USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 469 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 58 THR OG1 : rot -30:sc= 1.3 USER MOD Set 1.2: A 79 TYR OH : rot -130:sc= 1.01 USER MOD Set 2.1: A 25 HIS : no HD1:sc= 0.0422 K(o=0.34,f=-1.7) USER MOD Set 2.2: A 64 ASN : amide:sc= 0.295 K(o=0.34,f=-1.7!) USER MOD Set 3.1: A 28 GLN : amide:sc= 0.733 K(o=1.4,f=0.65) USER MOD Set 3.2: A 53 HIS : no HE2:sc= 0.622 K(o=1.4,f=-2.9) USER MOD Set 4.1: A 8 MET CE :methyl -150:sc= 0 (180deg=-0.701) USER MOD Set 4.2: A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0.87 K(o=0.87,f=0.22) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0121 X(o=-0.012,f=-0.012) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0815 K(o=-0.081,f=-1.9) USER MOD Single : A 23 GLN : amide:sc= -0.0664 K(o=-0.066,f=-1.4!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN :FLIP amide:sc=-0.00435 F(o=-0.61,f=-0.0043) USER MOD Single : A 61 MET CE :methyl -150:sc= -0.201 (180deg=-1.39) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.013) USER MOD Single : A 67 SER OG : rot 65:sc= 0.882 USER MOD Single : A 69 ASN :FLIP amide:sc= -0.0372 F(o=-0.69,f=-0.037) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.0707 F(o=-1.3,f=-0.071) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -169:sc= 0 (180deg=-0.0923) USER MOD Single : A 78 HIS : no HE2:sc= -0.459 X(o=-0.46,f=-0.85) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ASN A 2 -6.552 5.993 -0.487 1.00 4.31 N ATOM 12 CA ASN A 2 -5.903 5.740 0.808 1.00 24.41 C ATOM 13 C ASN A 2 -5.229 4.374 0.866 1.00 2.42 C ATOM 14 O ASN A 2 -4.994 3.885 1.962 1.00 13.52 O ATOM 15 CB ASN A 2 -6.916 5.847 1.961 1.00 32.44 C ATOM 16 CG ASN A 2 -7.916 4.687 1.945 1.00 72.20 C ATOM 17 OD1 ASN A 2 -8.618 4.521 0.956 1.00 74.13 O ATOM 18 ND2 ASN A 2 -8.024 3.872 2.982 1.00 42.40 N ATOM 0 HA ASN A 2 -5.134 6.505 0.917 1.00 24.41 H new ATOM 0 HB2 ASN A 2 -6.385 5.856 2.913 1.00 32.44 H new ATOM 0 HB3 ASN A 2 -7.454 6.792 1.887 1.00 32.44 H new ATOM 0 HD21 ASN A 2 -8.694 3.103 2.959 1.00 42.40 H new ATOM 0 HD22 ASN A 2 -7.438 4.013 3.805 1.00 42.40 H new ATOM 24 N ILE A 3 -4.954 3.734 -0.263 1.00 53.14 N ATOM 25 CA ILE A 3 -4.379 2.395 -0.310 1.00 22.21 C ATOM 26 C ILE A 3 -3.086 2.525 -1.098 1.00 73.32 C ATOM 27 O ILE A 3 -3.100 3.198 -2.133 1.00 51.52 O ATOM 28 CB ILE A 3 -5.381 1.401 -0.942 1.00 72.10 C ATOM 29 CG1 ILE A 3 -6.758 1.514 -0.245 1.00 1.31 C ATOM 30 CG2 ILE A 3 -4.857 -0.041 -0.961 1.00 43.40 C ATOM 31 CD1 ILE A 3 -7.742 0.389 -0.542 1.00 44.40 C ATOM 0 H ILE A 3 -5.126 4.135 -1.185 1.00 53.14 H new ATOM 0 HA ILE A 3 -4.167 1.995 0.681 1.00 22.21 H new ATOM 0 HB ILE A 3 -5.504 1.678 -1.989 1.00 72.10 H new ATOM 0 HG12 ILE A 3 -6.597 1.557 0.832 1.00 1.31 H new ATOM 0 HG13 ILE A 3 -7.216 2.459 -0.537 1.00 1.31 H new ATOM 0 HG21 ILE A 3 -5.603 -0.693 -1.416 1.00 43.40 H new ATOM 0 HG22 ILE A 3 -3.935 -0.085 -1.540 1.00 43.40 H new ATOM 0 HG23 ILE A 3 -4.661 -0.370 0.059 1.00 43.40 H new ATOM 0 HD11 ILE A 3 -8.673 0.568 -0.003 1.00 44.40 H new ATOM 0 HD12 ILE A 3 -7.943 0.355 -1.613 1.00 44.40 H new ATOM 0 HD13 ILE A 3 -7.315 -0.562 -0.223 1.00 44.40 H new ATOM 42 N VAL A 4 -1.996 1.878 -0.698 1.00 30.22 N ATOM 43 CA VAL A 4 -0.753 1.949 -1.444 1.00 45.33 C ATOM 44 C VAL A 4 -0.441 0.501 -1.814 1.00 25.32 C ATOM 45 O VAL A 4 0.066 -0.285 -1.014 1.00 72.02 O ATOM 46 CB VAL A 4 0.280 2.817 -0.684 1.00 22.04 C ATOM 47 CG1 VAL A 4 1.406 3.217 -1.637 1.00 1.44 C ATOM 48 CG2 VAL A 4 -0.350 4.105 -0.118 1.00 21.43 C ATOM 0 H VAL A 4 -1.952 1.299 0.140 1.00 30.22 H new ATOM 0 HA VAL A 4 -0.772 2.491 -2.390 1.00 45.33 H new ATOM 0 HB VAL A 4 0.657 2.220 0.147 1.00 22.04 H new ATOM 0 HG11 VAL A 4 2.134 3.828 -1.104 1.00 1.44 H new ATOM 0 HG12 VAL A 4 1.895 2.321 -2.019 1.00 1.44 H new ATOM 0 HG13 VAL A 4 0.993 3.788 -2.469 1.00 1.44 H new ATOM 0 HG21 VAL A 4 0.411 4.682 0.407 1.00 21.43 H new ATOM 0 HG22 VAL A 4 -0.758 4.700 -0.935 1.00 21.43 H new ATOM 0 HG23 VAL A 4 -1.150 3.845 0.575 1.00 21.43 H new ATOM 58 N MET A 5 -0.924 0.098 -2.987 1.00 70.24 N ATOM 59 CA MET A 5 -0.750 -1.241 -3.520 1.00 13.45 C ATOM 60 C MET A 5 0.651 -1.297 -4.106 1.00 3.15 C ATOM 61 O MET A 5 1.013 -0.419 -4.894 1.00 13.44 O ATOM 62 CB MET A 5 -1.852 -1.513 -4.546 1.00 25.44 C ATOM 63 CG MET A 5 -1.892 -2.935 -5.102 1.00 24.13 C ATOM 64 SD MET A 5 -0.570 -3.396 -6.241 1.00 72.34 S ATOM 65 CE MET A 5 -1.492 -4.634 -7.179 1.00 21.31 C ATOM 0 H MET A 5 -1.458 0.711 -3.603 1.00 70.24 H new ATOM 0 HA MET A 5 -0.840 -2.019 -2.762 1.00 13.45 H new ATOM 0 HB2 MET A 5 -2.816 -1.293 -4.086 1.00 25.44 H new ATOM 0 HB3 MET A 5 -1.730 -0.819 -5.378 1.00 25.44 H new ATOM 0 HG2 MET A 5 -1.875 -3.630 -4.262 1.00 24.13 H new ATOM 0 HG3 MET A 5 -2.845 -3.074 -5.612 1.00 24.13 H new ATOM 0 HE1 MET A 5 -0.851 -5.056 -7.952 1.00 21.31 H new ATOM 0 HE2 MET A 5 -1.822 -5.427 -6.508 1.00 21.31 H new ATOM 0 HE3 MET A 5 -2.360 -4.166 -7.643 1.00 21.31 H new ATOM 73 N LEU A 6 1.449 -2.276 -3.677 1.00 10.51 N ATOM 74 CA LEU A 6 2.882 -2.327 -3.937 1.00 41.41 C ATOM 75 C LEU A 6 3.142 -3.540 -4.803 1.00 75.41 C ATOM 76 O LEU A 6 2.848 -4.654 -4.370 1.00 42.33 O ATOM 77 CB LEU A 6 3.730 -2.395 -2.652 1.00 23.04 C ATOM 78 CG LEU A 6 3.201 -1.639 -1.424 1.00 63.41 C ATOM 79 CD1 LEU A 6 4.083 -1.927 -0.203 1.00 72.30 C ATOM 80 CD2 LEU A 6 3.171 -0.132 -1.682 1.00 74.34 C ATOM 0 H LEU A 6 1.109 -3.067 -3.130 1.00 10.51 H new ATOM 0 HA LEU A 6 3.179 -1.405 -4.437 1.00 41.41 H new ATOM 0 HB2 LEU A 6 3.847 -3.444 -2.379 1.00 23.04 H new ATOM 0 HB3 LEU A 6 4.724 -2.013 -2.882 1.00 23.04 H new ATOM 0 HG LEU A 6 2.185 -1.984 -1.230 1.00 63.41 H new ATOM 0 HD11 LEU A 6 3.697 -1.385 0.660 1.00 72.30 H new ATOM 0 HD12 LEU A 6 4.076 -2.997 0.007 1.00 72.30 H new ATOM 0 HD13 LEU A 6 5.104 -1.604 -0.407 1.00 72.30 H new ATOM 0 HD21 LEU A 6 2.793 0.381 -0.798 1.00 74.34 H new ATOM 0 HD22 LEU A 6 4.179 0.220 -1.902 1.00 74.34 H new ATOM 0 HD23 LEU A 6 2.520 0.079 -2.530 1.00 74.34 H new ATOM 91 N ARG A 7 3.639 -3.367 -6.025 1.00 21.34 N ATOM 92 CA ARG A 7 3.982 -4.476 -6.915 1.00 4.55 C ATOM 93 C ARG A 7 5.479 -4.701 -6.933 1.00 64.22 C ATOM 94 O ARG A 7 6.243 -3.786 -6.644 1.00 34.13 O ATOM 95 CB ARG A 7 3.502 -4.192 -8.345 1.00 31.43 C ATOM 96 CG ARG A 7 1.971 -4.189 -8.433 1.00 73.12 C ATOM 97 CD ARG A 7 1.480 -4.747 -9.770 1.00 50.20 C ATOM 98 NE ARG A 7 1.716 -6.201 -9.880 1.00 41.11 N ATOM 99 CZ ARG A 7 1.865 -6.882 -11.024 1.00 35.24 C ATOM 100 NH1 ARG A 7 1.598 -6.301 -12.192 1.00 4.21 N ATOM 101 NH2 ARG A 7 2.275 -8.145 -10.965 1.00 1.21 N ATOM 0 H ARG A 7 3.817 -2.448 -6.429 1.00 21.34 H new ATOM 0 HA ARG A 7 3.485 -5.370 -6.538 1.00 4.55 H new ATOM 0 HB2 ARG A 7 3.888 -3.228 -8.675 1.00 31.43 H new ATOM 0 HB3 ARG A 7 3.905 -4.945 -9.022 1.00 31.43 H new ATOM 0 HG2 ARG A 7 1.558 -4.783 -7.617 1.00 73.12 H new ATOM 0 HG3 ARG A 7 1.601 -3.172 -8.305 1.00 73.12 H new ATOM 0 HD2 ARG A 7 0.415 -4.543 -9.879 1.00 50.20 H new ATOM 0 HD3 ARG A 7 1.988 -4.234 -10.586 1.00 50.20 H new ATOM 0 HE ARG A 7 1.770 -6.732 -9.011 1.00 41.11 H new ATOM 0 HH11 ARG A 7 1.278 -5.333 -12.219 1.00 4.21 H new ATOM 0 HH12 ARG A 7 1.713 -6.824 -13.060 1.00 4.21 H new ATOM 0 HH21 ARG A 7 2.469 -8.576 -10.061 1.00 1.21 H new ATOM 0 HH22 ARG A 7 2.395 -8.683 -11.823 1.00 1.21 H new ATOM 112 N MET A 8 5.873 -5.891 -7.390 1.00 33.14 N ATOM 113 CA MET A 8 7.254 -6.339 -7.539 1.00 51.22 C ATOM 114 C MET A 8 7.817 -6.662 -6.151 1.00 12.42 C ATOM 115 O MET A 8 8.834 -6.120 -5.719 1.00 73.30 O ATOM 116 CB MET A 8 8.097 -5.371 -8.407 1.00 35.42 C ATOM 117 CG MET A 8 7.353 -4.941 -9.686 1.00 41.52 C ATOM 118 SD MET A 8 8.354 -4.579 -11.154 1.00 5.24 S ATOM 119 CE MET A 8 9.368 -3.200 -10.567 1.00 64.12 C ATOM 0 H MET A 8 5.202 -6.602 -7.680 1.00 33.14 H new ATOM 0 HA MET A 8 7.299 -7.264 -8.114 1.00 51.22 H new ATOM 0 HB2 MET A 8 8.351 -4.487 -7.821 1.00 35.42 H new ATOM 0 HB3 MET A 8 9.036 -5.853 -8.679 1.00 35.42 H new ATOM 0 HG2 MET A 8 6.647 -5.730 -9.946 1.00 41.52 H new ATOM 0 HG3 MET A 8 6.766 -4.053 -9.451 1.00 41.52 H new ATOM 0 HE1 MET A 8 9.614 -2.547 -11.404 1.00 64.12 H new ATOM 0 HE2 MET A 8 8.815 -2.635 -9.817 1.00 64.12 H new ATOM 0 HE3 MET A 8 10.287 -3.586 -10.125 1.00 64.12 H new ATOM 127 N LEU A 9 7.086 -7.520 -5.421 1.00 60.42 N ATOM 128 CA LEU A 9 7.383 -7.894 -4.044 1.00 41.42 C ATOM 129 C LEU A 9 8.024 -9.288 -3.972 1.00 44.30 C ATOM 130 O LEU A 9 7.626 -10.167 -4.744 1.00 55.53 O ATOM 131 CB LEU A 9 6.050 -7.870 -3.277 1.00 72.44 C ATOM 132 CG LEU A 9 6.050 -6.995 -2.025 1.00 1.13 C ATOM 133 CD1 LEU A 9 6.458 -5.534 -2.267 1.00 75.01 C ATOM 134 CD2 LEU A 9 4.648 -6.982 -1.434 1.00 40.40 C ATOM 0 H LEU A 9 6.253 -7.980 -5.789 1.00 60.42 H new ATOM 0 HA LEU A 9 8.099 -7.198 -3.607 1.00 41.42 H new ATOM 0 HB2 LEU A 9 5.266 -7.520 -3.949 1.00 72.44 H new ATOM 0 HB3 LEU A 9 5.792 -8.890 -2.991 1.00 72.44 H new ATOM 0 HG LEU A 9 6.793 -7.433 -1.358 1.00 1.13 H new ATOM 0 HD11 LEU A 9 6.430 -4.987 -1.324 1.00 75.01 H new ATOM 0 HD12 LEU A 9 7.468 -5.501 -2.675 1.00 75.01 H new ATOM 0 HD13 LEU A 9 5.766 -5.075 -2.973 1.00 75.01 H new ATOM 0 HD21 LEU A 9 4.636 -6.360 -0.539 1.00 40.40 H new ATOM 0 HD22 LEU A 9 3.948 -6.578 -2.166 1.00 40.40 H new ATOM 0 HD23 LEU A 9 4.354 -7.999 -1.173 1.00 40.40 H new ATOM 145 N PRO A 10 8.960 -9.524 -3.035 1.00 15.45 N ATOM 146 CA PRO A 10 9.573 -10.830 -2.795 1.00 31.23 C ATOM 147 C PRO A 10 8.604 -11.818 -2.141 1.00 71.43 C ATOM 148 O PRO A 10 7.523 -11.452 -1.689 1.00 53.32 O ATOM 149 CB PRO A 10 10.773 -10.565 -1.871 1.00 55.10 C ATOM 150 CG PRO A 10 10.387 -9.279 -1.163 1.00 55.22 C ATOM 151 CD PRO A 10 9.608 -8.512 -2.220 1.00 15.42 C ATOM 0 HA PRO A 10 9.870 -11.288 -3.738 1.00 31.23 H new ATOM 0 HB2 PRO A 10 10.927 -11.382 -1.166 1.00 55.10 H new ATOM 0 HB3 PRO A 10 11.699 -10.452 -2.435 1.00 55.10 H new ATOM 0 HG2 PRO A 10 9.779 -9.474 -0.279 1.00 55.22 H new ATOM 0 HG3 PRO A 10 11.265 -8.725 -0.830 1.00 55.22 H new ATOM 0 HD2 PRO A 10 8.875 -7.848 -1.762 1.00 15.42 H new ATOM 0 HD3 PRO A 10 10.271 -7.889 -2.821 1.00 15.42 H new ATOM 156 N GLN A 11 9.032 -13.076 -2.000 1.00 73.32 N ATOM 157 CA GLN A 11 8.359 -14.074 -1.160 1.00 64.42 C ATOM 158 C GLN A 11 8.822 -13.965 0.303 1.00 32.32 C ATOM 159 O GLN A 11 8.178 -14.537 1.181 1.00 71.31 O ATOM 160 CB GLN A 11 8.635 -15.485 -1.720 1.00 52.55 C ATOM 161 CG GLN A 11 7.796 -16.621 -1.122 1.00 74.21 C ATOM 162 CD GLN A 11 6.331 -16.530 -1.520 1.00 53.54 C ATOM 163 OE1 GLN A 11 5.985 -16.696 -2.691 1.00 61.23 O ATOM 164 NE2 GLN A 11 5.428 -16.323 -0.580 1.00 13.10 N ATOM 0 H GLN A 11 9.863 -13.435 -2.470 1.00 73.32 H new ATOM 0 HA GLN A 11 7.285 -13.887 -1.178 1.00 64.42 H new ATOM 0 HB2 GLN A 11 8.469 -15.466 -2.797 1.00 52.55 H new ATOM 0 HB3 GLN A 11 9.689 -15.717 -1.564 1.00 52.55 H new ATOM 0 HG2 GLN A 11 8.200 -17.579 -1.450 1.00 74.21 H new ATOM 0 HG3 GLN A 11 7.877 -16.596 -0.035 1.00 74.21 H new ATOM 0 HE21 GLN A 11 5.721 -16.186 0.387 1.00 13.10 H new ATOM 0 HE22 GLN A 11 4.437 -16.300 -0.821 1.00 13.10 H new ATOM 171 N ALA A 12 9.917 -13.251 0.577 1.00 4.10 N ATOM 172 CA ALA A 12 10.575 -13.232 1.878 1.00 3.21 C ATOM 173 C ALA A 12 10.388 -11.918 2.661 1.00 34.25 C ATOM 174 O ALA A 12 10.886 -11.837 3.785 1.00 74.52 O ATOM 175 CB ALA A 12 12.051 -13.601 1.675 1.00 3.43 C ATOM 0 H ALA A 12 10.377 -12.660 -0.115 1.00 4.10 H new ATOM 0 HA ALA A 12 10.094 -13.973 2.517 1.00 3.21 H new ATOM 0 HB1 ALA A 12 12.564 -13.593 2.637 1.00 3.43 H new ATOM 0 HB2 ALA A 12 12.120 -14.596 1.235 1.00 3.43 H new ATOM 0 HB3 ALA A 12 12.519 -12.876 1.009 1.00 3.43 H new ATOM 181 N ALA A 13 9.664 -10.922 2.135 1.00 72.51 N ATOM 182 CA ALA A 13 9.271 -9.757 2.932 1.00 52.23 C ATOM 183 C ALA A 13 8.150 -10.160 3.909 1.00 72.50 C ATOM 184 O ALA A 13 7.639 -11.283 3.855 1.00 1.13 O ATOM 185 CB ALA A 13 8.812 -8.611 2.019 1.00 41.14 C ATOM 0 H ALA A 13 9.341 -10.901 1.168 1.00 72.51 H new ATOM 0 HA ALA A 13 10.130 -9.405 3.503 1.00 52.23 H new ATOM 0 HB1 ALA A 13 8.524 -7.754 2.628 1.00 41.14 H new ATOM 0 HB2 ALA A 13 9.628 -8.326 1.354 1.00 41.14 H new ATOM 0 HB3 ALA A 13 7.958 -8.938 1.426 1.00 41.14 H new ATOM 191 N THR A 14 7.721 -9.258 4.789 1.00 44.20 N ATOM 192 CA THR A 14 6.674 -9.520 5.775 1.00 11.02 C ATOM 193 C THR A 14 5.822 -8.271 5.994 1.00 55.42 C ATOM 194 O THR A 14 6.207 -7.169 5.600 1.00 44.23 O ATOM 195 CB THR A 14 7.321 -9.987 7.100 1.00 23.54 C ATOM 196 OG1 THR A 14 8.493 -9.251 7.380 1.00 20.14 O ATOM 197 CG2 THR A 14 7.743 -11.453 7.076 1.00 54.01 C ATOM 0 H THR A 14 8.096 -8.311 4.838 1.00 44.20 H new ATOM 0 HA THR A 14 6.019 -10.309 5.405 1.00 11.02 H new ATOM 0 HB THR A 14 6.550 -9.833 7.855 1.00 23.54 H new ATOM 0 HG1 THR A 14 8.882 -9.564 8.223 1.00 20.14 H new ATOM 0 HG21 THR A 14 8.190 -11.719 8.034 1.00 54.01 H new ATOM 0 HG22 THR A 14 6.870 -12.080 6.896 1.00 54.01 H new ATOM 0 HG23 THR A 14 8.471 -11.609 6.280 1.00 54.01 H new ATOM 205 N GLU A 15 4.653 -8.443 6.632 1.00 43.03 N ATOM 206 CA GLU A 15 3.762 -7.364 7.031 1.00 74.20 C ATOM 207 C GLU A 15 4.531 -6.234 7.711 1.00 40.14 C ATOM 208 O GLU A 15 4.308 -5.057 7.423 1.00 60.30 O ATOM 209 CB GLU A 15 2.710 -7.947 7.994 1.00 14.14 C ATOM 210 CG GLU A 15 1.337 -7.284 7.865 1.00 63.40 C ATOM 211 CD GLU A 15 0.357 -7.801 8.936 1.00 13.25 C ATOM 212 OE1 GLU A 15 0.656 -7.743 10.147 1.00 21.12 O ATOM 213 OE2 GLU A 15 -0.739 -8.301 8.576 1.00 0.23 O ATOM 0 H GLU A 15 4.300 -9.365 6.887 1.00 43.03 H new ATOM 0 HA GLU A 15 3.281 -6.943 6.148 1.00 74.20 H new ATOM 0 HB2 GLU A 15 2.609 -9.016 7.806 1.00 14.14 H new ATOM 0 HB3 GLU A 15 3.065 -7.836 9.019 1.00 14.14 H new ATOM 0 HG2 GLU A 15 1.443 -6.203 7.959 1.00 63.40 H new ATOM 0 HG3 GLU A 15 0.929 -7.479 6.873 1.00 63.40 H new ATOM 218 N ASP A 16 5.429 -6.626 8.617 1.00 54.11 N ATOM 219 CA ASP A 16 6.096 -5.695 9.502 1.00 15.44 C ATOM 220 C ASP A 16 7.226 -4.944 8.794 1.00 0.41 C ATOM 221 O ASP A 16 7.679 -3.906 9.271 1.00 62.40 O ATOM 222 CB ASP A 16 6.581 -6.420 10.756 1.00 14.24 C ATOM 223 CG ASP A 16 6.301 -5.601 12.007 1.00 63.10 C ATOM 224 OD1 ASP A 16 5.107 -5.444 12.344 1.00 20.13 O ATOM 225 OD2 ASP A 16 7.275 -5.181 12.674 1.00 43.43 O ATOM 0 H ASP A 16 5.708 -7.598 8.750 1.00 54.11 H new ATOM 0 HA ASP A 16 5.376 -4.936 9.808 1.00 15.44 H new ATOM 0 HB2 ASP A 16 6.087 -7.388 10.834 1.00 14.24 H new ATOM 0 HB3 ASP A 16 7.651 -6.614 10.677 1.00 14.24 H new ATOM 229 N ASP A 17 7.668 -5.436 7.631 1.00 55.10 N ATOM 230 CA ASP A 17 8.654 -4.765 6.783 1.00 23.32 C ATOM 231 C ASP A 17 8.027 -3.499 6.199 1.00 71.54 C ATOM 232 O ASP A 17 8.532 -2.395 6.383 1.00 23.45 O ATOM 233 CB ASP A 17 9.167 -5.707 5.681 1.00 32.23 C ATOM 234 CG ASP A 17 10.555 -5.283 5.198 1.00 43.00 C ATOM 235 OD1 ASP A 17 10.679 -4.194 4.603 1.00 20.23 O ATOM 236 OD2 ASP A 17 11.521 -6.053 5.430 1.00 14.25 O ATOM 0 H ASP A 17 7.345 -6.325 7.249 1.00 55.10 H new ATOM 0 HA ASP A 17 9.520 -4.485 7.382 1.00 23.32 H new ATOM 0 HB2 ASP A 17 9.206 -6.728 6.060 1.00 32.23 H new ATOM 0 HB3 ASP A 17 8.470 -5.705 4.843 1.00 32.23 H new ATOM 240 N ILE A 18 6.832 -3.636 5.605 1.00 60.22 N ATOM 241 CA ILE A 18 6.040 -2.496 5.142 1.00 53.00 C ATOM 242 C ILE A 18 5.768 -1.557 6.315 1.00 23.51 C ATOM 243 O ILE A 18 5.925 -0.343 6.183 1.00 72.11 O ATOM 244 CB ILE A 18 4.730 -2.972 4.470 1.00 52.33 C ATOM 245 CG1 ILE A 18 5.079 -3.649 3.134 1.00 72.13 C ATOM 246 CG2 ILE A 18 3.708 -1.830 4.264 1.00 2.11 C ATOM 247 CD1 ILE A 18 3.873 -4.348 2.512 1.00 63.02 C ATOM 0 H ILE A 18 6.392 -4.540 5.434 1.00 60.22 H new ATOM 0 HA ILE A 18 6.602 -1.948 4.386 1.00 53.00 H new ATOM 0 HB ILE A 18 4.245 -3.684 5.137 1.00 52.33 H new ATOM 0 HG12 ILE A 18 5.463 -2.902 2.439 1.00 72.13 H new ATOM 0 HG13 ILE A 18 5.876 -4.375 3.293 1.00 72.13 H new ATOM 0 HG21 ILE A 18 2.811 -2.226 3.789 1.00 2.11 H new ATOM 0 HG22 ILE A 18 3.446 -1.397 5.230 1.00 2.11 H new ATOM 0 HG23 ILE A 18 4.146 -1.060 3.628 1.00 2.11 H new ATOM 0 HD11 ILE A 18 4.167 -4.812 1.570 1.00 63.02 H new ATOM 0 HD12 ILE A 18 3.505 -5.114 3.194 1.00 63.02 H new ATOM 0 HD13 ILE A 18 3.085 -3.618 2.327 1.00 63.02 H new ATOM 258 N ARG A 19 5.317 -2.097 7.450 1.00 60.12 N ATOM 259 CA ARG A 19 4.930 -1.267 8.588 1.00 32.15 C ATOM 260 C ARG A 19 6.135 -0.458 9.081 1.00 15.03 C ATOM 261 O ARG A 19 5.957 0.706 9.447 1.00 71.21 O ATOM 262 CB ARG A 19 4.285 -2.122 9.680 1.00 43.01 C ATOM 263 CG ARG A 19 2.904 -2.596 9.193 1.00 71.53 C ATOM 264 CD ARG A 19 2.479 -3.908 9.838 1.00 32.41 C ATOM 265 NE ARG A 19 1.750 -3.740 11.099 1.00 33.54 N ATOM 266 CZ ARG A 19 1.518 -4.744 11.951 1.00 1.01 C ATOM 267 NH1 ARG A 19 2.345 -5.784 12.015 1.00 44.00 N ATOM 268 NH2 ARG A 19 0.450 -4.707 12.731 1.00 21.41 N ATOM 0 H ARG A 19 5.212 -3.100 7.603 1.00 60.12 H new ATOM 0 HA ARG A 19 4.173 -0.546 8.279 1.00 32.15 H new ATOM 0 HB2 ARG A 19 4.918 -2.979 9.910 1.00 43.01 H new ATOM 0 HB3 ARG A 19 4.183 -1.545 10.599 1.00 43.01 H new ATOM 0 HG2 ARG A 19 2.161 -1.829 9.413 1.00 71.53 H new ATOM 0 HG3 ARG A 19 2.926 -2.717 8.110 1.00 71.53 H new ATOM 0 HD2 ARG A 19 1.852 -4.460 9.138 1.00 32.41 H new ATOM 0 HD3 ARG A 19 3.365 -4.516 10.020 1.00 32.41 H new ATOM 0 HE ARG A 19 1.403 -2.811 11.338 1.00 33.54 H new ATOM 0 HH11 ARG A 19 3.166 -5.821 11.410 1.00 44.00 H new ATOM 0 HH12 ARG A 19 2.158 -6.544 12.669 1.00 44.00 H new ATOM 0 HH21 ARG A 19 -0.191 -3.915 12.680 1.00 21.41 H new ATOM 0 HH22 ARG A 19 0.268 -5.470 13.383 1.00 21.41 H new ATOM 279 N GLY A 20 7.345 -1.016 9.023 1.00 41.41 N ATOM 280 CA GLY A 20 8.575 -0.331 9.390 1.00 12.32 C ATOM 281 C GLY A 20 9.114 0.586 8.294 1.00 42.41 C ATOM 282 O GLY A 20 9.784 1.568 8.619 1.00 54.13 O ATOM 0 H GLY A 20 7.495 -1.976 8.713 1.00 41.41 H new ATOM 0 HA2 GLY A 20 8.399 0.257 10.290 1.00 12.32 H new ATOM 0 HA3 GLY A 20 9.334 -1.073 9.638 1.00 12.32 H new ATOM 286 N GLN A 21 8.810 0.353 7.012 1.00 75.52 N ATOM 287 CA GLN A 21 9.120 1.305 5.952 1.00 60.53 C ATOM 288 C GLN A 21 8.302 2.565 6.226 1.00 25.55 C ATOM 289 O GLN A 21 8.827 3.674 6.195 1.00 1.34 O ATOM 290 CB GLN A 21 8.786 0.714 4.565 1.00 61.31 C ATOM 291 CG GLN A 21 9.944 -0.049 3.890 1.00 31.11 C ATOM 292 CD GLN A 21 10.647 0.786 2.813 1.00 50.12 C ATOM 293 OE1 GLN A 21 10.804 0.361 1.672 1.00 50.24 O ATOM 294 NE2 GLN A 21 11.049 2.011 3.117 1.00 45.21 N ATOM 0 H GLN A 21 8.346 -0.495 6.687 1.00 75.52 H new ATOM 0 HA GLN A 21 10.185 1.537 5.943 1.00 60.53 H new ATOM 0 HB2 GLN A 21 7.937 0.039 4.669 1.00 61.31 H new ATOM 0 HB3 GLN A 21 8.471 1.524 3.907 1.00 61.31 H new ATOM 0 HG2 GLN A 21 10.670 -0.345 4.647 1.00 31.11 H new ATOM 0 HG3 GLN A 21 9.559 -0.965 3.442 1.00 31.11 H new ATOM 0 HE21 GLN A 21 10.921 2.370 4.063 1.00 45.21 H new ATOM 0 HE22 GLN A 21 11.486 2.596 2.405 1.00 45.21 H new ATOM 301 N LEU A 22 7.014 2.392 6.522 1.00 73.11 N ATOM 302 CA LEU A 22 6.065 3.476 6.730 1.00 50.40 C ATOM 303 C LEU A 22 6.464 4.345 7.907 1.00 33.44 C ATOM 304 O LEU A 22 6.456 5.569 7.803 1.00 13.13 O ATOM 305 CB LEU A 22 4.667 2.891 6.959 1.00 24.45 C ATOM 306 CG LEU A 22 4.139 2.299 5.651 1.00 2.43 C ATOM 307 CD1 LEU A 22 3.058 1.274 5.904 1.00 60.10 C ATOM 308 CD2 LEU A 22 3.529 3.405 4.812 1.00 14.32 C ATOM 0 H LEU A 22 6.595 1.468 6.626 1.00 73.11 H new ATOM 0 HA LEU A 22 6.062 4.105 5.840 1.00 50.40 H new ATOM 0 HB2 LEU A 22 4.706 2.121 7.729 1.00 24.45 H new ATOM 0 HB3 LEU A 22 3.991 3.667 7.318 1.00 24.45 H new ATOM 0 HG LEU A 22 4.977 1.824 5.142 1.00 2.43 H new ATOM 0 HD11 LEU A 22 2.706 0.874 4.953 1.00 60.10 H new ATOM 0 HD12 LEU A 22 3.460 0.463 6.512 1.00 60.10 H new ATOM 0 HD13 LEU A 22 2.227 1.744 6.430 1.00 60.10 H new ATOM 0 HD21 LEU A 22 3.151 2.988 3.879 1.00 14.32 H new ATOM 0 HD22 LEU A 22 2.709 3.868 5.361 1.00 14.32 H new ATOM 0 HD23 LEU A 22 4.288 4.156 4.593 1.00 14.32 H new ATOM 319 N GLN A 23 6.834 3.722 9.022 1.00 64.21 N ATOM 320 CA GLN A 23 7.091 4.430 10.268 1.00 31.33 C ATOM 321 C GLN A 23 8.160 5.513 10.066 1.00 45.31 C ATOM 322 O GLN A 23 8.107 6.559 10.710 1.00 54.42 O ATOM 323 CB GLN A 23 7.379 3.401 11.359 1.00 14.01 C ATOM 324 CG GLN A 23 8.852 3.201 11.573 1.00 43.04 C ATOM 325 CD GLN A 23 9.169 2.169 12.645 1.00 64.12 C ATOM 326 OE1 GLN A 23 8.642 1.058 12.631 1.00 75.32 O ATOM 327 NE2 GLN A 23 10.043 2.508 13.570 1.00 61.43 N ATOM 0 H GLN A 23 6.964 2.712 9.085 1.00 64.21 H new ATOM 0 HA GLN A 23 6.218 4.990 10.604 1.00 31.33 H new ATOM 0 HB2 GLN A 23 6.918 3.724 12.292 1.00 14.01 H new ATOM 0 HB3 GLN A 23 6.920 2.450 11.090 1.00 14.01 H new ATOM 0 HG2 GLN A 23 9.310 2.891 10.634 1.00 43.04 H new ATOM 0 HG3 GLN A 23 9.305 4.153 11.850 1.00 43.04 H new ATOM 0 HE21 GLN A 23 10.465 3.437 13.557 1.00 61.43 H new ATOM 0 HE22 GLN A 23 10.298 1.842 14.299 1.00 61.43 H new ATOM 334 N SER A 24 9.099 5.258 9.155 1.00 64.12 N ATOM 335 CA SER A 24 10.207 6.117 8.807 1.00 44.34 C ATOM 336 C SER A 24 9.725 7.408 8.132 1.00 70.22 C ATOM 337 O SER A 24 10.360 8.448 8.286 1.00 43.30 O ATOM 338 CB SER A 24 11.099 5.283 7.880 1.00 1.33 C ATOM 339 OG SER A 24 12.432 5.760 7.857 1.00 25.45 O ATOM 0 H SER A 24 9.097 4.393 8.614 1.00 64.12 H new ATOM 0 HA SER A 24 10.756 6.444 9.690 1.00 44.34 H new ATOM 0 HB2 SER A 24 11.091 4.244 8.208 1.00 1.33 H new ATOM 0 HB3 SER A 24 10.690 5.301 6.870 1.00 1.33 H new ATOM 0 HG SER A 24 12.969 5.202 7.257 1.00 25.45 H new ATOM 344 N HIS A 25 8.598 7.380 7.409 1.00 22.11 N ATOM 345 CA HIS A 25 8.124 8.539 6.654 1.00 31.14 C ATOM 346 C HIS A 25 7.145 9.400 7.453 1.00 31.32 C ATOM 347 O HIS A 25 6.806 10.489 6.997 1.00 52.11 O ATOM 348 CB HIS A 25 7.477 8.078 5.346 1.00 24.13 C ATOM 349 CG HIS A 25 8.461 7.617 4.312 1.00 2.32 C ATOM 350 ND1 HIS A 25 8.993 8.380 3.298 1.00 71.24 N ATOM 351 CD2 HIS A 25 8.882 6.331 4.141 1.00 10.31 C ATOM 352 CE1 HIS A 25 9.717 7.559 2.517 1.00 73.34 C ATOM 353 NE2 HIS A 25 9.663 6.298 2.987 1.00 31.53 N ATOM 0 H HIS A 25 7.996 6.560 7.333 1.00 22.11 H new ATOM 0 HA HIS A 25 8.992 9.162 6.438 1.00 31.14 H new ATOM 0 HB2 HIS A 25 6.783 7.265 5.562 1.00 24.13 H new ATOM 0 HB3 HIS A 25 6.889 8.898 4.934 1.00 24.13 H new ATOM 0 HD2 HIS A 25 8.652 5.493 4.782 1.00 10.31 H new ATOM 0 HE1 HIS A 25 10.264 7.867 1.638 1.00 73.34 H new ATOM 0 HE2 HIS A 25 10.108 5.477 2.577 1.00 31.53 H new ATOM 360 N GLY A 26 6.654 8.909 8.596 1.00 54.41 N ATOM 361 CA GLY A 26 5.668 9.587 9.438 1.00 50.44 C ATOM 362 C GLY A 26 4.335 8.844 9.406 1.00 31.35 C ATOM 363 O GLY A 26 3.601 8.823 10.398 1.00 54.32 O ATOM 0 H GLY A 26 6.941 8.004 8.969 1.00 54.41 H new ATOM 0 HA2 GLY A 26 6.034 9.644 10.463 1.00 50.44 H new ATOM 0 HA3 GLY A 26 5.528 10.611 9.092 1.00 50.44 H new ATOM 367 N VAL A 27 4.095 8.104 8.325 1.00 1.32 N ATOM 368 CA VAL A 27 2.959 7.226 8.114 1.00 24.43 C ATOM 369 C VAL A 27 3.017 6.023 9.073 1.00 45.21 C ATOM 370 O VAL A 27 4.025 5.812 9.756 1.00 12.05 O ATOM 371 CB VAL A 27 2.900 6.844 6.613 1.00 73.10 C ATOM 372 CG1 VAL A 27 1.941 7.785 5.888 1.00 41.41 C ATOM 373 CG2 VAL A 27 4.190 6.903 5.791 1.00 51.42 C ATOM 0 H VAL A 27 4.731 8.106 7.528 1.00 1.32 H new ATOM 0 HA VAL A 27 2.023 7.732 8.353 1.00 24.43 H new ATOM 0 HB VAL A 27 2.606 5.796 6.664 1.00 73.10 H new ATOM 0 HG11 VAL A 27 1.898 7.518 4.832 1.00 41.41 H new ATOM 0 HG12 VAL A 27 0.946 7.698 6.325 1.00 41.41 H new ATOM 0 HG13 VAL A 27 2.293 8.812 5.989 1.00 41.41 H new ATOM 0 HG21 VAL A 27 3.980 6.607 4.763 1.00 51.42 H new ATOM 0 HG22 VAL A 27 4.583 7.920 5.803 1.00 51.42 H new ATOM 0 HG23 VAL A 27 4.927 6.224 6.221 1.00 51.42 H new ATOM 383 N GLN A 28 1.942 5.227 9.148 1.00 64.12 N ATOM 384 CA GLN A 28 1.853 4.101 10.081 1.00 74.53 C ATOM 385 C GLN A 28 1.525 2.758 9.410 1.00 53.23 C ATOM 386 O GLN A 28 2.027 1.742 9.890 1.00 43.04 O ATOM 387 CB GLN A 28 0.893 4.424 11.250 1.00 31.53 C ATOM 388 CG GLN A 28 -0.600 4.630 10.911 1.00 31.54 C ATOM 389 CD GLN A 28 -1.096 6.075 10.890 1.00 3.32 C ATOM 390 OE1 GLN A 28 -0.375 7.018 10.578 1.00 51.34 O ATOM 391 NE2 GLN A 28 -2.384 6.286 11.124 1.00 13.35 N ATOM 0 H GLN A 28 1.114 5.347 8.565 1.00 64.12 H new ATOM 0 HA GLN A 28 2.854 3.967 10.492 1.00 74.53 H new ATOM 0 HB2 GLN A 28 0.964 3.615 11.977 1.00 31.53 H new ATOM 0 HB3 GLN A 28 1.254 5.327 11.742 1.00 31.53 H new ATOM 0 HG2 GLN A 28 -0.793 4.188 9.934 1.00 31.54 H new ATOM 0 HG3 GLN A 28 -1.195 4.074 11.636 1.00 31.54 H new ATOM 0 HE21 GLN A 28 -2.989 5.507 11.384 1.00 13.35 H new ATOM 0 HE22 GLN A 28 -2.769 7.227 11.044 1.00 13.35 H new ATOM 398 N ALA A 29 0.759 2.757 8.305 1.00 31.43 N ATOM 399 CA ALA A 29 -0.251 1.744 7.958 1.00 4.53 C ATOM 400 C ALA A 29 -1.324 1.742 9.034 1.00 31.15 C ATOM 401 O ALA A 29 -0.988 1.530 10.199 1.00 1.22 O ATOM 402 CB ALA A 29 0.279 0.310 7.801 1.00 75.10 C ATOM 0 H ALA A 29 0.830 3.492 7.601 1.00 31.43 H new ATOM 0 HA ALA A 29 -0.630 2.031 6.977 1.00 4.53 H new ATOM 0 HB1 ALA A 29 -0.545 -0.356 7.546 1.00 75.10 H new ATOM 0 HB2 ALA A 29 1.027 0.283 7.008 1.00 75.10 H new ATOM 0 HB3 ALA A 29 0.732 -0.015 8.738 1.00 75.10 H new ATOM 408 N ARG A 30 -2.594 1.965 8.684 1.00 24.22 N ATOM 409 CA ARG A 30 -3.651 1.645 9.638 1.00 75.30 C ATOM 410 C ARG A 30 -4.014 0.184 9.438 1.00 34.35 C ATOM 411 O ARG A 30 -3.945 -0.586 10.388 1.00 3.15 O ATOM 412 CB ARG A 30 -4.858 2.590 9.519 1.00 1.45 C ATOM 413 CG ARG A 30 -5.619 2.680 10.860 1.00 71.41 C ATOM 414 CD ARG A 30 -7.036 2.118 10.797 1.00 44.21 C ATOM 415 NE ARG A 30 -7.737 2.300 12.078 1.00 54.52 N ATOM 416 CZ ARG A 30 -9.060 2.210 12.249 1.00 44.40 C ATOM 417 NH1 ARG A 30 -9.863 1.911 11.230 1.00 63.00 N ATOM 418 NH2 ARG A 30 -9.571 2.430 13.453 1.00 54.30 N ATOM 0 H ARG A 30 -2.903 2.347 7.790 1.00 24.22 H new ATOM 0 HA ARG A 30 -3.297 1.796 10.658 1.00 75.30 H new ATOM 0 HB2 ARG A 30 -4.520 3.582 9.220 1.00 1.45 H new ATOM 0 HB3 ARG A 30 -5.529 2.233 8.738 1.00 1.45 H new ATOM 0 HG2 ARG A 30 -5.057 2.142 11.624 1.00 71.41 H new ATOM 0 HG3 ARG A 30 -5.664 3.723 11.173 1.00 71.41 H new ATOM 0 HD2 ARG A 30 -7.592 2.614 10.001 1.00 44.21 H new ATOM 0 HD3 ARG A 30 -6.999 1.058 10.547 1.00 44.21 H new ATOM 0 HE ARG A 30 -7.170 2.511 12.899 1.00 54.52 H new ATOM 0 HH11 ARG A 30 -9.471 1.747 10.303 1.00 63.00 H new ATOM 0 HH12 ARG A 30 -10.870 1.846 11.377 1.00 63.00 H new ATOM 0 HH21 ARG A 30 -8.957 2.664 14.233 1.00 54.30 H new ATOM 0 HH22 ARG A 30 -10.578 2.365 13.599 1.00 54.30 H new ATOM 429 N GLU A 31 -4.298 -0.210 8.197 1.00 71.40 N ATOM 430 CA GLU A 31 -4.635 -1.570 7.842 1.00 54.32 C ATOM 431 C GLU A 31 -3.656 -2.012 6.770 1.00 13.23 C ATOM 432 O GLU A 31 -3.072 -1.180 6.073 1.00 14.54 O ATOM 433 CB GLU A 31 -6.077 -1.622 7.312 1.00 75.44 C ATOM 434 CG GLU A 31 -6.907 -2.628 8.104 1.00 11.55 C ATOM 435 CD GLU A 31 -7.232 -2.139 9.517 1.00 23.44 C ATOM 436 OE1 GLU A 31 -7.926 -1.110 9.643 1.00 12.24 O ATOM 437 OE2 GLU A 31 -6.857 -2.840 10.486 1.00 1.54 O ATOM 0 H GLU A 31 -4.298 0.428 7.401 1.00 71.40 H new ATOM 0 HA GLU A 31 -4.571 -2.231 8.706 1.00 54.32 H new ATOM 0 HB2 GLU A 31 -6.531 -0.634 7.382 1.00 75.44 H new ATOM 0 HB3 GLU A 31 -6.072 -1.897 6.257 1.00 75.44 H new ATOM 0 HG2 GLU A 31 -7.836 -2.828 7.570 1.00 11.55 H new ATOM 0 HG3 GLU A 31 -6.365 -3.572 8.166 1.00 11.55 H new ATOM 442 N VAL A 32 -3.499 -3.317 6.582 1.00 23.25 N ATOM 443 CA VAL A 32 -2.582 -3.852 5.584 1.00 2.15 C ATOM 444 C VAL A 32 -2.877 -5.317 5.267 1.00 20.45 C ATOM 445 O VAL A 32 -3.360 -6.082 6.100 1.00 63.43 O ATOM 446 CB VAL A 32 -1.114 -3.471 5.937 1.00 14.25 C ATOM 447 CG1 VAL A 32 -0.675 -3.613 7.391 1.00 3.31 C ATOM 448 CG2 VAL A 32 -0.067 -4.116 5.034 1.00 52.31 C ATOM 0 H VAL A 32 -4.000 -4.029 7.113 1.00 23.25 H new ATOM 0 HA VAL A 32 -2.747 -3.376 4.618 1.00 2.15 H new ATOM 0 HB VAL A 32 -1.158 -2.399 5.747 1.00 14.25 H new ATOM 0 HG11 VAL A 32 0.368 -3.313 7.487 1.00 3.31 H new ATOM 0 HG12 VAL A 32 -1.295 -2.977 8.022 1.00 3.31 H new ATOM 0 HG13 VAL A 32 -0.784 -4.651 7.704 1.00 3.31 H new ATOM 0 HG21 VAL A 32 0.928 -3.799 5.347 1.00 52.31 H new ATOM 0 HG22 VAL A 32 -0.142 -5.201 5.107 1.00 52.31 H new ATOM 0 HG23 VAL A 32 -0.238 -3.809 4.002 1.00 52.31 H new ATOM 458 N ARG A 33 -2.611 -5.693 4.018 1.00 23.13 N ATOM 459 CA ARG A 33 -2.768 -6.981 3.358 1.00 35.42 C ATOM 460 C ARG A 33 -1.507 -7.424 2.622 1.00 35.02 C ATOM 461 O ARG A 33 -1.479 -7.498 1.391 1.00 11.24 O ATOM 462 CB ARG A 33 -4.135 -7.125 2.648 1.00 71.05 C ATOM 463 CG ARG A 33 -4.928 -5.864 2.289 1.00 54.51 C ATOM 464 CD ARG A 33 -6.218 -6.219 1.528 1.00 62.01 C ATOM 465 NE ARG A 33 -7.233 -5.154 1.645 1.00 44.34 N ATOM 466 CZ ARG A 33 -7.996 -4.907 2.723 1.00 60.04 C ATOM 467 NH1 ARG A 33 -7.946 -5.714 3.771 1.00 1.13 N ATOM 468 NH2 ARG A 33 -8.798 -3.855 2.772 1.00 31.35 N ATOM 0 H ARG A 33 -2.231 -5.009 3.363 1.00 23.13 H new ATOM 0 HA ARG A 33 -2.847 -7.760 4.116 1.00 35.42 H new ATOM 0 HB2 ARG A 33 -3.968 -7.681 1.726 1.00 71.05 H new ATOM 0 HB3 ARG A 33 -4.771 -7.743 3.282 1.00 71.05 H new ATOM 0 HG2 ARG A 33 -5.177 -5.316 3.198 1.00 54.51 H new ATOM 0 HG3 ARG A 33 -4.312 -5.204 1.678 1.00 54.51 H new ATOM 0 HD2 ARG A 33 -5.986 -6.386 0.476 1.00 62.01 H new ATOM 0 HD3 ARG A 33 -6.624 -7.153 1.917 1.00 62.01 H new ATOM 0 HE ARG A 33 -7.367 -4.551 0.834 1.00 44.34 H new ATOM 0 HH11 ARG A 33 -7.327 -6.525 3.761 1.00 1.13 H new ATOM 0 HH12 ARG A 33 -8.526 -5.525 4.588 1.00 1.13 H new ATOM 0 HH21 ARG A 33 -8.845 -3.213 1.981 1.00 31.35 H new ATOM 0 HH22 ARG A 33 -9.369 -3.687 3.601 1.00 31.35 H new ATOM 479 N LEU A 34 -0.450 -7.733 3.389 1.00 15.12 N ATOM 480 CA LEU A 34 0.788 -8.287 2.863 1.00 21.12 C ATOM 481 C LEU A 34 0.592 -9.762 2.540 1.00 63.44 C ATOM 482 O LEU A 34 -0.315 -10.411 3.054 1.00 71.41 O ATOM 483 CB LEU A 34 1.898 -8.089 3.921 1.00 12.53 C ATOM 484 CG LEU A 34 3.371 -8.227 3.469 1.00 35.02 C ATOM 485 CD1 LEU A 34 3.993 -9.623 3.618 1.00 72.03 C ATOM 486 CD2 LEU A 34 3.606 -7.672 2.073 1.00 75.30 C ATOM 0 H LEU A 34 -0.440 -7.601 4.400 1.00 15.12 H new ATOM 0 HA LEU A 34 1.077 -7.779 1.943 1.00 21.12 H new ATOM 0 HB2 LEU A 34 1.774 -7.096 4.352 1.00 12.53 H new ATOM 0 HB3 LEU A 34 1.727 -8.808 4.722 1.00 12.53 H new ATOM 0 HG LEU A 34 3.906 -7.608 4.189 1.00 35.02 H new ATOM 0 HD11 LEU A 34 5.026 -9.600 3.271 1.00 72.03 H new ATOM 0 HD12 LEU A 34 3.969 -9.922 4.666 1.00 72.03 H new ATOM 0 HD13 LEU A 34 3.426 -10.339 3.023 1.00 72.03 H new ATOM 0 HD21 LEU A 34 4.655 -7.794 1.805 1.00 75.30 H new ATOM 0 HD22 LEU A 34 2.984 -8.210 1.358 1.00 75.30 H new ATOM 0 HD23 LEU A 34 3.347 -6.613 2.054 1.00 75.30 H new ATOM 616 N ARG A 44 0.272 -12.862 -3.544 1.00 15.44 N ATOM 617 CA ARG A 44 0.227 -12.772 -5.022 1.00 11.41 C ATOM 618 C ARG A 44 1.453 -12.088 -5.674 1.00 54.22 C ATOM 619 O ARG A 44 1.447 -11.950 -6.901 1.00 44.54 O ATOM 620 CB ARG A 44 -1.096 -12.155 -5.534 1.00 21.02 C ATOM 621 CG ARG A 44 -2.125 -13.229 -5.950 1.00 4.43 C ATOM 622 CD ARG A 44 -3.568 -12.723 -5.802 1.00 31.31 C ATOM 623 NE ARG A 44 -4.338 -12.877 -7.052 1.00 40.15 N ATOM 624 CZ ARG A 44 -5.639 -13.189 -7.172 1.00 71.12 C ATOM 625 NH1 ARG A 44 -6.450 -13.214 -6.119 1.00 40.42 N ATOM 626 NH2 ARG A 44 -6.160 -13.451 -8.365 1.00 23.22 N ATOM 0 HA ARG A 44 0.271 -13.811 -5.349 1.00 11.41 H new ATOM 0 HB2 ARG A 44 -1.526 -11.526 -4.754 1.00 21.02 H new ATOM 0 HB3 ARG A 44 -0.886 -11.508 -6.386 1.00 21.02 H new ATOM 0 HG2 ARG A 44 -1.947 -13.522 -6.985 1.00 4.43 H new ATOM 0 HG3 ARG A 44 -1.988 -14.121 -5.338 1.00 4.43 H new ATOM 0 HD2 ARG A 44 -4.064 -13.271 -5.001 1.00 31.31 H new ATOM 0 HD3 ARG A 44 -3.556 -11.673 -5.510 1.00 31.31 H new ATOM 0 HE ARG A 44 -3.825 -12.730 -7.921 1.00 40.15 H new ATOM 0 HH11 ARG A 44 -6.088 -12.993 -5.191 1.00 40.42 H new ATOM 0 HH12 ARG A 44 -7.434 -13.454 -6.239 1.00 40.42 H new ATOM 0 HH21 ARG A 44 -5.571 -13.416 -9.197 1.00 23.22 H new ATOM 0 HH22 ARG A 44 -7.149 -13.687 -8.449 1.00 23.22 H new ATOM 637 N GLY A 45 2.478 -11.622 -4.945 1.00 71.12 N ATOM 638 CA GLY A 45 3.591 -10.866 -5.527 1.00 11.30 C ATOM 639 C GLY A 45 3.349 -9.363 -5.500 1.00 15.53 C ATOM 640 O GLY A 45 4.097 -8.596 -6.114 1.00 20.01 O ATOM 0 H GLY A 45 2.556 -11.760 -3.937 1.00 71.12 H new ATOM 0 HA2 GLY A 45 4.506 -11.094 -4.981 1.00 11.30 H new ATOM 0 HA3 GLY A 45 3.746 -11.188 -6.557 1.00 11.30 H new ATOM 644 N PHE A 46 2.312 -8.941 -4.778 1.00 4.12 N ATOM 645 CA PHE A 46 2.034 -7.568 -4.442 1.00 21.33 C ATOM 646 C PHE A 46 1.422 -7.518 -3.049 1.00 0.45 C ATOM 647 O PHE A 46 1.049 -8.542 -2.473 1.00 32.35 O ATOM 648 CB PHE A 46 1.103 -6.938 -5.498 1.00 42.14 C ATOM 649 CG PHE A 46 -0.087 -7.774 -5.937 1.00 41.30 C ATOM 650 CD1 PHE A 46 -1.199 -7.938 -5.090 1.00 0.12 C ATOM 651 CD2 PHE A 46 -0.097 -8.368 -7.214 1.00 31.32 C ATOM 652 CE1 PHE A 46 -2.315 -8.676 -5.523 1.00 71.32 C ATOM 653 CE2 PHE A 46 -1.218 -9.093 -7.652 1.00 73.42 C ATOM 654 CZ PHE A 46 -2.335 -9.238 -6.812 1.00 32.13 C ATOM 0 H PHE A 46 1.618 -9.586 -4.400 1.00 4.12 H new ATOM 0 HA PHE A 46 2.956 -6.987 -4.439 1.00 21.33 H new ATOM 0 HB2 PHE A 46 0.729 -5.993 -5.103 1.00 42.14 H new ATOM 0 HB3 PHE A 46 1.698 -6.702 -6.380 1.00 42.14 H new ATOM 0 HD1 PHE A 46 -1.195 -7.496 -4.105 1.00 0.12 H new ATOM 0 HD2 PHE A 46 0.762 -8.266 -7.860 1.00 31.32 H new ATOM 0 HE1 PHE A 46 -3.159 -8.812 -4.864 1.00 71.32 H new ATOM 0 HE2 PHE A 46 -1.221 -9.539 -8.635 1.00 73.42 H new ATOM 0 HZ PHE A 46 -3.205 -9.779 -7.155 1.00 32.13 H new ATOM 663 N ALA A 47 1.305 -6.297 -2.546 1.00 23.15 N ATOM 664 CA ALA A 47 0.833 -5.891 -1.239 1.00 24.45 C ATOM 665 C ALA A 47 -0.246 -4.839 -1.402 1.00 40.13 C ATOM 666 O ALA A 47 -0.371 -4.254 -2.476 1.00 73.41 O ATOM 667 CB ALA A 47 2.009 -5.273 -0.490 1.00 44.50 C ATOM 0 H ALA A 47 1.567 -5.486 -3.106 1.00 23.15 H new ATOM 0 HA ALA A 47 0.430 -6.746 -0.697 1.00 24.45 H new ATOM 0 HB1 ALA A 47 1.683 -4.957 0.501 1.00 44.50 H new ATOM 0 HB2 ALA A 47 2.806 -6.010 -0.392 1.00 44.50 H new ATOM 0 HB3 ALA A 47 2.379 -4.410 -1.043 1.00 44.50 H new ATOM 673 N PHE A 48 -0.967 -4.561 -0.324 1.00 12.24 N ATOM 674 CA PHE A 48 -2.006 -3.556 -0.230 1.00 12.31 C ATOM 675 C PHE A 48 -1.933 -3.035 1.209 1.00 55.51 C ATOM 676 O PHE A 48 -2.383 -3.711 2.128 1.00 13.32 O ATOM 677 CB PHE A 48 -3.355 -4.228 -0.526 1.00 1.51 C ATOM 678 CG PHE A 48 -3.799 -4.351 -1.972 1.00 11.35 C ATOM 679 CD1 PHE A 48 -3.393 -5.437 -2.772 1.00 54.21 C ATOM 680 CD2 PHE A 48 -4.744 -3.443 -2.478 1.00 72.03 C ATOM 681 CE1 PHE A 48 -3.926 -5.598 -4.067 1.00 35.05 C ATOM 682 CE2 PHE A 48 -5.272 -3.596 -3.772 1.00 2.34 C ATOM 683 CZ PHE A 48 -4.867 -4.680 -4.567 1.00 20.04 C ATOM 0 H PHE A 48 -0.831 -5.061 0.555 1.00 12.24 H new ATOM 0 HA PHE A 48 -1.888 -2.735 -0.937 1.00 12.31 H new ATOM 0 HB2 PHE A 48 -3.326 -5.231 -0.101 1.00 1.51 H new ATOM 0 HB3 PHE A 48 -4.126 -3.676 0.012 1.00 1.51 H new ATOM 0 HD1 PHE A 48 -2.673 -6.147 -2.393 1.00 54.21 H new ATOM 0 HD2 PHE A 48 -5.069 -2.616 -1.864 1.00 72.03 H new ATOM 0 HE1 PHE A 48 -3.610 -6.430 -4.678 1.00 35.05 H new ATOM 0 HE2 PHE A 48 -5.987 -2.882 -4.153 1.00 2.34 H new ATOM 0 HZ PHE A 48 -5.276 -4.808 -5.558 1.00 20.04 H new ATOM 692 N VAL A 49 -1.311 -1.885 1.451 1.00 34.32 N ATOM 693 CA VAL A 49 -1.495 -1.158 2.720 1.00 22.13 C ATOM 694 C VAL A 49 -2.681 -0.225 2.547 1.00 52.53 C ATOM 695 O VAL A 49 -2.850 0.270 1.432 1.00 10.34 O ATOM 696 CB VAL A 49 -0.200 -0.404 3.067 1.00 2.25 C ATOM 697 CG1 VAL A 49 0.204 0.733 2.148 1.00 32.12 C ATOM 698 CG2 VAL A 49 -0.189 0.144 4.493 1.00 33.44 C ATOM 0 H VAL A 49 -0.676 -1.431 0.794 1.00 34.32 H new ATOM 0 HA VAL A 49 -1.701 -1.835 3.549 1.00 22.13 H new ATOM 0 HB VAL A 49 0.532 -1.201 2.936 1.00 2.25 H new ATOM 0 HG11 VAL A 49 1.132 1.178 2.506 1.00 32.12 H new ATOM 0 HG12 VAL A 49 0.351 0.350 1.138 1.00 32.12 H new ATOM 0 HG13 VAL A 49 -0.581 1.490 2.139 1.00 32.12 H new ATOM 0 HG21 VAL A 49 0.751 0.665 4.675 1.00 33.44 H new ATOM 0 HG22 VAL A 49 -1.019 0.838 4.622 1.00 33.44 H new ATOM 0 HG23 VAL A 49 -0.291 -0.679 5.200 1.00 33.44 H new ATOM 708 N GLU A 50 -3.449 0.074 3.594 1.00 15.43 N ATOM 709 CA GLU A 50 -4.361 1.191 3.551 1.00 25.33 C ATOM 710 C GLU A 50 -4.374 2.004 4.841 1.00 2.34 C ATOM 711 O GLU A 50 -3.861 1.626 5.899 1.00 31.33 O ATOM 712 CB GLU A 50 -5.716 0.772 2.990 1.00 43.50 C ATOM 713 CG GLU A 50 -6.619 -0.134 3.796 1.00 11.31 C ATOM 714 CD GLU A 50 -7.829 -0.690 3.041 1.00 22.44 C ATOM 715 OE1 GLU A 50 -7.650 -1.368 2.006 1.00 71.13 O ATOM 716 OE2 GLU A 50 -8.974 -0.542 3.528 1.00 2.35 O ATOM 0 H GLU A 50 -3.450 -0.445 4.472 1.00 15.43 H new ATOM 0 HA GLU A 50 -3.987 1.920 2.833 1.00 25.33 H new ATOM 0 HB2 GLU A 50 -6.276 1.683 2.779 1.00 43.50 H new ATOM 0 HB3 GLU A 50 -5.534 0.281 2.034 1.00 43.50 H new ATOM 0 HG2 GLU A 50 -6.028 -0.971 4.169 1.00 11.31 H new ATOM 0 HG3 GLU A 50 -6.976 0.417 4.666 1.00 11.31 H new ATOM 721 N PHE A 51 -4.822 3.239 4.665 1.00 42.20 N ATOM 722 CA PHE A 51 -4.478 4.405 5.460 1.00 51.20 C ATOM 723 C PHE A 51 -5.769 5.075 5.904 1.00 54.50 C ATOM 724 O PHE A 51 -6.750 5.120 5.157 1.00 73.22 O ATOM 725 CB PHE A 51 -3.673 5.418 4.606 1.00 21.02 C ATOM 726 CG PHE A 51 -2.205 5.152 4.300 1.00 4.21 C ATOM 727 CD1 PHE A 51 -1.618 3.871 4.290 1.00 63.34 C ATOM 728 CD2 PHE A 51 -1.420 6.258 3.940 1.00 71.04 C ATOM 729 CE1 PHE A 51 -0.263 3.713 3.967 1.00 23.35 C ATOM 730 CE2 PHE A 51 -0.057 6.095 3.639 1.00 42.50 C ATOM 731 CZ PHE A 51 0.524 4.823 3.662 1.00 73.23 C ATOM 0 H PHE A 51 -5.476 3.465 3.916 1.00 42.20 H new ATOM 0 HA PHE A 51 -3.877 4.096 6.315 1.00 51.20 H new ATOM 0 HB2 PHE A 51 -4.190 5.522 3.652 1.00 21.02 H new ATOM 0 HB3 PHE A 51 -3.731 6.384 5.107 1.00 21.02 H new ATOM 0 HD1 PHE A 51 -2.216 3.005 4.533 1.00 63.34 H new ATOM 0 HD2 PHE A 51 -1.866 7.241 3.894 1.00 71.04 H new ATOM 0 HE1 PHE A 51 0.174 2.725 3.954 1.00 23.35 H new ATOM 0 HE2 PHE A 51 0.545 6.956 3.389 1.00 42.50 H new ATOM 0 HZ PHE A 51 1.575 4.701 3.445 1.00 73.23 H new ATOM 740 N SER A 52 -5.738 5.690 7.079 1.00 30.31 N ATOM 741 CA SER A 52 -6.907 6.334 7.637 1.00 73.02 C ATOM 742 C SER A 52 -7.107 7.746 7.057 1.00 11.22 C ATOM 743 O SER A 52 -8.236 8.240 7.054 1.00 73.02 O ATOM 744 CB SER A 52 -6.713 6.335 9.152 1.00 50.31 C ATOM 745 OG SER A 52 -7.930 6.551 9.825 1.00 74.34 O ATOM 0 H SER A 52 -4.905 5.753 7.664 1.00 30.31 H new ATOM 0 HA SER A 52 -7.820 5.798 7.377 1.00 73.02 H new ATOM 0 HB2 SER A 52 -6.286 5.383 9.466 1.00 50.31 H new ATOM 0 HB3 SER A 52 -6.000 7.111 9.429 1.00 50.31 H new ATOM 0 HG SER A 52 -7.774 6.545 10.793 1.00 74.34 H new ATOM 750 N HIS A 53 -6.049 8.398 6.547 1.00 51.50 N ATOM 751 CA HIS A 53 -6.045 9.857 6.337 1.00 32.34 C ATOM 752 C HIS A 53 -6.315 10.282 4.891 1.00 12.31 C ATOM 753 O HIS A 53 -6.662 11.438 4.667 1.00 52.31 O ATOM 754 CB HIS A 53 -4.704 10.455 6.798 1.00 73.21 C ATOM 755 CG HIS A 53 -4.310 10.015 8.193 1.00 45.34 C ATOM 756 ND1 HIS A 53 -4.639 10.650 9.364 1.00 31.35 N ATOM 757 CD2 HIS A 53 -3.608 8.889 8.531 1.00 33.13 C ATOM 758 CE1 HIS A 53 -4.119 9.941 10.378 1.00 2.42 C ATOM 759 NE2 HIS A 53 -3.514 8.830 9.928 1.00 24.02 N ATOM 0 H HIS A 53 -5.182 7.936 6.271 1.00 51.50 H new ATOM 0 HA HIS A 53 -6.870 10.243 6.936 1.00 32.34 H new ATOM 0 HB2 HIS A 53 -3.922 10.164 6.096 1.00 73.21 H new ATOM 0 HB3 HIS A 53 -4.769 11.543 6.770 1.00 73.21 H new ATOM 0 HD1 HIS A 53 -5.183 11.509 9.449 1.00 31.35 H new ATOM 0 HD2 HIS A 53 -3.197 8.169 7.839 1.00 33.13 H new ATOM 0 HE1 HIS A 53 -4.179 10.226 11.418 1.00 2.42 H new ATOM 766 N LEU A 54 -6.125 9.388 3.907 1.00 24.02 N ATOM 767 CA LEU A 54 -6.273 9.612 2.455 1.00 34.22 C ATOM 768 C LEU A 54 -5.261 10.609 1.853 1.00 24.14 C ATOM 769 O LEU A 54 -4.805 10.421 0.728 1.00 32.22 O ATOM 770 CB LEU A 54 -7.748 9.960 2.161 1.00 31.44 C ATOM 771 CG LEU A 54 -8.180 9.835 0.689 1.00 62.13 C ATOM 772 CD1 LEU A 54 -9.637 9.367 0.627 1.00 65.23 C ATOM 773 CD2 LEU A 54 -8.070 11.152 -0.088 1.00 30.35 C ATOM 0 H LEU A 54 -5.847 8.429 4.114 1.00 24.02 H new ATOM 0 HA LEU A 54 -6.017 8.687 1.938 1.00 34.22 H new ATOM 0 HB2 LEU A 54 -8.383 9.311 2.764 1.00 31.44 H new ATOM 0 HB3 LEU A 54 -7.934 10.982 2.490 1.00 31.44 H new ATOM 0 HG LEU A 54 -7.503 9.117 0.226 1.00 62.13 H new ATOM 0 HD11 LEU A 54 -9.946 9.277 -0.414 1.00 65.23 H new ATOM 0 HD12 LEU A 54 -9.729 8.398 1.118 1.00 65.23 H new ATOM 0 HD13 LEU A 54 -10.274 10.092 1.134 1.00 65.23 H new ATOM 0 HD21 LEU A 54 -8.389 10.994 -1.118 1.00 30.35 H new ATOM 0 HD22 LEU A 54 -8.707 11.904 0.378 1.00 30.35 H new ATOM 0 HD23 LEU A 54 -7.036 11.495 -0.077 1.00 30.35 H new ATOM 784 N GLN A 55 -4.842 11.615 2.612 1.00 53.31 N ATOM 785 CA GLN A 55 -3.775 12.558 2.324 1.00 12.44 C ATOM 786 C GLN A 55 -2.413 11.870 2.395 1.00 53.23 C ATOM 787 O GLN A 55 -1.515 12.107 1.588 1.00 11.45 O ATOM 788 CB GLN A 55 -3.889 13.660 3.389 1.00 11.33 C ATOM 789 CG GLN A 55 -2.773 14.712 3.396 1.00 11.52 C ATOM 790 CD GLN A 55 -1.701 14.454 4.449 1.00 62.22 C ATOM 791 OE1 GLN A 55 -0.640 13.753 4.097 1.00 42.32 O flip ATOM 792 NE2 GLN A 55 -1.828 14.885 5.590 1.00 3.54 N flip ATOM 0 H GLN A 55 -5.276 11.805 3.515 1.00 53.31 H new ATOM 0 HA GLN A 55 -3.864 12.968 1.318 1.00 12.44 H new ATOM 0 HB2 GLN A 55 -4.842 14.172 3.252 1.00 11.33 H new ATOM 0 HB3 GLN A 55 -3.920 13.186 4.370 1.00 11.33 H new ATOM 0 HG2 GLN A 55 -2.305 14.740 2.412 1.00 11.52 H new ATOM 0 HG3 GLN A 55 -3.212 15.695 3.569 1.00 11.52 H new ATOM 0 HE21 GLN A 55 -2.656 15.425 5.842 1.00 3.54 H new ATOM 0 HE22 GLN A 55 -1.106 14.704 6.287 1.00 3.54 H new ATOM 799 N ASP A 56 -2.230 11.034 3.413 1.00 32.43 N ATOM 800 CA ASP A 56 -0.927 10.457 3.734 1.00 30.12 C ATOM 801 C ASP A 56 -0.493 9.451 2.674 1.00 63.21 C ATOM 802 O ASP A 56 0.705 9.208 2.526 1.00 41.52 O ATOM 803 CB ASP A 56 -0.991 9.787 5.111 1.00 63.34 C ATOM 804 CG ASP A 56 -0.680 10.717 6.288 1.00 52.43 C ATOM 805 OD1 ASP A 56 -0.115 11.817 6.092 1.00 13.25 O ATOM 806 OD2 ASP A 56 -1.049 10.326 7.417 1.00 30.11 O ATOM 0 H ASP A 56 -2.979 10.737 4.038 1.00 32.43 H new ATOM 0 HA ASP A 56 -0.187 11.257 3.753 1.00 30.12 H new ATOM 0 HB2 ASP A 56 -1.987 9.367 5.250 1.00 63.34 H new ATOM 0 HB3 ASP A 56 -0.289 8.954 5.128 1.00 63.34 H new ATOM 810 N ALA A 57 -1.449 8.905 1.909 1.00 53.33 N ATOM 811 CA ALA A 57 -1.197 7.943 0.848 1.00 52.24 C ATOM 812 C ALA A 57 -0.249 8.584 -0.159 1.00 21.02 C ATOM 813 O ALA A 57 0.756 7.989 -0.539 1.00 64.20 O ATOM 814 CB ALA A 57 -2.518 7.514 0.215 1.00 22.35 C ATOM 0 H ALA A 57 -2.438 9.130 2.020 1.00 53.33 H new ATOM 0 HA ALA A 57 -0.727 7.040 1.238 1.00 52.24 H new ATOM 0 HB1 ALA A 57 -2.324 6.793 -0.579 1.00 22.35 H new ATOM 0 HB2 ALA A 57 -3.153 7.056 0.973 1.00 22.35 H new ATOM 0 HB3 ALA A 57 -3.022 8.386 -0.202 1.00 22.35 H new ATOM 820 N THR A 58 -0.536 9.835 -0.517 1.00 61.34 N ATOM 821 CA THR A 58 0.266 10.635 -1.413 1.00 3.51 C ATOM 822 C THR A 58 1.676 10.804 -0.855 1.00 70.31 C ATOM 823 O THR A 58 2.647 10.656 -1.584 1.00 61.14 O ATOM 824 CB THR A 58 -0.380 12.016 -1.493 1.00 2.51 C ATOM 825 OG1 THR A 58 -1.794 11.976 -1.493 1.00 13.15 O ATOM 826 CG2 THR A 58 0.071 12.847 -2.673 1.00 12.12 C ATOM 0 H THR A 58 -1.362 10.326 -0.175 1.00 61.34 H new ATOM 0 HA THR A 58 0.323 10.153 -2.389 1.00 3.51 H new ATOM 0 HB THR A 58 -0.031 12.497 -0.579 1.00 2.51 H new ATOM 0 HG1 THR A 58 -2.098 11.140 -1.904 1.00 13.15 H new ATOM 0 HG21 THR A 58 -0.436 13.812 -2.654 1.00 12.12 H new ATOM 0 HG22 THR A 58 1.148 13.002 -2.618 1.00 12.12 H new ATOM 0 HG23 THR A 58 -0.174 12.327 -3.599 1.00 12.12 H new ATOM 834 N ARG A 59 1.800 11.142 0.434 1.00 3.45 N ATOM 835 CA ARG A 59 3.075 11.558 1.001 1.00 65.32 C ATOM 836 C ARG A 59 4.086 10.422 0.919 1.00 3.22 C ATOM 837 O ARG A 59 5.228 10.644 0.528 1.00 61.31 O ATOM 838 CB ARG A 59 2.873 12.092 2.419 1.00 23.45 C ATOM 839 CG ARG A 59 4.143 12.802 2.916 1.00 11.34 C ATOM 840 CD ARG A 59 3.773 13.864 3.950 1.00 53.50 C ATOM 841 NE ARG A 59 3.230 15.092 3.335 1.00 52.54 N ATOM 842 CZ ARG A 59 2.468 16.004 3.956 1.00 62.34 C ATOM 843 NH1 ARG A 59 2.076 15.796 5.205 1.00 24.11 N ATOM 844 NH2 ARG A 59 2.105 17.118 3.326 1.00 54.33 N ATOM 0 H ARG A 59 1.027 11.133 1.100 1.00 3.45 H new ATOM 0 HA ARG A 59 3.489 12.380 0.417 1.00 65.32 H new ATOM 0 HB2 ARG A 59 2.032 12.785 2.436 1.00 23.45 H new ATOM 0 HB3 ARG A 59 2.623 11.271 3.090 1.00 23.45 H new ATOM 0 HG2 ARG A 59 4.827 12.077 3.356 1.00 11.34 H new ATOM 0 HG3 ARG A 59 4.664 13.264 2.077 1.00 11.34 H new ATOM 0 HD2 ARG A 59 3.037 13.452 4.641 1.00 53.50 H new ATOM 0 HD3 ARG A 59 4.656 14.116 4.538 1.00 53.50 H new ATOM 0 HE ARG A 59 3.454 15.261 2.354 1.00 52.54 H new ATOM 0 HH11 ARG A 59 2.354 14.944 5.692 1.00 24.11 H new ATOM 0 HH12 ARG A 59 1.496 16.488 5.680 1.00 24.11 H new ATOM 0 HH21 ARG A 59 2.406 17.282 2.365 1.00 54.33 H new ATOM 0 HH22 ARG A 59 1.525 17.808 3.803 1.00 54.33 H new ATOM 855 N TRP A 60 3.662 9.197 1.237 1.00 10.55 N ATOM 856 CA TRP A 60 4.539 8.042 1.116 1.00 32.01 C ATOM 857 C TRP A 60 4.928 7.787 -0.343 1.00 21.24 C ATOM 858 O TRP A 60 6.060 7.390 -0.615 1.00 73.11 O ATOM 859 CB TRP A 60 3.860 6.809 1.722 1.00 72.21 C ATOM 860 CG TRP A 60 4.770 5.647 2.002 1.00 5.54 C ATOM 861 CD1 TRP A 60 6.011 5.727 2.533 1.00 41.03 C ATOM 862 CD2 TRP A 60 4.526 4.223 1.807 1.00 5.43 C ATOM 863 NE1 TRP A 60 6.547 4.464 2.679 1.00 42.30 N ATOM 864 CE2 TRP A 60 5.655 3.493 2.285 1.00 64.04 C ATOM 865 CE3 TRP A 60 3.432 3.474 1.331 1.00 25.43 C ATOM 866 CZ2 TRP A 60 5.683 2.091 2.312 1.00 54.43 C ATOM 867 CZ3 TRP A 60 3.459 2.067 1.339 1.00 13.34 C ATOM 868 CH2 TRP A 60 4.567 1.375 1.852 1.00 45.20 C ATOM 0 H TRP A 60 2.724 8.985 1.577 1.00 10.55 H new ATOM 0 HA TRP A 60 5.457 8.248 1.666 1.00 32.01 H new ATOM 0 HB2 TRP A 60 3.376 7.102 2.653 1.00 72.21 H new ATOM 0 HB3 TRP A 60 3.073 6.478 1.044 1.00 72.21 H new ATOM 0 HD1 TRP A 60 6.510 6.646 2.803 1.00 41.03 H new ATOM 0 HE1 TRP A 60 7.484 4.274 3.034 1.00 42.30 H new ATOM 0 HE3 TRP A 60 2.560 3.987 0.954 1.00 25.43 H new ATOM 0 HZ2 TRP A 60 6.553 1.569 2.682 1.00 54.43 H new ATOM 0 HZ3 TRP A 60 2.618 1.514 0.946 1.00 13.34 H new ATOM 0 HH2 TRP A 60 4.561 0.296 1.893 1.00 45.20 H new ATOM 878 N MET A 61 3.995 8.004 -1.275 1.00 25.44 N ATOM 879 CA MET A 61 4.201 7.809 -2.702 1.00 1.53 C ATOM 880 C MET A 61 5.302 8.731 -3.226 1.00 64.40 C ATOM 881 O MET A 61 6.321 8.247 -3.726 1.00 61.30 O ATOM 882 CB MET A 61 2.885 8.036 -3.462 1.00 4.35 C ATOM 883 CG MET A 61 1.870 6.904 -3.262 1.00 74.23 C ATOM 884 SD MET A 61 1.459 5.951 -4.747 1.00 64.11 S ATOM 885 CE MET A 61 0.898 7.336 -5.776 1.00 30.33 C ATOM 0 H MET A 61 3.055 8.328 -1.046 1.00 25.44 H new ATOM 0 HA MET A 61 4.524 6.781 -2.869 1.00 1.53 H new ATOM 0 HB2 MET A 61 2.441 8.976 -3.134 1.00 4.35 H new ATOM 0 HB3 MET A 61 3.100 8.139 -4.526 1.00 4.35 H new ATOM 0 HG2 MET A 61 2.260 6.219 -2.509 1.00 74.23 H new ATOM 0 HG3 MET A 61 0.951 7.331 -2.860 1.00 74.23 H new ATOM 0 HE1 MET A 61 0.140 6.985 -6.476 1.00 30.33 H new ATOM 0 HE2 MET A 61 0.473 8.113 -5.140 1.00 30.33 H new ATOM 0 HE3 MET A 61 1.743 7.743 -6.331 1.00 30.33 H new ATOM 893 N GLU A 62 5.100 10.047 -3.140 1.00 25.13 N ATOM 894 CA GLU A 62 6.007 11.042 -3.712 1.00 43.23 C ATOM 895 C GLU A 62 7.410 10.905 -3.126 1.00 1.44 C ATOM 896 O GLU A 62 8.410 10.953 -3.839 1.00 50.44 O ATOM 897 CB GLU A 62 5.451 12.459 -3.503 1.00 53.22 C ATOM 898 CG GLU A 62 5.194 12.863 -2.044 1.00 12.51 C ATOM 899 CD GLU A 62 4.780 14.325 -1.883 1.00 5.15 C ATOM 900 OE1 GLU A 62 5.486 15.214 -2.408 1.00 24.35 O ATOM 901 OE2 GLU A 62 3.749 14.601 -1.222 1.00 24.01 O ATOM 0 H GLU A 62 4.294 10.455 -2.667 1.00 25.13 H new ATOM 0 HA GLU A 62 6.081 10.863 -4.785 1.00 43.23 H new ATOM 0 HB2 GLU A 62 6.149 13.172 -3.941 1.00 53.22 H new ATOM 0 HB3 GLU A 62 4.516 12.548 -4.056 1.00 53.22 H new ATOM 0 HG2 GLU A 62 4.414 12.224 -1.630 1.00 12.51 H new ATOM 0 HG3 GLU A 62 6.097 12.682 -1.460 1.00 12.51 H new ATOM 906 N ALA A 63 7.466 10.674 -1.817 1.00 50.52 N ATOM 907 CA ALA A 63 8.708 10.594 -1.058 1.00 24.14 C ATOM 908 C ALA A 63 9.532 9.379 -1.453 1.00 64.10 C ATOM 909 O ALA A 63 10.763 9.436 -1.378 1.00 22.15 O ATOM 910 CB ALA A 63 8.408 10.570 0.444 1.00 4.32 C ATOM 0 H ALA A 63 6.633 10.535 -1.245 1.00 50.52 H new ATOM 0 HA ALA A 63 9.298 11.480 -1.291 1.00 24.14 H new ATOM 0 HB1 ALA A 63 9.343 10.510 1.001 1.00 4.32 H new ATOM 0 HB2 ALA A 63 7.877 11.480 0.724 1.00 4.32 H new ATOM 0 HB3 ALA A 63 7.790 9.703 0.678 1.00 4.32 H new ATOM 916 N ASN A 64 8.878 8.297 -1.874 1.00 13.11 N ATOM 917 CA ASN A 64 9.564 7.134 -2.415 1.00 44.44 C ATOM 918 C ASN A 64 9.749 7.248 -3.918 1.00 44.30 C ATOM 919 O ASN A 64 10.351 6.360 -4.508 1.00 52.44 O ATOM 920 CB ASN A 64 8.837 5.840 -2.039 1.00 42.24 C ATOM 921 CG ASN A 64 9.169 5.512 -0.602 1.00 21.42 C ATOM 922 OD1 ASN A 64 10.236 4.989 -0.306 1.00 13.02 O ATOM 923 ND2 ASN A 64 8.302 5.866 0.323 1.00 11.01 N ATOM 0 H ASN A 64 7.862 8.206 -1.848 1.00 13.11 H new ATOM 0 HA ASN A 64 10.557 7.099 -1.967 1.00 44.44 H new ATOM 0 HB2 ASN A 64 7.761 5.959 -2.163 1.00 42.24 H new ATOM 0 HB3 ASN A 64 9.145 5.026 -2.696 1.00 42.24 H new ATOM 0 HD21 ASN A 64 8.513 5.706 1.308 1.00 11.01 H new ATOM 0 HD22 ASN A 64 7.419 6.300 0.055 1.00 11.01 H new ATOM 929 N GLN A 65 9.251 8.305 -4.572 1.00 33.13 N ATOM 930 CA GLN A 65 9.345 8.471 -6.021 1.00 24.12 C ATOM 931 C GLN A 65 8.659 7.266 -6.669 1.00 70.34 C ATOM 932 O GLN A 65 9.152 6.663 -7.625 1.00 62.41 O ATOM 933 CB GLN A 65 10.813 8.652 -6.462 1.00 24.25 C ATOM 934 CG GLN A 65 11.620 9.684 -5.653 1.00 34.01 C ATOM 935 CD GLN A 65 13.099 9.337 -5.725 1.00 50.51 C ATOM 936 OE1 GLN A 65 13.786 9.730 -6.667 1.00 31.43 O ATOM 937 NE2 GLN A 65 13.616 8.602 -4.758 1.00 50.31 N ATOM 0 H GLN A 65 8.769 9.072 -4.104 1.00 33.13 H new ATOM 0 HA GLN A 65 8.837 9.378 -6.348 1.00 24.12 H new ATOM 0 HB2 GLN A 65 11.317 7.688 -6.395 1.00 24.25 H new ATOM 0 HB3 GLN A 65 10.826 8.946 -7.511 1.00 24.25 H new ATOM 0 HG2 GLN A 65 11.450 10.686 -6.048 1.00 34.01 H new ATOM 0 HG3 GLN A 65 11.287 9.690 -4.615 1.00 34.01 H new ATOM 0 HE21 GLN A 65 13.028 8.287 -3.987 1.00 50.31 H new ATOM 0 HE22 GLN A 65 14.604 8.349 -4.782 1.00 50.31 H new ATOM 944 N HIS A 66 7.543 6.864 -6.053 1.00 5.42 N ATOM 945 CA HIS A 66 6.740 5.706 -6.402 1.00 4.32 C ATOM 946 C HIS A 66 7.509 4.378 -6.391 1.00 61.32 C ATOM 947 O HIS A 66 7.016 3.407 -6.974 1.00 13.11 O ATOM 948 CB HIS A 66 6.031 5.944 -7.743 1.00 50.30 C ATOM 949 CG HIS A 66 5.279 7.246 -7.842 1.00 54.14 C ATOM 950 ND1 HIS A 66 4.942 7.869 -9.021 1.00 10.42 N ATOM 951 CD2 HIS A 66 4.812 8.020 -6.811 1.00 52.10 C ATOM 952 CE1 HIS A 66 4.232 8.966 -8.705 1.00 61.44 C ATOM 953 NE2 HIS A 66 4.123 9.096 -7.371 1.00 70.01 N ATOM 0 H HIS A 66 7.162 7.371 -5.255 1.00 5.42 H new ATOM 0 HA HIS A 66 5.994 5.596 -5.615 1.00 4.32 H new ATOM 0 HB2 HIS A 66 6.773 5.908 -8.541 1.00 50.30 H new ATOM 0 HB3 HIS A 66 5.334 5.125 -7.919 1.00 50.30 H new ATOM 0 HD2 HIS A 66 4.952 7.831 -5.757 1.00 52.10 H new ATOM 0 HE1 HIS A 66 3.807 9.650 -9.425 1.00 61.44 H new ATOM 0 HE2 HIS A 66 3.633 9.836 -6.868 1.00 70.01 H new ATOM 960 N SER A 67 8.696 4.307 -5.779 1.00 64.33 N ATOM 961 CA SER A 67 9.558 3.137 -5.846 1.00 33.25 C ATOM 962 C SER A 67 10.187 2.879 -4.468 1.00 32.44 C ATOM 963 O SER A 67 11.075 3.599 -4.014 1.00 23.12 O ATOM 964 CB SER A 67 10.624 3.318 -6.932 1.00 64.12 C ATOM 965 OG SER A 67 10.169 4.067 -8.063 1.00 70.00 O ATOM 0 H SER A 67 9.082 5.069 -5.221 1.00 64.33 H new ATOM 0 HA SER A 67 8.965 2.264 -6.117 1.00 33.25 H new ATOM 0 HB2 SER A 67 11.490 3.819 -6.499 1.00 64.12 H new ATOM 0 HB3 SER A 67 10.959 2.337 -7.268 1.00 64.12 H new ATOM 0 HG SER A 67 9.963 4.984 -7.787 1.00 70.00 H new ATOM 970 N LEU A 68 9.677 1.873 -3.763 1.00 4.42 N ATOM 971 CA LEU A 68 10.230 1.431 -2.473 1.00 2.13 C ATOM 972 C LEU A 68 11.358 0.439 -2.732 1.00 74.54 C ATOM 973 O LEU A 68 11.548 -0.013 -3.868 1.00 25.45 O ATOM 974 CB LEU A 68 9.184 0.735 -1.589 1.00 52.12 C ATOM 975 CG LEU A 68 8.063 1.636 -1.064 1.00 5.35 C ATOM 976 CD1 LEU A 68 6.828 0.771 -0.830 1.00 3.43 C ATOM 977 CD2 LEU A 68 8.457 2.295 0.257 1.00 51.10 C ATOM 0 H LEU A 68 8.865 1.335 -4.066 1.00 4.42 H new ATOM 0 HA LEU A 68 10.581 2.321 -1.951 1.00 2.13 H new ATOM 0 HB2 LEU A 68 8.736 -0.079 -2.158 1.00 52.12 H new ATOM 0 HB3 LEU A 68 9.694 0.285 -0.737 1.00 52.12 H new ATOM 0 HG LEU A 68 7.867 2.420 -1.795 1.00 5.35 H new ATOM 0 HD11 LEU A 68 6.015 1.392 -0.455 1.00 3.43 H new ATOM 0 HD12 LEU A 68 6.526 0.306 -1.768 1.00 3.43 H new ATOM 0 HD13 LEU A 68 7.060 -0.004 -0.099 1.00 3.43 H new ATOM 0 HD21 LEU A 68 7.641 2.929 0.605 1.00 51.10 H new ATOM 0 HD22 LEU A 68 8.661 1.525 1.001 1.00 51.10 H new ATOM 0 HD23 LEU A 68 9.350 2.902 0.109 1.00 51.10 H new ATOM 988 N ASN A 69 12.050 0.029 -1.669 1.00 25.15 N ATOM 989 CA ASN A 69 13.146 -0.921 -1.769 1.00 34.21 C ATOM 990 C ASN A 69 13.130 -1.852 -0.573 1.00 64.44 C ATOM 991 O ASN A 69 13.556 -1.454 0.510 1.00 33.41 O ATOM 992 CB ASN A 69 14.480 -0.175 -1.930 1.00 4.04 C ATOM 993 CG ASN A 69 15.605 -1.041 -2.489 1.00 31.31 C ATOM 994 OD1 ASN A 69 15.330 -1.914 -3.444 1.00 50.03 O flip ATOM 995 ND2 ASN A 69 16.767 -0.914 -2.116 1.00 62.32 N flip ATOM 0 H ASN A 69 11.863 0.348 -0.718 1.00 25.15 H new ATOM 0 HA ASN A 69 13.024 -1.540 -2.658 1.00 34.21 H new ATOM 0 HB2 ASN A 69 14.330 0.680 -2.589 1.00 4.04 H new ATOM 0 HB3 ASN A 69 14.785 0.219 -0.961 1.00 4.04 H new ATOM 0 HD21 ASN A 69 16.996 -0.245 -1.381 1.00 62.32 H new ATOM 0 HD22 ASN A 69 17.504 -1.477 -2.541 1.00 62.32 H new ATOM 1001 N ILE A 70 12.607 -3.065 -0.759 1.00 0.41 N ATOM 1002 CA ILE A 70 12.567 -4.090 0.272 1.00 2.35 C ATOM 1003 C ILE A 70 13.269 -5.315 -0.314 1.00 4.04 C ATOM 1004 O ILE A 70 13.025 -5.668 -1.474 1.00 52.30 O ATOM 1005 CB ILE A 70 11.101 -4.333 0.695 1.00 53.03 C ATOM 1006 CG1 ILE A 70 10.414 -3.056 1.222 1.00 75.30 C ATOM 1007 CG2 ILE A 70 10.974 -5.471 1.708 1.00 13.11 C ATOM 1008 CD1 ILE A 70 9.454 -2.476 0.179 1.00 42.23 C ATOM 0 H ILE A 70 12.195 -3.362 -1.644 1.00 0.41 H new ATOM 0 HA ILE A 70 13.084 -3.806 1.188 1.00 2.35 H new ATOM 0 HB ILE A 70 10.578 -4.632 -0.213 1.00 53.03 H new ATOM 0 HG12 ILE A 70 9.867 -3.285 2.137 1.00 75.30 H new ATOM 0 HG13 ILE A 70 11.169 -2.313 1.479 1.00 75.30 H new ATOM 0 HG21 ILE A 70 9.926 -5.605 1.975 1.00 13.11 H new ATOM 0 HG22 ILE A 70 11.357 -6.393 1.270 1.00 13.11 H new ATOM 0 HG23 ILE A 70 11.548 -5.228 2.602 1.00 13.11 H new ATOM 0 HD11 ILE A 70 8.984 -1.577 0.577 1.00 42.23 H new ATOM 0 HD12 ILE A 70 10.008 -2.226 -0.726 1.00 42.23 H new ATOM 0 HD13 ILE A 70 8.686 -3.212 -0.058 1.00 42.23 H new ATOM 1019 N LEU A 71 14.165 -5.941 0.457 1.00 51.23 N ATOM 1020 CA LEU A 71 15.030 -7.059 0.055 1.00 0.33 C ATOM 1021 C LEU A 71 15.726 -6.755 -1.280 1.00 44.33 C ATOM 1022 O LEU A 71 15.904 -7.618 -2.145 1.00 34.31 O ATOM 1023 CB LEU A 71 14.292 -8.416 0.073 1.00 12.01 C ATOM 1024 CG LEU A 71 14.012 -8.986 1.482 1.00 11.23 C ATOM 1025 CD1 LEU A 71 12.841 -8.298 2.164 1.00 35.13 C ATOM 1026 CD2 LEU A 71 13.628 -10.465 1.403 1.00 74.30 C ATOM 0 H LEU A 71 14.315 -5.669 1.428 1.00 51.23 H new ATOM 0 HA LEU A 71 15.816 -7.162 0.803 1.00 0.33 H new ATOM 0 HB2 LEU A 71 13.344 -8.304 -0.453 1.00 12.01 H new ATOM 0 HB3 LEU A 71 14.883 -9.142 -0.486 1.00 12.01 H new ATOM 0 HG LEU A 71 14.932 -8.827 2.045 1.00 11.23 H new ATOM 0 HD11 LEU A 71 12.686 -8.735 3.150 1.00 35.13 H new ATOM 0 HD12 LEU A 71 13.055 -7.234 2.268 1.00 35.13 H new ATOM 0 HD13 LEU A 71 11.941 -8.430 1.563 1.00 35.13 H new ATOM 0 HD21 LEU A 71 13.435 -10.845 2.406 1.00 74.30 H new ATOM 0 HD22 LEU A 71 12.730 -10.576 0.795 1.00 74.30 H new ATOM 0 HD23 LEU A 71 14.444 -11.029 0.952 1.00 74.30 H new ATOM 1037 N GLY A 72 16.079 -5.485 -1.484 1.00 54.13 N ATOM 1038 CA GLY A 72 16.810 -5.022 -2.646 1.00 1.34 C ATOM 1039 C GLY A 72 15.977 -4.920 -3.924 1.00 75.30 C ATOM 1040 O GLY A 72 16.440 -4.288 -4.873 1.00 11.24 O ATOM 0 H GLY A 72 15.855 -4.739 -0.826 1.00 54.13 H new ATOM 0 HA2 GLY A 72 17.234 -4.042 -2.425 1.00 1.34 H new ATOM 0 HA3 GLY A 72 17.646 -5.698 -2.826 1.00 1.34 H new ATOM 1044 N GLN A 73 14.745 -5.439 -3.976 1.00 20.52 N ATOM 1045 CA GLN A 73 13.877 -5.272 -5.134 1.00 42.33 C ATOM 1046 C GLN A 73 13.380 -3.838 -5.147 1.00 32.05 C ATOM 1047 O GLN A 73 12.956 -3.311 -4.118 1.00 53.44 O ATOM 1048 CB GLN A 73 12.698 -6.248 -5.072 1.00 20.34 C ATOM 1049 CG GLN A 73 13.032 -7.570 -5.771 1.00 11.33 C ATOM 1050 CD GLN A 73 12.268 -8.760 -5.215 1.00 2.32 C ATOM 1051 OE1 GLN A 73 12.923 -9.583 -4.416 1.00 43.41 O flip ATOM 1052 NE2 GLN A 73 11.097 -8.972 -5.508 1.00 31.33 N flip ATOM 0 H GLN A 73 14.329 -5.982 -3.219 1.00 20.52 H new ATOM 0 HA GLN A 73 14.431 -5.485 -6.048 1.00 42.33 H new ATOM 0 HB2 GLN A 73 12.437 -6.440 -4.031 1.00 20.34 H new ATOM 0 HB3 GLN A 73 11.824 -5.796 -5.542 1.00 20.34 H new ATOM 0 HG2 GLN A 73 12.815 -7.474 -6.835 1.00 11.33 H new ATOM 0 HG3 GLN A 73 14.101 -7.760 -5.680 1.00 11.33 H new ATOM 0 HE21 GLN A 73 10.602 -8.329 -6.126 1.00 31.33 H new ATOM 0 HE22 GLN A 73 10.618 -9.791 -5.134 1.00 31.33 H new ATOM 1059 N LYS A 74 13.445 -3.201 -6.310 1.00 62.03 N ATOM 1060 CA LYS A 74 12.771 -1.934 -6.558 1.00 2.21 C ATOM 1061 C LYS A 74 11.304 -2.290 -6.743 1.00 54.24 C ATOM 1062 O LYS A 74 10.943 -2.922 -7.732 1.00 3.44 O ATOM 1063 CB LYS A 74 13.365 -1.236 -7.799 1.00 73.42 C ATOM 1064 CG LYS A 74 12.593 0.035 -8.210 1.00 63.40 C ATOM 1065 CD LYS A 74 13.107 0.645 -9.525 1.00 64.10 C ATOM 1066 CE LYS A 74 14.400 1.451 -9.354 1.00 10.25 C ATOM 1067 NZ LYS A 74 15.152 1.576 -10.622 1.00 23.25 N ATOM 0 H LYS A 74 13.970 -3.551 -7.111 1.00 62.03 H new ATOM 0 HA LYS A 74 12.898 -1.227 -5.738 1.00 2.21 H new ATOM 0 HB2 LYS A 74 14.403 -0.973 -7.598 1.00 73.42 H new ATOM 0 HB3 LYS A 74 13.370 -1.936 -8.634 1.00 73.42 H new ATOM 0 HG2 LYS A 74 11.535 -0.206 -8.316 1.00 63.40 H new ATOM 0 HG3 LYS A 74 12.673 0.776 -7.415 1.00 63.40 H new ATOM 0 HD2 LYS A 74 13.278 -0.154 -10.246 1.00 64.10 H new ATOM 0 HD3 LYS A 74 12.336 1.292 -9.943 1.00 64.10 H new ATOM 0 HE2 LYS A 74 14.159 2.445 -8.977 1.00 10.25 H new ATOM 0 HE3 LYS A 74 15.030 0.970 -8.606 1.00 10.25 H new ATOM 0 HZ1 LYS A 74 16.018 2.128 -10.459 1.00 23.25 H new ATOM 0 HZ2 LYS A 74 15.405 0.629 -10.970 1.00 23.25 H new ATOM 0 HZ3 LYS A 74 14.562 2.059 -11.329 1.00 23.25 H new ATOM 1077 N VAL A 75 10.490 -1.952 -5.761 1.00 65.31 N ATOM 1078 CA VAL A 75 9.049 -2.127 -5.781 1.00 31.15 C ATOM 1079 C VAL A 75 8.466 -0.962 -6.598 1.00 10.55 C ATOM 1080 O VAL A 75 9.133 0.063 -6.766 1.00 65.21 O ATOM 1081 CB VAL A 75 8.603 -2.141 -4.305 1.00 25.13 C ATOM 1082 CG1 VAL A 75 7.124 -2.407 -4.029 1.00 74.10 C ATOM 1083 CG2 VAL A 75 9.367 -3.212 -3.512 1.00 2.55 C ATOM 0 H VAL A 75 10.826 -1.532 -4.894 1.00 65.31 H new ATOM 0 HA VAL A 75 8.705 -3.050 -6.248 1.00 31.15 H new ATOM 0 HB VAL A 75 8.818 -1.118 -3.996 1.00 25.13 H new ATOM 0 HG11 VAL A 75 6.946 -2.390 -2.954 1.00 74.10 H new ATOM 0 HG12 VAL A 75 6.520 -1.637 -4.510 1.00 74.10 H new ATOM 0 HG13 VAL A 75 6.850 -3.384 -4.426 1.00 74.10 H new ATOM 0 HG21 VAL A 75 9.035 -3.202 -2.474 1.00 2.55 H new ATOM 0 HG22 VAL A 75 9.173 -4.193 -3.946 1.00 2.55 H new ATOM 0 HG23 VAL A 75 10.436 -3.002 -3.553 1.00 2.55 H new ATOM 1093 N SER A 76 7.215 -1.062 -7.047 1.00 63.40 N ATOM 1094 CA SER A 76 6.424 0.085 -7.507 1.00 44.12 C ATOM 1095 C SER A 76 5.176 0.240 -6.637 1.00 52.23 C ATOM 1096 O SER A 76 4.697 -0.760 -6.105 1.00 13.41 O ATOM 1097 CB SER A 76 6.034 -0.103 -8.973 1.00 34.04 C ATOM 1098 OG SER A 76 7.170 -0.025 -9.812 1.00 2.52 O ATOM 0 H SER A 76 6.715 -1.949 -7.103 1.00 63.40 H new ATOM 0 HA SER A 76 7.024 0.991 -7.421 1.00 44.12 H new ATOM 0 HB2 SER A 76 5.547 -1.069 -9.103 1.00 34.04 H new ATOM 0 HB3 SER A 76 5.311 0.660 -9.262 1.00 34.04 H new ATOM 0 HG SER A 76 6.897 -0.150 -10.745 1.00 2.52 H new ATOM 1103 N MET A 77 4.638 1.458 -6.490 1.00 71.41 N ATOM 1104 CA MET A 77 3.439 1.724 -5.690 1.00 53.44 C ATOM 1105 C MET A 77 2.411 2.562 -6.444 1.00 22.31 C ATOM 1106 O MET A 77 2.775 3.396 -7.278 1.00 65.10 O ATOM 1107 CB MET A 77 3.782 2.369 -4.345 1.00 10.53 C ATOM 1108 CG MET A 77 4.530 3.701 -4.461 1.00 1.25 C ATOM 1109 SD MET A 77 5.905 3.943 -3.303 1.00 53.32 S ATOM 1110 CE MET A 77 5.026 4.028 -1.720 1.00 42.11 C ATOM 0 H MET A 77 5.028 2.293 -6.928 1.00 71.41 H new ATOM 0 HA MET A 77 2.986 0.753 -5.492 1.00 53.44 H new ATOM 0 HB2 MET A 77 2.860 2.530 -3.786 1.00 10.53 H new ATOM 0 HB3 MET A 77 4.389 1.673 -3.765 1.00 10.53 H new ATOM 0 HG2 MET A 77 4.916 3.791 -5.476 1.00 1.25 H new ATOM 0 HG3 MET A 77 3.814 4.511 -4.319 1.00 1.25 H new ATOM 0 HE1 MET A 77 5.710 4.367 -0.942 1.00 42.11 H new ATOM 0 HE2 MET A 77 4.194 4.728 -1.803 1.00 42.11 H new ATOM 0 HE3 MET A 77 4.644 3.040 -1.462 1.00 42.11 H new ATOM 1118 N HIS A 78 1.133 2.326 -6.131 1.00 44.43 N ATOM 1119 CA HIS A 78 -0.008 2.691 -6.961 1.00 43.34 C ATOM 1120 C HIS A 78 -1.216 3.036 -6.076 1.00 43.34 C ATOM 1121 O HIS A 78 -1.377 2.469 -4.993 1.00 52.21 O ATOM 1122 CB HIS A 78 -0.324 1.464 -7.842 1.00 12.35 C ATOM 1123 CG HIS A 78 0.863 1.011 -8.659 1.00 44.33 C ATOM 1124 ND1 HIS A 78 1.433 1.700 -9.706 1.00 23.21 N ATOM 1125 CD2 HIS A 78 1.665 -0.064 -8.384 1.00 74.44 C ATOM 1126 CE1 HIS A 78 2.550 1.050 -10.065 1.00 31.05 C ATOM 1127 NE2 HIS A 78 2.714 -0.054 -9.312 1.00 30.33 N ATOM 0 H HIS A 78 0.861 1.861 -5.265 1.00 44.43 H new ATOM 0 HA HIS A 78 0.213 3.565 -7.573 1.00 43.34 H new ATOM 0 HB2 HIS A 78 -0.658 0.643 -7.208 1.00 12.35 H new ATOM 0 HB3 HIS A 78 -1.150 1.706 -8.511 1.00 12.35 H new ATOM 0 HD1 HIS A 78 1.070 2.553 -10.133 1.00 23.21 H new ATOM 0 HD2 HIS A 78 1.516 -0.787 -7.596 1.00 74.44 H new ATOM 0 HE1 HIS A 78 3.223 1.367 -10.848 1.00 31.05 H new ATOM 1134 N TYR A 79 -2.096 3.925 -6.548 1.00 31.03 N ATOM 1135 CA TYR A 79 -3.411 4.232 -6.000 1.00 4.44 C ATOM 1136 C TYR A 79 -4.445 3.249 -6.564 1.00 14.31 C ATOM 1137 O TYR A 79 -5.302 3.606 -7.373 1.00 52.31 O ATOM 1138 CB TYR A 79 -3.797 5.686 -6.347 1.00 72.22 C ATOM 1139 CG TYR A 79 -3.349 6.789 -5.412 1.00 51.23 C ATOM 1140 CD1 TYR A 79 -2.316 6.621 -4.465 1.00 12.22 C ATOM 1141 CD2 TYR A 79 -4.093 7.983 -5.442 1.00 1.52 C ATOM 1142 CE1 TYR A 79 -2.108 7.610 -3.488 1.00 24.01 C ATOM 1143 CE2 TYR A 79 -3.905 8.958 -4.456 1.00 73.40 C ATOM 1144 CZ TYR A 79 -2.928 8.759 -3.464 1.00 24.04 C ATOM 1145 OH TYR A 79 -2.846 9.639 -2.440 1.00 73.42 O ATOM 0 H TYR A 79 -1.890 4.483 -7.377 1.00 31.03 H new ATOM 0 HA TYR A 79 -3.387 4.131 -4.915 1.00 4.44 H new ATOM 0 HB2 TYR A 79 -3.400 5.908 -7.338 1.00 72.22 H new ATOM 0 HB3 TYR A 79 -4.883 5.733 -6.421 1.00 72.22 H new ATOM 0 HD1 TYR A 79 -1.691 5.741 -4.491 1.00 12.22 H new ATOM 0 HD2 TYR A 79 -4.813 8.148 -6.230 1.00 1.52 H new ATOM 0 HE1 TYR A 79 -1.322 7.491 -2.757 1.00 24.01 H new ATOM 0 HE2 TYR A 79 -4.505 9.856 -4.457 1.00 73.40 H new ATOM 0 HH TYR A 79 -3.744 9.824 -2.095 1.00 73.42 H new ATOM 1154 N SER A 80 -4.419 2.008 -6.101 1.00 12.25 N ATOM 1155 CA SER A 80 -5.536 1.071 -6.155 1.00 63.14 C ATOM 1156 C SER A 80 -6.590 1.509 -5.123 1.00 41.24 C ATOM 1157 O SER A 80 -6.557 1.067 -3.978 1.00 70.34 O ATOM 1158 CB SER A 80 -4.988 -0.332 -5.845 1.00 54.54 C ATOM 1159 OG SER A 80 -5.306 -1.245 -6.873 1.00 63.41 O ATOM 0 H SER A 80 -3.590 1.609 -5.661 1.00 12.25 H new ATOM 0 HA SER A 80 -6.008 1.055 -7.137 1.00 63.14 H new ATOM 0 HB2 SER A 80 -3.906 -0.283 -5.721 1.00 54.54 H new ATOM 0 HB3 SER A 80 -5.401 -0.686 -4.901 1.00 54.54 H new ATOM 0 HG SER A 80 -4.944 -2.128 -6.650 1.00 63.41 H new