USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=14 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 -53:sc= 0.418 USER MOD Set 1.2: A 79 TYR OH : rot -124:sc= 0.188 USER MOD Set 2.1: A 28 GLN : amide:sc= 0.673 K(o=0.58,f=-4.2!) USER MOD Set 2.2: A 53 HIS : no HD1:sc= -0.0882 X(o=0.58,f=0.67) USER MOD Set 3.1: A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0.901 K(o=0.9,f=0.076) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.24) USER MOD Single : A 14 THR OG1 : rot -58:sc= 1.28 USER MOD Single : A 21 GLN : amide:sc= -0.503 X(o=-0.5,f=-0.5) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS :FLIP no HD1:sc= -1.53 F(o=-3.7!,f=-1.5) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0804 USER MOD Single : A 55 GLN : amide:sc= 0.387 K(o=0.39,f=-0.77) USER MOD Single : A 61 MET CE :methyl -161:sc= -0.0306 (180deg=-0.598) USER MOD Single : A 64 ASN : amide:sc= 0.468 K(o=0.47,f=-0.52) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.087 X(o=-0.087,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.544 K(o=0.54,f=-1.7!) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.3 F(o=-1.6!,f=-0.3) USER MOD Single : A 74 LYS NZ :NH3+ 163:sc= -0.313 (180deg=-0.736) USER MOD Single : A 77 MET CE :methyl -151:sc= -0.263 (180deg=-1.12) USER MOD Single : A 78 HIS : no HE2:sc= -1.71 K(o=-1.7,f=-2.9!) USER MOD Single : A 80 SER OG : rot 138:sc= 0.451 USER MOD ----------------------------------------------------------------- ATOM 11 N ASN A 2 -4.701 8.079 -0.880 1.00 1.10 N ATOM 12 CA ASN A 2 -4.389 7.653 0.485 1.00 10.50 C ATOM 13 C ASN A 2 -4.160 6.148 0.566 1.00 50.45 C ATOM 14 O ASN A 2 -4.129 5.611 1.666 1.00 73.42 O ATOM 15 CB ASN A 2 -5.511 8.037 1.461 1.00 61.01 C ATOM 16 CG ASN A 2 -6.738 7.135 1.346 1.00 70.02 C ATOM 17 OD1 ASN A 2 -7.331 7.041 0.274 1.00 21.43 O ATOM 18 ND2 ASN A 2 -7.131 6.461 2.410 1.00 73.22 N ATOM 0 HA ASN A 2 -3.471 8.169 0.767 1.00 10.50 H new ATOM 0 HB2 ASN A 2 -5.129 7.992 2.481 1.00 61.01 H new ATOM 0 HB3 ASN A 2 -5.808 9.070 1.277 1.00 61.01 H new ATOM 0 HD21 ASN A 2 -7.943 5.846 2.353 1.00 73.22 H new ATOM 0 HD22 ASN A 2 -6.623 6.555 3.290 1.00 73.22 H new ATOM 24 N ILE A 3 -4.004 5.462 -0.566 1.00 22.23 N ATOM 25 CA ILE A 3 -3.550 4.084 -0.569 1.00 33.12 C ATOM 26 C ILE A 3 -2.227 4.091 -1.307 1.00 5.44 C ATOM 27 O ILE A 3 -2.139 4.768 -2.339 1.00 62.34 O ATOM 28 CB ILE A 3 -4.596 3.126 -1.193 1.00 71.24 C ATOM 29 CG1 ILE A 3 -5.972 3.282 -0.499 1.00 2.33 C ATOM 30 CG2 ILE A 3 -4.141 1.654 -1.156 1.00 72.34 C ATOM 31 CD1 ILE A 3 -7.054 2.333 -1.029 1.00 2.40 C ATOM 0 H ILE A 3 -4.188 5.846 -1.493 1.00 22.23 H new ATOM 0 HA ILE A 3 -3.419 3.701 0.443 1.00 33.12 H new ATOM 0 HB ILE A 3 -4.694 3.409 -2.241 1.00 71.24 H new ATOM 0 HG12 ILE A 3 -5.848 3.113 0.571 1.00 2.33 H new ATOM 0 HG13 ILE A 3 -6.314 4.310 -0.622 1.00 2.33 H new ATOM 0 HG21 ILE A 3 -4.909 1.024 -1.605 1.00 72.34 H new ATOM 0 HG22 ILE A 3 -3.211 1.546 -1.715 1.00 72.34 H new ATOM 0 HG23 ILE A 3 -3.980 1.349 -0.122 1.00 72.34 H new ATOM 0 HD11 ILE A 3 -7.986 2.507 -0.491 1.00 2.40 H new ATOM 0 HD12 ILE A 3 -7.210 2.516 -2.092 1.00 2.40 H new ATOM 0 HD13 ILE A 3 -6.737 1.301 -0.881 1.00 2.40 H new ATOM 42 N VAL A 4 -1.249 3.290 -0.879 1.00 21.51 N ATOM 43 CA VAL A 4 -0.063 3.056 -1.697 1.00 74.32 C ATOM 44 C VAL A 4 -0.041 1.556 -1.985 1.00 23.34 C ATOM 45 O VAL A 4 -0.273 0.753 -1.077 1.00 30.11 O ATOM 46 CB VAL A 4 1.183 3.643 -1.012 1.00 30.44 C ATOM 47 CG1 VAL A 4 2.361 3.649 -1.978 1.00 71.41 C ATOM 48 CG2 VAL A 4 0.946 5.077 -0.515 1.00 2.23 C ATOM 0 H VAL A 4 -1.255 2.800 0.016 1.00 21.51 H new ATOM 0 HA VAL A 4 -0.077 3.573 -2.657 1.00 74.32 H new ATOM 0 HB VAL A 4 1.400 3.010 -0.152 1.00 30.44 H new ATOM 0 HG11 VAL A 4 3.237 4.067 -1.481 1.00 71.41 H new ATOM 0 HG12 VAL A 4 2.576 2.629 -2.296 1.00 71.41 H new ATOM 0 HG13 VAL A 4 2.114 4.256 -2.849 1.00 71.41 H new ATOM 0 HG21 VAL A 4 1.852 5.451 -0.038 1.00 2.23 H new ATOM 0 HG22 VAL A 4 0.689 5.717 -1.359 1.00 2.23 H new ATOM 0 HG23 VAL A 4 0.128 5.082 0.206 1.00 2.23 H new ATOM 58 N MET A 5 0.180 1.177 -3.244 1.00 61.42 N ATOM 59 CA MET A 5 0.156 -0.206 -3.699 1.00 51.43 C ATOM 60 C MET A 5 1.548 -0.563 -4.191 1.00 51.31 C ATOM 61 O MET A 5 2.051 0.086 -5.111 1.00 12.23 O ATOM 62 CB MET A 5 -0.899 -0.368 -4.793 1.00 65.44 C ATOM 63 CG MET A 5 -1.053 -1.823 -5.245 1.00 32.24 C ATOM 64 SD MET A 5 -1.906 -2.045 -6.827 1.00 62.51 S ATOM 65 CE MET A 5 -0.512 -1.754 -7.943 1.00 52.12 C ATOM 0 H MET A 5 0.385 1.842 -3.990 1.00 61.42 H new ATOM 0 HA MET A 5 -0.114 -0.884 -2.889 1.00 51.43 H new ATOM 0 HB2 MET A 5 -1.858 -0.001 -4.427 1.00 65.44 H new ATOM 0 HB3 MET A 5 -0.628 0.249 -5.650 1.00 65.44 H new ATOM 0 HG2 MET A 5 -0.063 -2.272 -5.317 1.00 32.24 H new ATOM 0 HG3 MET A 5 -1.597 -2.371 -4.476 1.00 32.24 H new ATOM 0 HE1 MET A 5 -0.847 -1.849 -8.976 1.00 52.12 H new ATOM 0 HE2 MET A 5 -0.119 -0.751 -7.780 1.00 52.12 H new ATOM 0 HE3 MET A 5 0.271 -2.487 -7.746 1.00 52.12 H new ATOM 73 N LEU A 6 2.179 -1.547 -3.547 1.00 54.23 N ATOM 74 CA LEU A 6 3.611 -1.799 -3.656 1.00 65.44 C ATOM 75 C LEU A 6 3.889 -3.013 -4.527 1.00 33.25 C ATOM 76 O LEU A 6 4.061 -4.125 -4.036 1.00 42.23 O ATOM 77 CB LEU A 6 4.253 -1.966 -2.259 1.00 3.12 C ATOM 78 CG LEU A 6 4.190 -0.802 -1.245 1.00 62.43 C ATOM 79 CD1 LEU A 6 4.668 0.501 -1.879 1.00 21.54 C ATOM 80 CD2 LEU A 6 2.820 -0.617 -0.600 1.00 2.04 C ATOM 0 H LEU A 6 1.699 -2.199 -2.927 1.00 54.23 H new ATOM 0 HA LEU A 6 4.065 -0.931 -4.135 1.00 65.44 H new ATOM 0 HB2 LEU A 6 3.789 -2.833 -1.789 1.00 3.12 H new ATOM 0 HB3 LEU A 6 5.305 -2.210 -2.411 1.00 3.12 H new ATOM 0 HG LEU A 6 4.867 -1.078 -0.437 1.00 62.43 H new ATOM 0 HD11 LEU A 6 4.614 1.304 -1.144 1.00 21.54 H new ATOM 0 HD12 LEU A 6 5.698 0.386 -2.215 1.00 21.54 H new ATOM 0 HD13 LEU A 6 4.034 0.745 -2.731 1.00 21.54 H new ATOM 0 HD21 LEU A 6 2.857 0.219 0.099 1.00 2.04 H new ATOM 0 HD22 LEU A 6 2.079 -0.412 -1.372 1.00 2.04 H new ATOM 0 HD23 LEU A 6 2.544 -1.526 -0.065 1.00 2.04 H new ATOM 91 N ARG A 7 3.883 -2.810 -5.839 1.00 30.31 N ATOM 92 CA ARG A 7 4.112 -3.872 -6.809 1.00 63.33 C ATOM 93 C ARG A 7 5.567 -4.281 -6.869 1.00 13.02 C ATOM 94 O ARG A 7 6.450 -3.478 -6.578 1.00 32.51 O ATOM 95 CB ARG A 7 3.517 -3.479 -8.163 1.00 13.42 C ATOM 96 CG ARG A 7 3.921 -2.139 -8.782 1.00 73.12 C ATOM 97 CD ARG A 7 4.608 -2.211 -10.162 1.00 70.41 C ATOM 98 NE ARG A 7 3.673 -2.428 -11.282 1.00 63.53 N ATOM 99 CZ ARG A 7 3.983 -2.339 -12.587 1.00 65.54 C ATOM 100 NH1 ARG A 7 5.217 -2.065 -13.003 1.00 5.02 N ATOM 101 NH2 ARG A 7 3.043 -2.538 -13.501 1.00 61.12 N ATOM 0 H ARG A 7 3.718 -1.897 -6.262 1.00 30.31 H new ATOM 0 HA ARG A 7 3.589 -4.772 -6.484 1.00 63.33 H new ATOM 0 HB2 ARG A 7 3.772 -4.263 -8.876 1.00 13.42 H new ATOM 0 HB3 ARG A 7 2.432 -3.482 -8.061 1.00 13.42 H new ATOM 0 HG2 ARG A 7 3.028 -1.520 -8.874 1.00 73.12 H new ATOM 0 HG3 ARG A 7 4.592 -1.629 -8.090 1.00 73.12 H new ATOM 0 HD2 ARG A 7 5.156 -1.285 -10.333 1.00 70.41 H new ATOM 0 HD3 ARG A 7 5.341 -3.018 -10.151 1.00 70.41 H new ATOM 0 HE ARG A 7 2.710 -2.666 -11.046 1.00 63.53 H new ATOM 0 HH11 ARG A 7 5.963 -1.915 -12.323 1.00 5.02 H new ATOM 0 HH12 ARG A 7 5.417 -2.005 -14.001 1.00 5.02 H new ATOM 0 HH21 ARG A 7 2.090 -2.758 -13.213 1.00 61.12 H new ATOM 0 HH22 ARG A 7 3.273 -2.472 -14.492 1.00 61.12 H new ATOM 112 N MET A 8 5.785 -5.517 -7.321 1.00 22.54 N ATOM 113 CA MET A 8 7.076 -6.201 -7.405 1.00 13.31 C ATOM 114 C MET A 8 7.563 -6.667 -6.034 1.00 31.15 C ATOM 115 O MET A 8 8.758 -6.877 -5.828 1.00 33.34 O ATOM 116 CB MET A 8 8.111 -5.374 -8.187 1.00 74.24 C ATOM 117 CG MET A 8 7.486 -4.898 -9.495 1.00 50.23 C ATOM 118 SD MET A 8 8.625 -4.553 -10.841 1.00 44.43 S ATOM 119 CE MET A 8 8.952 -2.820 -10.443 1.00 73.21 C ATOM 0 H MET A 8 5.020 -6.101 -7.658 1.00 22.54 H new ATOM 0 HA MET A 8 6.934 -7.112 -7.986 1.00 13.31 H new ATOM 0 HB2 MET A 8 8.436 -4.520 -7.593 1.00 74.24 H new ATOM 0 HB3 MET A 8 8.997 -5.976 -8.391 1.00 74.24 H new ATOM 0 HG2 MET A 8 6.778 -5.655 -9.831 1.00 50.23 H new ATOM 0 HG3 MET A 8 6.913 -3.994 -9.291 1.00 50.23 H new ATOM 0 HE1 MET A 8 9.650 -2.405 -11.170 1.00 73.21 H new ATOM 0 HE2 MET A 8 8.019 -2.257 -10.474 1.00 73.21 H new ATOM 0 HE3 MET A 8 9.384 -2.751 -9.445 1.00 73.21 H new ATOM 127 N LEU A 9 6.646 -6.865 -5.084 1.00 52.12 N ATOM 128 CA LEU A 9 6.981 -7.396 -3.774 1.00 12.41 C ATOM 129 C LEU A 9 7.511 -8.824 -3.900 1.00 21.34 C ATOM 130 O LEU A 9 7.001 -9.574 -4.736 1.00 70.41 O ATOM 131 CB LEU A 9 5.700 -7.350 -2.916 1.00 72.43 C ATOM 132 CG LEU A 9 5.808 -6.621 -1.576 1.00 43.00 C ATOM 133 CD1 LEU A 9 6.582 -5.301 -1.658 1.00 63.42 C ATOM 134 CD2 LEU A 9 4.394 -6.302 -1.097 1.00 54.33 C ATOM 0 H LEU A 9 5.654 -6.660 -5.207 1.00 52.12 H new ATOM 0 HA LEU A 9 7.766 -6.804 -3.304 1.00 12.41 H new ATOM 0 HB2 LEU A 9 4.913 -6.875 -3.502 1.00 72.43 H new ATOM 0 HB3 LEU A 9 5.380 -8.374 -2.724 1.00 72.43 H new ATOM 0 HG LEU A 9 6.351 -7.277 -0.896 1.00 43.00 H new ATOM 0 HD11 LEU A 9 6.619 -4.839 -0.671 1.00 63.42 H new ATOM 0 HD12 LEU A 9 7.597 -5.495 -2.006 1.00 63.42 H new ATOM 0 HD13 LEU A 9 6.082 -4.629 -2.355 1.00 63.42 H new ATOM 0 HD21 LEU A 9 4.443 -5.781 -0.141 1.00 54.33 H new ATOM 0 HD22 LEU A 9 3.896 -5.669 -1.831 1.00 54.33 H new ATOM 0 HD23 LEU A 9 3.833 -7.229 -0.977 1.00 54.33 H new ATOM 145 N PRO A 10 8.485 -9.233 -3.069 1.00 42.03 N ATOM 146 CA PRO A 10 8.850 -10.629 -2.944 1.00 40.32 C ATOM 147 C PRO A 10 7.754 -11.346 -2.168 1.00 14.43 C ATOM 148 O PRO A 10 7.052 -10.757 -1.337 1.00 53.10 O ATOM 149 CB PRO A 10 10.175 -10.653 -2.189 1.00 54.10 C ATOM 150 CG PRO A 10 10.105 -9.396 -1.326 1.00 51.24 C ATOM 151 CD PRO A 10 9.240 -8.423 -2.129 1.00 74.40 C ATOM 0 HA PRO A 10 8.958 -11.129 -3.906 1.00 40.32 H new ATOM 0 HB2 PRO A 10 10.277 -11.553 -1.583 1.00 54.10 H new ATOM 0 HB3 PRO A 10 11.027 -10.628 -2.869 1.00 54.10 H new ATOM 0 HG2 PRO A 10 9.663 -9.608 -0.352 1.00 51.24 H new ATOM 0 HG3 PRO A 10 11.098 -8.985 -1.143 1.00 51.24 H new ATOM 0 HD2 PRO A 10 8.573 -7.863 -1.474 1.00 74.40 H new ATOM 0 HD3 PRO A 10 9.858 -7.694 -2.652 1.00 74.40 H new ATOM 156 N GLN A 11 7.654 -12.649 -2.389 1.00 52.11 N ATOM 157 CA GLN A 11 6.639 -13.472 -1.751 1.00 71.10 C ATOM 158 C GLN A 11 7.013 -13.778 -0.296 1.00 41.20 C ATOM 159 O GLN A 11 6.130 -14.118 0.490 1.00 40.11 O ATOM 160 CB GLN A 11 6.391 -14.729 -2.604 1.00 60.52 C ATOM 161 CG GLN A 11 5.151 -15.542 -2.197 1.00 55.44 C ATOM 162 CD GLN A 11 3.861 -14.721 -2.208 1.00 74.22 C ATOM 163 OE1 GLN A 11 3.321 -14.372 -3.254 1.00 32.44 O ATOM 164 NE2 GLN A 11 3.334 -14.345 -1.053 1.00 51.44 N ATOM 0 H GLN A 11 8.274 -13.164 -3.015 1.00 52.11 H new ATOM 0 HA GLN A 11 5.696 -12.928 -1.698 1.00 71.10 H new ATOM 0 HB2 GLN A 11 6.287 -14.430 -3.647 1.00 60.52 H new ATOM 0 HB3 GLN A 11 7.268 -15.373 -2.543 1.00 60.52 H new ATOM 0 HG2 GLN A 11 5.041 -16.388 -2.875 1.00 55.44 H new ATOM 0 HG3 GLN A 11 5.305 -15.951 -1.199 1.00 55.44 H new ATOM 0 HE21 GLN A 11 3.772 -14.628 -0.176 1.00 51.44 H new ATOM 0 HE22 GLN A 11 2.490 -13.773 -1.040 1.00 51.44 H new ATOM 171 N ALA A 12 8.289 -13.626 0.074 1.00 0.43 N ATOM 172 CA ALA A 12 8.775 -13.832 1.433 1.00 44.31 C ATOM 173 C ALA A 12 8.345 -12.717 2.392 1.00 32.31 C ATOM 174 O ALA A 12 8.029 -13.026 3.541 1.00 12.32 O ATOM 175 CB ALA A 12 10.302 -13.897 1.409 1.00 41.01 C ATOM 0 H ALA A 12 9.023 -13.351 -0.579 1.00 0.43 H new ATOM 0 HA ALA A 12 8.341 -14.764 1.796 1.00 44.31 H new ATOM 0 HB1 ALA A 12 10.676 -14.051 2.421 1.00 41.01 H new ATOM 0 HB2 ALA A 12 10.621 -14.724 0.775 1.00 41.01 H new ATOM 0 HB3 ALA A 12 10.700 -12.962 1.014 1.00 41.01 H new ATOM 181 N ALA A 13 8.345 -11.455 1.928 1.00 3.11 N ATOM 182 CA ALA A 13 8.060 -10.282 2.755 1.00 2.22 C ATOM 183 C ALA A 13 6.705 -10.414 3.436 1.00 62.11 C ATOM 184 O ALA A 13 5.831 -11.146 2.954 1.00 55.40 O ATOM 185 CB ALA A 13 8.068 -8.991 1.932 1.00 51.04 C ATOM 0 H ALA A 13 8.546 -11.224 0.955 1.00 3.11 H new ATOM 0 HA ALA A 13 8.850 -10.230 3.505 1.00 2.22 H new ATOM 0 HB1 ALA A 13 7.852 -8.143 2.583 1.00 51.04 H new ATOM 0 HB2 ALA A 13 9.048 -8.857 1.475 1.00 51.04 H new ATOM 0 HB3 ALA A 13 7.309 -9.052 1.152 1.00 51.04 H new ATOM 191 N THR A 14 6.519 -9.666 4.515 1.00 34.21 N ATOM 192 CA THR A 14 5.407 -9.841 5.423 1.00 21.13 C ATOM 193 C THR A 14 4.708 -8.499 5.600 1.00 43.43 C ATOM 194 O THR A 14 5.225 -7.455 5.197 1.00 15.34 O ATOM 195 CB THR A 14 5.957 -10.423 6.743 1.00 23.11 C ATOM 196 OG1 THR A 14 6.763 -9.492 7.449 1.00 42.21 O ATOM 197 CG2 THR A 14 6.766 -11.707 6.532 1.00 11.35 C ATOM 0 H THR A 14 7.149 -8.910 4.783 1.00 34.21 H new ATOM 0 HA THR A 14 4.663 -10.539 5.040 1.00 21.13 H new ATOM 0 HB THR A 14 5.072 -10.656 7.336 1.00 23.11 H new ATOM 0 HG1 THR A 14 7.511 -9.211 6.882 1.00 42.21 H new ATOM 0 HG21 THR A 14 7.128 -12.071 7.494 1.00 11.35 H new ATOM 0 HG22 THR A 14 6.132 -12.465 6.072 1.00 11.35 H new ATOM 0 HG23 THR A 14 7.615 -11.499 5.880 1.00 11.35 H new ATOM 205 N GLU A 15 3.513 -8.512 6.182 1.00 34.05 N ATOM 206 CA GLU A 15 2.772 -7.287 6.444 1.00 13.51 C ATOM 207 C GLU A 15 3.585 -6.358 7.350 1.00 20.22 C ATOM 208 O GLU A 15 3.559 -5.136 7.195 1.00 73.34 O ATOM 209 CB GLU A 15 1.427 -7.635 7.089 1.00 3.31 C ATOM 210 CG GLU A 15 0.420 -6.495 6.905 1.00 13.35 C ATOM 211 CD GLU A 15 -0.855 -6.623 7.740 1.00 21.05 C ATOM 212 OE1 GLU A 15 -1.029 -7.572 8.542 1.00 34.13 O ATOM 213 OE2 GLU A 15 -1.729 -5.742 7.608 1.00 2.22 O ATOM 0 H GLU A 15 3.037 -9.363 6.482 1.00 34.05 H new ATOM 0 HA GLU A 15 2.589 -6.766 5.504 1.00 13.51 H new ATOM 0 HB2 GLU A 15 1.032 -8.549 6.645 1.00 3.31 H new ATOM 0 HB3 GLU A 15 1.569 -7.832 8.152 1.00 3.31 H new ATOM 0 HG2 GLU A 15 0.909 -5.554 7.156 1.00 13.35 H new ATOM 0 HG3 GLU A 15 0.144 -6.440 5.852 1.00 13.35 H new ATOM 218 N ASP A 16 4.318 -6.950 8.295 1.00 32.34 N ATOM 219 CA ASP A 16 5.051 -6.209 9.304 1.00 63.41 C ATOM 220 C ASP A 16 6.287 -5.523 8.731 1.00 41.14 C ATOM 221 O ASP A 16 6.698 -4.472 9.226 1.00 12.21 O ATOM 222 CB ASP A 16 5.355 -7.095 10.509 1.00 32.31 C ATOM 223 CG ASP A 16 5.433 -6.205 11.747 1.00 35.11 C ATOM 224 OD1 ASP A 16 4.348 -5.769 12.209 1.00 12.54 O ATOM 225 OD2 ASP A 16 6.565 -5.925 12.196 1.00 3.21 O ATOM 0 H ASP A 16 4.415 -7.962 8.376 1.00 32.34 H new ATOM 0 HA ASP A 16 4.414 -5.399 9.660 1.00 63.41 H new ATOM 0 HB2 ASP A 16 4.578 -7.850 10.632 1.00 32.31 H new ATOM 0 HB3 ASP A 16 6.295 -7.626 10.363 1.00 32.31 H new ATOM 229 N ASP A 17 6.818 -6.042 7.619 1.00 14.14 N ATOM 230 CA ASP A 17 7.896 -5.390 6.883 1.00 41.00 C ATOM 231 C ASP A 17 7.416 -4.037 6.369 1.00 21.12 C ATOM 232 O ASP A 17 8.165 -3.062 6.374 1.00 64.54 O ATOM 233 CB ASP A 17 8.359 -6.221 5.686 1.00 44.04 C ATOM 234 CG ASP A 17 9.180 -7.431 6.096 1.00 75.12 C ATOM 235 OD1 ASP A 17 10.330 -7.251 6.560 1.00 34.51 O ATOM 236 OD2 ASP A 17 8.644 -8.548 5.920 1.00 62.12 O ATOM 0 H ASP A 17 6.511 -6.924 7.208 1.00 14.14 H new ATOM 0 HA ASP A 17 8.734 -5.275 7.570 1.00 41.00 H new ATOM 0 HB2 ASP A 17 7.488 -6.552 5.120 1.00 44.04 H new ATOM 0 HB3 ASP A 17 8.952 -5.593 5.020 1.00 44.04 H new ATOM 240 N ILE A 18 6.172 -3.955 5.888 1.00 21.43 N ATOM 241 CA ILE A 18 5.569 -2.718 5.391 1.00 54.31 C ATOM 242 C ILE A 18 5.436 -1.769 6.567 1.00 31.34 C ATOM 243 O ILE A 18 5.866 -0.623 6.487 1.00 11.42 O ATOM 244 CB ILE A 18 4.193 -2.951 4.725 1.00 31.12 C ATOM 245 CG1 ILE A 18 4.229 -4.209 3.839 1.00 0.24 C ATOM 246 CG2 ILE A 18 3.768 -1.708 3.901 1.00 24.55 C ATOM 247 CD1 ILE A 18 2.900 -4.540 3.189 1.00 61.53 C ATOM 0 H ILE A 18 5.547 -4.759 5.833 1.00 21.43 H new ATOM 0 HA ILE A 18 6.210 -2.298 4.616 1.00 54.31 H new ATOM 0 HB ILE A 18 3.452 -3.107 5.509 1.00 31.12 H new ATOM 0 HG12 ILE A 18 4.979 -4.072 3.060 1.00 0.24 H new ATOM 0 HG13 ILE A 18 4.548 -5.058 4.443 1.00 0.24 H new ATOM 0 HG21 ILE A 18 2.797 -1.891 3.440 1.00 24.55 H new ATOM 0 HG22 ILE A 18 3.699 -0.842 4.559 1.00 24.55 H new ATOM 0 HG23 ILE A 18 4.508 -1.516 3.124 1.00 24.55 H new ATOM 0 HD11 ILE A 18 3.006 -5.439 2.581 1.00 61.53 H new ATOM 0 HD12 ILE A 18 2.150 -4.711 3.961 1.00 61.53 H new ATOM 0 HD13 ILE A 18 2.587 -3.709 2.557 1.00 61.53 H new ATOM 258 N ARG A 19 4.841 -2.260 7.653 1.00 60.43 N ATOM 259 CA ARG A 19 4.521 -1.476 8.838 1.00 3.43 C ATOM 260 C ARG A 19 5.783 -0.799 9.385 1.00 41.12 C ATOM 261 O ARG A 19 5.751 0.399 9.679 1.00 54.54 O ATOM 262 CB ARG A 19 3.796 -2.390 9.835 1.00 34.34 C ATOM 263 CG ARG A 19 2.359 -2.704 9.404 1.00 60.02 C ATOM 264 CD ARG A 19 1.884 -4.043 9.976 1.00 11.33 C ATOM 265 NE ARG A 19 1.890 -4.102 11.449 1.00 60.43 N ATOM 266 CZ ARG A 19 0.820 -4.081 12.258 1.00 61.30 C ATOM 267 NH1 ARG A 19 -0.422 -4.047 11.783 1.00 43.53 N ATOM 268 NH2 ARG A 19 1.010 -4.121 13.568 1.00 0.34 N ATOM 0 H ARG A 19 4.563 -3.238 7.732 1.00 60.43 H new ATOM 0 HA ARG A 19 3.843 -0.654 8.609 1.00 3.43 H new ATOM 0 HB2 ARG A 19 4.352 -3.321 9.940 1.00 34.34 H new ATOM 0 HB3 ARG A 19 3.782 -1.914 10.816 1.00 34.34 H new ATOM 0 HG2 ARG A 19 1.695 -1.907 9.739 1.00 60.02 H new ATOM 0 HG3 ARG A 19 2.301 -2.731 8.316 1.00 60.02 H new ATOM 0 HD2 ARG A 19 0.873 -4.241 9.619 1.00 11.33 H new ATOM 0 HD3 ARG A 19 2.521 -4.838 9.588 1.00 11.33 H new ATOM 0 HE ARG A 19 2.803 -4.165 11.900 1.00 60.43 H new ATOM 0 HH11 ARG A 19 -0.583 -4.036 10.776 1.00 43.53 H new ATOM 0 HH12 ARG A 19 -1.214 -4.032 12.426 1.00 43.53 H new ATOM 0 HH21 ARG A 19 1.957 -4.167 13.945 1.00 0.34 H new ATOM 0 HH22 ARG A 19 0.210 -4.106 14.200 1.00 0.34 H new ATOM 279 N GLY A 20 6.915 -1.507 9.396 1.00 40.40 N ATOM 280 CA GLY A 20 8.207 -0.943 9.750 1.00 42.50 C ATOM 281 C GLY A 20 8.719 0.054 8.705 1.00 11.25 C ATOM 282 O GLY A 20 9.309 1.068 9.081 1.00 74.34 O ATOM 0 H GLY A 20 6.954 -2.498 9.156 1.00 40.40 H new ATOM 0 HA2 GLY A 20 8.129 -0.444 10.716 1.00 42.50 H new ATOM 0 HA3 GLY A 20 8.932 -1.749 9.865 1.00 42.50 H new ATOM 286 N GLN A 21 8.524 -0.182 7.402 1.00 71.30 N ATOM 287 CA GLN A 21 8.988 0.709 6.341 1.00 52.11 C ATOM 288 C GLN A 21 8.140 1.982 6.202 1.00 71.23 C ATOM 289 O GLN A 21 8.531 2.918 5.495 1.00 43.01 O ATOM 290 CB GLN A 21 9.043 -0.054 5.007 1.00 31.15 C ATOM 291 CG GLN A 21 10.409 -0.734 4.816 1.00 3.33 C ATOM 292 CD GLN A 21 11.566 0.269 4.845 1.00 64.23 C ATOM 293 OE1 GLN A 21 12.456 0.195 5.682 1.00 1.34 O ATOM 294 NE2 GLN A 21 11.556 1.283 3.997 1.00 24.24 N ATOM 0 H GLN A 21 8.034 -1.007 7.055 1.00 71.30 H new ATOM 0 HA GLN A 21 9.988 1.041 6.619 1.00 52.11 H new ATOM 0 HB2 GLN A 21 8.253 -0.804 4.980 1.00 31.15 H new ATOM 0 HB3 GLN A 21 8.857 0.634 4.183 1.00 31.15 H new ATOM 0 HG2 GLN A 21 10.555 -1.477 5.600 1.00 3.33 H new ATOM 0 HG3 GLN A 21 10.417 -1.268 3.866 1.00 3.33 H new ATOM 0 HE21 GLN A 21 10.819 1.354 3.296 1.00 24.24 H new ATOM 0 HE22 GLN A 21 12.285 1.994 4.044 1.00 24.24 H new ATOM 301 N LEU A 22 6.997 2.056 6.877 1.00 61.20 N ATOM 302 CA LEU A 22 6.164 3.254 6.970 1.00 71.32 C ATOM 303 C LEU A 22 6.695 4.112 8.109 1.00 2.52 C ATOM 304 O LEU A 22 7.087 5.273 7.915 1.00 33.03 O ATOM 305 CB LEU A 22 4.708 2.812 7.206 1.00 43.41 C ATOM 306 CG LEU A 22 4.142 2.035 5.998 1.00 24.02 C ATOM 307 CD1 LEU A 22 3.098 0.990 6.425 1.00 63.01 C ATOM 308 CD2 LEU A 22 3.560 3.022 4.995 1.00 64.01 C ATOM 0 H LEU A 22 6.612 1.262 7.390 1.00 61.20 H new ATOM 0 HA LEU A 22 6.193 3.846 6.055 1.00 71.32 H new ATOM 0 HB2 LEU A 22 4.658 2.186 8.097 1.00 43.41 H new ATOM 0 HB3 LEU A 22 4.089 3.688 7.397 1.00 43.41 H new ATOM 0 HG LEU A 22 4.955 1.482 5.528 1.00 24.02 H new ATOM 0 HD11 LEU A 22 2.726 0.467 5.544 1.00 63.01 H new ATOM 0 HD12 LEU A 22 3.558 0.274 7.106 1.00 63.01 H new ATOM 0 HD13 LEU A 22 2.269 1.488 6.928 1.00 63.01 H new ATOM 0 HD21 LEU A 22 3.159 2.478 4.140 1.00 64.01 H new ATOM 0 HD22 LEU A 22 2.762 3.594 5.468 1.00 64.01 H new ATOM 0 HD23 LEU A 22 4.342 3.702 4.658 1.00 64.01 H new ATOM 319 N GLN A 23 6.806 3.505 9.290 1.00 73.33 N ATOM 320 CA GLN A 23 7.359 4.096 10.471 1.00 24.34 C ATOM 321 C GLN A 23 8.823 4.511 10.268 1.00 31.41 C ATOM 322 O GLN A 23 9.275 5.395 10.996 1.00 72.20 O ATOM 323 CB GLN A 23 7.148 3.077 11.602 1.00 34.33 C ATOM 324 CG GLN A 23 7.593 3.586 12.966 1.00 41.41 C ATOM 325 CD GLN A 23 7.556 2.492 14.028 1.00 1.23 C ATOM 326 OE1 GLN A 23 7.053 1.399 13.812 1.00 22.21 O ATOM 327 NE2 GLN A 23 8.194 2.707 15.169 1.00 0.15 N ATOM 0 H GLN A 23 6.494 2.545 9.438 1.00 73.33 H new ATOM 0 HA GLN A 23 6.860 5.030 10.728 1.00 24.34 H new ATOM 0 HB2 GLN A 23 6.092 2.811 11.649 1.00 34.33 H new ATOM 0 HB3 GLN A 23 7.696 2.165 11.366 1.00 34.33 H new ATOM 0 HG2 GLN A 23 8.605 3.984 12.891 1.00 41.41 H new ATOM 0 HG3 GLN A 23 6.949 4.410 13.273 1.00 41.41 H new ATOM 0 HE21 GLN A 23 8.615 3.617 15.354 1.00 0.15 H new ATOM 0 HE22 GLN A 23 8.264 1.962 15.862 1.00 0.15 H new ATOM 334 N SER A 24 9.504 3.995 9.233 1.00 74.13 N ATOM 335 CA SER A 24 10.861 4.308 8.821 1.00 75.21 C ATOM 336 C SER A 24 11.096 5.809 8.867 1.00 31.34 C ATOM 337 O SER A 24 12.033 6.320 9.479 1.00 32.52 O ATOM 338 CB SER A 24 10.884 3.884 7.347 1.00 73.54 C ATOM 339 OG SER A 24 12.209 3.673 6.920 1.00 12.21 O ATOM 0 H SER A 24 9.079 3.297 8.623 1.00 74.13 H new ATOM 0 HA SER A 24 11.607 3.825 9.452 1.00 75.21 H new ATOM 0 HB2 SER A 24 10.302 2.972 7.215 1.00 73.54 H new ATOM 0 HB3 SER A 24 10.415 4.653 6.733 1.00 73.54 H new ATOM 0 HG SER A 24 12.210 3.401 5.978 1.00 12.21 H new ATOM 344 N HIS A 25 10.174 6.487 8.198 1.00 4.15 N ATOM 345 CA HIS A 25 10.138 7.882 7.906 1.00 3.04 C ATOM 346 C HIS A 25 9.201 8.544 8.937 1.00 41.30 C ATOM 347 O HIS A 25 9.398 9.700 9.296 1.00 24.25 O ATOM 348 CB HIS A 25 9.631 7.943 6.443 1.00 10.32 C ATOM 349 CG HIS A 25 8.961 9.234 6.130 1.00 31.55 C ATOM 350 ND1 HIS A 25 7.698 9.427 6.547 1.00 54.30 N flip ATOM 351 CD2 HIS A 25 9.405 10.388 5.531 1.00 42.22 C flip ATOM 352 CE1 HIS A 25 7.336 10.744 6.261 1.00 21.34 C flip ATOM 353 NE2 HIS A 25 8.400 11.284 5.625 1.00 14.11 N flip ATOM 0 H HIS A 25 9.358 6.010 7.815 1.00 4.15 H new ATOM 0 HA HIS A 25 11.087 8.414 7.980 1.00 3.04 H new ATOM 0 HB2 HIS A 25 10.471 7.798 5.764 1.00 10.32 H new ATOM 0 HB3 HIS A 25 8.934 7.123 6.268 1.00 10.32 H new ATOM 0 HD2 HIS A 25 10.370 10.547 5.074 1.00 42.22 H new ATOM 0 HE1 HIS A 25 6.401 11.230 6.498 1.00 21.34 H new ATOM 0 HE2 HIS A 25 8.438 12.238 5.266 1.00 14.11 H new ATOM 360 N GLY A 26 8.164 7.840 9.414 1.00 13.33 N ATOM 361 CA GLY A 26 7.148 8.344 10.343 1.00 24.33 C ATOM 362 C GLY A 26 5.728 8.255 9.792 1.00 22.21 C ATOM 363 O GLY A 26 4.817 8.866 10.365 1.00 65.23 O ATOM 0 H GLY A 26 8.006 6.867 9.152 1.00 13.33 H new ATOM 0 HA2 GLY A 26 7.205 7.780 11.274 1.00 24.33 H new ATOM 0 HA3 GLY A 26 7.371 9.383 10.586 1.00 24.33 H new ATOM 367 N VAL A 27 5.514 7.519 8.694 1.00 51.34 N ATOM 368 CA VAL A 27 4.186 7.363 8.125 1.00 54.14 C ATOM 369 C VAL A 27 3.277 6.606 9.099 1.00 54.21 C ATOM 370 O VAL A 27 3.679 5.622 9.715 1.00 1.42 O ATOM 371 CB VAL A 27 4.258 6.701 6.740 1.00 53.31 C ATOM 372 CG1 VAL A 27 2.874 6.314 6.271 1.00 10.24 C ATOM 373 CG2 VAL A 27 5.030 7.556 5.728 1.00 32.12 C ATOM 0 H VAL A 27 6.249 7.025 8.188 1.00 51.34 H new ATOM 0 HA VAL A 27 3.743 8.347 7.973 1.00 54.14 H new ATOM 0 HB VAL A 27 4.835 5.780 6.827 1.00 53.31 H new ATOM 0 HG11 VAL A 27 2.940 5.846 5.289 1.00 10.24 H new ATOM 0 HG12 VAL A 27 2.433 5.612 6.978 1.00 10.24 H new ATOM 0 HG13 VAL A 27 2.249 7.205 6.207 1.00 10.24 H new ATOM 0 HG21 VAL A 27 5.054 7.047 4.765 1.00 32.12 H new ATOM 0 HG22 VAL A 27 4.537 8.521 5.616 1.00 32.12 H new ATOM 0 HG23 VAL A 27 6.049 7.709 6.083 1.00 32.12 H new ATOM 383 N GLN A 28 2.035 7.085 9.180 1.00 21.13 N ATOM 384 CA GLN A 28 0.921 6.651 10.020 1.00 23.24 C ATOM 385 C GLN A 28 0.342 5.259 9.717 1.00 13.25 C ATOM 386 O GLN A 28 -0.125 4.612 10.649 1.00 61.32 O ATOM 387 CB GLN A 28 -0.181 7.714 9.865 1.00 52.44 C ATOM 388 CG GLN A 28 -0.640 7.960 8.409 1.00 45.52 C ATOM 389 CD GLN A 28 -1.284 9.327 8.251 1.00 53.24 C ATOM 390 OE1 GLN A 28 -2.494 9.413 8.069 1.00 10.32 O ATOM 391 NE2 GLN A 28 -0.493 10.389 8.283 1.00 1.21 N ATOM 0 H GLN A 28 1.756 7.872 8.594 1.00 21.13 H new ATOM 0 HA GLN A 28 1.305 6.555 11.036 1.00 23.24 H new ATOM 0 HB2 GLN A 28 -1.044 7.412 10.458 1.00 52.44 H new ATOM 0 HB3 GLN A 28 0.179 8.655 10.282 1.00 52.44 H new ATOM 0 HG2 GLN A 28 0.216 7.880 7.738 1.00 45.52 H new ATOM 0 HG3 GLN A 28 -1.349 7.186 8.114 1.00 45.52 H new ATOM 0 HE21 GLN A 28 0.509 10.274 8.437 1.00 1.21 H new ATOM 0 HE22 GLN A 28 -0.886 11.321 8.154 1.00 1.21 H new ATOM 398 N ALA A 29 0.291 4.840 8.441 1.00 11.42 N ATOM 399 CA ALA A 29 -0.188 3.532 7.978 1.00 75.12 C ATOM 400 C ALA A 29 -1.475 3.070 8.661 1.00 24.45 C ATOM 401 O ALA A 29 -1.461 2.187 9.519 1.00 12.24 O ATOM 402 CB ALA A 29 0.910 2.493 8.042 1.00 64.32 C ATOM 0 H ALA A 29 0.598 5.434 7.671 1.00 11.42 H new ATOM 0 HA ALA A 29 -0.461 3.659 6.931 1.00 75.12 H new ATOM 0 HB1 ALA A 29 0.525 1.535 7.693 1.00 64.32 H new ATOM 0 HB2 ALA A 29 1.741 2.803 7.409 1.00 64.32 H new ATOM 0 HB3 ALA A 29 1.256 2.392 9.071 1.00 64.32 H new ATOM 408 N ARG A 30 -2.595 3.672 8.273 1.00 24.31 N ATOM 409 CA ARG A 30 -3.887 3.441 8.900 1.00 74.40 C ATOM 410 C ARG A 30 -4.294 1.967 8.845 1.00 24.45 C ATOM 411 O ARG A 30 -4.901 1.481 9.799 1.00 11.32 O ATOM 412 CB ARG A 30 -4.918 4.371 8.253 1.00 2.42 C ATOM 413 CG ARG A 30 -6.291 4.276 8.931 1.00 3.21 C ATOM 414 CD ARG A 30 -7.330 3.674 7.988 1.00 32.43 C ATOM 415 NE ARG A 30 -8.552 3.306 8.722 1.00 53.12 N ATOM 416 CZ ARG A 30 -9.129 2.097 8.746 1.00 32.11 C ATOM 417 NH1 ARG A 30 -8.697 1.103 7.980 1.00 55.21 N ATOM 418 NH2 ARG A 30 -10.150 1.881 9.566 1.00 33.44 N ATOM 0 H ARG A 30 -2.629 4.342 7.505 1.00 24.31 H new ATOM 0 HA ARG A 30 -3.826 3.677 9.962 1.00 74.40 H new ATOM 0 HB2 ARG A 30 -4.560 5.399 8.304 1.00 2.42 H new ATOM 0 HB3 ARG A 30 -5.018 4.121 7.197 1.00 2.42 H new ATOM 0 HG2 ARG A 30 -6.214 3.665 9.830 1.00 3.21 H new ATOM 0 HG3 ARG A 30 -6.614 5.268 9.247 1.00 3.21 H new ATOM 0 HD2 ARG A 30 -7.574 4.390 7.203 1.00 32.43 H new ATOM 0 HD3 ARG A 30 -6.916 2.793 7.498 1.00 32.43 H new ATOM 0 HE ARG A 30 -9.003 4.043 9.265 1.00 53.12 H new ATOM 0 HH11 ARG A 30 -7.906 1.249 7.352 1.00 55.21 H new ATOM 0 HH12 ARG A 30 -9.156 0.193 8.019 1.00 55.21 H new ATOM 0 HH21 ARG A 30 -10.487 2.631 10.169 1.00 33.44 H new ATOM 0 HH22 ARG A 30 -10.597 0.965 9.593 1.00 33.44 H new ATOM 429 N GLU A 31 -3.973 1.263 7.762 1.00 51.44 N ATOM 430 CA GLU A 31 -4.133 -0.185 7.670 1.00 11.45 C ATOM 431 C GLU A 31 -3.191 -0.718 6.594 1.00 22.21 C ATOM 432 O GLU A 31 -2.690 0.065 5.786 1.00 43.30 O ATOM 433 CB GLU A 31 -5.595 -0.518 7.339 1.00 31.32 C ATOM 434 CG GLU A 31 -5.959 -1.981 7.657 1.00 72.13 C ATOM 435 CD GLU A 31 -7.367 -2.131 8.242 1.00 35.05 C ATOM 436 OE1 GLU A 31 -8.344 -1.625 7.639 1.00 0.45 O ATOM 437 OE2 GLU A 31 -7.494 -2.771 9.315 1.00 60.24 O ATOM 0 H GLU A 31 -3.591 1.686 6.916 1.00 51.44 H new ATOM 0 HA GLU A 31 -3.883 -0.657 8.620 1.00 11.45 H new ATOM 0 HB2 GLU A 31 -6.251 0.146 7.902 1.00 31.32 H new ATOM 0 HB3 GLU A 31 -5.777 -0.324 6.282 1.00 31.32 H new ATOM 0 HG2 GLU A 31 -5.884 -2.575 6.746 1.00 72.13 H new ATOM 0 HG3 GLU A 31 -5.233 -2.386 8.362 1.00 72.13 H new ATOM 442 N VAL A 32 -2.990 -2.036 6.521 1.00 75.43 N ATOM 443 CA VAL A 32 -2.232 -2.688 5.459 1.00 64.40 C ATOM 444 C VAL A 32 -2.972 -3.983 5.062 1.00 53.41 C ATOM 445 O VAL A 32 -3.769 -4.522 5.836 1.00 73.02 O ATOM 446 CB VAL A 32 -0.758 -2.878 5.910 1.00 43.23 C ATOM 447 CG1 VAL A 32 0.105 -3.536 4.831 1.00 41.20 C ATOM 448 CG2 VAL A 32 -0.042 -1.560 6.256 1.00 64.42 C ATOM 0 H VAL A 32 -3.358 -2.689 7.213 1.00 75.43 H new ATOM 0 HA VAL A 32 -2.173 -2.079 4.557 1.00 64.40 H new ATOM 0 HB VAL A 32 -0.850 -3.508 6.795 1.00 43.23 H new ATOM 0 HG11 VAL A 32 1.126 -3.645 5.198 1.00 41.20 H new ATOM 0 HG12 VAL A 32 -0.301 -4.518 4.589 1.00 41.20 H new ATOM 0 HG13 VAL A 32 0.106 -2.914 3.936 1.00 41.20 H new ATOM 0 HG21 VAL A 32 0.982 -1.772 6.562 1.00 64.42 H new ATOM 0 HG22 VAL A 32 -0.032 -0.911 5.381 1.00 64.42 H new ATOM 0 HG23 VAL A 32 -0.569 -1.063 7.071 1.00 64.42 H new ATOM 458 N ARG A 33 -2.765 -4.444 3.822 1.00 55.10 N ATOM 459 CA ARG A 33 -3.366 -5.628 3.205 1.00 23.34 C ATOM 460 C ARG A 33 -2.304 -6.320 2.339 1.00 44.41 C ATOM 461 O ARG A 33 -2.332 -6.172 1.111 1.00 74.13 O ATOM 462 CB ARG A 33 -4.619 -5.231 2.386 1.00 44.50 C ATOM 463 CG ARG A 33 -5.724 -4.509 3.181 1.00 21.42 C ATOM 464 CD ARG A 33 -7.043 -4.407 2.395 1.00 54.20 C ATOM 465 NE ARG A 33 -7.132 -3.185 1.573 1.00 40.22 N ATOM 466 CZ ARG A 33 -7.967 -2.982 0.539 1.00 4.11 C ATOM 467 NH1 ARG A 33 -8.620 -3.988 -0.040 1.00 22.13 N ATOM 468 NH2 ARG A 33 -8.147 -1.745 0.079 1.00 14.12 N ATOM 0 H ARG A 33 -2.130 -3.966 3.182 1.00 55.10 H new ATOM 0 HA ARG A 33 -3.700 -6.328 3.971 1.00 23.34 H new ATOM 0 HB2 ARG A 33 -4.306 -4.587 1.564 1.00 44.50 H new ATOM 0 HB3 ARG A 33 -5.043 -6.132 1.942 1.00 44.50 H new ATOM 0 HG2 ARG A 33 -5.902 -5.041 4.116 1.00 21.42 H new ATOM 0 HG3 ARG A 33 -5.383 -3.508 3.444 1.00 21.42 H new ATOM 0 HD2 ARG A 33 -7.144 -5.280 1.750 1.00 54.20 H new ATOM 0 HD3 ARG A 33 -7.879 -4.429 3.094 1.00 54.20 H new ATOM 0 HE ARG A 33 -6.500 -2.421 1.812 1.00 40.22 H new ATOM 0 HH11 ARG A 33 -8.493 -4.941 0.300 1.00 22.13 H new ATOM 0 HH12 ARG A 33 -9.248 -3.805 -0.823 1.00 22.13 H new ATOM 0 HH21 ARG A 33 -7.654 -0.964 0.511 1.00 14.12 H new ATOM 0 HH22 ARG A 33 -8.778 -1.579 -0.705 1.00 14.12 H new ATOM 479 N LEU A 34 -1.314 -6.977 2.956 1.00 71.44 N ATOM 480 CA LEU A 34 -0.188 -7.617 2.264 1.00 2.11 C ATOM 481 C LEU A 34 -0.631 -8.940 1.634 1.00 55.12 C ATOM 482 O LEU A 34 -1.811 -9.244 1.485 1.00 34.33 O ATOM 483 CB LEU A 34 0.990 -7.753 3.259 1.00 52.23 C ATOM 484 CG LEU A 34 2.437 -8.076 2.784 1.00 14.01 C ATOM 485 CD1 LEU A 34 2.912 -9.499 3.060 1.00 23.42 C ATOM 486 CD2 LEU A 34 2.827 -7.803 1.328 1.00 74.12 C ATOM 0 H LEU A 34 -1.272 -7.081 3.970 1.00 71.44 H new ATOM 0 HA LEU A 34 0.162 -7.006 1.432 1.00 2.11 H new ATOM 0 HB2 LEU A 34 1.043 -6.816 3.814 1.00 52.23 H new ATOM 0 HB3 LEU A 34 0.712 -8.530 3.971 1.00 52.23 H new ATOM 0 HG LEU A 34 2.929 -7.335 3.413 1.00 14.01 H new ATOM 0 HD11 LEU A 34 3.930 -9.621 2.691 1.00 23.42 H new ATOM 0 HD12 LEU A 34 2.890 -9.688 4.133 1.00 23.42 H new ATOM 0 HD13 LEU A 34 2.256 -10.206 2.553 1.00 23.42 H new ATOM 0 HD21 LEU A 34 3.868 -8.085 1.171 1.00 74.12 H new ATOM 0 HD22 LEU A 34 2.189 -8.387 0.665 1.00 74.12 H new ATOM 0 HD23 LEU A 34 2.702 -6.742 1.111 1.00 74.12 H new ATOM 616 N ARG A 44 -1.357 -10.577 -4.077 1.00 13.01 N ATOM 617 CA ARG A 44 -1.172 -10.295 -5.499 1.00 2.21 C ATOM 618 C ARG A 44 0.311 -10.337 -5.892 1.00 73.50 C ATOM 619 O ARG A 44 0.612 -10.738 -7.014 1.00 73.33 O ATOM 620 CB ARG A 44 -1.785 -8.935 -5.908 1.00 61.20 C ATOM 621 CG ARG A 44 -3.056 -9.089 -6.771 1.00 74.20 C ATOM 622 CD ARG A 44 -4.299 -8.401 -6.182 1.00 4.11 C ATOM 623 NE ARG A 44 -5.244 -7.909 -7.198 1.00 51.30 N ATOM 624 CZ ARG A 44 -6.195 -6.985 -6.992 1.00 33.15 C ATOM 625 NH1 ARG A 44 -6.332 -6.408 -5.799 1.00 30.14 N ATOM 626 NH2 ARG A 44 -7.011 -6.641 -7.983 1.00 43.00 N ATOM 0 HA ARG A 44 -1.701 -11.081 -6.039 1.00 2.21 H new ATOM 0 HB2 ARG A 44 -2.027 -8.366 -5.011 1.00 61.20 H new ATOM 0 HB3 ARG A 44 -1.043 -8.358 -6.461 1.00 61.20 H new ATOM 0 HG2 ARG A 44 -2.862 -8.679 -7.762 1.00 74.20 H new ATOM 0 HG3 ARG A 44 -3.268 -10.150 -6.901 1.00 74.20 H new ATOM 0 HD2 ARG A 44 -4.816 -9.104 -5.528 1.00 4.11 H new ATOM 0 HD3 ARG A 44 -3.979 -7.564 -5.561 1.00 4.11 H new ATOM 0 HE ARG A 44 -5.170 -8.303 -8.136 1.00 51.30 H new ATOM 0 HH11 ARG A 44 -5.711 -6.668 -5.033 1.00 30.14 H new ATOM 0 HH12 ARG A 44 -7.058 -5.707 -5.652 1.00 30.14 H new ATOM 0 HH21 ARG A 44 -6.914 -7.079 -8.899 1.00 43.00 H new ATOM 0 HH22 ARG A 44 -7.734 -5.939 -7.828 1.00 43.00 H new ATOM 637 N GLY A 45 1.229 -9.911 -5.021 1.00 45.21 N ATOM 638 CA GLY A 45 2.529 -9.387 -5.436 1.00 41.42 C ATOM 639 C GLY A 45 2.602 -7.882 -5.181 1.00 52.34 C ATOM 640 O GLY A 45 3.595 -7.258 -5.560 1.00 24.11 O ATOM 0 H GLY A 45 1.091 -9.920 -4.010 1.00 45.21 H new ATOM 0 HA2 GLY A 45 3.324 -9.894 -4.889 1.00 41.42 H new ATOM 0 HA3 GLY A 45 2.690 -9.591 -6.495 1.00 41.42 H new ATOM 644 N PHE A 46 1.578 -7.320 -4.523 1.00 45.24 N ATOM 645 CA PHE A 46 1.599 -6.039 -3.851 1.00 24.45 C ATOM 646 C PHE A 46 0.747 -6.122 -2.587 1.00 64.31 C ATOM 647 O PHE A 46 -0.147 -6.976 -2.484 1.00 70.51 O ATOM 648 CB PHE A 46 1.101 -4.933 -4.797 1.00 30.43 C ATOM 649 CG PHE A 46 -0.212 -5.179 -5.512 1.00 4.43 C ATOM 650 CD1 PHE A 46 -1.437 -5.161 -4.820 1.00 51.43 C ATOM 651 CD2 PHE A 46 -0.201 -5.375 -6.905 1.00 41.33 C ATOM 652 CE1 PHE A 46 -2.637 -5.357 -5.520 1.00 70.53 C ATOM 653 CE2 PHE A 46 -1.400 -5.562 -7.607 1.00 5.35 C ATOM 654 CZ PHE A 46 -2.618 -5.564 -6.911 1.00 14.42 C ATOM 0 H PHE A 46 0.671 -7.781 -4.449 1.00 45.24 H new ATOM 0 HA PHE A 46 2.620 -5.787 -3.564 1.00 24.45 H new ATOM 0 HB2 PHE A 46 1.006 -4.012 -4.221 1.00 30.43 H new ATOM 0 HB3 PHE A 46 1.870 -4.760 -5.550 1.00 30.43 H new ATOM 0 HD1 PHE A 46 -1.453 -4.997 -3.753 1.00 51.43 H new ATOM 0 HD2 PHE A 46 0.738 -5.381 -7.438 1.00 41.33 H new ATOM 0 HE1 PHE A 46 -3.578 -5.349 -4.989 1.00 70.53 H new ATOM 0 HE2 PHE A 46 -1.386 -5.704 -8.678 1.00 5.35 H new ATOM 0 HZ PHE A 46 -3.543 -5.725 -7.444 1.00 14.42 H new ATOM 663 N ALA A 47 0.995 -5.203 -1.653 1.00 43.03 N ATOM 664 CA ALA A 47 0.027 -4.822 -0.638 1.00 12.12 C ATOM 665 C ALA A 47 -0.831 -3.675 -1.151 1.00 10.15 C ATOM 666 O ALA A 47 -0.501 -3.058 -2.164 1.00 44.24 O ATOM 667 CB ALA A 47 0.737 -4.337 0.626 1.00 2.32 C ATOM 0 H ALA A 47 1.881 -4.702 -1.584 1.00 43.03 H new ATOM 0 HA ALA A 47 -0.585 -5.696 -0.413 1.00 12.12 H new ATOM 0 HB1 ALA A 47 -0.004 -4.056 1.374 1.00 2.32 H new ATOM 0 HB2 ALA A 47 1.366 -5.136 1.020 1.00 2.32 H new ATOM 0 HB3 ALA A 47 1.356 -3.473 0.386 1.00 2.32 H new ATOM 673 N PHE A 48 -1.847 -3.335 -0.365 1.00 51.22 N ATOM 674 CA PHE A 48 -2.318 -1.973 -0.205 1.00 14.03 C ATOM 675 C PHE A 48 -1.887 -1.541 1.200 1.00 12.33 C ATOM 676 O PHE A 48 -1.990 -2.343 2.129 1.00 53.52 O ATOM 677 CB PHE A 48 -3.850 -1.956 -0.340 1.00 43.33 C ATOM 678 CG PHE A 48 -4.372 -2.449 -1.678 1.00 21.22 C ATOM 679 CD1 PHE A 48 -3.997 -1.789 -2.863 1.00 1.05 C ATOM 680 CD2 PHE A 48 -5.209 -3.581 -1.747 1.00 33.04 C ATOM 681 CE1 PHE A 48 -4.440 -2.267 -4.106 1.00 22.51 C ATOM 682 CE2 PHE A 48 -5.667 -4.048 -2.992 1.00 32.23 C ATOM 683 CZ PHE A 48 -5.273 -3.394 -4.172 1.00 74.21 C ATOM 0 H PHE A 48 -2.372 -4.014 0.186 1.00 51.22 H new ATOM 0 HA PHE A 48 -1.910 -1.297 -0.957 1.00 14.03 H new ATOM 0 HB2 PHE A 48 -4.278 -2.571 0.451 1.00 43.33 H new ATOM 0 HB3 PHE A 48 -4.205 -0.938 -0.179 1.00 43.33 H new ATOM 0 HD1 PHE A 48 -3.367 -0.913 -2.816 1.00 1.05 H new ATOM 0 HD2 PHE A 48 -5.500 -4.091 -0.841 1.00 33.04 H new ATOM 0 HE1 PHE A 48 -4.139 -1.766 -5.014 1.00 22.51 H new ATOM 0 HE2 PHE A 48 -6.320 -4.907 -3.041 1.00 32.23 H new ATOM 0 HZ PHE A 48 -5.612 -3.759 -5.130 1.00 74.21 H new ATOM 692 N VAL A 49 -1.444 -0.300 1.375 1.00 44.13 N ATOM 693 CA VAL A 49 -1.399 0.407 2.654 1.00 21.24 C ATOM 694 C VAL A 49 -2.416 1.526 2.586 1.00 4.55 C ATOM 695 O VAL A 49 -2.420 2.230 1.586 1.00 45.50 O ATOM 696 CB VAL A 49 0.015 0.936 2.957 1.00 10.22 C ATOM 697 CG1 VAL A 49 0.765 1.601 1.833 1.00 41.43 C ATOM 698 CG2 VAL A 49 0.046 1.821 4.211 1.00 1.32 C ATOM 0 H VAL A 49 -1.093 0.264 0.601 1.00 44.13 H new ATOM 0 HA VAL A 49 -1.643 -0.271 3.472 1.00 21.24 H new ATOM 0 HB VAL A 49 0.564 0.010 3.130 1.00 10.22 H new ATOM 0 HG11 VAL A 49 1.743 1.923 2.189 1.00 41.43 H new ATOM 0 HG12 VAL A 49 0.892 0.895 1.012 1.00 41.43 H new ATOM 0 HG13 VAL A 49 0.203 2.467 1.483 1.00 41.43 H new ATOM 0 HG21 VAL A 49 1.064 2.171 4.385 1.00 1.32 H new ATOM 0 HG22 VAL A 49 -0.613 2.678 4.068 1.00 1.32 H new ATOM 0 HG23 VAL A 49 -0.291 1.244 5.072 1.00 1.32 H new ATOM 708 N GLU A 50 -3.250 1.713 3.604 1.00 11.44 N ATOM 709 CA GLU A 50 -4.181 2.817 3.730 1.00 1.45 C ATOM 710 C GLU A 50 -3.542 3.910 4.607 1.00 34.31 C ATOM 711 O GLU A 50 -2.761 3.613 5.511 1.00 21.11 O ATOM 712 CB GLU A 50 -5.451 2.238 4.376 1.00 44.11 C ATOM 713 CG GLU A 50 -6.706 3.069 4.101 1.00 3.53 C ATOM 714 CD GLU A 50 -7.921 2.566 4.898 1.00 72.24 C ATOM 715 OE1 GLU A 50 -7.936 1.405 5.369 1.00 51.44 O ATOM 716 OE2 GLU A 50 -8.867 3.349 5.122 1.00 72.25 O ATOM 0 H GLU A 50 -3.293 1.069 4.394 1.00 11.44 H new ATOM 0 HA GLU A 50 -4.427 3.272 2.771 1.00 1.45 H new ATOM 0 HB2 GLU A 50 -5.607 1.224 4.007 1.00 44.11 H new ATOM 0 HB3 GLU A 50 -5.301 2.166 5.453 1.00 44.11 H new ATOM 0 HG2 GLU A 50 -6.513 4.111 4.355 1.00 3.53 H new ATOM 0 HG3 GLU A 50 -6.934 3.038 3.036 1.00 3.53 H new ATOM 721 N PHE A 51 -3.892 5.176 4.387 1.00 3.33 N ATOM 722 CA PHE A 51 -3.439 6.353 5.117 1.00 50.14 C ATOM 723 C PHE A 51 -4.686 7.155 5.510 1.00 65.22 C ATOM 724 O PHE A 51 -5.726 7.042 4.859 1.00 70.12 O ATOM 725 CB PHE A 51 -2.523 7.216 4.226 1.00 5.10 C ATOM 726 CG PHE A 51 -1.140 6.680 3.872 1.00 12.33 C ATOM 727 CD1 PHE A 51 -0.961 5.467 3.174 1.00 5.32 C ATOM 728 CD2 PHE A 51 -0.008 7.456 4.190 1.00 63.12 C ATOM 729 CE1 PHE A 51 0.331 5.029 2.853 1.00 31.23 C ATOM 730 CE2 PHE A 51 1.282 7.019 3.833 1.00 22.15 C ATOM 731 CZ PHE A 51 1.451 5.802 3.164 1.00 2.31 C ATOM 0 H PHE A 51 -4.545 5.420 3.642 1.00 3.33 H new ATOM 0 HA PHE A 51 -2.871 6.058 5.999 1.00 50.14 H new ATOM 0 HB2 PHE A 51 -3.053 7.408 3.293 1.00 5.10 H new ATOM 0 HB3 PHE A 51 -2.389 8.178 4.721 1.00 5.10 H new ATOM 0 HD1 PHE A 51 -1.819 4.877 2.887 1.00 5.32 H new ATOM 0 HD2 PHE A 51 -0.131 8.394 4.712 1.00 63.12 H new ATOM 0 HE1 PHE A 51 0.462 4.079 2.357 1.00 31.23 H new ATOM 0 HE2 PHE A 51 2.143 7.624 4.076 1.00 22.15 H new ATOM 0 HZ PHE A 51 2.439 5.463 2.891 1.00 2.31 H new ATOM 740 N SER A 52 -4.576 8.004 6.532 1.00 12.10 N ATOM 741 CA SER A 52 -5.683 8.796 7.061 1.00 54.55 C ATOM 742 C SER A 52 -5.505 10.298 6.801 1.00 13.40 C ATOM 743 O SER A 52 -6.405 11.092 7.095 1.00 30.13 O ATOM 744 CB SER A 52 -5.814 8.512 8.558 1.00 25.43 C ATOM 745 OG SER A 52 -6.928 7.675 8.759 1.00 32.02 O ATOM 0 H SER A 52 -3.697 8.162 7.024 1.00 12.10 H new ATOM 0 HA SER A 52 -6.597 8.505 6.543 1.00 54.55 H new ATOM 0 HB2 SER A 52 -4.909 8.034 8.933 1.00 25.43 H new ATOM 0 HB3 SER A 52 -5.936 9.443 9.111 1.00 25.43 H new ATOM 0 HG SER A 52 -7.024 7.482 9.715 1.00 32.02 H new ATOM 750 N HIS A 53 -4.365 10.714 6.250 1.00 54.43 N ATOM 751 CA HIS A 53 -4.096 12.083 5.840 1.00 33.12 C ATOM 752 C HIS A 53 -3.564 11.997 4.420 1.00 74.02 C ATOM 753 O HIS A 53 -2.643 11.224 4.148 1.00 73.34 O ATOM 754 CB HIS A 53 -3.063 12.794 6.730 1.00 3.33 C ATOM 755 CG HIS A 53 -3.413 13.029 8.186 1.00 63.41 C ATOM 756 ND1 HIS A 53 -3.194 14.209 8.863 1.00 63.14 N ATOM 757 CD2 HIS A 53 -3.897 12.130 9.101 1.00 72.42 C ATOM 758 CE1 HIS A 53 -3.559 14.037 10.142 1.00 53.45 C ATOM 759 NE2 HIS A 53 -4.008 12.786 10.335 1.00 50.41 N ATOM 0 H HIS A 53 -3.582 10.085 6.073 1.00 54.43 H new ATOM 0 HA HIS A 53 -5.012 12.669 5.921 1.00 33.12 H new ATOM 0 HB2 HIS A 53 -2.141 12.214 6.699 1.00 3.33 H new ATOM 0 HB3 HIS A 53 -2.846 13.762 6.279 1.00 3.33 H new ATOM 0 HD2 HIS A 53 -4.149 11.098 8.906 1.00 72.42 H new ATOM 0 HE1 HIS A 53 -3.500 14.796 10.908 1.00 53.45 H new ATOM 0 HE2 HIS A 53 -4.360 12.391 11.207 1.00 50.41 H new ATOM 766 N LEU A 54 -4.131 12.807 3.528 1.00 63.12 N ATOM 767 CA LEU A 54 -3.805 12.821 2.110 1.00 45.15 C ATOM 768 C LEU A 54 -2.321 13.053 1.827 1.00 14.44 C ATOM 769 O LEU A 54 -1.835 12.570 0.809 1.00 63.15 O ATOM 770 CB LEU A 54 -4.676 13.851 1.359 1.00 70.35 C ATOM 771 CG LEU A 54 -4.439 15.351 1.654 1.00 23.20 C ATOM 772 CD1 LEU A 54 -5.205 16.193 0.629 1.00 2.44 C ATOM 773 CD2 LEU A 54 -4.912 15.760 3.059 1.00 24.11 C ATOM 0 H LEU A 54 -4.847 13.487 3.781 1.00 63.12 H new ATOM 0 HA LEU A 54 -4.030 11.822 1.736 1.00 45.15 H new ATOM 0 HB2 LEU A 54 -4.533 13.694 0.290 1.00 70.35 H new ATOM 0 HB3 LEU A 54 -5.720 13.628 1.577 1.00 70.35 H new ATOM 0 HG LEU A 54 -3.364 15.523 1.594 1.00 23.20 H new ATOM 0 HD11 LEU A 54 -5.041 17.251 0.832 1.00 2.44 H new ATOM 0 HD12 LEU A 54 -4.850 15.957 -0.374 1.00 2.44 H new ATOM 0 HD13 LEU A 54 -6.270 15.971 0.698 1.00 2.44 H new ATOM 0 HD21 LEU A 54 -4.722 16.822 3.212 1.00 24.11 H new ATOM 0 HD22 LEU A 54 -5.980 15.565 3.154 1.00 24.11 H new ATOM 0 HD23 LEU A 54 -4.370 15.183 3.808 1.00 24.11 H new ATOM 784 N GLN A 55 -1.604 13.790 2.686 1.00 11.41 N ATOM 785 CA GLN A 55 -0.264 14.237 2.331 1.00 63.21 C ATOM 786 C GLN A 55 0.755 13.110 2.517 1.00 65.22 C ATOM 787 O GLN A 55 1.670 12.979 1.712 1.00 30.23 O ATOM 788 CB GLN A 55 0.098 15.537 3.079 1.00 44.31 C ATOM 789 CG GLN A 55 0.902 15.448 4.386 1.00 62.03 C ATOM 790 CD GLN A 55 0.112 14.885 5.559 1.00 70.34 C ATOM 791 OE1 GLN A 55 -0.967 15.369 5.888 1.00 51.42 O ATOM 792 NE2 GLN A 55 0.643 13.876 6.224 1.00 70.33 N ATOM 0 H GLN A 55 -1.926 14.081 3.609 1.00 11.41 H new ATOM 0 HA GLN A 55 -0.239 14.487 1.270 1.00 63.21 H new ATOM 0 HB2 GLN A 55 0.660 16.167 2.390 1.00 44.31 H new ATOM 0 HB3 GLN A 55 -0.833 16.059 3.301 1.00 44.31 H new ATOM 0 HG2 GLN A 55 1.780 14.824 4.219 1.00 62.03 H new ATOM 0 HG3 GLN A 55 1.263 16.443 4.648 1.00 62.03 H new ATOM 0 HE21 GLN A 55 1.541 13.489 5.933 1.00 70.33 H new ATOM 0 HE22 GLN A 55 0.155 13.483 7.029 1.00 70.33 H new ATOM 799 N ASP A 56 0.614 12.281 3.562 1.00 31.10 N ATOM 800 CA ASP A 56 1.651 11.305 3.927 1.00 61.01 C ATOM 801 C ASP A 56 1.747 10.195 2.885 1.00 22.53 C ATOM 802 O ASP A 56 2.817 9.605 2.734 1.00 22.50 O ATOM 803 CB ASP A 56 1.433 10.706 5.338 1.00 32.43 C ATOM 804 CG ASP A 56 2.354 11.273 6.427 1.00 63.12 C ATOM 805 OD1 ASP A 56 2.978 12.341 6.213 1.00 44.41 O ATOM 806 OD2 ASP A 56 2.379 10.671 7.528 1.00 10.23 O ATOM 0 H ASP A 56 -0.206 12.267 4.168 1.00 31.10 H new ATOM 0 HA ASP A 56 2.596 11.848 3.951 1.00 61.01 H new ATOM 0 HB2 ASP A 56 0.397 10.875 5.633 1.00 32.43 H new ATOM 0 HB3 ASP A 56 1.577 9.627 5.286 1.00 32.43 H new ATOM 810 N ALA A 57 0.659 9.937 2.150 1.00 32.40 N ATOM 811 CA ALA A 57 0.617 8.973 1.062 1.00 21.21 C ATOM 812 C ALA A 57 1.599 9.425 -0.017 1.00 74.13 C ATOM 813 O ALA A 57 2.491 8.668 -0.411 1.00 5.45 O ATOM 814 CB ALA A 57 -0.822 8.839 0.565 1.00 32.20 C ATOM 0 H ALA A 57 -0.233 10.407 2.304 1.00 32.40 H new ATOM 0 HA ALA A 57 0.925 7.979 1.386 1.00 21.21 H new ATOM 0 HB1 ALA A 57 -0.859 8.117 -0.251 1.00 32.20 H new ATOM 0 HB2 ALA A 57 -1.458 8.497 1.381 1.00 32.20 H new ATOM 0 HB3 ALA A 57 -1.176 9.807 0.210 1.00 32.20 H new ATOM 820 N THR A 58 1.488 10.687 -0.435 1.00 11.11 N ATOM 821 CA THR A 58 2.352 11.249 -1.452 1.00 11.10 C ATOM 822 C THR A 58 3.762 11.380 -0.918 1.00 53.15 C ATOM 823 O THR A 58 4.711 11.078 -1.634 1.00 65.23 O ATOM 824 CB THR A 58 1.849 12.621 -1.932 1.00 53.11 C ATOM 825 OG1 THR A 58 0.556 12.958 -1.461 1.00 12.00 O ATOM 826 CG2 THR A 58 1.851 12.588 -3.455 1.00 32.32 C ATOM 0 H THR A 58 0.794 11.341 -0.073 1.00 11.11 H new ATOM 0 HA THR A 58 2.343 10.571 -2.305 1.00 11.10 H new ATOM 0 HB THR A 58 2.511 13.387 -1.529 1.00 53.11 H new ATOM 0 HG1 THR A 58 -0.070 12.237 -1.681 1.00 12.00 H new ATOM 0 HG21 THR A 58 1.500 13.545 -3.840 1.00 32.32 H new ATOM 0 HG22 THR A 58 2.863 12.402 -3.814 1.00 32.32 H new ATOM 0 HG23 THR A 58 1.191 11.793 -3.803 1.00 32.32 H new ATOM 834 N ARG A 59 3.904 11.783 0.347 1.00 51.15 N ATOM 835 CA ARG A 59 5.184 11.863 1.024 1.00 11.34 C ATOM 836 C ARG A 59 5.950 10.564 0.822 1.00 12.45 C ATOM 837 O ARG A 59 7.083 10.602 0.357 1.00 5.02 O ATOM 838 CB ARG A 59 4.926 12.223 2.476 1.00 4.00 C ATOM 839 CG ARG A 59 6.032 13.070 3.104 1.00 45.43 C ATOM 840 CD ARG A 59 5.508 13.290 4.513 1.00 41.43 C ATOM 841 NE ARG A 59 6.321 14.195 5.332 1.00 43.04 N ATOM 842 CZ ARG A 59 5.883 14.740 6.473 1.00 73.41 C ATOM 843 NH1 ARG A 59 4.724 14.359 7.012 1.00 13.11 N ATOM 844 NH2 ARG A 59 6.605 15.685 7.060 1.00 13.04 N ATOM 0 H ARG A 59 3.117 12.065 0.931 1.00 51.15 H new ATOM 0 HA ARG A 59 5.822 12.643 0.609 1.00 11.34 H new ATOM 0 HB2 ARG A 59 3.982 12.764 2.545 1.00 4.00 H new ATOM 0 HB3 ARG A 59 4.810 11.306 3.054 1.00 4.00 H new ATOM 0 HG2 ARG A 59 6.991 12.553 3.103 1.00 45.43 H new ATOM 0 HG3 ARG A 59 6.176 14.010 2.572 1.00 45.43 H new ATOM 0 HD2 ARG A 59 4.495 13.688 4.452 1.00 41.43 H new ATOM 0 HD3 ARG A 59 5.442 12.326 5.017 1.00 41.43 H new ATOM 0 HE ARG A 59 7.265 14.420 5.017 1.00 43.04 H new ATOM 0 HH11 ARG A 59 4.159 13.644 6.554 1.00 13.11 H new ATOM 0 HH12 ARG A 59 4.402 14.783 7.882 1.00 13.11 H new ATOM 0 HH21 ARG A 59 7.484 15.989 6.641 1.00 13.04 H new ATOM 0 HH22 ARG A 59 6.281 16.108 7.930 1.00 13.04 H new ATOM 855 N TRP A 60 5.306 9.428 1.093 1.00 12.44 N ATOM 856 CA TRP A 60 5.948 8.129 1.010 1.00 50.41 C ATOM 857 C TRP A 60 6.336 7.803 -0.431 1.00 51.11 C ATOM 858 O TRP A 60 7.437 7.305 -0.664 1.00 24.22 O ATOM 859 CB TRP A 60 5.020 7.075 1.628 1.00 12.12 C ATOM 860 CG TRP A 60 5.688 5.856 2.187 1.00 42.42 C ATOM 861 CD1 TRP A 60 6.739 5.851 3.040 1.00 13.12 C ATOM 862 CD2 TRP A 60 5.315 4.459 2.008 1.00 12.21 C ATOM 863 NE1 TRP A 60 7.040 4.549 3.392 1.00 72.21 N ATOM 864 CE2 TRP A 60 6.221 3.644 2.746 1.00 51.34 C ATOM 865 CE3 TRP A 60 4.275 3.802 1.322 1.00 51.40 C ATOM 866 CZ2 TRP A 60 6.125 2.243 2.751 1.00 30.23 C ATOM 867 CZ3 TRP A 60 4.132 2.406 1.375 1.00 23.45 C ATOM 868 CH2 TRP A 60 5.057 1.625 2.083 1.00 61.33 C ATOM 0 H TRP A 60 4.327 9.389 1.375 1.00 12.44 H new ATOM 0 HA TRP A 60 6.879 8.135 1.577 1.00 50.41 H new ATOM 0 HB2 TRP A 60 4.446 7.548 2.425 1.00 12.12 H new ATOM 0 HB3 TRP A 60 4.307 6.757 0.867 1.00 12.12 H new ATOM 0 HD1 TRP A 60 7.261 6.729 3.391 1.00 13.12 H new ATOM 0 HE1 TRP A 60 7.776 4.289 4.048 1.00 72.21 H new ATOM 0 HE3 TRP A 60 3.573 4.384 0.743 1.00 51.40 H new ATOM 0 HZ2 TRP A 60 6.866 1.647 3.264 1.00 30.23 H new ATOM 0 HZ3 TRP A 60 3.305 1.931 0.868 1.00 23.45 H new ATOM 0 HH2 TRP A 60 4.948 0.551 2.114 1.00 61.33 H new ATOM 878 N MET A 61 5.458 8.084 -1.400 1.00 74.22 N ATOM 879 CA MET A 61 5.734 7.833 -2.810 1.00 41.32 C ATOM 880 C MET A 61 6.900 8.683 -3.302 1.00 14.13 C ATOM 881 O MET A 61 7.901 8.150 -3.778 1.00 44.14 O ATOM 882 CB MET A 61 4.497 8.080 -3.687 1.00 65.52 C ATOM 883 CG MET A 61 3.326 7.135 -3.384 1.00 5.24 C ATOM 884 SD MET A 61 2.588 6.336 -4.840 1.00 41.13 S ATOM 885 CE MET A 61 2.198 7.790 -5.855 1.00 31.22 C ATOM 0 H MET A 61 4.539 8.491 -1.225 1.00 74.22 H new ATOM 0 HA MET A 61 6.005 6.781 -2.896 1.00 41.32 H new ATOM 0 HB2 MET A 61 4.166 9.110 -3.551 1.00 65.52 H new ATOM 0 HB3 MET A 61 4.778 7.972 -4.735 1.00 65.52 H new ATOM 0 HG2 MET A 61 3.671 6.361 -2.699 1.00 5.24 H new ATOM 0 HG3 MET A 61 2.550 7.697 -2.864 1.00 5.24 H new ATOM 0 HE1 MET A 61 1.455 7.521 -6.606 1.00 31.22 H new ATOM 0 HE2 MET A 61 1.801 8.581 -5.219 1.00 31.22 H new ATOM 0 HE3 MET A 61 3.103 8.142 -6.350 1.00 31.22 H new ATOM 893 N GLU A 62 6.749 10.003 -3.245 1.00 71.10 N ATOM 894 CA GLU A 62 7.631 10.947 -3.915 1.00 10.04 C ATOM 895 C GLU A 62 8.998 10.934 -3.259 1.00 63.30 C ATOM 896 O GLU A 62 10.006 10.965 -3.963 1.00 11.23 O ATOM 897 CB GLU A 62 7.022 12.358 -3.911 1.00 73.54 C ATOM 898 CG GLU A 62 5.665 12.306 -4.622 1.00 43.45 C ATOM 899 CD GLU A 62 5.114 13.662 -5.060 1.00 42.01 C ATOM 900 OE1 GLU A 62 5.041 14.611 -4.241 1.00 31.11 O ATOM 901 OE2 GLU A 62 4.665 13.751 -6.224 1.00 72.42 O ATOM 0 H GLU A 62 5.997 10.452 -2.722 1.00 71.10 H new ATOM 0 HA GLU A 62 7.748 10.644 -4.955 1.00 10.04 H new ATOM 0 HB2 GLU A 62 6.900 12.715 -2.888 1.00 73.54 H new ATOM 0 HB3 GLU A 62 7.687 13.059 -4.416 1.00 73.54 H new ATOM 0 HG2 GLU A 62 5.756 11.667 -5.500 1.00 43.45 H new ATOM 0 HG3 GLU A 62 4.941 11.834 -3.958 1.00 43.45 H new ATOM 906 N ALA A 63 9.041 10.799 -1.930 1.00 22.55 N ATOM 907 CA ALA A 63 10.298 10.662 -1.194 1.00 51.44 C ATOM 908 C ALA A 63 11.105 9.496 -1.738 1.00 44.43 C ATOM 909 O ALA A 63 12.311 9.626 -1.962 1.00 10.12 O ATOM 910 CB ALA A 63 10.065 10.472 0.308 1.00 43.01 C ATOM 0 H ALA A 63 8.210 10.782 -1.339 1.00 22.55 H new ATOM 0 HA ALA A 63 10.855 11.589 -1.333 1.00 51.44 H new ATOM 0 HB1 ALA A 63 11.025 10.375 0.816 1.00 43.01 H new ATOM 0 HB2 ALA A 63 9.530 11.335 0.705 1.00 43.01 H new ATOM 0 HB3 ALA A 63 9.474 9.571 0.473 1.00 43.01 H new ATOM 916 N ASN A 64 10.436 8.370 -1.975 1.00 32.52 N ATOM 917 CA ASN A 64 11.078 7.148 -2.424 1.00 30.51 C ATOM 918 C ASN A 64 11.188 7.080 -3.937 1.00 70.24 C ATOM 919 O ASN A 64 11.493 6.021 -4.473 1.00 54.30 O ATOM 920 CB ASN A 64 10.397 5.923 -1.801 1.00 31.52 C ATOM 921 CG ASN A 64 10.713 5.895 -0.317 1.00 30.32 C ATOM 922 OD1 ASN A 64 11.853 5.646 0.067 1.00 52.00 O ATOM 923 ND2 ASN A 64 9.765 6.216 0.544 1.00 43.40 N ATOM 0 H ASN A 64 9.426 8.285 -1.859 1.00 32.52 H new ATOM 0 HA ASN A 64 12.108 7.150 -2.068 1.00 30.51 H new ATOM 0 HB2 ASN A 64 9.319 5.969 -1.957 1.00 31.52 H new ATOM 0 HB3 ASN A 64 10.750 5.010 -2.280 1.00 31.52 H new ATOM 0 HD21 ASN A 64 9.975 6.260 1.541 1.00 43.40 H new ATOM 0 HD22 ASN A 64 8.822 6.420 0.212 1.00 43.40 H new ATOM 929 N GLN A 65 10.939 8.191 -4.641 1.00 22.33 N ATOM 930 CA GLN A 65 11.072 8.300 -6.092 1.00 51.11 C ATOM 931 C GLN A 65 10.183 7.264 -6.792 1.00 62.22 C ATOM 932 O GLN A 65 10.454 6.860 -7.921 1.00 45.14 O ATOM 933 CB GLN A 65 12.561 8.235 -6.503 1.00 72.30 C ATOM 934 CG GLN A 65 13.372 9.418 -5.947 1.00 71.50 C ATOM 935 CD GLN A 65 14.830 9.056 -5.676 1.00 62.32 C ATOM 936 OE1 GLN A 65 15.717 9.261 -6.506 1.00 34.11 O ATOM 937 NE2 GLN A 65 15.111 8.524 -4.499 1.00 2.42 N ATOM 0 H GLN A 65 10.632 9.059 -4.202 1.00 22.33 H new ATOM 0 HA GLN A 65 10.712 9.274 -6.425 1.00 51.11 H new ATOM 0 HB2 GLN A 65 12.994 7.301 -6.146 1.00 72.30 H new ATOM 0 HB3 GLN A 65 12.635 8.225 -7.590 1.00 72.30 H new ATOM 0 HG2 GLN A 65 13.333 10.245 -6.656 1.00 71.50 H new ATOM 0 HG3 GLN A 65 12.911 9.767 -5.023 1.00 71.50 H new ATOM 0 HE21 GLN A 65 14.366 8.360 -3.822 1.00 2.42 H new ATOM 0 HE22 GLN A 65 16.073 8.277 -4.268 1.00 2.42 H new ATOM 944 N HIS A 66 9.095 6.875 -6.122 1.00 70.33 N ATOM 945 CA HIS A 66 8.162 5.824 -6.486 1.00 53.33 C ATOM 946 C HIS A 66 8.734 4.388 -6.429 1.00 63.53 C ATOM 947 O HIS A 66 8.021 3.476 -6.857 1.00 71.33 O ATOM 948 CB HIS A 66 7.454 6.102 -7.828 1.00 51.44 C ATOM 949 CG HIS A 66 6.753 7.431 -8.017 1.00 44.11 C ATOM 950 ND1 HIS A 66 6.138 7.813 -9.187 1.00 50.32 N ATOM 951 CD2 HIS A 66 6.554 8.436 -7.104 1.00 25.13 C ATOM 952 CE1 HIS A 66 5.550 9.000 -8.976 1.00 72.10 C ATOM 953 NE2 HIS A 66 5.793 9.436 -7.725 1.00 1.23 N ATOM 0 H HIS A 66 8.830 7.325 -5.246 1.00 70.33 H new ATOM 0 HA HIS A 66 7.411 5.857 -5.696 1.00 53.33 H new ATOM 0 HB2 HIS A 66 8.196 6.004 -8.620 1.00 51.44 H new ATOM 0 HB3 HIS A 66 6.717 5.314 -7.983 1.00 51.44 H new ATOM 0 HD2 HIS A 66 6.919 8.453 -6.088 1.00 25.13 H new ATOM 0 HE1 HIS A 66 4.962 9.533 -9.709 1.00 72.10 H new ATOM 0 HE2 HIS A 66 5.485 10.317 -7.313 1.00 1.23 H new ATOM 960 N SER A 67 9.937 4.124 -5.899 1.00 4.45 N ATOM 961 CA SER A 67 10.538 2.786 -5.954 1.00 21.55 C ATOM 962 C SER A 67 11.402 2.443 -4.731 1.00 4.45 C ATOM 963 O SER A 67 12.540 2.892 -4.606 1.00 44.14 O ATOM 964 CB SER A 67 11.280 2.579 -7.286 1.00 43.03 C ATOM 965 OG SER A 67 11.709 3.788 -7.896 1.00 24.34 O ATOM 0 H SER A 67 10.513 4.821 -5.427 1.00 4.45 H new ATOM 0 HA SER A 67 9.717 2.070 -5.913 1.00 21.55 H new ATOM 0 HB2 SER A 67 12.148 1.942 -7.113 1.00 43.03 H new ATOM 0 HB3 SER A 67 10.626 2.046 -7.977 1.00 43.03 H new ATOM 0 HG SER A 67 12.173 3.584 -8.735 1.00 24.34 H new ATOM 970 N LEU A 68 10.858 1.623 -3.827 1.00 3.25 N ATOM 971 CA LEU A 68 11.495 1.127 -2.601 1.00 43.32 C ATOM 972 C LEU A 68 12.364 -0.107 -2.860 1.00 10.41 C ATOM 973 O LEU A 68 12.450 -0.595 -3.992 1.00 21.35 O ATOM 974 CB LEU A 68 10.405 0.730 -1.592 1.00 14.01 C ATOM 975 CG LEU A 68 9.530 1.871 -1.049 1.00 31.53 C ATOM 976 CD1 LEU A 68 8.261 1.325 -0.376 1.00 62.24 C ATOM 977 CD2 LEU A 68 10.308 2.676 -0.016 1.00 14.25 C ATOM 0 H LEU A 68 9.908 1.267 -3.936 1.00 3.25 H new ATOM 0 HA LEU A 68 12.129 1.927 -2.218 1.00 43.32 H new ATOM 0 HB2 LEU A 68 9.754 -0.005 -2.064 1.00 14.01 H new ATOM 0 HB3 LEU A 68 10.885 0.235 -0.747 1.00 14.01 H new ATOM 0 HG LEU A 68 9.249 2.501 -1.893 1.00 31.53 H new ATOM 0 HD11 LEU A 68 7.662 2.155 -0.002 1.00 62.24 H new ATOM 0 HD12 LEU A 68 7.680 0.757 -1.102 1.00 62.24 H new ATOM 0 HD13 LEU A 68 8.540 0.676 0.454 1.00 62.24 H new ATOM 0 HD21 LEU A 68 9.681 3.483 0.364 1.00 14.25 H new ATOM 0 HD22 LEU A 68 10.600 2.025 0.808 1.00 14.25 H new ATOM 0 HD23 LEU A 68 11.200 3.097 -0.480 1.00 14.25 H new ATOM 988 N ASN A 69 12.977 -0.644 -1.797 1.00 5.02 N ATOM 989 CA ASN A 69 13.767 -1.873 -1.849 1.00 31.23 C ATOM 990 C ASN A 69 13.602 -2.652 -0.551 1.00 4.31 C ATOM 991 O ASN A 69 14.057 -2.192 0.499 1.00 53.30 O ATOM 992 CB ASN A 69 15.231 -1.524 -2.087 1.00 14.22 C ATOM 993 CG ASN A 69 16.082 -2.783 -2.253 1.00 64.21 C ATOM 994 OD1 ASN A 69 16.665 -3.278 -1.290 1.00 25.53 O ATOM 995 ND2 ASN A 69 16.164 -3.351 -3.443 1.00 33.35 N ATOM 0 H ASN A 69 12.935 -0.229 -0.866 1.00 5.02 H new ATOM 0 HA ASN A 69 13.417 -2.499 -2.670 1.00 31.23 H new ATOM 0 HB2 ASN A 69 15.319 -0.903 -2.978 1.00 14.22 H new ATOM 0 HB3 ASN A 69 15.608 -0.936 -1.250 1.00 14.22 H new ATOM 0 HD21 ASN A 69 16.712 -4.203 -3.565 1.00 33.35 H new ATOM 0 HD22 ASN A 69 15.679 -2.938 -4.240 1.00 33.35 H new ATOM 1001 N ILE A 70 12.902 -3.784 -0.591 1.00 23.33 N ATOM 1002 CA ILE A 70 12.499 -4.553 0.580 1.00 14.25 C ATOM 1003 C ILE A 70 12.915 -5.996 0.359 1.00 71.54 C ATOM 1004 O ILE A 70 12.676 -6.555 -0.716 1.00 34.45 O ATOM 1005 CB ILE A 70 10.980 -4.397 0.784 1.00 40.43 C ATOM 1006 CG1 ILE A 70 10.665 -2.918 1.092 1.00 52.23 C ATOM 1007 CG2 ILE A 70 10.435 -5.298 1.909 1.00 43.30 C ATOM 1008 CD1 ILE A 70 9.816 -2.244 0.021 1.00 23.14 C ATOM 0 H ILE A 70 12.591 -4.203 -1.468 1.00 23.33 H new ATOM 0 HA ILE A 70 12.984 -4.195 1.488 1.00 14.25 H new ATOM 0 HB ILE A 70 10.486 -4.711 -0.136 1.00 40.43 H new ATOM 0 HG12 ILE A 70 10.146 -2.856 2.049 1.00 52.23 H new ATOM 0 HG13 ILE A 70 11.601 -2.370 1.201 1.00 52.23 H new ATOM 0 HG21 ILE A 70 9.360 -5.146 2.008 1.00 43.30 H new ATOM 0 HG22 ILE A 70 10.633 -6.342 1.667 1.00 43.30 H new ATOM 0 HG23 ILE A 70 10.925 -5.044 2.849 1.00 43.30 H new ATOM 0 HD11 ILE A 70 9.633 -1.207 0.301 1.00 23.14 H new ATOM 0 HD12 ILE A 70 10.342 -2.274 -0.933 1.00 23.14 H new ATOM 0 HD13 ILE A 70 8.865 -2.768 -0.073 1.00 23.14 H new ATOM 1019 N LEU A 71 13.565 -6.585 1.369 1.00 3.42 N ATOM 1020 CA LEU A 71 14.201 -7.898 1.303 1.00 60.12 C ATOM 1021 C LEU A 71 15.179 -7.975 0.115 1.00 4.15 C ATOM 1022 O LEU A 71 15.511 -9.072 -0.331 1.00 22.43 O ATOM 1023 CB LEU A 71 13.144 -9.028 1.366 1.00 13.41 C ATOM 1024 CG LEU A 71 12.704 -9.416 2.793 1.00 0.34 C ATOM 1025 CD1 LEU A 71 11.856 -8.345 3.486 1.00 52.24 C ATOM 1026 CD2 LEU A 71 11.892 -10.717 2.736 1.00 2.04 C ATOM 0 H LEU A 71 13.664 -6.143 2.283 1.00 3.42 H new ATOM 0 HA LEU A 71 14.823 -8.052 2.185 1.00 60.12 H new ATOM 0 HB2 LEU A 71 12.265 -8.718 0.801 1.00 13.41 H new ATOM 0 HB3 LEU A 71 13.546 -9.912 0.871 1.00 13.41 H new ATOM 0 HG LEU A 71 13.617 -9.534 3.376 1.00 0.34 H new ATOM 0 HD11 LEU A 71 11.583 -8.687 4.485 1.00 52.24 H new ATOM 0 HD12 LEU A 71 12.429 -7.421 3.562 1.00 52.24 H new ATOM 0 HD13 LEU A 71 10.952 -8.165 2.905 1.00 52.24 H new ATOM 0 HD21 LEU A 71 11.579 -10.995 3.742 1.00 2.04 H new ATOM 0 HD22 LEU A 71 11.012 -10.569 2.110 1.00 2.04 H new ATOM 0 HD23 LEU A 71 12.508 -11.512 2.315 1.00 2.04 H new ATOM 1037 N GLY A 72 15.656 -6.823 -0.378 1.00 51.44 N ATOM 1038 CA GLY A 72 16.594 -6.694 -1.483 1.00 40.33 C ATOM 1039 C GLY A 72 15.936 -6.564 -2.854 1.00 21.44 C ATOM 1040 O GLY A 72 16.627 -6.179 -3.797 1.00 33.45 O ATOM 0 H GLY A 72 15.381 -5.919 0.006 1.00 51.44 H new ATOM 0 HA2 GLY A 72 17.223 -5.820 -1.310 1.00 40.33 H new ATOM 0 HA3 GLY A 72 17.251 -7.563 -1.490 1.00 40.33 H new ATOM 1044 N GLN A 73 14.630 -6.813 -2.996 1.00 14.25 N ATOM 1045 CA GLN A 73 13.959 -6.727 -4.281 1.00 44.31 C ATOM 1046 C GLN A 73 13.604 -5.272 -4.536 1.00 32.34 C ATOM 1047 O GLN A 73 13.173 -4.566 -3.621 1.00 5.11 O ATOM 1048 CB GLN A 73 12.683 -7.581 -4.283 1.00 72.31 C ATOM 1049 CG GLN A 73 12.960 -9.057 -4.605 1.00 25.54 C ATOM 1050 CD GLN A 73 13.861 -9.716 -3.573 1.00 12.24 C ATOM 1051 OE1 GLN A 73 13.442 -9.735 -2.320 1.00 15.42 O flip ATOM 1052 NE2 GLN A 73 14.950 -10.183 -3.883 1.00 73.13 N flip ATOM 0 H GLN A 73 14.018 -7.078 -2.224 1.00 14.25 H new ATOM 0 HA GLN A 73 14.618 -7.101 -5.064 1.00 44.31 H new ATOM 0 HB2 GLN A 73 12.201 -7.510 -3.308 1.00 72.31 H new ATOM 0 HB3 GLN A 73 11.982 -7.179 -5.015 1.00 72.31 H new ATOM 0 HG2 GLN A 73 12.015 -9.598 -4.657 1.00 25.54 H new ATOM 0 HG3 GLN A 73 13.424 -9.131 -5.588 1.00 25.54 H new ATOM 0 HE21 GLN A 73 15.257 -10.159 -4.855 1.00 73.13 H new ATOM 0 HE22 GLN A 73 15.550 -10.595 -3.169 1.00 73.13 H new ATOM 1059 N LYS A 74 13.726 -4.841 -5.790 1.00 31.23 N ATOM 1060 CA LYS A 74 13.157 -3.598 -6.268 1.00 32.53 C ATOM 1061 C LYS A 74 11.646 -3.692 -6.137 1.00 63.34 C ATOM 1062 O LYS A 74 11.046 -4.659 -6.610 1.00 71.54 O ATOM 1063 CB LYS A 74 13.578 -3.403 -7.726 1.00 34.53 C ATOM 1064 CG LYS A 74 12.897 -2.181 -8.357 1.00 70.22 C ATOM 1065 CD LYS A 74 13.527 -1.832 -9.707 1.00 24.44 C ATOM 1066 CE LYS A 74 14.659 -0.811 -9.556 1.00 71.31 C ATOM 1067 NZ LYS A 74 15.866 -1.348 -8.894 1.00 72.43 N ATOM 0 H LYS A 74 14.232 -5.359 -6.508 1.00 31.23 H new ATOM 0 HA LYS A 74 13.509 -2.744 -5.690 1.00 32.53 H new ATOM 0 HB2 LYS A 74 14.660 -3.284 -7.779 1.00 34.53 H new ATOM 0 HB3 LYS A 74 13.327 -4.295 -8.299 1.00 34.53 H new ATOM 0 HG2 LYS A 74 11.834 -2.382 -8.490 1.00 70.22 H new ATOM 0 HG3 LYS A 74 12.978 -1.328 -7.683 1.00 70.22 H new ATOM 0 HD2 LYS A 74 13.914 -2.738 -10.173 1.00 24.44 H new ATOM 0 HD3 LYS A 74 12.762 -1.432 -10.373 1.00 24.44 H new ATOM 0 HE2 LYS A 74 14.933 -0.439 -10.543 1.00 71.31 H new ATOM 0 HE3 LYS A 74 14.292 0.042 -8.984 1.00 71.31 H new ATOM 0 HZ1 LYS A 74 16.673 -0.718 -9.079 1.00 72.43 H new ATOM 0 HZ2 LYS A 74 15.702 -1.409 -7.869 1.00 72.43 H new ATOM 0 HZ3 LYS A 74 16.074 -2.296 -9.268 1.00 72.43 H new ATOM 1077 N VAL A 75 11.042 -2.667 -5.561 1.00 33.21 N ATOM 1078 CA VAL A 75 9.604 -2.515 -5.447 1.00 11.23 C ATOM 1079 C VAL A 75 9.245 -1.190 -6.133 1.00 42.42 C ATOM 1080 O VAL A 75 10.092 -0.308 -6.282 1.00 50.42 O ATOM 1081 CB VAL A 75 9.221 -2.614 -3.954 1.00 74.40 C ATOM 1082 CG1 VAL A 75 7.711 -2.525 -3.719 1.00 32.31 C ATOM 1083 CG2 VAL A 75 9.683 -3.947 -3.334 1.00 41.30 C ATOM 0 H VAL A 75 11.558 -1.891 -5.146 1.00 33.21 H new ATOM 0 HA VAL A 75 9.030 -3.297 -5.944 1.00 11.23 H new ATOM 0 HB VAL A 75 9.721 -1.767 -3.485 1.00 74.40 H new ATOM 0 HG11 VAL A 75 7.504 -2.601 -2.652 1.00 32.31 H new ATOM 0 HG12 VAL A 75 7.340 -1.571 -4.094 1.00 32.31 H new ATOM 0 HG13 VAL A 75 7.212 -3.340 -4.244 1.00 32.31 H new ATOM 0 HG21 VAL A 75 9.395 -3.979 -2.283 1.00 41.30 H new ATOM 0 HG22 VAL A 75 9.214 -4.776 -3.864 1.00 41.30 H new ATOM 0 HG23 VAL A 75 10.767 -4.030 -3.416 1.00 41.30 H new ATOM 1093 N SER A 76 7.996 -1.043 -6.567 1.00 50.01 N ATOM 1094 CA SER A 76 7.438 0.186 -7.123 1.00 21.35 C ATOM 1095 C SER A 76 6.133 0.525 -6.405 1.00 32.31 C ATOM 1096 O SER A 76 5.408 -0.385 -6.008 1.00 70.53 O ATOM 1097 CB SER A 76 7.189 -0.032 -8.614 1.00 1.35 C ATOM 1098 OG SER A 76 8.369 0.152 -9.376 1.00 54.14 O ATOM 0 H SER A 76 7.319 -1.806 -6.540 1.00 50.01 H new ATOM 0 HA SER A 76 8.130 1.017 -6.986 1.00 21.35 H new ATOM 0 HB2 SER A 76 6.805 -1.039 -8.775 1.00 1.35 H new ATOM 0 HB3 SER A 76 6.421 0.660 -8.960 1.00 1.35 H new ATOM 0 HG SER A 76 8.173 0.003 -10.324 1.00 54.14 H new ATOM 1103 N MET A 77 5.802 1.811 -6.251 1.00 61.23 N ATOM 1104 CA MET A 77 4.563 2.265 -5.622 1.00 54.02 C ATOM 1105 C MET A 77 3.700 3.061 -6.591 1.00 23.51 C ATOM 1106 O MET A 77 4.213 3.773 -7.459 1.00 43.32 O ATOM 1107 CB MET A 77 4.802 3.083 -4.349 1.00 63.21 C ATOM 1108 CG MET A 77 5.740 4.277 -4.484 1.00 33.35 C ATOM 1109 SD MET A 77 7.222 4.225 -3.434 1.00 64.24 S ATOM 1110 CE MET A 77 6.505 4.317 -1.770 1.00 50.22 C ATOM 0 H MET A 77 6.399 2.576 -6.566 1.00 61.23 H new ATOM 0 HA MET A 77 4.032 1.357 -5.335 1.00 54.02 H new ATOM 0 HB2 MET A 77 3.839 3.443 -3.987 1.00 63.21 H new ATOM 0 HB3 MET A 77 5.202 2.418 -3.584 1.00 63.21 H new ATOM 0 HG2 MET A 77 6.055 4.354 -5.525 1.00 33.35 H new ATOM 0 HG3 MET A 77 5.182 5.184 -4.252 1.00 33.35 H new ATOM 0 HE1 MET A 77 7.213 4.797 -1.095 1.00 50.22 H new ATOM 0 HE2 MET A 77 5.584 4.899 -1.802 1.00 50.22 H new ATOM 0 HE3 MET A 77 6.287 3.311 -1.412 1.00 50.22 H new ATOM 1118 N HIS A 78 2.386 2.939 -6.410 1.00 30.51 N ATOM 1119 CA HIS A 78 1.359 3.571 -7.219 1.00 13.12 C ATOM 1120 C HIS A 78 0.198 3.972 -6.316 1.00 41.10 C ATOM 1121 O HIS A 78 -0.015 3.347 -5.272 1.00 74.13 O ATOM 1122 CB HIS A 78 0.846 2.573 -8.267 1.00 1.03 C ATOM 1123 CG HIS A 78 1.917 2.031 -9.177 1.00 24.33 C ATOM 1124 ND1 HIS A 78 2.204 2.467 -10.449 1.00 53.14 N ATOM 1125 CD2 HIS A 78 2.820 1.054 -8.860 1.00 21.53 C ATOM 1126 CE1 HIS A 78 3.240 1.752 -10.906 1.00 52.23 C ATOM 1127 NE2 HIS A 78 3.666 0.894 -9.962 1.00 32.22 N ATOM 0 H HIS A 78 1.996 2.369 -5.659 1.00 30.51 H new ATOM 0 HA HIS A 78 1.773 4.448 -7.717 1.00 13.12 H new ATOM 0 HB2 HIS A 78 0.364 1.740 -7.755 1.00 1.03 H new ATOM 0 HB3 HIS A 78 0.082 3.060 -8.873 1.00 1.03 H new ATOM 0 HD1 HIS A 78 1.714 3.205 -10.955 1.00 53.14 H new ATOM 0 HD2 HIS A 78 2.870 0.507 -7.930 1.00 21.53 H new ATOM 0 HE1 HIS A 78 3.671 1.850 -11.891 1.00 52.23 H new ATOM 1134 N TYR A 79 -0.590 4.948 -6.765 1.00 23.23 N ATOM 1135 CA TYR A 79 -1.892 5.289 -6.233 1.00 30.32 C ATOM 1136 C TYR A 79 -2.964 4.423 -6.882 1.00 70.54 C ATOM 1137 O TYR A 79 -3.693 4.862 -7.772 1.00 30.34 O ATOM 1138 CB TYR A 79 -2.138 6.787 -6.455 1.00 31.33 C ATOM 1139 CG TYR A 79 -1.454 7.736 -5.488 1.00 41.41 C ATOM 1140 CD1 TYR A 79 -0.817 7.269 -4.316 1.00 14.14 C ATOM 1141 CD2 TYR A 79 -1.614 9.123 -5.688 1.00 5.41 C ATOM 1142 CE1 TYR A 79 -0.449 8.170 -3.312 1.00 45.33 C ATOM 1143 CE2 TYR A 79 -1.246 10.032 -4.681 1.00 10.20 C ATOM 1144 CZ TYR A 79 -0.710 9.542 -3.472 1.00 54.11 C ATOM 1145 OH TYR A 79 -0.511 10.348 -2.412 1.00 43.41 O ATOM 0 H TYR A 79 -0.318 5.545 -7.546 1.00 23.23 H new ATOM 0 HA TYR A 79 -1.933 5.092 -5.162 1.00 30.32 H new ATOM 0 HB2 TYR A 79 -1.817 7.039 -7.466 1.00 31.33 H new ATOM 0 HB3 TYR A 79 -3.212 6.967 -6.408 1.00 31.33 H new ATOM 0 HD1 TYR A 79 -0.614 6.215 -4.196 1.00 14.14 H new ATOM 0 HD2 TYR A 79 -2.021 9.488 -6.619 1.00 5.41 H new ATOM 0 HE1 TYR A 79 0.035 7.812 -2.415 1.00 45.33 H new ATOM 0 HE2 TYR A 79 -1.372 11.094 -4.831 1.00 10.20 H new ATOM 0 HH TYR A 79 -1.336 10.839 -2.215 1.00 43.41 H new ATOM 1154 N SER A 80 -3.082 3.191 -6.405 1.00 72.14 N ATOM 1155 CA SER A 80 -4.305 2.406 -6.452 1.00 34.13 C ATOM 1156 C SER A 80 -5.282 3.114 -5.512 1.00 50.01 C ATOM 1157 O SER A 80 -5.427 2.723 -4.356 1.00 25.33 O ATOM 1158 CB SER A 80 -4.002 0.979 -5.958 1.00 30.13 C ATOM 1159 OG SER A 80 -4.622 -0.015 -6.746 1.00 50.11 O ATOM 0 H SER A 80 -2.307 2.698 -5.962 1.00 72.14 H new ATOM 0 HA SER A 80 -4.719 2.327 -7.457 1.00 34.13 H new ATOM 0 HB2 SER A 80 -2.924 0.819 -5.962 1.00 30.13 H new ATOM 0 HB3 SER A 80 -4.336 0.878 -4.925 1.00 30.13 H new ATOM 0 HG SER A 80 -3.994 -0.752 -6.896 1.00 50.11 H new