIS A 44 -12.287 -2.338 6.319 1.00 51.31 H new ATOM 0 HB2 HIS A 44 -11.267 0.366 7.201 1.00 34.21 H new ATOM 0 HB3 HIS A 44 -12.462 0.249 5.925 1.00 34.21 H new ATOM 0 HD2 HIS A 44 -14.981 -0.868 6.764 1.00 44.54 H new ATOM 0 HE1 HIS A 44 -14.226 -0.254 10.887 1.00 74.45 H new ATOM 0 HE2 HIS A 44 -16.010 -0.801 9.156 1.00 72.05 H new ATOM 728 N PRO A 45 -11.557 -1.850 3.937 1.00 25.32 N ATOM 729 CA PRO A 45 -11.051 -1.779 2.555 1.00 45.44 C ATOM 730 C PRO A 45 -10.956 -0.342 2.027 1.00 53.52 C ATOM 731 O PRO A 45 -11.257 -0.072 0.864 1.00 11.41 O ATOM 732 CB PRO A 45 -12.088 -2.572 1.743 1.00 15.35 C ATOM 733 CG PRO A 45 -12.961 -3.248 2.748 1.00 31.55 C ATOM 734 CD PRO A 45 -12.921 -2.391 3.976 1.00 73.13 C ATOM 0 HA PRO A 45 -10.038 -2.174 2.486 1.00 45.44 H new ATOM 0 HB2 PRO A 45 -12.670 -1.911 1.101 1.00 15.35 H new ATOM 0 HB3 PRO A 45 -11.602 -3.301 1.094 1.00 15.35 H new ATOM 0 HG2 PRO A 45 -13.980 -3.347 2.375 1.00 31.55 H new ATOM 0 HG3 PRO A 45 -12.601 -4.254 2.963 1.00 31.55 H new ATOM 0 HD2 PRO A 45 -13.672 -1.602 3.946 1.00 73.13 H new ATOM 0 HD3 PRO A 45 -13.103 -2.970 4.882 1.00 73.13 H new ATOM 742 N ARG A 46 -10.510 0.571 2.875 1.00 21.14 N ATOM 743 CA ARG A 46 -10.359 1.962 2.482 1.00 52.31 C ATOM 744 C ARG A 46 -8.954 2.190 1.943 1.00 22.33 C ATOM 745 O ARG A 46 -8.040 2.545 2.683 1.00 55.04 O ATOM 746 CB ARG A 46 -10.654 2.898 3.658 1.00 64.15 C ATOM 747 CG ARG A 46 -12.068 2.757 4.200 1.00 33.45 C ATOM 748 CD ARG A 46 -13.107 3.104 3.144 1.00 33.22 C ATOM 749 NE ARG A 46 -14.469 2.823 3.598 1.00 44.14 N ATOM 750 CZ ARG A 46 -15.554 2.962 2.836 1.00 2.02 C ATOM 751 NH1 ARG A 46 -15.450 3.447 1.605 1.00 45.11 N ATOM 752 NH2 ARG A 46 -16.750 2.638 3.312 1.00 65.24 N ATOM 0 H ARG A 46 -10.246 0.373 3.840 1.00 21.14 H new ATOM 0 HA ARG A 46 -11.079 2.188 1.696 1.00 52.31 H new ATOM 0 HB2 ARG A 46 -9.943 2.697 4.460 1.00 64.15 H new ATOM 0 HB3 ARG A 46 -10.495 3.929 3.342 1.00 64.15 H new ATOM 0 HG2 ARG A 46 -12.226 1.735 4.546 1.00 33.45 H new ATOM 0 HG3 ARG A 46 -12.194 3.409 5.064 1.00 33.45 H new ATOM 0 HD2 ARG A 46 -13.022 4.160 2.886 1.00 33.22 H new ATOM 0 HD3 ARG A 46 -12.904 2.536 2.236 1.00 33.22 H new ATOM 0 HE ARG A 46 -14.596 2.501 4.557 1.00 44.14 H new ATOM 0 HH11 ARG A 46 -14.537 3.715 1.238 1.00 45.11 H new ATOM 0 HH12 ARG A 46 -16.283 3.551 1.026 1.00 45.11 H new ATOM 0 HH21 ARG A 46 -16.841 2.282 4.263 1.00 65.24 H new ATOM 0 HH22 ARG A 46 -17.578 2.746 2.726 1.00 65.24 H new ATOM 766 N ILE A 47 -8.793 1.938 0.652 1.00 40.44 N ATOM 767 CA ILE A 47 -7.498 2.038 -0.004 1.00 12.42 C ATOM 768 C ILE A 47 -7.065 3.504 -0.152 1.00 63.43 C ATOM 769 O ILE A 47 -7.726 4.307 -0.814 1.00 74.44 O ATOM 770 CB ILE A 47 -7.535 1.323 -1.383 1.00 2.33 C ATOM 771 CG1 ILE A 47 -6.155 1.349 -2.055 1.00 71.43 C ATOM 772 CG2 ILE A 47 -8.604 1.927 -2.290 1.00 34.05 C ATOM 773 CD1 ILE A 47 -6.162 0.852 -3.485 1.00 1.24 C ATOM 0 H ILE A 47 -9.554 1.659 0.032 1.00 40.44 H new ATOM 0 HA ILE A 47 -6.757 1.539 0.621 1.00 12.42 H new ATOM 0 HB ILE A 47 -7.801 0.280 -1.210 1.00 2.33 H new ATOM 0 HG12 ILE A 47 -5.772 2.369 -2.037 1.00 71.43 H new ATOM 0 HG13 ILE A 47 -5.466 0.739 -1.472 1.00 71.43 H new ATOM 0 HG21 ILE A 47 -8.606 1.406 -3.247 1.00 34.05 H new ATOM 0 HG22 ILE A 47 -9.582 1.824 -1.819 1.00 34.05 H new ATOM 0 HG23 ILE A 47 -8.389 2.983 -2.452 1.00 34.05 H new ATOM 0 HD11 ILE A 47 -5.152 0.900 -3.892 1.00 1.24 H new ATOM 0 HD12 ILE A 47 -6.514 -0.179 -3.510 1.00 1.24 H new ATOM 0 HD13 ILE A 47 -6.825 1.476 -4.084 1.00 1.24 H new ATOM 785 N GLY A 48 -5.963 3.853 0.502 1.00 10.53 N ATOM 786 CA GLY A 48 -5.464 5.211 0.437 1.00 65.30 C ATOM 787 C GLY A 48 -4.295 5.342 -0.517 1.00 52.35 C ATOM 788 O GLY A 48 -3.207 4.841 -0.246 1.00 51.44 O ATOM 0 H GLY A 48 -5.407 3.219 1.076 1.00 10.53 H new ATOM 0 HA2 GLY A 48 -6.267 5.877 0.120 1.00 65.30 H new ATOM 0 HA3 GLY A 48 -5.157 5.532 1.432 1.00 65.30 H new ATOM 792 N LEU A 49 -4.519 6.008 -1.640 1.00 63.22 N ATOM 793 CA LEU A 49 -3.475 6.188 -2.637 1.00 35.22 C ATOM 794 C LEU A 49 -2.853 7.574 -2.517 1.00 1.53 C ATOM 795 O LEU A 49 -3.562 8.581 -2.442 1.00 24.24 O ATOM 796 CB LEU A 49 -4.042 5.985 -4.044 1.00 64.10 C ATOM 797 CG LEU A 49 -3.019 6.083 -5.175 1.00 71.42 C ATOM 798 CD1 LEU A 49 -1.963 4.994 -5.049 1.00 32.51 C ATOM 799 CD2 LEU A 49 -3.716 5.995 -6.522 1.00 63.44 C ATOM 0 H LEU A 49 -5.414 6.432 -1.883 1.00 63.22 H new ATOM 0 HA LEU A 49 -2.699 5.443 -2.460 1.00 35.22 H new ATOM 0 HB2 LEU A 49 -4.518 5.005 -4.089 1.00 64.10 H new ATOM 0 HB3 LEU A 49 -4.822 6.727 -4.215 1.00 64.10 H new ATOM 0 HG LEU A 49 -2.518 7.048 -5.101 1.00 71.42 H new ATOM 0 HD11 LEU A 49 -1.247 5.085 -5.866 1.00 32.51 H new ATOM 0 HD12 LEU A 49 -1.443 5.100 -4.097 1.00 32.51 H new ATOM 0 HD13 LEU A 49 -2.442 4.016 -5.094 1.00 32.51 H new ATOM 0 HD21 LEU A 49 -2.977 6.066 -7.320 1.00 63.44 H new ATOM 0 HD22 LEU A 49 -4.242 5.043 -6.598 1.00 63.44 H new ATOM 0 HD23 LEU A 49 -4.431 6.813 -6.616 1.00 63.44 H new ATOM 811 N THR A 50 -1.529 7.618 -2.485 1.00 62.51 N ATOM 812 CA THR A 50 -0.799 8.871 -2.381 1.00 43.23 C ATOM 813 C THR A 50 -0.064 9.183 -3.683 1.00 3.23 C ATOM 814 O THR A 50 0.932 8.536 -4.021 1.00 42.01 O ATOM 815 CB THR A 50 0.210 8.824 -1.218 1.00 61.02 C ATOM 816 OG1 THR A 50 -0.457 8.391 -0.029 1.00 43.41 O ATOM 817 CG2 THR A 50 0.844 10.191 -0.984 1.00 30.52 C ATOM 0 H THR A 50 -0.934 6.791 -2.530 1.00 62.51 H new ATOM 0 HA THR A 50 -1.526 9.660 -2.187 1.00 43.23 H new ATOM 0 HB THR A 50 1.003 8.122 -1.476 1.00 61.02 H new ATOM 0 HG1 THR A 50 0.183 8.359 0.712 1.00 43.41 H new ATOM 0 HG21 THR A 50 1.552 10.127 -0.157 1.00 30.52 H new ATOM 0 HG22 THR A 50 1.367 10.509 -1.886 1.00 30.52 H new ATOM 0 HG23 THR A 50 0.067 10.916 -0.741 1.00 30.52 H new ATOM 825 N VAL A 51 -0.576 10.159 -4.420 1.00 32.24 N ATOM 826 CA VAL A 51 0.040 10.596 -5.665 1.00 11.24 C ATOM 827 C VAL A 51 0.111 12.117 -5.690 1.00 34.22 C ATOM 828 O VAL A 51 -0.904 12.791 -5.533 1.00 52.35 O ATOM 829 CB VAL A 51 -0.748 10.105 -6.902 1.00 60.51 C ATOM 830 CG1 VAL A 51 -0.104 10.602 -8.187 1.00 62.54 C ATOM 831 CG2 VAL A 51 -0.853 8.587 -6.912 1.00 70.31 C ATOM 0 H VAL A 51 -1.425 10.668 -4.174 1.00 32.24 H new ATOM 0 HA VAL A 51 1.040 10.165 -5.709 1.00 11.24 H new ATOM 0 HB VAL A 51 -1.755 10.517 -6.842 1.00 60.51 H new ATOM 0 HG11 VAL A 51 -0.676 10.244 -9.043 1.00 62.54 H new ATOM 0 HG12 VAL A 51 -0.091 11.692 -8.190 1.00 62.54 H new ATOM 0 HG13 VAL A 51 0.917 10.227 -8.251 1.00 62.54 H new ATOM 0 HG21 VAL A 51 -1.411 8.267 -7.792 1.00 70.31 H new ATOM 0 HG22 VAL A 51 0.147 8.153 -6.939 1.00 70.31 H new ATOM 0 HG23 VAL A 51 -1.370 8.252 -6.012 1.00 70.31 H new ATOM 841 N ALA A 52 1.305 12.652 -5.887 1.00 35.25 N ATOM 842 CA ALA A 52 1.510 14.094 -5.855 1.00 72.14 C ATOM 843 C ALA A 52 2.317 14.567 -7.060 1.00 62.30 C ATOM 844 O ALA A 52 2.580 13.789 -7.980 1.00 15.13 O ATOM 845 CB ALA A 52 2.203 14.496 -4.565 1.00 50.41 C ATOM 0 H ALA A 52 2.149 12.110 -6.071 1.00 35.25 H new ATOM 0 HA ALA A 52 0.532 14.574 -5.899 1.00 72.14 H new ATOM 0 HB1 ALA A 52 2.351 15.576 -4.553 1.00 50.41 H new ATOM 0 HB2 ALA A 52 1.587 14.204 -3.715 1.00 50.41 H new ATOM 0 HB3 ALA A 52 3.170 13.997 -4.500 1.00 50.41 H new ATOM 851 N LYS A 53 2.716 15.839 -7.024 1.00 2.31 N ATOM 852 CA LYS A 53 3.436 16.483 -8.125 1.00 63.34 C ATOM 853 C LYS A 53 4.703 15.720 -8.514 1.00 14.00 C ATOM 854 O LYS A 53 4.934 15.446 -9.689 1.00 34.55 O ATOM 855 CB LYS A 53 3.824 17.912 -7.732 1.00 73.23 C ATOM 856 CG LYS A 53 2.649 18.833 -7.435 1.00 11.21 C ATOM 857 CD LYS A 53 3.131 20.152 -6.851 1.00 31.43 C ATOM 858 CE LYS A 53 1.991 21.131 -6.615 1.00 12.51 C ATOM 859 NZ LYS A 53 1.406 21.630 -7.887 1.00 71.30 N ATOM 0 H LYS A 53 2.549 16.454 -6.228 1.00 2.31 H new ATOM 0 HA LYS A 53 2.764 16.490 -8.983 1.00 63.34 H new ATOM 0 HB2 LYS A 53 4.466 17.870 -6.852 1.00 73.23 H new ATOM 0 HB3 LYS A 53 4.415 18.348 -8.538 1.00 73.23 H new ATOM 0 HG2 LYS A 53 2.087 19.019 -8.350 1.00 11.21 H new ATOM 0 HG3 LYS A 53 1.968 18.348 -6.736 1.00 11.21 H new ATOM 0 HD2 LYS A 53 3.645 19.963 -5.909 1.00 31.43 H new ATOM 0 HD3 LYS A 53 3.859 20.601 -7.527 1.00 31.43 H new ATOM 0 HE2 LYS A 53 1.213 20.645 -6.026 1.00 12.51 H new ATOM 0 HE3 LYS A 53 2.355 21.975 -6.029 1.00 12.51 H new ATOM 0 HZ1 LYS A 53 0.728 22.392 -7.682 1.00 71.30 H new ATOM 0 HZ2 LYS A 53 2.164 21.996 -8.498 1.00 71.30 H new ATOM 0 HZ3 LYS A 53 0.916 20.852 -8.372 1.00 71.30 H new ATOM 873 N LYS A 54 5.527 15.389 -7.525 1.00 30.34 N ATOM 874 CA LYS A 54 6.807 14.747 -7.800 1.00 14.32 C ATOM 875 C LYS A 54 6.647 13.236 -7.947 1.00 31.22 C ATOM 876 O LYS A 54 7.594 12.535 -8.297 1.00 10.43 O ATOM 877 CB LYS A 54 7.824 15.068 -6.700 1.00 34.21 C ATOM 878 CG LYS A 54 7.495 14.456 -5.348 1.00 15.11 C ATOM 879 CD LYS A 54 8.577 14.760 -4.322 1.00 50.15 C ATOM 880 CE LYS A 54 8.595 16.231 -3.939 1.00 10.21 C ATOM 881 NZ LYS A 54 7.373 16.621 -3.190 1.00 44.43 N ATOM 0 H LYS A 54 5.334 15.552 -6.537 1.00 30.34 H new ATOM 0 HA LYS A 54 7.179 15.143 -8.745 1.00 14.32 H new ATOM 0 HB2 LYS A 54 8.806 14.717 -7.016 1.00 34.21 H new ATOM 0 HB3 LYS A 54 7.893 16.150 -6.589 1.00 34.21 H new ATOM 0 HG2 LYS A 54 6.539 14.842 -4.995 1.00 15.11 H new ATOM 0 HG3 LYS A 54 7.384 13.377 -5.453 1.00 15.11 H new ATOM 0 HD2 LYS A 54 8.413 14.154 -3.431 1.00 50.15 H new ATOM 0 HD3 LYS A 54 9.550 14.477 -4.725 1.00 50.15 H new ATOM 0 HE2 LYS A 54 9.476 16.437 -3.331 1.00 10.21 H new ATOM 0 HE3 LYS A 54 8.679 16.840 -4.839 1.00 10.21 H new ATOM 0 HZ1 LYS A 54 7.520 17.549 -2.745 1.00 44.43 H new ATOM 0 HZ2 LYS A 54 6.567 16.675 -3.845 1.00 44.43 H new ATOM 0 HZ3 LYS A 54 7.175 15.912 -2.455 1.00 44.43 H new ATOM 895 N ASN A 55 5.444 12.744 -7.690 1.00 53.12 N ATOM 896 CA ASN A 55 5.167 11.320 -7.812 1.00 14.24 C ATOM 897 C ASN A 55 4.821 10.997 -9.259 1.00 30.34 C ATOM 898 O ASN A 55 5.473 10.171 -9.902 1.00 51.12 O ATOM 899 CB ASN A 55 4.014 10.887 -6.892 1.00 50.35 C ATOM 900 CG ASN A 55 4.250 11.199 -5.419 1.00 12.05 C ATOM 901 OD1 ASN A 55 4.813 12.234 -5.060 1.00 52.43 O ATOM 902 ND2 ASN A 55 3.824 10.297 -4.551 1.00 14.22 N ATOM 0 H ASN A 55 4.646 13.308 -7.397 1.00 53.12 H new ATOM 0 HA ASN A 55 6.059 10.771 -7.508 1.00 14.24 H new ATOM 0 HB2 ASN A 55 3.098 11.381 -7.216 1.00 50.35 H new ATOM 0 HB3 ASN A 55 3.855 9.815 -7.005 1.00 50.35 H new ATOM 0 HD21 ASN A 55 3.958 10.448 -3.551 1.00 14.22 H new ATOM 0 HD22 ASN A 55 3.361 9.450 -4.881 1.00 14.22 H new ATOM 909 N VAL A 56 3.794 11.664 -9.770 1.00 74.12 N ATOM 910 CA VAL A 56 3.397 11.525 -11.162 1.00 64.33 C ATOM 911 C VAL A 56 3.156 12.909 -11.747 1.00 33.02 C ATOM 912 O VAL A 56 2.264 13.628 -11.300 1.00 71.22 O ATOM 913 CB VAL A 56 2.125 10.667 -11.331 1.00 22.44 C ATOM 914 CG1 VAL A 56 1.816 10.468 -12.805 1.00 33.22 C ATOM 915 CG2 VAL A 56 2.272 9.324 -10.631 1.00 61.34 C ATOM 0 H VAL A 56 3.217 12.312 -9.234 1.00 74.12 H new ATOM 0 HA VAL A 56 4.203 11.014 -11.689 1.00 64.33 H new ATOM 0 HB VAL A 56 1.294 11.198 -10.867 1.00 22.44 H new ATOM 0 HG11 VAL A 56 0.917 9.861 -12.910 1.00 33.22 H new ATOM 0 HG12 VAL A 56 1.657 11.437 -13.277 1.00 33.22 H new ATOM 0 HG13 VAL A 56 2.653 9.963 -13.287 1.00 33.22 H new ATOM 0 HG21 VAL A 56 1.361 8.741 -10.767 1.00 61.34 H new ATOM 0 HG22 VAL A 56 3.116 8.782 -11.057 1.00 61.34 H new ATOM 0 HG23 VAL A 56 2.444 9.485 -9.567 1.00 61.34 H new ATOM 925 N ARG A 57 3.951 13.271 -12.740 1.00 42.34 N ATOM 926 CA ARG A 57 3.975 14.642 -13.238 1.00 61.14 C ATOM 927 C ARG A 57 2.842 14.908 -14.236 1.00 12.14 C ATOM 928 O ARG A 57 2.409 16.049 -14.400 1.00 3.32 O ATOM 929 CB ARG A 57 5.342 14.920 -13.873 1.00 51.21 C ATOM 930 CG ARG A 57 5.869 16.329 -13.635 1.00 1.12 C ATOM 931 CD ARG A 57 5.210 17.343 -14.552 1.00 75.41 C ATOM 932 NE ARG A 57 5.478 17.051 -15.958 1.00 10.32 N ATOM 933 CZ ARG A 57 4.772 17.553 -16.968 1.00 35.42 C ATOM 934 NH1 ARG A 57 3.771 18.389 -16.738 1.00 52.51 N ATOM 935 NH2 ARG A 57 5.062 17.222 -18.218 1.00 11.25 N ATOM 0 H ARG A 57 4.590 12.636 -13.219 1.00 42.34 H new ATOM 0 HA ARG A 57 3.817 15.320 -12.399 1.00 61.14 H new ATOM 0 HB2 ARG A 57 6.064 14.204 -13.481 1.00 51.21 H new ATOM 0 HB3 ARG A 57 5.273 14.747 -14.947 1.00 51.21 H new ATOM 0 HG2 ARG A 57 5.694 16.611 -12.597 1.00 1.12 H new ATOM 0 HG3 ARG A 57 6.947 16.344 -13.792 1.00 1.12 H new ATOM 0 HD2 ARG A 57 4.134 17.345 -14.379 1.00 75.41 H new ATOM 0 HD3 ARG A 57 5.574 18.342 -14.312 1.00 75.41 H new ATOM 0 HE ARG A 57 6.252 16.425 -16.179 1.00 10.32 H new ATOM 0 HH11 ARG A 57 3.536 18.653 -15.781 1.00 52.51 H new ATOM 0 HH12 ARG A 57 3.235 18.769 -17.518 1.00 52.51 H new ATOM 0 HH21 ARG A 57 5.830 16.579 -18.410 1.00 11.25 H new ATOM 0 HH22 ARG A 57 4.517 17.610 -18.988 1.00 11.25 H new ATOM 949 N ARG A 58 2.360 13.866 -14.905 1.00 30.34 N ATOM 950 CA ARG A 58 1.269 14.028 -15.862 1.00 45.21 C ATOM 951 C ARG A 58 -0.055 13.548 -15.271 1.00 62.41 C ATOM 952 O ARG A 58 -0.122 12.489 -14.645 1.00 72.31 O ATOM 953 CB ARG A 58 1.580 13.303 -17.175 1.00 50.01 C ATOM 954 CG ARG A 58 2.721 13.943 -17.953 1.00 41.50 C ATOM 955 CD ARG A 58 2.883 13.325 -19.331 1.00 40.45 C ATOM 956 NE ARG A 58 3.909 14.012 -20.117 1.00 44.55 N ATOM 957 CZ ARG A 58 3.764 14.348 -21.399 1.00 64.05 C ATOM 958 NH1 ARG A 58 2.648 14.043 -22.050 1.00 3.24 N ATOM 959 NH2 ARG A 58 4.738 14.979 -22.041 1.00 53.22 N ATOM 0 H ARG A 58 2.702 12.910 -14.805 1.00 30.34 H new ATOM 0 HA ARG A 58 1.170 15.091 -16.081 1.00 45.21 H new ATOM 0 HB2 ARG A 58 1.832 12.265 -16.959 1.00 50.01 H new ATOM 0 HB3 ARG A 58 0.685 13.291 -17.797 1.00 50.01 H new ATOM 0 HG2 ARG A 58 2.537 15.013 -18.054 1.00 41.50 H new ATOM 0 HG3 ARG A 58 3.650 13.831 -17.393 1.00 41.50 H new ATOM 0 HD2 ARG A 58 3.147 12.273 -19.229 1.00 40.45 H new ATOM 0 HD3 ARG A 58 1.932 13.364 -19.861 1.00 40.45 H new ATOM 0 HE ARG A 58 4.788 14.248 -19.656 1.00 44.55 H new ATOM 0 HH11 ARG A 58 1.896 13.549 -21.569 1.00 3.24 H new ATOM 0 HH12 ARG A 58 2.543 14.303 -23.031 1.00 3.24 H new ATOM 0 HH21 ARG A 58 5.604 15.210 -21.554 1.00 53.22 H new ATOM 0 HH22 ARG A 58 4.621 15.233 -23.022 1.00 53.22 H new ATOM 973 N ALA A 59 -1.107 14.332 -15.498 1.00 54.54 N ATOM 974 CA ALA A 59 -2.402 14.125 -14.849 1.00 61.04 C ATOM 975 C ALA A 59 -3.036 12.786 -15.212 1.00 62.53 C ATOM 976 O ALA A 59 -3.520 12.068 -14.337 1.00 51.34 O ATOM 977 CB ALA A 59 -3.346 15.264 -15.202 1.00 22.22 C ATOM 0 H ALA A 59 -1.087 15.128 -16.136 1.00 54.54 H new ATOM 0 HA ALA A 59 -2.224 14.110 -13.774 1.00 61.04 H new ATOM 0 HB1 ALA A 59 -4.308 15.103 -14.715 1.00 22.22 H new ATOM 0 HB2 ALA A 59 -2.920 16.208 -14.862 1.00 22.22 H new ATOM 0 HB3 ALA A 59 -3.487 15.298 -16.282 1.00 22.22 H new ATOM 983 N HIS A 60 -3.030 12.450 -16.497 1.00 54.12 N ATOM 984 CA HIS A 60 -3.648 11.211 -16.969 1.00 4.25 C ATOM 985 C HIS A 60 -2.999 9.992 -16.327 1.00 74.40 C ATOM 986 O HIS A 60 -3.671 9.006 -16.022 1.00 32.15 O ATOM 987 CB HIS A 60 -3.558 11.096 -18.493 1.00 1.32 C ATOM 988 CG HIS A 60 -4.619 11.860 -19.221 1.00 60.24 C ATOM 989 ND1 HIS A 60 -5.743 11.262 -19.740 1.00 41.21 N ATOM 990 CD2 HIS A 60 -4.723 13.176 -19.521 1.00 52.44 C ATOM 991 CE1 HIS A 60 -6.493 12.173 -20.328 1.00 51.13 C ATOM 992 NE2 HIS A 60 -5.897 13.345 -20.216 1.00 44.34 N ATOM 0 H HIS A 60 -2.605 13.016 -17.232 1.00 54.12 H new ATOM 0 HA HIS A 60 -4.698 11.244 -16.678 1.00 4.25 H new ATOM 0 HB2 HIS A 60 -2.580 11.452 -18.818 1.00 1.32 H new ATOM 0 HB3 HIS A 60 -3.624 10.045 -18.773 1.00 1.32 H new ATOM 0 HD2 HIS A 60 -4.015 13.950 -19.262 1.00 52.44 H new ATOM 0 HE1 HIS A 60 -7.437 11.991 -20.819 1.00 51.13 H new ATOM 0 HE2 HIS A 60 -6.249 14.229 -20.584 1.00 44.34 H new ATOM 1001 N GLU A 61 -1.700 10.074 -16.099 1.00 53.43 N ATOM 1002 CA GLU A 61 -0.967 8.960 -15.533 1.00 73.42 C ATOM 1003 C GLU A 61 -1.229 8.841 -14.034 1.00 33.34 C ATOM 1004 O GLU A 61 -1.146 7.750 -13.474 1.00 72.55 O ATOM 1005 CB GLU A 61 0.523 9.108 -15.827 1.00 14.54 C ATOM 1006 CG GLU A 61 0.834 9.090 -17.316 1.00 1.23 C ATOM 1007 CD GLU A 61 0.387 7.806 -17.987 1.00 32.53 C ATOM 1008 OE1 GLU A 61 -0.790 7.717 -18.396 1.00 21.01 O ATOM 1009 OE2 GLU A 61 1.210 6.876 -18.108 1.00 53.30 O ATOM 0 H GLU A 61 -1.134 10.899 -16.297 1.00 53.43 H new ATOM 0 HA GLU A 61 -1.316 8.039 -15.999 1.00 73.42 H new ATOM 0 HB2 GLU A 61 0.883 10.043 -15.397 1.00 14.54 H new ATOM 0 HB3 GLU A 61 1.067 8.301 -15.337 1.00 14.54 H new ATOM 0 HG2 GLU A 61 0.344 9.937 -17.796 1.00 1.23 H new ATOM 0 HG3 GLU A 61 1.907 9.218 -17.461 1.00 1.23 H new ATOM 1016 N ARG A 62 -1.573 9.956 -13.389 1.00 43.03 N ATOM 1017 CA ARG A 62 -1.955 9.916 -11.979 1.00 44.01 C ATOM 1018 C ARG A 62 -3.250 9.130 -11.835 1.00 44.24 C ATOM 1019 O ARG A 62 -3.425 8.355 -10.896 1.00 13.25 O ATOM 1020 CB ARG A 62 -2.150 11.323 -11.395 1.00 72.12 C ATOM 1021 CG ARG A 62 -0.985 12.270 -11.630 1.00 52.43 C ATOM 1022 CD ARG A 62 -0.911 13.355 -10.565 1.00 71.20 C ATOM 1023 NE ARG A 62 -2.160 14.107 -10.428 1.00 43.41 N ATOM 1024 CZ ARG A 62 -2.644 14.530 -9.257 1.00 11.54 C ATOM 1025 NH1 ARG A 62 -1.986 14.276 -8.130 1.00 23.24 N ATOM 1026 NH2 ARG A 62 -3.776 15.220 -9.217 1.00 4.21 N ATOM 0 H ARG A 62 -1.595 10.884 -13.813 1.00 43.03 H new ATOM 0 HA ARG A 62 -1.148 9.435 -11.427 1.00 44.01 H new ATOM 0 HB2 ARG A 62 -3.050 11.760 -11.827 1.00 72.12 H new ATOM 0 HB3 ARG A 62 -2.321 11.237 -10.322 1.00 72.12 H new ATOM 0 HG2 ARG A 62 -0.053 11.704 -11.637 1.00 52.43 H new ATOM 0 HG3 ARG A 62 -1.085 12.732 -12.612 1.00 52.43 H new ATOM 0 HD2 ARG A 62 -0.660 12.900 -9.607 1.00 71.20 H new ATOM 0 HD3 ARG A 62 -0.103 14.044 -10.812 1.00 71.20 H new ATOM 0 HE ARG A 62 -2.690 14.320 -11.273 1.00 43.41 H new ATOM 0 HH11 ARG A 62 -1.109 13.757 -8.158 1.00 23.24 H new ATOM 0 HH12 ARG A 62 -2.359 14.601 -7.238 1.00 23.24 H new ATOM 0 HH21 ARG A 62 -4.277 15.428 -10.081 1.00 4.21 H new ATOM 0 HH22 ARG A 62 -4.145 15.543 -8.323 1.00 4.21 H new ATOM 1040 N ASN A 63 -4.142 9.328 -12.795 1.00 24.21 N ATOM 1041 CA ASN A 63 -5.427 8.641 -12.816 1.00 11.11 C ATOM 1042 C ASN A 63 -5.241 7.174 -13.180 1.00 55.02 C ATOM 1043 O ASN A 63 -5.991 6.309 -12.728 1.00 45.55 O ATOM 1044 CB ASN A 63 -6.376 9.325 -13.804 1.00 14.15 C ATOM 1045 CG ASN A 63 -6.774 10.717 -13.353 1.00 73.23 C ATOM 1046 OD1 ASN A 63 -6.893 10.988 -12.158 1.00 34.22 O ATOM 1047 ND2 ASN A 63 -6.974 11.617 -14.304 1.00 51.34 N ATOM 0 H ASN A 63 -3.997 9.966 -13.578 1.00 24.21 H new ATOM 0 HA ASN A 63 -5.867 8.693 -11.820 1.00 11.11 H new ATOM 0 HB2 ASN A 63 -5.897 9.386 -14.781 1.00 14.15 H new ATOM 0 HB3 ASN A 63 -7.271 8.715 -13.925 1.00 14.15 H new ATOM 0 HD21 ASN A 63 -7.236 12.571 -14.056 1.00 51.34 H new ATOM 0 HD22 ASN A 63 -6.866 11.356 -15.284 1.00 51.34 H new ATOM 1054 N ARG A 64 -4.223 6.894 -13.988 1.00 53.31 N ATOM 1055 CA ARG A 64 -3.888 5.522 -14.347 1.00 32.21 C ATOM 1056 C ARG A 64 -3.393 4.767 -13.113 1.00 40.24 C ATOM 1057 O ARG A 64 -3.676 3.579 -12.941 1.00 60.41 O ATOM 1058 CB ARG A 64 -2.829 5.506 -15.458 1.00 73.42 C ATOM 1059 CG ARG A 64 -2.517 4.117 -15.998 1.00 11.40 C ATOM 1060 CD ARG A 64 -1.139 3.639 -15.566 1.00 53.01 C ATOM 1061 NE ARG A 64 -0.068 4.446 -16.152 1.00 42.04 N ATOM 1062 CZ ARG A 64 1.208 4.381 -15.778 1.00 1.43 C ATOM 1063 NH1 ARG A 64 1.581 3.550 -14.807 1.00 41.13 N ATOM 1064 NH2 ARG A 64 2.107 5.150 -16.376 1.00 51.33 N ATOM 0 H ARG A 64 -3.616 7.600 -14.406 1.00 53.31 H new ATOM 0 HA ARG A 64 -4.782 5.023 -14.723 1.00 32.21 H new ATOM 0 HB2 ARG A 64 -3.170 6.136 -16.280 1.00 73.42 H new ATOM 0 HB3 ARG A 64 -1.910 5.951 -15.076 1.00 73.42 H new ATOM 0 HG2 ARG A 64 -3.272 3.413 -15.648 1.00 11.40 H new ATOM 0 HG3 ARG A 64 -2.573 4.129 -17.087 1.00 11.40 H new ATOM 0 HD2 ARG A 64 -1.067 3.676 -14.479 1.00 53.01 H new ATOM 0 HD3 ARG A 64 -1.009 2.597 -15.859 1.00 53.01 H new ATOM 0 HE ARG A 64 -0.315 5.100 -16.895 1.00 42.04 H new ATOM 0 HH11 ARG A 64 0.888 2.960 -14.347 1.00 41.13 H new ATOM 0 HH12 ARG A 64 2.560 3.503 -14.524 1.00 41.13 H new ATOM 0 HH21 ARG A 64 1.820 5.787 -17.119 1.00 51.33 H new ATOM 0 HH22 ARG A 64 3.086 5.104 -16.093 1.00 51.33 H new ATOM 1078 N ILE A 65 -2.667 5.470 -12.248 1.00 64.43 N ATOM 1079 CA ILE A 65 -2.190 4.891 -10.998 1.00 71.14 C ATOM 1080 C ILE A 65 -3.367 4.600 -10.066 1.00 22.05 C ATOM 1081 O ILE A 65 -3.349 3.634 -9.299 1.00 64.11 O ATOM 1082 CB ILE A 65 -1.172 5.821 -10.291 1.00 64.02 C ATOM 1083 CG1 ILE A 65 0.037 6.079 -11.197 1.00 63.23 C ATOM 1084 CG2 ILE A 65 -0.722 5.226 -8.962 1.00 52.34 C ATOM 1085 CD1 ILE A 65 0.793 4.828 -11.591 1.00 24.31 C ATOM 0 H ILE A 65 -2.396 6.443 -12.391 1.00 64.43 H new ATOM 0 HA ILE A 65 -1.681 3.958 -11.239 1.00 71.14 H new ATOM 0 HB ILE A 65 -1.666 6.771 -10.088 1.00 64.02 H new ATOM 0 HG12 ILE A 65 -0.302 6.586 -12.101 1.00 63.23 H new ATOM 0 HG13 ILE A 65 0.721 6.758 -10.688 1.00 63.23 H new ATOM 0 HG21 ILE A 65 -0.008 5.898 -8.486 1.00 52.34 H new ATOM 0 HG22 ILE A 65 -1.586 5.094 -8.311 1.00 52.34 H new ATOM 0 HG23 ILE A 65 -0.250 4.260 -9.137 1.00 52.34 H new ATOM 0 HD11 ILE A 65 1.633 5.097 -12.231 1.00 24.31 H new ATOM 0 HD12 ILE A 65 1.164 4.330 -10.695 1.00 24.31 H new ATOM 0 HD13 ILE A 65 0.127 4.155 -12.130 1.00 24.31 H new ATOM 1097 N LYS A 66 -4.406 5.426 -10.164 1.00 55.05 N ATOM 1098 CA LYS A 66 -5.623 5.225 -9.385 1.00 51.31 C ATOM 1099 C LYS A 66 -6.353 3.960 -9.826 1.00 13.05 C ATOM 1100 O LYS A 66 -7.284 3.505 -9.164 1.00 60.11 O ATOM 1101 CB LYS A 66 -6.564 6.427 -9.511 1.00 63.52 C ATOM 1102 CG LYS A 66 -6.045 7.698 -8.858 1.00 13.15 C ATOM 1103 CD LYS A 66 -7.096 8.797 -8.890 1.00 45.33 C ATOM 1104 CE LYS A 66 -6.654 10.023 -8.107 1.00 71.32 C ATOM 1105 NZ LYS A 66 -7.745 11.028 -7.987 1.00 30.43 N ATOM 0 H LYS A 66 -4.428 6.241 -10.776 1.00 55.05 H new ATOM 0 HA LYS A 66 -5.325 5.117 -8.342 1.00 51.31 H new ATOM 0 HB2 LYS A 66 -6.745 6.623 -10.568 1.00 63.52 H new ATOM 0 HB3 LYS A 66 -7.525 6.170 -9.066 1.00 63.52 H new ATOM 0 HG2 LYS A 66 -5.762 7.491 -7.826 1.00 13.15 H new ATOM 0 HG3 LYS A 66 -5.146 8.035 -9.374 1.00 13.15 H new ATOM 0 HD2 LYS A 66 -7.296 9.079 -9.924 1.00 45.33 H new ATOM 0 HD3 LYS A 66 -8.031 8.419 -8.476 1.00 45.33 H new ATOM 0 HE2 LYS A 66 -6.328 9.720 -7.112 1.00 71.32 H new ATOM 0 HE3 LYS A 66 -5.794 10.478 -8.599 1.00 71.32 H new ATOM 0 HZ1 LYS A 66 -7.403 11.848 -7.447 1.00 30.43 H new ATOM 0 HZ2 LYS A 66 -8.039 11.336 -8.936 1.00 30.43 H new ATOM 0 HZ3 LYS A 66 -8.556 10.603 -7.495 1.00 30.43 H new ATOM 1119 N ARG A 67 -5.945 3.408 -10.961 1.00 43.00 N ATOM 1120 CA ARG A 67 -6.492 2.146 -11.424 1.00 71.22 C ATOM 1121 C ARG A 67 -5.590 0.993 -11.013 1.00 4.15 C ATOM 1122 O ARG A 67 -6.068 -0.008 -10.497 1.00 43.44 O ATOM 1123 CB ARG A 67 -6.672 2.142 -12.940 1.00 43.23 C ATOM 1124 CG ARG A 67 -7.756 3.081 -13.437 1.00 33.42 C ATOM 1125 CD ARG A 67 -8.114 2.771 -14.879 1.00 12.41 C ATOM 1126 NE ARG A 67 -8.539 1.382 -15.037 1.00 4.05 N ATOM 1127 CZ ARG A 67 -8.445 0.692 -16.170 1.00 13.22 C ATOM 1128 NH1 ARG A 67 -7.949 1.261 -17.262 1.00 33.22 N ATOM 1129 NH2 ARG A 67 -8.842 -0.574 -16.201 1.00 53.21 N ATOM 0 H ARG A 67 -5.239 3.815 -11.574 1.00 43.00 H new ATOM 0 HA ARG A 67 -7.471 2.021 -10.960 1.00 71.22 H new ATOM 0 HB2 ARG A 67 -5.726 2.415 -13.408 1.00 43.23 H new ATOM 0 HB3 ARG A 67 -6.907 1.128 -13.265 1.00 43.23 H new ATOM 0 HG2 ARG A 67 -8.642 2.987 -12.809 1.00 33.42 H new ATOM 0 HG3 ARG A 67 -7.416 4.113 -13.355 1.00 33.42 H new ATOM 0 HD2 ARG A 67 -8.912 3.437 -15.208 1.00 12.41 H new ATOM 0 HD3 ARG A 67 -7.253 2.964 -15.519 1.00 12.41 H new ATOM 0 HE ARG A 67 -8.934 0.910 -14.224 1.00 4.05 H new ATOM 0 HH11 ARG A 67 -7.638 2.232 -17.235 1.00 33.22 H new ATOM 0 HH12 ARG A 67 -7.879 0.727 -18.128 1.00 33.22 H new ATOM 0 HH21 ARG A 67 -9.216 -1.012 -15.359 1.00 53.21 H new ATOM 0 HH22 ARG A 67 -8.773 -1.109 -17.067 1.00 53.21 H new ATOM 1143 N LEU A 68 -4.285 1.162 -11.228 1.00 62.41 N ATOM 1144 CA LEU A 68 -3.291 0.121 -10.944 1.00 24.10 C ATOM 1145 C LEU A 68 -3.540 -0.513 -9.573 1.00 22.44 C ATOM 1146 O LEU A 68 -3.514 -1.736 -9.424 1.00 53.41 O ATOM 1147 CB LEU A 68 -1.882 0.739 -11.005 1.00 31.12 C ATOM 1148 CG LEU A 68 -0.707 -0.223 -11.254 1.00 21.34 C ATOM 1149 CD1 LEU A 68 -0.452 -1.124 -10.052 1.00 3.43 C ATOM 1150 CD2 LEU A 68 -0.955 -1.054 -12.505 1.00 24.30 C ATOM 0 H LEU A 68 -3.886 2.022 -11.603 1.00 62.41 H new ATOM 0 HA LEU A 68 -3.376 -0.667 -11.693 1.00 24.10 H new ATOM 0 HB2 LEU A 68 -1.876 1.492 -11.793 1.00 31.12 H new ATOM 0 HB3 LEU A 68 -1.700 1.260 -10.065 1.00 31.12 H new ATOM 0 HG LEU A 68 0.188 0.381 -11.406 1.00 21.34 H new ATOM 0 HD11 LEU A 68 0.385 -1.789 -10.267 1.00 3.43 H new ATOM 0 HD12 LEU A 68 -0.215 -0.512 -9.182 1.00 3.43 H new ATOM 0 HD13 LEU A 68 -1.343 -1.717 -9.846 1.00 3.43 H new ATOM 0 HD21 LEU A 68 -0.114 -1.729 -12.666 1.00 24.30 H new ATOM 0 HD22 LEU A 68 -1.868 -1.636 -12.380 1.00 24.30 H new ATOM 0 HD23 LEU A 68 -1.060 -0.393 -13.366 1.00 24.30 H new ATOM 1162 N THR A 69 -3.802 0.326 -8.587 1.00 15.13 N ATOM 1163 CA THR A 69 -4.036 -0.138 -7.234 1.00 44.23 C ATOM 1164 C THR A 69 -5.498 -0.538 -7.011 1.00 72.15 C ATOM 1165 O THR A 69 -5.800 -1.682 -6.666 1.00 31.03 O ATOM 1166 CB THR A 69 -3.647 0.956 -6.227 1.00 51.10 C ATOM 1167 OG1 THR A 69 -4.216 2.211 -6.630 1.00 71.42 O ATOM 1168 CG2 THR A 69 -2.137 1.087 -6.126 1.00 42.04 C ATOM 0 H THR A 69 -3.858 1.338 -8.701 1.00 15.13 H new ATOM 0 HA THR A 69 -3.417 -1.022 -7.082 1.00 44.23 H new ATOM 0 HB THR A 69 -4.035 0.676 -5.248 1.00 51.10 H new ATOM 0 HG1 THR A 69 -4.105 2.867 -5.910 1.00 71.42 H new ATOM 0 HG21 THR A 69 -1.887 1.867 -5.407 1.00 42.04 H new ATOM 0 HG22 THR A 69 -1.711 0.140 -5.796 1.00 42.04 H new ATOM 0 HG23 THR A 69 -1.728 1.348 -7.102 1.00 42.04 H new ATOM 1176 N ARG A 70 -6.398 0.409 -7.235 1.00 4.11 N ATOM 1177 CA ARG A 70 -7.814 0.242 -6.916 1.00 3.51 C ATOM 1178 C ARG A 70 -8.469 -0.892 -7.717 1.00 74.03 C ATOM 1179 O ARG A 70 -9.449 -1.488 -7.268 1.00 44.44 O ATOM 1180 CB ARG A 70 -8.542 1.560 -7.168 1.00 2.32 C ATOM 1181 CG ARG A 70 -10.029 1.526 -6.861 1.00 0.03 C ATOM 1182 CD ARG A 70 -10.707 2.801 -7.329 1.00 20.53 C ATOM 1183 NE ARG A 70 -10.384 3.097 -8.725 1.00 14.33 N ATOM 1184 CZ ARG A 70 -11.140 2.733 -9.759 1.00 50.43 C ATOM 1185 NH1 ARG A 70 -12.278 2.075 -9.559 1.00 62.42 N ATOM 1186 NH2 ARG A 70 -10.759 3.035 -10.993 1.00 12.01 N ATOM 0 H ARG A 70 -6.170 1.316 -7.643 1.00 4.11 H new ATOM 0 HA ARG A 70 -7.890 -0.036 -5.865 1.00 3.51 H new ATOM 0 HB2 ARG A 70 -8.077 2.339 -6.564 1.00 2.32 H new ATOM 0 HB3 ARG A 70 -8.406 1.842 -8.212 1.00 2.32 H new ATOM 0 HG2 ARG A 70 -10.486 0.666 -7.350 1.00 0.03 H new ATOM 0 HG3 ARG A 70 -10.180 1.401 -5.789 1.00 0.03 H new ATOM 0 HD2 ARG A 70 -11.787 2.703 -7.217 1.00 20.53 H new ATOM 0 HD3 ARG A 70 -10.395 3.633 -6.698 1.00 20.53 H new ATOM 0 HE ARG A 70 -9.526 3.614 -8.918 1.00 14.33 H new ATOM 0 HH11 ARG A 70 -12.575 1.847 -8.610 1.00 62.42 H new ATOM 0 HH12 ARG A 70 -12.854 1.798 -10.354 1.00 62.42 H new ATOM 0 HH21 ARG A 70 -9.889 3.545 -11.148 1.00 12.01 H new ATOM 0 HH22 ARG A 70 -11.336 2.758 -11.787 1.00 12.01 H new ATOM 1200 N GLU A 71 -7.935 -1.184 -8.893 1.00 24.12 N ATOM 1201 CA GLU A 71 -8.485 -2.237 -9.741 1.00 2.11 C ATOM 1202 C GLU A 71 -8.126 -3.611 -9.179 1.00 71.33 C ATOM 1203 O GLU A 71 -8.934 -4.538 -9.205 1.00 15.30 O ATOM 1204 CB GLU A 71 -7.939 -2.111 -11.169 1.00 30.33 C ATOM 1205 CG GLU A 71 -8.970 -2.338 -12.262 1.00 43.13 C ATOM 1206 CD GLU A 71 -9.930 -1.174 -12.416 1.00 52.33 C ATOM 1207 OE1 GLU A 71 -9.582 -0.193 -13.111 1.00 33.23 O ATOM 1208 OE2 GLU A 71 -11.045 -1.238 -11.859 1.00 1.01 O ATOM 0 H GLU A 71 -7.122 -0.708 -9.284 1.00 24.12 H new ATOM 0 HA GLU A 71 -9.569 -2.129 -9.761 1.00 2.11 H new ATOM 0 HB2 GLU A 71 -7.509 -1.117 -11.293 1.00 30.33 H new ATOM 0 HB3 GLU A 71 -7.128 -2.827 -11.298 1.00 30.33 H new ATOM 0 HG2 GLU A 71 -8.457 -2.508 -13.209 1.00 43.13 H new ATOM 0 HG3 GLU A 71 -9.536 -3.243 -12.039 1.00 43.13 H new ATOM 1215 N SER A 72 -6.917 -3.726 -8.646 1.00 42.23 N ATOM 1216 CA SER A 72 -6.385 -5.014 -8.232 1.00 10.40 C ATOM 1217 C SER A 72 -6.686 -5.323 -6.762 1.00 21.23 C ATOM 1218 O SER A 72 -7.114 -6.431 -6.436 1.00 21.21 O ATOM 1219 CB SER A 72 -4.876 -5.058 -8.487 1.00 53.01 C ATOM 1220 OG SER A 72 -4.225 -3.946 -7.892 1.00 61.30 O ATOM 0 H SER A 72 -6.286 -2.940 -8.491 1.00 42.23 H new ATOM 0 HA SER A 72 -6.880 -5.781 -8.827 1.00 10.40 H new ATOM 0 HB2 SER A 72 -4.463 -5.983 -8.085 1.00 53.01 H new ATOM 0 HB3 SER A 72 -4.685 -5.064 -9.560 1.00 53.01 H new ATOM 0 HG SER A 72 -4.036 -3.272 -8.578 1.00 61.30 H new ATOM 1226 N PHE A 73 -6.472 -4.342 -5.882 1.00 4.00 N ATOM 1227 CA PHE A 73 -6.634 -4.550 -4.440 1.00 74.43 C ATOM 1228 C PHE A 73 -8.041 -5.026 -4.076 1.00 12.53 C ATOM 1229 O PHE A 73 -8.209 -5.860 -3.189 1.00 14.33 O ATOM 1230 CB PHE A 73 -6.284 -3.279 -3.659 1.00 12.52 C ATOM 1231 CG PHE A 73 -4.804 -3.088 -3.469 1.00 2.54 C ATOM 1232 CD1 PHE A 73 -4.097 -3.899 -2.597 1.00 43.43 C ATOM 1233 CD2 PHE A 73 -4.120 -2.105 -4.164 1.00 72.11 C ATOM 1234 CE1 PHE A 73 -2.737 -3.731 -2.421 1.00 50.41 C ATOM 1235 CE2 PHE A 73 -2.761 -1.933 -3.991 1.00 72.35 C ATOM 1236 CZ PHE A 73 -2.069 -2.747 -3.118 1.00 62.22 C ATOM 0 H PHE A 73 -6.187 -3.398 -6.141 1.00 4.00 H new ATOM 0 HA PHE A 73 -5.938 -5.340 -4.158 1.00 74.43 H new ATOM 0 HB2 PHE A 73 -6.691 -2.415 -4.184 1.00 12.52 H new ATOM 0 HB3 PHE A 73 -6.767 -3.316 -2.683 1.00 12.52 H new ATOM 0 HD1 PHE A 73 -4.615 -4.672 -2.048 1.00 43.43 H new ATOM 0 HD2 PHE A 73 -4.656 -1.465 -4.850 1.00 72.11 H new ATOM 0 HE1 PHE A 73 -2.198 -4.370 -1.738 1.00 50.41 H new ATOM 0 HE2 PHE A 73 -2.240 -1.162 -4.539 1.00 72.35 H new ATOM 0 HZ PHE A 73 -1.006 -2.614 -2.981 1.00 62.22 H new ATOM 1246 N ARG A 74 -9.048 -4.522 -4.775 1.00 51.04 N ATOM 1247 CA ARG A 74 -10.428 -4.880 -4.462 1.00 53.42 C ATOM 1248 C ARG A 74 -10.805 -6.222 -5.096 1.00 73.41 C ATOM 1249 O ARG A 74 -11.704 -6.914 -4.619 1.00 23.21 O ATOM 1250 CB ARG A 74 -11.390 -3.786 -4.939 1.00 73.43 C ATOM 1251 CG ARG A 74 -11.682 -3.830 -6.429 1.00 60.11 C ATOM 1252 CD ARG A 74 -12.582 -2.686 -6.855 1.00 3.33 C ATOM 1253 NE ARG A 74 -13.219 -2.956 -8.140 1.00 71.03 N ATOM 1254 CZ ARG A 74 -12.829 -2.425 -9.297 1.00 4.15 C ATOM 1255 NH1 ARG A 74 -11.780 -1.615 -9.342 1.00 11.35 N ATOM 1256 NH2 ARG A 74 -13.478 -2.722 -10.417 1.00 44.30 N ATOM 0 H ARG A 74 -8.940 -3.872 -5.554 1.00 51.04 H new ATOM 0 HA ARG A 74 -10.511 -4.975 -3.379 1.00 53.42 H new ATOM 0 HB2 ARG A 74 -12.328 -3.877 -4.392 1.00 73.43 H new ATOM 0 HB3 ARG A 74 -10.969 -2.812 -4.690 1.00 73.43 H new ATOM 0 HG2 ARG A 74 -10.746 -3.784 -6.985 1.00 60.11 H new ATOM 0 HG3 ARG A 74 -12.156 -4.779 -6.680 1.00 60.11 H new ATOM 0 HD2 ARG A 74 -13.347 -2.522 -6.096 1.00 3.33 H new ATOM 0 HD3 ARG A 74 -11.998 -1.768 -6.923 1.00 3.33 H new ATOM 0 HE ARG A 74 -14.015 -3.593 -8.153 1.00 71.03 H new ATOM 0 HH11 ARG A 74 -11.268 -1.396 -8.488 1.00 11.35 H new ATOM 0 HH12 ARG A 74 -11.485 -1.211 -10.231 1.00 11.35 H new ATOM 0 HH21 ARG A 74 -14.276 -3.357 -10.391 1.00 44.30 H new ATOM 0 HH22 ARG A 74 -13.179 -2.315 -11.303 1.00 44.30 H new ATOM 1270 N LEU A 75 -10.094 -6.599 -6.152 1.00 74.12 N ATOM 1271 CA LEU A 75 -10.439 -7.788 -6.926 1.00 12.35 C ATOM 1272 C LEU A 75 -9.683 -9.012 -6.409 1.00 3.30 C ATOM 1273 O LEU A 75 -9.782 -10.103 -6.961 1.00 54.41 O ATOM 1274 CB LEU A 75 -10.125 -7.551 -8.409 1.00 41.14 C ATOM 1275 CG LEU A 75 -10.658 -8.609 -9.381 1.00 31.22 C ATOM 1276 CD1 LEU A 75 -12.179 -8.647 -9.348 1.00 11.21 C ATOM 1277 CD2 LEU A 75 -10.153 -8.338 -10.791 1.00 30.13 C ATOM 0 H LEU A 75 -9.273 -6.098 -6.493 1.00 74.12 H new ATOM 0 HA LEU A 75 -11.506 -7.980 -6.814 1.00 12.35 H new ATOM 0 HB2 LEU A 75 -10.533 -6.582 -8.697 1.00 41.14 H new ATOM 0 HB3 LEU A 75 -9.043 -7.489 -8.526 1.00 41.14 H new ATOM 0 HG LEU A 75 -10.288 -9.585 -9.068 1.00 31.22 H new ATOM 0 HD11 LEU A 75 -12.539 -9.404 -10.045 1.00 11.21 H new ATOM 0 HD12 LEU A 75 -12.515 -8.892 -8.340 1.00 11.21 H new ATOM 0 HD13 LEU A 75 -12.574 -7.672 -9.635 1.00 11.21 H new ATOM 0 HD21 LEU A 75 -10.541 -9.099 -11.469 1.00 30.13 H new ATOM 0 HD22 LEU A 75 -10.493 -7.355 -11.116 1.00 30.13 H new ATOM 0 HD23 LEU A 75 -9.063 -8.366 -10.799 1.00 30.13 H new ATOM 1289 N ARG A 76 -8.941 -8.822 -5.331 1.00 35.33 N ATOM 1290 CA ARG A 76 -8.149 -9.895 -4.744 1.00 24.54 C ATOM 1291 C ARG A 76 -8.484 -10.040 -3.268 1.00 21.14 C ATOM 1292 O ARG A 76 -7.683 -10.535 -2.482 1.00 34.05 O ATOM 1293 CB ARG A 76 -6.658 -9.607 -4.919 1.00 55.00 C ATOM 1294 CG ARG A 76 -6.177 -9.705 -6.357 1.00 60.34 C ATOM 1295 CD ARG A 76 -4.745 -9.228 -6.484 1.00 35.33 C ATOM 1296 NE ARG A 76 -4.169 -9.535 -7.791 1.00 20.23 N ATOM 1297 CZ ARG A 76 -3.107 -8.918 -8.299 1.00 11.42 C ATOM 1298 NH1 ARG A 76 -2.559 -7.895 -7.654 1.00 3.43 N ATOM 1299 NH2 ARG A 76 -2.604 -9.322 -9.458 1.00 45.11 N ATOM 0 H ARG A 76 -8.869 -7.930 -4.841 1.00 35.33 H new ATOM 0 HA ARG A 76 -8.387 -10.828 -5.254 1.00 24.54 H new ATOM 0 HB2 ARG A 76 -6.444 -8.607 -4.542 1.00 55.00 H new ATOM 0 HB3 ARG A 76 -6.088 -10.307 -4.307 1.00 55.00 H new ATOM 0 HG2 ARG A 76 -6.252 -10.737 -6.700 1.00 60.34 H new ATOM 0 HG3 ARG A 76 -6.822 -9.107 -7.001 1.00 60.34 H new ATOM 0 HD2 ARG A 76 -4.708 -8.151 -6.317 1.00 35.33 H new ATOM 0 HD3 ARG A 76 -4.140 -9.692 -5.705 1.00 35.33 H new ATOM 0 HE ARG A 76 -4.609 -10.268 -8.348 1.00 20.23 H new ATOM 0 HH11 ARG A 76 -2.953 -7.581 -6.767 1.00 3.43 H new ATOM 0 HH12 ARG A 76 -1.744 -7.423 -8.045 1.00 3.43 H new ATOM 0 HH21 ARG A 76 -3.032 -10.103 -9.955 1.00 45.11 H new ATOM 0 HH22 ARG A 76 -1.789 -8.852 -9.852 1.00 45.11 H new ATOM 1313 N GLN A 77 -9.699 -9.644 -2.921 1.00 43.43 N ATOM 1314 CA GLN A 77 -10.142 -9.568 -1.532 1.00 4.01 C ATOM 1315 C GLN A 77 -10.077 -10.913 -0.799 1.00 14.34 C ATOM 1316 O GLN A 77 -9.930 -10.943 0.422 1.00 61.24 O ATOM 1317 CB GLN A 77 -11.564 -9.007 -1.483 1.00 1.11 C ATOM 1318 CG GLN A 77 -12.521 -9.691 -2.445 1.00 71.24 C ATOM 1319 CD GLN A 77 -13.860 -8.990 -2.537 1.00 4.10 C ATOM 1320 OE1 GLN A 77 -14.796 -9.310 -1.803 1.00 54.55 O ATOM 1321 NE2 GLN A 77 -13.958 -8.016 -3.428 1.00 43.51 N ATOM 0 H GLN A 77 -10.411 -9.364 -3.596 1.00 43.43 H new ATOM 0 HA GLN A 77 -9.453 -8.904 -1.011 1.00 4.01 H new ATOM 0 HB2 GLN A 77 -11.950 -9.106 -0.468 1.00 1.11 H new ATOM 0 HB3 GLN A 77 -11.533 -7.941 -1.710 1.00 1.11 H new ATOM 0 HG2 GLN A 77 -12.067 -9.730 -3.435 1.00 71.24 H new ATOM 0 HG3 GLN A 77 -12.676 -10.721 -2.125 1.00 71.24 H new ATOM 0 HE21 GLN A 77 -13.159 -7.782 -4.017 1.00 43.51 H new ATOM 0 HE22 GLN A 77 -14.832 -7.500 -3.525 1.00 43.51 H new ATOM 1330 N HIS A 78 -10.175 -12.024 -1.525 1.00 21.32 N ATOM 1331 CA HIS A 78 -10.165 -13.336 -0.877 1.00 72.30 C ATOM 1332 C HIS A 78 -8.741 -13.890 -0.787 1.00 41.34 C ATOM 1333 O HIS A 78 -8.515 -14.990 -0.284 1.00 63.53 O ATOM 1334 CB HIS A 78 -11.087 -14.315 -1.614 1.00 4.33 C ATOM 1335 CG HIS A 78 -11.387 -15.561 -0.829 1.00 0.51 C ATOM 1336 ND1 HIS A 78 -12.245 -15.581 0.250 1.00 12.24 N ATOM 1337 CD2 HIS A 78 -10.926 -16.827 -0.960 1.00 73.13 C ATOM 1338 CE1 HIS A 78 -12.293 -16.802 0.751 1.00 75.13 C ATOM 1339 NE2 HIS A 78 -11.504 -17.578 0.034 1.00 22.03 N ATOM 0 H HIS A 78 -10.261 -12.046 -2.541 1.00 21.32 H new ATOM 0 HA HIS A 78 -10.543 -13.214 0.138 1.00 72.30 H new ATOM 0 HB2 HIS A 78 -12.023 -13.811 -1.852 1.00 4.33 H new ATOM 0 HB3 HIS A 78 -10.625 -14.594 -2.561 1.00 4.33 H new ATOM 0 HD2 HIS A 78 -10.232 -17.181 -1.708 1.00 73.13 H new ATOM 0 HE1 HIS A 78 -12.879 -17.112 1.603 1.00 75.13 H new ATOM 0 HE2 HIS A 78 -11.348 -18.574 0.192 1.00 22.03 H new ATOM 1348 N GLU A 79 -7.781 -13.119 -1.269 1.00 71.44 N ATOM 1349 CA GLU A 79 -6.381 -13.494 -1.174 1.00 2.34 C ATOM 1350 C GLU A 79 -5.593 -12.296 -0.657 1.00 35.42 C ATOM 1351 O GLU A 79 -4.401 -12.130 -0.929 1.00 44.20 O ATOM 1352 CB GLU A 79 -5.858 -13.944 -2.542 1.00 43.11 C ATOM 1353 CG GLU A 79 -4.528 -14.683 -2.480 1.00 12.21 C ATOM 1354 CD GLU A 79 -4.630 -16.012 -1.758 1.00 4.22 C ATOM 1355 OE1 GLU A 79 -4.458 -16.040 -0.523 1.00 15.34 O ATOM 1356 OE2 GLU A 79 -4.881 -17.035 -2.429 1.00 70.33 O ATOM 0 H GLU A 79 -7.947 -12.225 -1.732 1.00 71.44 H new ATOM 0 HA GLU A 79 -6.263 -14.330 -0.484 1.00 2.34 H new ATOM 0 HB2 GLU A 79 -6.601 -14.591 -3.009 1.00 43.11 H new ATOM 0 HB3 GLU A 79 -5.747 -13.070 -3.184 1.00 43.11 H new ATOM 0 HG2 GLU A 79 -4.163 -14.852 -3.493 1.00 12.21 H new ATOM 0 HG3 GLU A 79 -3.792 -14.056 -1.977 1.00 12.21 H new ATOM 1363 N LEU A 80 -6.283 -11.465 0.102 1.00 22.22 N ATOM 1364 CA LEU A 80 -5.711 -10.239 0.620 1.00 22.20 C ATOM 1365 C LEU A 80 -6.098 -10.063 2.079 1.00 65.14 C ATOM 1366 O LEU A 80 -7.283 -10.104 2.417 1.00 52.52 O ATOM 1367 CB LEU A 80 -6.209 -9.039 -0.194 1.00 53.42 C ATOM 1368 CG LEU A 80 -5.623 -7.684 0.203 1.00 12.32 C ATOM 1369 CD1 LEU A 80 -4.153 -7.608 -0.170 1.00 4.11 C ATOM 1370 CD2 LEU A 80 -6.398 -6.554 -0.453 1.00 61.34 C ATOM 0 H LEU A 80 -7.253 -11.621 0.375 1.00 22.22 H new ATOM 0 HA LEU A 80 -4.625 -10.297 0.540 1.00 22.20 H new ATOM 0 HB2 LEU A 80 -5.985 -9.218 -1.246 1.00 53.42 H new ATOM 0 HB3 LEU A 80 -7.294 -8.986 -0.104 1.00 53.42 H new ATOM 0 HG LEU A 80 -5.709 -7.577 1.284 1.00 12.32 H new ATOM 0 HD11 LEU A 80 -3.754 -6.636 0.120 1.00 4.11 H new ATOM 0 HD12 LEU A 80 -3.605 -8.395 0.348 1.00 4.11 H new ATOM 0 HD13 LEU A 80 -4.044 -7.738 -1.247 1.00 4.11 H new ATOM 0 HD21 LEU A 80 -5.966 -5.598 -0.158 1.00 61.34 H new ATOM 0 HD22 LEU A 80 -6.345 -6.658 -1.537 1.00 61.34 H new ATOM 0 HD23 LEU A 80 -7.440 -6.595 -0.135 1.00 61.34 H new ATOM 1382 N PRO A 81 -5.107 -9.897 2.967 1.00 61.22 N ATOM 1383 CA PRO A 81 -5.366 -9.575 4.368 1.00 3.15 C ATOM 1384 C PRO A 81 -6.203 -8.308 4.484 1.00 61.14 C ATOM 1385 O PRO A 81 -5.811 -7.255 3.975 1.00 72.45 O ATOM 1386 CB PRO A 81 -3.969 -9.352 4.955 1.00 13.34 C ATOM 1387 CG PRO A 81 -3.049 -10.086 4.044 1.00 34.30 C ATOM 1388 CD PRO A 81 -3.670 -10.022 2.678 1.00 61.31 C ATOM 0 HA PRO A 81 -5.923 -10.357 4.884 1.00 3.15 H new ATOM 0 HB2 PRO A 81 -3.722 -8.291 4.995 1.00 13.34 H new ATOM 0 HB3 PRO A 81 -3.903 -9.733 5.974 1.00 13.34 H new ATOM 0 HG2 PRO A 81 -2.058 -9.631 4.043 1.00 34.30 H new ATOM 0 HG3 PRO A 81 -2.925 -11.120 4.367 1.00 34.30 H new ATOM 0 HD2 PRO A 81 -3.299 -9.171 2.107 1.00 61.31 H new ATOM 0 HD3 PRO A 81 -3.453 -10.917 2.095 1.00 61.31 H new ATOM 1396 N ALA A 82 -7.365 -8.421 5.117 1.00 15.04 N ATOM 1397 CA ALA A 82 -8.276 -7.293 5.254 1.00 35.12 C ATOM 1398 C ALA A 82 -7.701 -6.226 6.179 1.00 12.52 C ATOM 1399 O ALA A 82 -7.979 -6.206 7.378 1.00 72.22 O ATOM 1400 CB ALA A 82 -9.635 -7.759 5.756 1.00 64.12 C ATOM 0 H ALA A 82 -7.698 -9.285 5.544 1.00 15.04 H new ATOM 0 HA ALA A 82 -8.404 -6.847 4.268 1.00 35.12 H new ATOM 0 HB1 ALA A 82 -10.301 -6.902 5.852 1.00 64.12 H new ATOM 0 HB2 ALA A 82 -10.060 -8.471 5.048 1.00 64.12 H new ATOM 0 HB3 ALA A 82 -9.519 -8.239 6.728 1.00 64.12 H new ATOM 1406 N MET A 83 -6.865 -5.371 5.609 1.00 74.43 N ATOM 1407 CA MET A 83 -6.262 -4.258 6.323 1.00 24.21 C ATOM 1408 C MET A 83 -6.224 -3.052 5.400 1.00 24.51 C ATOM 1409 O MET A 83 -6.152 -3.208 4.178 1.00 54.21 O ATOM 1410 CB MET A 83 -4.830 -4.598 6.769 1.00 25.13 C ATOM 1411 CG MET A 83 -4.711 -5.777 7.732 1.00 41.22 C ATOM 1412 SD MET A 83 -4.770 -5.304 9.477 1.00 55.15 S ATOM 1413 CE MET A 83 -6.450 -4.708 9.631 1.00 51.13 C ATOM 0 H MET A 83 -6.585 -5.432 4.630 1.00 74.43 H new ATOM 0 HA MET A 83 -6.857 -4.046 7.212 1.00 24.21 H new ATOM 0 HB2 MET A 83 -4.232 -4.811 5.883 1.00 25.13 H new ATOM 0 HB3 MET A 83 -4.395 -3.718 7.243 1.00 25.13 H new ATOM 0 HG2 MET A 83 -5.517 -6.482 7.529 1.00 41.22 H new ATOM 0 HG3 MET A 83 -3.774 -6.299 7.538 1.00 41.22 H new ATOM 0 HE1 MET A 83 -6.685 -4.550 10.684 1.00 51.13 H new ATOM 0 HE2 MET A 83 -6.553 -3.767 9.091 1.00 51.13 H new ATOM 0 HE3 MET A 83 -7.137 -5.444 9.212 1.00 51.13 H new ATOM 1423 N ASP A 84 -6.288 -1.864 5.967 1.00 53.53 N ATOM 1424 CA ASP A 84 -6.204 -0.642 5.184 1.00 42.02 C ATOM 1425 C ASP A 84 -4.764 -0.147 5.128 1.00 51.24 C ATOM 1426 O ASP A 84 -4.061 -0.128 6.139 1.00 13.40 O ATOM 1427 CB ASP A 84 -7.147 0.432 5.747 1.00 74.42 C ATOM 1428 CG ASP A 84 -7.035 0.612 7.249 1.00 3.45 C ATOM 1429 OD1 ASP A 84 -7.272 -0.371 7.995 1.00 32.23 O ATOM 1430 OD2 ASP A 84 -6.729 1.737 7.690 1.00 23.21 O ATOM 0 H ASP A 84 -6.398 -1.716 6.970 1.00 53.53 H new ATOM 0 HA ASP A 84 -6.525 -0.857 4.165 1.00 42.02 H new ATOM 0 HB2 ASP A 84 -6.934 1.383 5.259 1.00 74.42 H new ATOM 0 HB3 ASP A 84 -8.175 0.169 5.497 1.00 74.42 H new ATOM 1435 N PHE A 85 -4.322 0.223 3.929 1.00 14.14 N ATOM 1436 CA PHE A 85 -2.929 0.598 3.703 1.00 41.31 C ATOM 1437 C PHE A 85 -2.835 1.963 3.034 1.00 14.41 C ATOM 1438 O PHE A 85 -3.816 2.458 2.469 1.00 51.22 O ATOM 1439 CB PHE A 85 -2.234 -0.425 2.800 1.00 54.53 C ATOM 1440 CG PHE A 85 -2.458 -1.864 3.182 1.00 1.32 C ATOM 1441 CD1 PHE A 85 -1.857 -2.405 4.307 1.00 55.44 C ATOM 1442 CD2 PHE A 85 -3.263 -2.679 2.399 1.00 40.41 C ATOM 1443 CE1 PHE A 85 -2.056 -3.730 4.645 1.00 61.01 C ATOM 1444 CE2 PHE A 85 -3.465 -4.003 2.734 1.00 33.34 C ATOM 1445 CZ PHE A 85 -2.861 -4.530 3.858 1.00 51.23 C ATOM 0 H PHE A 85 -4.910 0.271 3.097 1.00 14.14 H new ATOM 0 HA PHE A 85 -2.441 0.630 4.677 1.00 41.31 H new ATOM 0 HB2 PHE A 85 -2.579 -0.278 1.777 1.00 54.53 H new ATOM 0 HB3 PHE A 85 -1.163 -0.225 2.807 1.00 54.53 H new ATOM 0 HD1 PHE A 85 -1.226 -1.785 4.926 1.00 55.44 H new ATOM 0 HD2 PHE A 85 -3.737 -2.273 1.518 1.00 40.41 H new ATOM 0 HE1 PHE A 85 -1.582 -4.140 5.525 1.00 61.01 H new ATOM 0 HE2 PHE A 85 -4.095 -4.626 2.117 1.00 33.34 H new ATOM 0 HZ PHE A 85 -3.018 -5.566 4.121 1.00 51.23 H new ATOM 1455 N VAL A 86 -1.650 2.554 3.076 1.00 72.01 N ATOM 1456 CA VAL A 86 -1.389 3.790 2.361 1.00 0.32 C ATOM 1457 C VAL A 86 -0.355 3.537 1.260 1.00 54.24 C ATOM 1458 O VAL A 86 0.804 3.215 1.526 1.00 64.24 O ATOM 1459 CB VAL A 86 -0.931 4.928 3.309 1.00 52.53 C ATOM 1460 CG1 VAL A 86 0.277 4.517 4.134 1.00 64.42 C ATOM 1461 CG2 VAL A 86 -0.637 6.199 2.527 1.00 22.23 C ATOM 0 H VAL A 86 -0.853 2.194 3.600 1.00 72.01 H new ATOM 0 HA VAL A 86 -2.322 4.123 1.907 1.00 0.32 H new ATOM 0 HB VAL A 86 -1.751 5.128 3.999 1.00 52.53 H new ATOM 0 HG11 VAL A 86 0.569 5.340 4.786 1.00 64.42 H new ATOM 0 HG12 VAL A 86 0.025 3.646 4.739 1.00 64.42 H new ATOM 0 HG13 VAL A 86 1.105 4.270 3.469 1.00 64.42 H new ATOM 0 HG21 VAL A 86 -0.318 6.983 3.214 1.00 22.23 H new ATOM 0 HG22 VAL A 86 0.155 6.006 1.803 1.00 22.23 H new ATOM 0 HG23 VAL A 86 -1.537 6.520 2.003 1.00 22.23 H new ATOM 1471 N VAL A 87 -0.797 3.644 0.018 1.00 63.43 N ATOM 1472 CA VAL A 87 0.049 3.327 -1.124 1.00 23.20 C ATOM 1473 C VAL A 87 0.681 4.587 -1.695 1.00 42.45 C ATOM 1474 O VAL A 87 -0.010 5.442 -2.247 1.00 2.40 O ATOM 1475 CB VAL A 87 -0.747 2.619 -2.240 1.00 75.11 C ATOM 1476 CG1 VAL A 87 0.176 2.191 -3.374 1.00 14.20 C ATOM 1477 CG2 VAL A 87 -1.509 1.426 -1.683 1.00 10.44 C ATOM 0 H VAL A 87 -1.739 3.949 -0.227 1.00 63.43 H new ATOM 0 HA VAL A 87 0.828 2.655 -0.764 1.00 23.20 H new ATOM 0 HB VAL A 87 -1.472 3.327 -2.643 1.00 75.11 H new ATOM 0 HG11 VAL A 87 -0.407 1.694 -4.150 1.00 14.20 H new ATOM 0 HG12 VAL A 87 0.666 3.069 -3.795 1.00 14.20 H new ATOM 0 HG13 VAL A 87 0.930 1.504 -2.990 1.00 14.20 H new ATOM 0 HG21 VAL A 87 -2.063 0.941 -2.486 1.00 10.44 H new ATOM 0 HG22 VAL A 87 -0.806 0.716 -1.248 1.00 10.44 H new ATOM 0 HG23 VAL A 87 -2.205 1.765 -0.915 1.00 10.44 H new ATOM 1487 N VAL A 88 1.991 4.696 -1.563 1.00 74.23 N ATOM 1488 CA VAL A 88 2.712 5.851 -2.069 1.00 44.10 C ATOM 1489 C VAL A 88 3.378 5.519 -3.398 1.00 72.45 C ATOM 1490 O VAL A 88 4.398 4.827 -3.442 1.00 25.43 O ATOM 1491 CB VAL A 88 3.782 6.344 -1.070 1.00 34.44 C ATOM 1492 CG1 VAL A 88 4.435 7.626 -1.567 1.00 32.32 C ATOM 1493 CG2 VAL A 88 3.172 6.556 0.309 1.00 0.41 C ATOM 0 H VAL A 88 2.579 3.997 -1.109 1.00 74.23 H new ATOM 0 HA VAL A 88 1.983 6.649 -2.210 1.00 44.10 H new ATOM 0 HB VAL A 88 4.552 5.576 -0.992 1.00 34.44 H new ATOM 0 HG11 VAL A 88 5.185 7.955 -0.848 1.00 32.32 H new ATOM 0 HG12 VAL A 88 4.912 7.442 -2.530 1.00 32.32 H new ATOM 0 HG13 VAL A 88 3.676 8.401 -1.680 1.00 32.32 H new ATOM 0 HG21 VAL A 88 3.942 6.903 0.998 1.00 0.41 H new ATOM 0 HG22 VAL A 88 2.379 7.301 0.245 1.00 0.41 H new ATOM 0 HG23 VAL A 88 2.758 5.615 0.672 1.00 0.41 H new ATOM 1503 N ALA A 89 2.782 5.994 -4.482 1.00 24.25 N ATOM 1504 CA ALA A 89 3.336 5.785 -5.809 1.00 33.23 C ATOM 1505 C ALA A 89 4.501 6.731 -6.034 1.00 73.41 C ATOM 1506 O ALA A 89 4.361 7.941 -5.875 1.00 1.31 O ATOM 1507 CB ALA A 89 2.269 5.987 -6.872 1.00 42.22 C ATOM 0 H ALA A 89 1.913 6.528 -4.467 1.00 24.25 H new ATOM 0 HA ALA A 89 3.696 4.759 -5.884 1.00 33.23 H new ATOM 0 HB1 ALA A 89 2.703 5.826 -7.859 1.00 42.22 H new ATOM 0 HB2 ALA A 89 1.458 5.277 -6.713 1.00 42.22 H new ATOM 0 HB3 ALA A 89 1.880 7.003 -6.808 1.00 42.22 H new ATOM 1513 N LYS A 90 5.646 6.181 -6.391 1.00 43.51 N ATOM 1514 CA LYS A 90 6.856 6.969 -6.543 1.00 22.04 C ATOM 1515 C LYS A 90 7.115 7.273 -8.010 1.00 52.34 C ATOM 1516 O LYS A 90 6.467 6.709 -8.896 1.00 65.00 O ATOM 1517 CB LYS A 90 8.052 6.223 -5.944 1.00 20.53 C ATOM 1518 CG LYS A 90 7.861 5.826 -4.488 1.00 34.52 C ATOM 1519 CD LYS A 90 7.597 7.032 -3.598 1.00 62.51 C ATOM 1520 CE LYS A 90 8.803 7.955 -3.516 1.00 21.20 C ATOM 1521 NZ LYS A 90 9.994 7.270 -2.946 1.00 55.31 N ATOM 0 H LYS A 90 5.764 5.186 -6.582 1.00 43.51 H new ATOM 0 HA LYS A 90 6.722 7.911 -6.011 1.00 22.04 H new ATOM 0 HB2 LYS A 90 8.241 5.326 -6.534 1.00 20.53 H new ATOM 0 HB3 LYS A 90 8.939 6.852 -6.026 1.00 20.53 H new ATOM 0 HG2 LYS A 90 7.028 5.128 -4.409 1.00 34.52 H new ATOM 0 HG3 LYS A 90 8.750 5.303 -4.135 1.00 34.52 H new ATOM 0 HD2 LYS A 90 6.742 7.587 -3.984 1.00 62.51 H new ATOM 0 HD3 LYS A 90 7.332 6.692 -2.597 1.00 62.51 H new ATOM 0 HE2 LYS A 90 9.042 8.328 -4.512 1.00 21.20 H new ATOM 0 HE3 LYS A 90 8.555 8.821 -2.902 1.00 21.20 H new ATOM 0 HZ1 LYS A 90 10.711 7.978 -2.688 1.00 55.31 H new ATOM 0 HZ2 LYS A 90 9.715 6.735 -2.099 1.00 55.31 H new ATOM 0 HZ3 LYS A 90 10.390 6.618 -3.652 1.00 55.31 H new ATOM 1535 N LYS A 91 8.059 8.165 -8.266 1.00 74.22 N ATOM 1536 CA LYS A 91 8.434 8.485 -9.626 1.00 31.05 C ATOM 1537 C LYS A 91 9.128 7.291 -10.263 1.00 12.22 C ATOM 1538 O LYS A 91 10.236 6.912 -9.878 1.00 5.53 O ATOM 1539 CB LYS A 91 9.331 9.723 -9.670 1.00 13.44 C ATOM 1540 CG LYS A 91 9.820 10.065 -11.069 1.00 54.11 C ATOM 1541 CD LYS A 91 10.529 11.406 -11.103 1.00 73.34 C ATOM 1542 CE LYS A 91 9.555 12.557 -10.904 1.00 24.14 C ATOM 1543 NZ LYS A 91 10.253 13.866 -10.851 1.00 21.14 N ATOM 0 H LYS A 91 8.575 8.676 -7.550 1.00 74.22 H new ATOM 0 HA LYS A 91 7.531 8.712 -10.193 1.00 31.05 H new ATOM 0 HB2 LYS A 91 8.783 10.574 -9.267 1.00 13.44 H new ATOM 0 HB3 LYS A 91 10.192 9.562 -9.021 1.00 13.44 H new ATOM 0 HG2 LYS A 91 10.498 9.286 -11.418 1.00 54.11 H new ATOM 0 HG3 LYS A 91 8.974 10.083 -11.756 1.00 54.11 H new ATOM 0 HD2 LYS A 91 11.292 11.435 -10.325 1.00 73.34 H new ATOM 0 HD3 LYS A 91 11.042 11.523 -12.057 1.00 73.34 H new ATOM 0 HE2 LYS A 91 8.830 12.564 -11.718 1.00 24.14 H new ATOM 0 HE3 LYS A 91 8.996 12.405 -9.980 1.00 24.14 H new ATOM 0 HZ1 LYS A 91 9.556 14.626 -10.714 1.00 21.14 H new ATOM 0 HZ2 LYS A 91 10.927 13.868 -10.059 1.00 21.14 H new ATOM 0 HZ3 LYS A 91 10.766 14.022 -11.742 1.00 21.14 H new ATOM 1557 N GLY A 92 8.448 6.689 -11.217 1.00 34.32 N ATOM 1558 CA GLY A 92 8.951 5.498 -11.855 1.00 40.50 C ATOM 1559 C GLY A 92 7.816 4.614 -12.308 1.00 45.22 C ATOM 1560 O GLY A 92 7.820 4.117 -13.426 1.00 13.14 O ATOM 0 H GLY A 92 7.544 7.008 -11.566 1.00 34.32 H new ATOM 0 HA2 GLY A 92 9.569 5.771 -12.710 1.00 40.50 H new ATOM 0 HA3 GLY A 92 9.590 4.951 -11.162 1.00 40.50 H new ATOM 1564 N VAL A 93 6.815 4.453 -11.445 1.00 62.11 N ATOM 1565 CA VAL A 93 5.640 3.649 -11.774 1.00 60.22 C ATOM 1566 C VAL A 93 4.836 4.316 -12.896 1.00 40.44 C ATOM 1567 O VAL A 93 4.069 3.669 -13.611 1.00 20.33 O ATOM 1568 CB VAL A 93 4.743 3.427 -10.526 1.00 11.41 C ATOM 1569 CG1 VAL A 93 4.153 4.742 -10.033 1.00 21.41 C ATOM 1570 CG2 VAL A 93 3.645 2.409 -10.811 1.00 10.32 C ATOM 0 H VAL A 93 6.794 4.868 -10.514 1.00 62.11 H new ATOM 0 HA VAL A 93 5.985 2.674 -12.118 1.00 60.22 H new ATOM 0 HB VAL A 93 5.373 3.025 -9.733 1.00 11.41 H new ATOM 0 HG11 VAL A 93 3.530 4.556 -9.158 1.00 21.41 H new ATOM 0 HG12 VAL A 93 4.959 5.425 -9.765 1.00 21.41 H new ATOM 0 HG13 VAL A 93 3.547 5.188 -10.822 1.00 21.41 H new ATOM 0 HG21 VAL A 93 3.033 2.274 -9.919 1.00 10.32 H new ATOM 0 HG22 VAL A 93 3.020 2.767 -11.629 1.00 10.32 H new ATOM 0 HG23 VAL A 93 4.095 1.456 -11.089 1.00 10.32 H new ATOM 1580 N ALA A 94 5.038 5.620 -13.052 1.00 32.43 N ATOM 1581 CA ALA A 94 4.390 6.377 -14.110 1.00 1.53 C ATOM 1582 C ALA A 94 5.159 6.240 -15.421 1.00 41.54 C ATOM 1583 O ALA A 94 4.620 6.494 -16.496 1.00 24.11 O ATOM 1584 CB ALA A 94 4.268 7.840 -13.713 1.00 62.43 C ATOM 0 H ALA A 94 5.650 6.175 -12.454 1.00 32.43 H new ATOM 0 HA ALA A 94 3.389 5.973 -14.260 1.00 1.53 H new ATOM 0 HB1 ALA A 94 3.781 8.395 -14.515 1.00 62.43 H new ATOM 0 HB2 ALA A 94 3.674 7.922 -12.802 1.00 62.43 H new ATOM 0 HB3 ALA A 94 5.261 8.253 -13.537 1.00 62.43 H new ATOM 1590 N ASP A 95 6.411 5.813 -15.330 1.00 73.32 N ATOM 1591 CA ASP A 95 7.257 5.672 -16.507 1.00 53.12 C ATOM 1592 C ASP A 95 7.740 4.234 -16.641 1.00 15.12 C ATOM 1593 O ASP A 95 8.883 3.908 -16.317 1.00 21.40 O ATOM 1594 CB ASP A 95 8.445 6.638 -16.437 1.00 42.21 C ATOM 1595 CG ASP A 95 9.374 6.519 -17.632 1.00 74.31 C ATOM 1596 OD1 ASP A 95 8.884 6.521 -18.777 1.00 23.45 O ATOM 1597 OD2 ASP A 95 10.606 6.433 -17.424 1.00 35.33 O ATOM 0 H ASP A 95 6.864 5.558 -14.452 1.00 73.32 H new ATOM 0 HA ASP A 95 6.668 5.922 -17.389 1.00 53.12 H new ATOM 0 HB2 ASP A 95 8.072 7.660 -16.373 1.00 42.21 H new ATOM 0 HB3 ASP A 95 9.009 6.447 -15.524 1.00 42.21 H new ATOM 1602 N LEU A 96 6.835 3.374 -17.079 1.00 55.51 N ATOM 1603 CA LEU A 96 7.126 1.959 -17.256 1.00 65.23 C ATOM 1604 C LEU A 96 6.422 1.445 -18.497 1.00 71.55 C ATOM 1605 O LEU A 96 5.451 2.049 -18.965 1.00 41.31 O ATOM 1606 CB LEU A 96 6.666 1.147 -16.040 1.00 42.43 C ATOM 1607 CG LEU A 96 7.463 1.369 -14.750 1.00 5.43 C ATOM 1608 CD1 LEU A 96 6.836 0.593 -13.600 1.00 40.50 C ATOM 1609 CD2 LEU A 96 8.918 0.955 -14.938 1.00 13.04 C ATOM 0 H LEU A 96 5.879 3.636 -17.322 1.00 55.51 H new ATOM 0 HA LEU A 96 8.204 1.843 -17.364 1.00 65.23 H new ATOM 0 HB2 LEU A 96 5.620 1.383 -15.844 1.00 42.43 H new ATOM 0 HB3 LEU A 96 6.712 0.088 -16.295 1.00 42.43 H new ATOM 0 HG LEU A 96 7.437 2.432 -14.509 1.00 5.43 H new ATOM 0 HD11 LEU A 96 7.413 0.761 -12.691 1.00 40.50 H new ATOM 0 HD12 LEU A 96 5.812 0.933 -13.448 1.00 40.50 H new ATOM 0 HD13 LEU A 96 6.834 -0.471 -13.837 1.00 40.50 H new ATOM 0 HD21 LEU A 96 9.466 1.121 -14.011 1.00 13.04 H new ATOM 0 HD22 LEU A 96 8.964 -0.101 -15.203 1.00 13.04 H new ATOM 0 HD23 LEU A 96 9.365 1.549 -15.735 1.00 13.04 H new ATOM 1621 N ASP A 97 6.917 0.336 -19.032 1.00 42.04 N ATOM 1622 CA ASP A 97 6.285 -0.311 -20.174 1.00 62.23 C ATOM 1623 C ASP A 97 4.896 -0.805 -19.800 1.00 12.35 C ATOM 1624 O ASP A 97 4.649 -1.164 -18.649 1.00 32.55 O ATOM 1625 CB ASP A 97 7.116 -1.505 -20.666 1.00 12.05 C ATOM 1626 CG ASP A 97 8.430 -1.105 -21.299 1.00 72.01 C ATOM 1627 OD1 ASP A 97 8.430 -0.713 -22.483 1.00 51.31 O ATOM 1628 OD2 ASP A 97 9.471 -1.202 -20.623 1.00 75.20 O ATOM 0 H ASP A 97 7.756 -0.135 -18.692 1.00 42.04 H new ATOM 0 HA ASP A 97 6.216 0.429 -20.971 1.00 62.23 H new ATOM 0 HB2 ASP A 97 7.314 -2.171 -19.826 1.00 12.05 H new ATOM 0 HB3 ASP A 97 6.530 -2.071 -21.390 1.00 12.05 H new ATOM 1633 N ASN A 98 3.995 -0.835 -20.772 1.00 42.12 N ATOM 1634 CA ASN A 98 2.661 -1.390 -20.555 1.00 25.44 C ATOM 1635 C ASN A 98 2.787 -2.863 -20.174 1.00 73.33 C ATOM 1636 O ASN A 98 2.003 -3.398 -19.390 1.00 4.30 O ATOM 1637 CB ASN A 98 1.816 -1.235 -21.819 1.00 63.20 C ATOM 1638 CG ASN A 98 0.359 -1.592 -21.607 1.00 20.42 C ATOM 1639 OD1 ASN A 98 -0.044 -2.745 -21.759 1.00 70.23 O ATOM 1640 ND2 ASN A 98 -0.448 -0.596 -21.271 1.00 53.15 N ATOM 0 H ASN A 98 4.160 -0.484 -21.715 1.00 42.12 H new ATOM 0 HA ASN A 98 2.168 -0.851 -19.746 1.00 25.44 H new ATOM 0 HB2 ASN A 98 1.884 -0.206 -22.171 1.00 63.20 H new ATOM 0 HB3 ASN A 98 2.228 -1.868 -22.605 1.00 63.20 H new ATOM 0 HD21 ASN A 98 -1.443 -0.771 -21.129 1.00 53.15 H new ATOM 0 HD22 ASN A 98 -0.074 0.346 -21.155 1.00 53.15 H new ATOM 1647 N ARG A 99 3.810 -3.493 -20.735 1.00 72.54 N ATOM 1648 CA ARG A 99 4.166 -4.871 -20.422 1.00 61.01 C ATOM 1649 C ARG A 99 4.581 -4.995 -18.954 1.00 70.01 C ATOM 1650 O ARG A 99 4.275 -5.987 -18.291 1.00 24.44 O ATOM 1651 CB ARG A 99 5.317 -5.311 -21.336 1.00 12.34 C ATOM 1652 CG ARG A 99 5.824 -6.723 -21.081 1.00 33.22 C ATOM 1653 CD ARG A 99 7.078 -7.006 -21.896 1.00 23.44 C ATOM 1654 NE ARG A 99 8.163 -6.083 -21.558 1.00 10.31 N ATOM 1655 CZ ARG A 99 9.051 -5.606 -22.432 1.00 31.51 C ATOM 1656 NH1 ARG A 99 9.017 -5.990 -23.703 1.00 52.23 N ATOM 1657 NH2 ARG A 99 9.982 -4.750 -22.022 1.00 73.14 N ATOM 0 H ARG A 99 4.422 -3.059 -21.426 1.00 72.54 H new ATOM 0 HA ARG A 99 3.301 -5.514 -20.587 1.00 61.01 H new ATOM 0 HB2 ARG A 99 4.988 -5.239 -22.373 1.00 12.34 H new ATOM 0 HB3 ARG A 99 6.146 -4.614 -21.215 1.00 12.34 H new ATOM 0 HG2 ARG A 99 6.039 -6.850 -20.020 1.00 33.22 H new ATOM 0 HG3 ARG A 99 5.048 -7.444 -21.338 1.00 33.22 H new ATOM 0 HD2 ARG A 99 7.404 -8.031 -21.719 1.00 23.44 H new ATOM 0 HD3 ARG A 99 6.848 -6.924 -22.958 1.00 23.44 H new ATOM 0 HE ARG A 99 8.246 -5.784 -20.586 1.00 10.31 H new ATOM 0 HH11 ARG A 99 8.309 -6.654 -24.016 1.00 52.23 H new ATOM 0 HH12 ARG A 99 9.699 -5.621 -24.366 1.00 52.23 H new ATOM 0 HH21 ARG A 99 10.014 -4.462 -21.044 1.00 73.14 H new ATOM 0 HH22 ARG A 99 10.664 -4.382 -22.685 1.00 73.14 H new ATOM 1671 N ALA A 100 5.255 -3.968 -18.447 1.00 50.31 N ATOM 1672 CA ALA A 100 5.766 -3.978 -17.081 1.00 14.42 C ATOM 1673 C ALA A 100 4.650 -3.721 -16.076 1.00 32.21 C ATOM 1674 O ALA A 100 4.740 -4.133 -14.921 1.00 31.23 O ATOM 1675 CB ALA A 100 6.875 -2.948 -16.921 1.00 44.33 C ATOM 0 H ALA A 100 5.461 -3.114 -18.965 1.00 50.31 H new ATOM 0 HA ALA A 100 6.177 -4.968 -16.881 1.00 14.42 H new ATOM 0 HB1 ALA A 100 7.245 -2.968 -15.896 1.00 44.33 H new ATOM 0 HB2 ALA A 100 7.690 -3.182 -17.606 1.00 44.33 H new ATOM 0 HB3 ALA A 100 6.485 -1.955 -17.146 1.00 44.33 H new ATOM 1681 N LEU A 101 3.595 -3.044 -16.523 1.00 74.22 N ATOM 1682 CA LEU A 101 2.434 -2.791 -15.677 1.00 43.42 C ATOM 1683 C LEU A 101 1.814 -4.110 -15.233 1.00 63.03 C ATOM 1684 O LEU A 101 1.387 -4.254 -14.086 1.00 62.14 O ATOM 1685 CB LEU A 101 1.394 -1.950 -16.422 1.00 43.31 C ATOM 1686 CG LEU A 101 1.873 -0.566 -16.865 1.00 53.20 C ATOM 1687 CD1 LEU A 101 0.765 0.161 -17.612 1.00 32.44 C ATOM 1688 CD2 LEU A 101 2.329 0.252 -15.665 1.00 70.25 C ATOM 0 H LEU A 101 3.521 -2.661 -17.466 1.00 74.22 H new ATOM 0 HA LEU A 101 2.763 -2.236 -14.799 1.00 43.42 H new ATOM 0 HB2 LEU A 101 1.066 -2.503 -17.302 1.00 43.31 H new ATOM 0 HB3 LEU A 101 0.522 -1.827 -15.780 1.00 43.31 H new ATOM 0 HG LEU A 101 2.722 -0.693 -17.537 1.00 53.20 H new ATOM 0 HD11 LEU A 101 1.119 1.144 -17.921 1.00 32.44 H new ATOM 0 HD12 LEU A 101 0.480 -0.416 -18.492 1.00 32.44 H new ATOM 0 HD13 LEU A 101 -0.100 0.276 -16.958 1.00 32.44 H new ATOM 0 HD21 LEU A 101 2.666 1.233 -16.000 1.00 70.25 H new ATOM 0 HD22 LEU A 101 1.498 0.372 -14.969 1.00 70.25 H new ATOM 0 HD23 LEU A 101 3.150 -0.262 -15.165 1.00 70.25 H new ATOM 1700 N SER A 102 1.800 -5.078 -16.142 1.00 21.21 N ATOM 1701 CA SER A 102 1.280 -6.404 -15.848 1.00 44.12 C ATOM 1702 C SER A 102 2.143 -7.090 -14.791 1.00 42.21 C ATOM 1703 O SER A 102 1.633 -7.795 -13.920 1.00 43.55 O ATOM 1704 CB SER A 102 1.233 -7.239 -17.131 1.00 32.41 C ATOM 1705 OG SER A 102 0.606 -8.491 -16.912 1.00 62.32 O ATOM 0 H SER A 102 2.146 -4.966 -17.095 1.00 21.21 H new ATOM 0 HA SER A 102 0.268 -6.310 -15.453 1.00 44.12 H new ATOM 0 HB2 SER A 102 0.694 -6.691 -17.904 1.00 32.41 H new ATOM 0 HB3 SER A 102 2.246 -7.398 -17.501 1.00 32.41 H new ATOM 0 HG SER A 102 0.590 -9.000 -17.749 1.00 62.32 H new ATOM 1711 N GLU A 103 3.452 -6.863 -14.868 1.00 4.40 N ATOM 1712 CA GLU A 103 4.390 -7.431 -13.907 1.00 34.14 C ATOM 1713 C GLU A 103 4.170 -6.831 -12.524 1.00 1.30 C ATOM 1714 O GLU A 103 4.110 -7.545 -11.527 1.00 4.52 O ATOM 1715 CB GLU A 103 5.830 -7.180 -14.355 1.00 34.13 C ATOM 1716 CG GLU A 103 6.197 -7.878 -15.653 1.00 25.44 C ATOM 1717 CD GLU A 103 6.140 -9.385 -15.533 1.00 13.11 C ATOM 1718 OE1 GLU A 103 7.107 -9.979 -15.010 1.00 12.41 O ATOM 1719 OE2 GLU A 103 5.135 -9.986 -15.966 1.00 24.52 O ATOM 0 H GLU A 103 3.887 -6.287 -15.589 1.00 4.40 H new ATOM 0 HA GLU A 103 4.215 -8.506 -13.857 1.00 34.14 H new ATOM 0 HB2 GLU A 103 5.982 -6.107 -14.474 1.00 34.13 H new ATOM 0 HB3 GLU A 103 6.509 -7.513 -13.570 1.00 34.13 H new ATOM 0 HG2 GLU A 103 5.518 -7.553 -16.442 1.00 25.44 H new ATOM 0 HG3 GLU A 103 7.201 -7.578 -15.953 1.00 25.44 H new ATOM 1726 N ALA A 104 4.029 -5.511 -12.479 1.00 3.34 N ATOM 1727 CA ALA A 104 3.848 -4.796 -11.222 1.00 13.22 C ATOM 1728 C ALA A 104 2.617 -5.286 -10.465 1.00 34.04 C ATOM 1729 O ALA A 104 2.594 -5.280 -9.232 1.00 64.24 O ATOM 1730 CB ALA A 104 3.745 -3.302 -11.478 1.00 34.33 C ATOM 0 H ALA A 104 4.037 -4.912 -13.304 1.00 3.34 H new ATOM 0 HA ALA A 104 4.721 -4.996 -10.600 1.00 13.22 H new ATOM 0 HB1 ALA A 104 3.610 -2.779 -10.531 1.00 34.33 H new ATOM 0 HB2 ALA A 104 4.658 -2.951 -11.959 1.00 34.33 H new ATOM 0 HB3 ALA A 104 2.893 -3.102 -12.128 1.00 34.33 H new ATOM 1736 N LEU A 105 1.605 -5.724 -11.211 1.00 11.44 N ATOM 1737 CA LEU A 105 0.352 -6.190 -10.627 1.00 45.31 C ATOM 1738 C LEU A 105 0.564 -7.363 -9.674 1.00 21.10 C ATOM 1739 O LEU A 105 -0.085 -7.442 -8.633 1.00 43.12 O ATOM 1740 CB LEU A 105 -0.636 -6.595 -11.723 1.00 42.14 C ATOM 1741 CG LEU A 105 -1.168 -5.442 -12.574 1.00 61.12 C ATOM 1742 CD1 LEU A 105 -2.020 -5.973 -13.716 1.00 30.10 C ATOM 1743 CD2 LEU A 105 -1.974 -4.478 -11.717 1.00 25.13 C ATOM 0 H LEU A 105 1.631 -5.765 -12.230 1.00 11.44 H new ATOM 0 HA LEU A 105 -0.058 -5.359 -10.054 1.00 45.31 H new ATOM 0 HB2 LEU A 105 -0.151 -7.317 -12.380 1.00 42.14 H new ATOM 0 HB3 LEU A 105 -1.481 -7.104 -11.259 1.00 42.14 H new ATOM 0 HG LEU A 105 -0.319 -4.905 -12.996 1.00 61.12 H new ATOM 0 HD11 LEU A 105 -2.391 -5.139 -14.312 1.00 30.10 H new ATOM 0 HD12 LEU A 105 -1.418 -6.629 -14.345 1.00 30.10 H new ATOM 0 HD13 LEU A 105 -2.863 -6.533 -13.311 1.00 30.10 H new ATOM 0 HD21 LEU A 105 -2.346 -3.663 -12.338 1.00 25.13 H new ATOM 0 HD22 LEU A 105 -2.816 -5.006 -11.269 1.00 25.13 H new ATOM 0 HD23 LEU A 105 -1.339 -4.073 -10.929 1.00 25.13 H new ATOM 1755 N GLU A 106 1.463 -8.273 -10.023 1.00 42.32 N ATOM 1756 CA GLU A 106 1.677 -9.461 -9.206 1.00 41.12 C ATOM 1757 C GLU A 106 2.702 -9.210 -8.106 1.00 54.42 C ATOM 1758 O GLU A 106 2.668 -9.860 -7.063 1.00 12.53 O ATOM 1759 CB GLU A 106 2.121 -10.651 -10.057 1.00 73.51 C ATOM 1760 CG GLU A 106 3.392 -10.402 -10.853 1.00 3.04 C ATOM 1761 CD GLU A 106 4.128 -11.680 -11.191 1.00 25.40 C ATOM 1762 OE1 GLU A 106 3.477 -12.736 -11.304 1.00 2.51 O ATOM 1763 OE2 GLU A 106 5.368 -11.634 -11.324 1.00 42.03 O ATOM 0 H GLU A 106 2.050 -8.214 -10.855 1.00 42.32 H new ATOM 0 HA GLU A 106 0.719 -9.697 -8.742 1.00 41.12 H new ATOM 0 HB2 GLU A 106 2.275 -11.512 -9.407 1.00 73.51 H new ATOM 0 HB3 GLU A 106 1.318 -10.911 -10.746 1.00 73.51 H new ATOM 0 HG2 GLU A 106 3.142 -9.877 -11.775 1.00 3.04 H new ATOM 0 HG3 GLU A 106 4.051 -9.748 -10.282 1.00 3.04 H new ATOM 1770 N LYS A 107 3.606 -8.262 -8.333 1.00 33.51 N ATOM 1771 CA LYS A 107 4.678 -7.982 -7.377 1.00 2.32 C ATOM 1772 C LYS A 107 4.107 -7.521 -6.039 1.00 14.14 C ATOM 1773 O LYS A 107 4.577 -7.928 -4.976 1.00 31.22 O ATOM 1774 CB LYS A 107 5.639 -6.921 -7.921 1.00 34.40 C ATOM 1775 CG LYS A 107 6.211 -7.243 -9.293 1.00 72.13 C ATOM 1776 CD LYS A 107 6.872 -8.614 -9.335 1.00 74.23 C ATOM 1777 CE LYS A 107 8.072 -8.700 -8.408 1.00 63.44 C ATOM 1778 NZ LYS A 107 8.781 -9.994 -8.559 1.00 65.33 N ATOM 0 H LYS A 107 3.620 -7.675 -9.167 1.00 33.51 H new ATOM 0 HA LYS A 107 5.231 -8.909 -7.225 1.00 2.32 H new ATOM 0 HB2 LYS A 107 5.116 -5.966 -7.973 1.00 34.40 H new ATOM 0 HB3 LYS A 107 6.462 -6.797 -7.217 1.00 34.40 H new ATOM 0 HG2 LYS A 107 5.414 -7.203 -10.035 1.00 72.13 H new ATOM 0 HG3 LYS A 107 6.941 -6.481 -9.568 1.00 72.13 H new ATOM 0 HD2 LYS A 107 6.144 -9.375 -9.056 1.00 74.23 H new ATOM 0 HD3 LYS A 107 7.187 -8.833 -10.355 1.00 74.23 H new ATOM 0 HE2 LYS A 107 8.758 -7.880 -8.622 1.00 63.44 H new ATOM 0 HE3 LYS A 107 7.745 -8.581 -7.375 1.00 63.44 H new ATOM 0 HZ1 LYS A 107 9.595 -10.021 -7.913 1.00 65.33 H new ATOM 0 HZ2 LYS A 107 8.132 -10.774 -8.331 1.00 65.33 H new ATOM 0 HZ3 LYS A 107 9.114 -10.095 -9.539 1.00 65.33 H new ATOM 1792 N LEU A 108 3.073 -6.691 -6.096 1.00 42.53 N ATOM 1793 CA LEU A 108 2.449 -6.174 -4.886 1.00 41.04 C ATOM 1794 C LEU A 108 1.413 -7.154 -4.331 1.00 53.24 C ATOM 1795 O LEU A 108 0.715 -6.852 -3.357 1.00 75.31 O ATOM 1796 CB LEU A 108 1.823 -4.793 -5.153 1.00 22.30 C ATOM 1797 CG LEU A 108 0.917 -4.683 -6.388 1.00 74.34 C ATOM 1798 CD1 LEU A 108 -0.459 -5.281 -6.125 1.00 31.31 C ATOM 1799 CD2 LEU A 108 0.793 -3.231 -6.823 1.00 24.24 C ATOM 0 H LEU A 108 2.650 -6.363 -6.964 1.00 42.53 H new ATOM 0 HA LEU A 108 3.223 -6.058 -4.128 1.00 41.04 H new ATOM 0 HB2 LEU A 108 1.243 -4.505 -4.276 1.00 22.30 H new ATOM 0 HB3 LEU A 108 2.629 -4.066 -5.254 1.00 22.30 H new ATOM 0 HG LEU A 108 1.377 -5.255 -7.194 1.00 74.34 H new ATOM 0 HD11 LEU A 108 -1.074 -5.186 -7.020 1.00 31.31 H new ATOM 0 HD12 LEU A 108 -0.354 -6.335 -5.867 1.00 31.31 H new ATOM 0 HD13 LEU A 108 -0.935 -4.751 -5.300 1.00 31.31 H new ATOM 0 HD21 LEU A 108 0.148 -3.168 -7.699 1.00 24.24 H new ATOM 0 HD22 LEU A 108 0.362 -2.644 -6.012 1.00 24.24 H new ATOM 0 HD23 LEU A 108 1.780 -2.840 -7.070 1.00 24.24 H new ATOM 1811 N TRP A 109 1.328 -8.332 -4.946 1.00 35.03 N ATOM 1812 CA TRP A 109 0.372 -9.346 -4.521 1.00 34.21 C ATOM 1813 C TRP A 109 1.082 -10.580 -3.969 1.00 64.03 C ATOM 1814 O TRP A 109 0.720 -11.080 -2.903 1.00 74.21 O ATOM 1815 CB TRP A 109 -0.545 -9.741 -5.679 1.00 13.30 C ATOM 1816 CG TRP A 109 -1.566 -10.770 -5.302 1.00 33.41 C ATOM 1817 CD1 TRP A 109 -2.472 -10.691 -4.283 1.00 60.43 C ATOM 1818 CD2 TRP A 109 -1.795 -12.026 -5.948 1.00 54.45 C ATOM 1819 NE1 TRP A 109 -3.242 -11.826 -4.249 1.00 62.23 N ATOM 1820 CE2 TRP A 109 -2.847 -12.661 -5.261 1.00 10.32 C ATOM 1821 CE3 TRP A 109 -1.209 -12.678 -7.037 1.00 41.11 C ATOM 1822 CZ2 TRP A 109 -3.327 -13.913 -5.630 1.00 74.11 C ATOM 1823 CZ3 TRP A 109 -1.687 -13.923 -7.402 1.00 11.41 C ATOM 1824 CH2 TRP A 109 -2.736 -14.530 -6.700 1.00 63.42 C ATOM 0 H TRP A 109 1.909 -8.605 -5.738 1.00 35.03 H new ATOM 0 HA TRP A 109 -0.233 -8.916 -3.723 1.00 34.21 H new ATOM 0 HB2 TRP A 109 -1.055 -8.852 -6.049 1.00 13.30 H new ATOM 0 HB3 TRP A 109 0.062 -10.125 -6.499 1.00 13.30 H new ATOM 0 HD1 TRP A 109 -2.568 -9.857 -3.603 1.00 60.43 H new ATOM 0 HE1 TRP A 109 -3.987 -12.017 -3.579 1.00 62.23 H new ATOM 0 HE3 TRP A 109 -0.398 -12.218 -7.583 1.00 41.11 H new ATOM 0 HZ2 TRP A 109 -4.137 -14.382 -5.092 1.00 74.11 H new ATOM 0 HZ3 TRP A 109 -1.244 -14.436 -8.243 1.00 11.41 H new ATOM 0 HH2 TRP A 109 -3.086 -15.504 -7.009 1.00 63.42 H new ATOM 1835 N ARG A 110 2.093 -11.063 -4.688 1.00 11.12 N ATOM 1836 CA ARG A 110 2.846 -12.236 -4.253 1.00 2.55 C ATOM 1837 C ARG A 110 3.449 -12.001 -2.875 1.00 72.12 C ATOM 1838 O ARG A 110 3.193 -12.757 -1.939 1.00 5.13 O ATOM 1839 CB ARG A 110 3.959 -12.584 -5.247 1.00 3.04 C ATOM 1840 CG ARG A 110 3.463 -13.006 -6.621 1.00 30.31 C ATOM 1841 CD ARG A 110 4.600 -13.565 -7.464 1.00 44.33 C ATOM 1842 NE ARG A 110 4.170 -13.926 -8.815 1.00 14.45 N ATOM 1843 CZ ARG A 110 4.332 -15.132 -9.353 1.00 42.41 C ATOM 1844 NH1 ARG A 110 4.865 -16.119 -8.640 1.00 63.04 N ATOM 1845 NH2 ARG A 110 3.957 -15.343 -10.607 1.00 31.20 N ATOM 0 H ARG A 110 2.408 -10.662 -5.571 1.00 11.12 H new ATOM 0 HA ARG A 110 2.150 -13.074 -4.205 1.00 2.55 H new ATOM 0 HB2 ARG A 110 4.613 -11.719 -5.360 1.00 3.04 H new ATOM 0 HB3 ARG A 110 4.564 -13.389 -4.829 1.00 3.04 H new ATOM 0 HG2 ARG A 110 2.681 -13.758 -6.514 1.00 30.31 H new ATOM 0 HG3 ARG A 110 3.016 -12.151 -7.128 1.00 30.31 H new ATOM 0 HD2 ARG A 110 5.399 -12.827 -7.526 1.00 44.33 H new ATOM 0 HD3 ARG A 110 5.015 -14.444 -6.971 1.00 44.33 H new ATOM 0 HE ARG A 110 3.717 -13.208 -9.380 1.00 14.45 H new ATOM 0 HH11 ARG A 110 5.152 -15.954 -7.675 1.00 63.04 H new ATOM 0 HH12 ARG A 110 4.987 -17.042 -9.058 1.00 63.04 H new ATOM 0 HH21 ARG A 110 3.548 -14.584 -11.152 1.00 31.20 H new ATOM 0 HH22 ARG A 110 4.078 -16.265 -11.027 1.00 31.20 H new ATOM 1859 N ARG A 111 4.241 -10.937 -2.759 1.00 5.13 N ATOM 1860 CA ARG A 111 4.833 -10.545 -1.483 1.00 53.42 C ATOM 1861 C ARG A 111 3.745 -10.256 -0.448 1.00 60.31 C ATOM 1862 O ARG A 111 3.949 -10.438 0.750 1.00 51.12 O ATOM 1863 CB ARG A 111 5.722 -9.305 -1.680 1.00 42.35 C ATOM 1864 CG ARG A 111 6.218 -8.680 -0.382 1.00 5.01 C ATOM 1865 CD ARG A 111 7.095 -9.633 0.410 1.00 22.31 C ATOM 1866 NE ARG A 111 8.443 -9.746 -0.145 1.00 64.44 N ATOM 1867 CZ ARG A 111 9.374 -10.569 0.336 1.00 71.32 C ATOM 1868 NH1 ARG A 111 9.074 -11.416 1.317 1.00 33.33 N ATOM 1869 NH2 ARG A 111 10.597 -10.549 -0.171 1.00 61.35 N ATOM 0 H ARG A 111 4.488 -10.328 -3.539 1.00 5.13 H new ATOM 0 HA ARG A 111 5.444 -11.369 -1.114 1.00 53.42 H new ATOM 0 HB2 ARG A 111 6.583 -9.582 -2.289 1.00 42.35 H new ATOM 0 HB3 ARG A 111 5.163 -8.556 -2.240 1.00 42.35 H new ATOM 0 HG2 ARG A 111 6.780 -7.773 -0.608 1.00 5.01 H new ATOM 0 HG3 ARG A 111 5.364 -8.383 0.227 1.00 5.01 H new ATOM 0 HD2 ARG A 111 7.158 -9.290 1.443 1.00 22.31 H new ATOM 0 HD3 ARG A 111 6.630 -10.619 0.429 1.00 22.31 H new ATOM 0 HE ARG A 111 8.684 -9.162 -0.946 1.00 64.44 H new ATOM 0 HH11 ARG A 111 8.130 -11.436 1.702 1.00 33.33 H new ATOM 0 HH12 ARG A 111 9.788 -12.045 1.684 1.00 33.33 H new ATOM 0 HH21 ARG A 111 10.825 -9.905 -0.928 1.00 61.35 H new ATOM 0 HH22 ARG A 111 11.311 -11.178 0.196 1.00 61.35 H new ATOM 1883 N HIS A 112 2.581 -9.838 -0.923 1.00 0.24 N ATOM 1884 CA HIS A 112 1.501 -9.420 -0.042 1.00 4.00 C ATOM 1885 C HIS A 112 0.907 -10.612 0.703 1.00 43.40 C ATOM 1886 O HIS A 112 0.837 -10.612 1.931 1.00 65.41 O ATOM 1887 CB HIS A 112 0.409 -8.721 -0.849 1.00 23.53 C ATOM 1888 CG HIS A 112 -0.268 -7.607 -0.116 1.00 23.25 C ATOM 1889 ND1 HIS A 112 -0.463 -6.364 -0.675 1.00 1.50 N ATOM 1890 CD2 HIS A 112 -0.803 -7.552 1.124 1.00 73.52 C ATOM 1891 CE1 HIS A 112 -1.085 -5.587 0.192 1.00 31.31 C ATOM 1892 NE2 HIS A 112 -1.305 -6.284 1.294 1.00 52.10 N ATOM 0 H HIS A 112 2.360 -9.779 -1.917 1.00 0.24 H new ATOM 0 HA HIS A 112 1.912 -8.726 0.691 1.00 4.00 H new ATOM 0 HB2 HIS A 112 0.845 -8.326 -1.767 1.00 23.53 H new ATOM 0 HB3 HIS A 112 -0.339 -9.457 -1.143 1.00 23.53 H new ATOM 0 HD1 HIS A 112 -0.172 -6.087 -1.613 1.00 1.50 H new ATOM 0 HD2 HIS A 112 -0.831 -8.355 1.846 1.00 73.52 H new ATOM 0 HE1 HIS A 112 -1.366 -4.557 0.029 1.00 31.31 H new ATOM 1901 N CYS A 113 0.472 -11.621 -0.043 1.00 24.40 N ATOM 1902 CA CYS A 113 -0.148 -12.796 0.558 1.00 14.15 C ATOM 1903 C CYS A 113 0.902 -13.677 1.229 1.00 45.32 C ATOM 1904 O CYS A 113 0.683 -14.194 2.327 1.00 31.32 O ATOM 1905 CB CYS A 113 -0.918 -13.598 -0.496 1.00 71.45 C ATOM 1906 SG CYS A 113 -1.645 -15.132 0.132 1.00 44.04 S ATOM 0 H CYS A 113 0.537 -11.649 -1.061 1.00 24.40 H new ATOM 0 HA CYS A 113 -0.851 -12.456 1.319 1.00 14.15 H new ATOM 0 HB2 CYS A 113 -1.712 -12.973 -0.905 1.00 71.45 H new ATOM 0 HB3 CYS A 113 -0.245 -13.837 -1.319 1.00 71.45 H new ATOM 0 HG CYS A 113 -2.908 -15.170 -0.173 1.00 44.04 H new ATOM 1912 N ARG A 114 2.058 -13.821 0.582 1.00 41.42 N ATOM 1913 CA ARG A 114 3.113 -14.687 1.092 1.00 62.32 C ATOM 1914 C ARG A 114 3.582 -14.221 2.468 1.00 0.13 C ATOM 1915 O ARG A 114 3.831 -15.039 3.351 1.00 24.24 O ATOM 1916 CB ARG A 114 4.297 -14.729 0.121 1.00 23.35 C ATOM 1917 CG ARG A 114 5.337 -15.780 0.471 1.00 3.21 C ATOM 1918 CD ARG A 114 4.777 -17.186 0.330 1.00 3.13 C ATOM 1919 NE ARG A 114 5.745 -18.205 0.735 1.00 75.23 N ATOM 1920 CZ ARG A 114 5.886 -19.387 0.135 1.00 32.23 C ATOM 1921 NH1 ARG A 114 5.140 -19.694 -0.919 1.00 33.25 N ATOM 1922 NH2 ARG A 114 6.779 -20.258 0.593 1.00 65.41 N ATOM 0 H ARG A 114 2.285 -13.349 -0.294 1.00 41.42 H new ATOM 0 HA ARG A 114 2.703 -15.692 1.187 1.00 62.32 H new ATOM 0 HB2 ARG A 114 3.924 -14.921 -0.885 1.00 23.35 H new ATOM 0 HB3 ARG A 114 4.775 -13.750 0.102 1.00 23.35 H new ATOM 0 HG2 ARG A 114 6.204 -15.666 -0.179 1.00 3.21 H new ATOM 0 HG3 ARG A 114 5.682 -15.626 1.493 1.00 3.21 H new ATOM 0 HD2 ARG A 114 3.876 -17.280 0.937 1.00 3.13 H new ATOM 0 HD3 ARG A 114 4.483 -17.357 -0.706 1.00 3.13 H new ATOM 0 HE ARG A 114 6.352 -17.998 1.528 1.00 75.23 H new ATOM 0 HH11 ARG A 114 4.456 -19.025 -1.272 1.00 33.25 H new ATOM 0 HH12 ARG A 114 5.250 -20.599 -1.376 1.00 33.25 H new ATOM 0 HH21 ARG A 114 7.354 -20.021 1.401 1.00 65.41 H new ATOM 0 HH22 ARG A 114 6.889 -21.163 0.136 1.00 65.41 H new ATOM 1936 N LEU A 115 3.686 -12.907 2.648 1.00 1.05 N ATOM 1937 CA LEU A 115 4.139 -12.342 3.916 1.00 3.15 C ATOM 1938 C LEU A 115 3.125 -12.637 5.016 1.00 43.31 C ATOM 1939 O LEU A 115 3.495 -13.014 6.131 1.00 11.34 O ATOM 1940 CB LEU A 115 4.359 -10.828 3.765 1.00 44.42 C ATOM 1941 CG LEU A 115 5.174 -10.143 4.874 1.00 24.43 C ATOM 1942 CD1 LEU A 115 5.741 -8.825 4.373 1.00 32.15 C ATOM 1943 CD2 LEU A 115 4.319 -9.893 6.109 1.00 43.55 C ATOM 0 H LEU A 115 3.463 -12.214 1.933 1.00 1.05 H new ATOM 0 HA LEU A 115 5.087 -12.803 4.195 1.00 3.15 H new ATOM 0 HB2 LEU A 115 4.859 -10.648 2.813 1.00 44.42 H new ATOM 0 HB3 LEU A 115 3.384 -10.345 3.709 1.00 44.42 H new ATOM 0 HG LEU A 115 5.992 -10.810 5.147 1.00 24.43 H new ATOM 0 HD11 LEU A 115 6.316 -8.350 5.168 1.00 32.15 H new ATOM 0 HD12 LEU A 115 6.390 -9.010 3.517 1.00 32.15 H new ATOM 0 HD13 LEU A 115 4.924 -8.168 4.074 1.00 32.15 H new ATOM 0 HD21 LEU A 115 4.922 -9.408 6.877 1.00 43.55 H new ATOM 0 HD22 LEU A 115 3.479 -9.250 5.846 1.00 43.55 H new ATOM 0 HD23 LEU A 115 3.943 -10.843 6.490 1.00 43.55 H new ATOM 1955 N ALA A 116 1.848 -12.487 4.686 1.00 13.35 N ATOM 1956 CA ALA A 116 0.774 -12.713 5.643 1.00 22.34 C ATOM 1957 C ALA A 116 0.734 -14.168 6.099 1.00 12.42 C ATOM 1958 O ALA A 116 0.493 -14.458 7.270 1.00 23.04 O ATOM 1959 CB ALA A 116 -0.562 -12.314 5.037 1.00 24.24 C ATOM 0 H ALA A 116 1.531 -12.208 3.758 1.00 13.35 H new ATOM 0 HA ALA A 116 0.968 -12.093 6.518 1.00 22.34 H new ATOM 0 HB1 ALA A 116 -1.357 -12.488 5.762 1.00 24.24 H new ATOM 0 HB2 ALA A 116 -0.539 -11.258 4.770 1.00 24.24 H new ATOM 0 HB3 ALA A 116 -0.749 -12.910 4.144 1.00 24.24 H new ATOM 1965 N ARG A 117 0.971 -15.077 5.165 1.00 1.21 N ATOM 1966 CA ARG A 117 0.960 -16.501 5.475 1.00 52.10 C ATOM 1967 C ARG A 117 2.274 -16.944 6.113 1.00 62.03 C ATOM 1968 O ARG A 117 2.283 -17.817 6.982 1.00 5.10 O ATOM 1969 CB ARG A 117 0.680 -17.327 4.222 1.00 24.32 C ATOM 1970 CG ARG A 117 -0.747 -17.203 3.717 1.00 41.20 C ATOM 1971 CD ARG A 117 -1.031 -18.202 2.605 1.00 3.24 C ATOM 1972 NE ARG A 117 -0.737 -19.576 3.019 1.00 53.53 N ATOM 1973 CZ ARG A 117 -1.415 -20.647 2.607 1.00 41.41 C ATOM 1974 NH1 ARG A 117 -2.447 -20.518 1.776 1.00 62.34 N ATOM 1975 NH2 ARG A 117 -1.052 -21.852 3.029 1.00 53.31 N ATOM 0 H ARG A 117 1.173 -14.857 4.190 1.00 1.21 H new ATOM 0 HA ARG A 117 0.159 -16.671 6.195 1.00 52.10 H new ATOM 0 HB2 ARG A 117 1.364 -17.017 3.432 1.00 24.32 H new ATOM 0 HB3 ARG A 117 0.892 -18.375 4.433 1.00 24.32 H new ATOM 0 HG2 ARG A 117 -1.442 -17.366 4.541 1.00 41.20 H new ATOM 0 HG3 ARG A 117 -0.918 -16.191 3.351 1.00 41.20 H new ATOM 0 HD2 ARG A 117 -2.077 -18.128 2.308 1.00 3.24 H new ATOM 0 HD3 ARG A 117 -0.433 -17.951 1.729 1.00 3.24 H new ATOM 0 HE ARG A 117 0.038 -19.723 3.666 1.00 53.53 H new ATOM 0 HH11 ARG A 117 -2.726 -19.593 1.449 1.00 62.34 H new ATOM 0 HH12 ARG A 117 -2.959 -21.344 1.467 1.00 62.34 H new ATOM 0 HH21 ARG A 117 -0.260 -21.953 3.664 1.00 53.31 H new ATOM 0 HH22 ARG A 117 -1.565 -22.677 2.719 1.00 53.31 H new ATOM 1989 N GLY A 118 3.375 -16.354 5.682 1.00 30.12 N ATOM 1990 CA GLY A 118 4.657 -16.689 6.264 1.00 60.34 C ATOM 1991 C GLY A 118 5.821 -16.406 5.337 1.00 4.05 C ATOM 1992 O GLY A 118 6.007 -17.092 4.333 1.00 13.44 O ATOM 0 H GLY A 118 3.406 -15.652 4.943 1.00 30.12 H new ATOM 0 HA2 GLY A 118 4.789 -16.124 7.187 1.00 60.34 H new ATOM 0 HA3 GLY A 118 4.663 -17.745 6.533 1.00 60.34 H new ATOM 1996 N SER A 119 6.591 -15.380 5.666 1.00 44.42 N ATOM 1997 CA SER A 119 7.812 -15.059 4.945 1.00 21.42 C ATOM 1998 C SER A 119 8.926 -14.777 5.947 1.00 61.12 C ATOM 1999 O SER A 119 9.761 -15.674 6.183 1.00 25.42 O ATOM 2000 CB SER A 119 7.600 -13.848 4.030 1.00 34.24 C ATOM 2001 OG SER A 119 6.606 -14.113 3.054 1.00 63.42 O ATOM 2002 OXT SER A 119 8.926 -13.677 6.537 1.00 0.00 O ATOM 0 H SER A 119 6.387 -14.747 6.440 1.00 44.42 H new ATOM 0 HA SER A 119 8.090 -15.907 4.320 1.00 21.42 H new ATOM 0 HB2 SER A 119 7.307 -12.984 4.627 1.00 34.24 H new ATOM 0 HB3 SER A 119 8.538 -13.592 3.538 1.00 34.24 H new ATOM 0 HG SER A 119 6.489 -13.324 2.484 1.00 63.42 H new TER 2008 SER A 119