USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=15 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 8 MET CE :methyl -151:sc= -0.521 (180deg=-0.395) USER MOD Set 1.2: A 76 SER OG : rot 180:sc=-0.000666 USER MOD Set 2.1: A 25 HIS : no HE2:sc= -1.15 K(o=0.22,f=-0.87) USER MOD Set 2.2: A 64 ASN : amide:sc= 1.37 K(o=0.22,f=-0.87) USER MOD Single : A 2 ASN : amide:sc= 1.45 K(o=1.5,f=-0.14) USER MOD Single : A 5 MET CE :methyl 165:sc= -0.376 (180deg=-0.878) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot -57:sc= 1.3 USER MOD Single : A 21 GLN : amide:sc= -0.377 K(o=-0.38,f=-2.6!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.066 X(o=-0.066,f=0) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.109 F(o=-1.2,f=-0.11) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 61 MET CE :methyl -134:sc= -0.33 (180deg=-3.2) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 66 HIS : no HE2:sc= -0.424 X(o=-0.42,f=-0.097) USER MOD Single : A 67 SER OG : rot -62:sc= 0.175 USER MOD Single : A 69 ASN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 73 GLN : amide:sc= -1.79! X(o=-1.8!,f=-1.3) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -140:sc= -0.134 (180deg=-1.61) USER MOD Single : A 78 HIS : no HD1:sc=-4.28e-05 X(o=-4.3e-05,f=-0.009) USER MOD Single : A 79 TYR OH : rot -60:sc= -1.19 USER MOD Single : A 80 SER OG : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ASN A 2 -6.901 6.241 -0.218 1.00 14.54 N ATOM 12 CA ASN A 2 -6.233 5.894 1.035 1.00 50.31 C ATOM 13 C ASN A 2 -5.766 4.446 1.033 1.00 31.11 C ATOM 14 O ASN A 2 -5.330 3.969 2.075 1.00 12.15 O ATOM 15 CB ASN A 2 -7.100 6.210 2.266 1.00 4.24 C ATOM 16 CG ASN A 2 -8.118 5.118 2.580 1.00 10.22 C ATOM 17 OD1 ASN A 2 -8.993 4.827 1.766 1.00 62.24 O ATOM 18 ND2 ASN A 2 -8.067 4.535 3.754 1.00 52.30 N ATOM 0 HA ASN A 2 -5.348 6.526 1.107 1.00 50.31 H new ATOM 0 HB2 ASN A 2 -6.453 6.354 3.131 1.00 4.24 H new ATOM 0 HB3 ASN A 2 -7.625 7.151 2.101 1.00 4.24 H new ATOM 0 HD21 ASN A 2 -8.760 3.829 4.003 1.00 52.30 H new ATOM 0 HD22 ASN A 2 -7.335 4.788 4.418 1.00 52.30 H new ATOM 24 N ILE A 3 -5.841 3.767 -0.118 1.00 24.23 N ATOM 25 CA ILE A 3 -5.296 2.435 -0.305 1.00 22.33 C ATOM 26 C ILE A 3 -4.166 2.525 -1.317 1.00 25.41 C ATOM 27 O ILE A 3 -4.312 3.193 -2.333 1.00 53.44 O ATOM 28 CB ILE A 3 -6.345 1.432 -0.810 1.00 34.03 C ATOM 29 CG1 ILE A 3 -7.548 1.411 0.147 1.00 64.41 C ATOM 30 CG2 ILE A 3 -5.689 0.038 -0.919 1.00 53.20 C ATOM 31 CD1 ILE A 3 -8.588 0.357 -0.216 1.00 22.35 C ATOM 0 H ILE A 3 -6.291 4.142 -0.953 1.00 24.23 H new ATOM 0 HA ILE A 3 -4.945 2.073 0.661 1.00 22.33 H new ATOM 0 HB ILE A 3 -6.708 1.727 -1.795 1.00 34.03 H new ATOM 0 HG12 ILE A 3 -7.194 1.228 1.161 1.00 64.41 H new ATOM 0 HG13 ILE A 3 -8.021 2.393 0.147 1.00 64.41 H new ATOM 0 HG21 ILE A 3 -6.424 -0.683 -1.277 1.00 53.20 H new ATOM 0 HG22 ILE A 3 -4.854 0.082 -1.618 1.00 53.20 H new ATOM 0 HG23 ILE A 3 -5.325 -0.271 0.061 1.00 53.20 H new ATOM 0 HD11 ILE A 3 -9.410 0.396 0.499 1.00 22.35 H new ATOM 0 HD12 ILE A 3 -8.969 0.552 -1.218 1.00 22.35 H new ATOM 0 HD13 ILE A 3 -8.129 -0.631 -0.188 1.00 22.35 H new ATOM 42 N VAL A 4 -3.110 1.771 -1.059 1.00 73.22 N ATOM 43 CA VAL A 4 -1.907 1.458 -1.807 1.00 64.14 C ATOM 44 C VAL A 4 -1.624 -0.009 -2.009 1.00 65.03 C ATOM 45 O VAL A 4 -1.061 -0.655 -1.138 1.00 74.10 O ATOM 46 CB VAL A 4 -0.762 2.344 -1.335 1.00 14.35 C ATOM 47 CG1 VAL A 4 -0.764 2.628 0.168 1.00 41.51 C ATOM 48 CG2 VAL A 4 0.592 1.872 -1.910 1.00 72.21 C ATOM 0 H VAL A 4 -3.078 1.283 -0.164 1.00 73.22 H new ATOM 0 HA VAL A 4 -2.074 1.723 -2.851 1.00 64.14 H new ATOM 0 HB VAL A 4 -0.936 3.333 -1.759 1.00 14.35 H new ATOM 0 HG11 VAL A 4 0.084 3.265 0.419 1.00 41.51 H new ATOM 0 HG12 VAL A 4 -1.691 3.132 0.442 1.00 41.51 H new ATOM 0 HG13 VAL A 4 -0.687 1.689 0.716 1.00 41.51 H new ATOM 0 HG21 VAL A 4 1.387 2.527 -1.553 1.00 72.21 H new ATOM 0 HG22 VAL A 4 0.789 0.851 -1.585 1.00 72.21 H new ATOM 0 HG23 VAL A 4 0.556 1.905 -2.999 1.00 72.21 H new ATOM 58 N MET A 5 -1.990 -0.507 -3.187 1.00 23.41 N ATOM 59 CA MET A 5 -1.587 -1.810 -3.674 1.00 50.14 C ATOM 60 C MET A 5 -0.149 -1.717 -4.180 1.00 11.12 C ATOM 61 O MET A 5 0.120 -1.109 -5.216 1.00 30.35 O ATOM 62 CB MET A 5 -2.539 -2.279 -4.767 1.00 33.02 C ATOM 63 CG MET A 5 -2.328 -3.753 -5.106 1.00 4.52 C ATOM 64 SD MET A 5 -3.193 -4.420 -6.557 1.00 14.45 S ATOM 65 CE MET A 5 -2.882 -3.111 -7.768 1.00 12.35 C ATOM 0 H MET A 5 -2.588 0.000 -3.839 1.00 23.41 H new ATOM 0 HA MET A 5 -1.630 -2.546 -2.871 1.00 50.14 H new ATOM 0 HB2 MET A 5 -3.568 -2.124 -4.444 1.00 33.02 H new ATOM 0 HB3 MET A 5 -2.391 -1.675 -5.662 1.00 33.02 H new ATOM 0 HG2 MET A 5 -1.260 -3.914 -5.250 1.00 4.52 H new ATOM 0 HG3 MET A 5 -2.625 -4.342 -4.239 1.00 4.52 H new ATOM 0 HE1 MET A 5 -3.110 -3.479 -8.768 1.00 12.35 H new ATOM 0 HE2 MET A 5 -3.514 -2.251 -7.545 1.00 12.35 H new ATOM 0 HE3 MET A 5 -1.834 -2.813 -7.721 1.00 12.35 H new ATOM 73 N LEU A 6 0.777 -2.295 -3.429 1.00 51.32 N ATOM 74 CA LEU A 6 2.180 -2.453 -3.763 1.00 32.44 C ATOM 75 C LEU A 6 2.275 -3.746 -4.553 1.00 70.21 C ATOM 76 O LEU A 6 2.138 -4.815 -3.965 1.00 14.42 O ATOM 77 CB LEU A 6 2.992 -2.579 -2.462 1.00 31.44 C ATOM 78 CG LEU A 6 3.005 -1.302 -1.605 1.00 12.21 C ATOM 79 CD1 LEU A 6 3.244 -1.622 -0.123 1.00 72.00 C ATOM 80 CD2 LEU A 6 4.026 -0.289 -2.139 1.00 51.51 C ATOM 0 H LEU A 6 0.552 -2.689 -2.515 1.00 51.32 H new ATOM 0 HA LEU A 6 2.566 -1.608 -4.332 1.00 32.44 H new ATOM 0 HB2 LEU A 6 2.584 -3.398 -1.869 1.00 31.44 H new ATOM 0 HB3 LEU A 6 4.019 -2.847 -2.711 1.00 31.44 H new ATOM 0 HG LEU A 6 2.019 -0.843 -1.678 1.00 12.21 H new ATOM 0 HD11 LEU A 6 3.247 -0.697 0.453 1.00 72.00 H new ATOM 0 HD12 LEU A 6 2.450 -2.274 0.241 1.00 72.00 H new ATOM 0 HD13 LEU A 6 4.205 -2.123 -0.009 1.00 72.00 H new ATOM 0 HD21 LEU A 6 4.014 0.604 -1.514 1.00 51.51 H new ATOM 0 HD22 LEU A 6 5.022 -0.732 -2.120 1.00 51.51 H new ATOM 0 HD23 LEU A 6 3.769 -0.019 -3.163 1.00 51.51 H new ATOM 91 N ARG A 7 2.433 -3.688 -5.874 1.00 71.34 N ATOM 92 CA ARG A 7 2.691 -4.884 -6.688 1.00 21.44 C ATOM 93 C ARG A 7 4.188 -5.166 -6.746 1.00 14.43 C ATOM 94 O ARG A 7 4.985 -4.249 -6.546 1.00 10.24 O ATOM 95 CB ARG A 7 2.148 -4.688 -8.114 1.00 62.43 C ATOM 96 CG ARG A 7 0.615 -4.737 -8.209 1.00 14.15 C ATOM 97 CD ARG A 7 0.124 -4.530 -9.650 1.00 12.32 C ATOM 98 NE ARG A 7 0.641 -5.563 -10.566 1.00 11.53 N ATOM 99 CZ ARG A 7 0.170 -6.807 -10.720 1.00 42.24 C ATOM 100 NH1 ARG A 7 -1.015 -7.165 -10.241 1.00 61.41 N ATOM 101 NH2 ARG A 7 0.885 -7.732 -11.348 1.00 15.13 N ATOM 0 H ARG A 7 2.387 -2.822 -6.410 1.00 71.34 H new ATOM 0 HA ARG A 7 2.183 -5.731 -6.227 1.00 21.44 H new ATOM 0 HB2 ARG A 7 2.495 -3.728 -8.496 1.00 62.43 H new ATOM 0 HB3 ARG A 7 2.567 -5.459 -8.761 1.00 62.43 H new ATOM 0 HG2 ARG A 7 0.259 -5.698 -7.839 1.00 14.15 H new ATOM 0 HG3 ARG A 7 0.187 -3.969 -7.565 1.00 14.15 H new ATOM 0 HD2 ARG A 7 -0.966 -4.544 -9.667 1.00 12.32 H new ATOM 0 HD3 ARG A 7 0.436 -3.546 -10.001 1.00 12.32 H new ATOM 0 HE ARG A 7 1.441 -5.303 -11.143 1.00 11.53 H new ATOM 0 HH11 ARG A 7 -1.590 -6.486 -9.742 1.00 61.41 H new ATOM 0 HH12 ARG A 7 -1.351 -8.119 -10.372 1.00 61.41 H new ATOM 0 HH21 ARG A 7 1.806 -7.499 -11.720 1.00 15.13 H new ATOM 0 HH22 ARG A 7 0.514 -8.676 -11.458 1.00 15.13 H new ATOM 112 N MET A 8 4.542 -6.378 -7.191 1.00 34.23 N ATOM 113 CA MET A 8 5.909 -6.832 -7.477 1.00 41.32 C ATOM 114 C MET A 8 6.705 -7.138 -6.210 1.00 74.21 C ATOM 115 O MET A 8 7.899 -6.865 -6.124 1.00 1.42 O ATOM 116 CB MET A 8 6.666 -5.833 -8.360 1.00 24.14 C ATOM 117 CG MET A 8 5.820 -5.378 -9.541 1.00 71.05 C ATOM 118 SD MET A 8 6.705 -4.575 -10.904 1.00 12.43 S ATOM 119 CE MET A 8 7.302 -3.071 -10.089 1.00 31.33 C ATOM 0 H MET A 8 3.849 -7.105 -7.370 1.00 34.23 H new ATOM 0 HA MET A 8 5.806 -7.767 -8.028 1.00 41.32 H new ATOM 0 HB2 MET A 8 6.957 -4.967 -7.765 1.00 24.14 H new ATOM 0 HB3 MET A 8 7.585 -6.292 -8.725 1.00 24.14 H new ATOM 0 HG2 MET A 8 5.294 -6.246 -9.939 1.00 71.05 H new ATOM 0 HG3 MET A 8 5.062 -4.687 -9.172 1.00 71.05 H new ATOM 0 HE1 MET A 8 7.393 -2.271 -10.824 1.00 31.33 H new ATOM 0 HE2 MET A 8 6.596 -2.773 -9.314 1.00 31.33 H new ATOM 0 HE3 MET A 8 8.276 -3.263 -9.639 1.00 31.33 H new ATOM 127 N LEU A 9 6.046 -7.729 -5.215 1.00 24.23 N ATOM 128 CA LEU A 9 6.642 -8.062 -3.924 1.00 11.31 C ATOM 129 C LEU A 9 7.102 -9.523 -3.808 1.00 23.21 C ATOM 130 O LEU A 9 6.381 -10.411 -4.269 1.00 21.10 O ATOM 131 CB LEU A 9 5.541 -7.850 -2.875 1.00 23.32 C ATOM 132 CG LEU A 9 5.339 -6.385 -2.451 1.00 62.12 C ATOM 133 CD1 LEU A 9 4.120 -6.224 -1.542 1.00 31.01 C ATOM 134 CD2 LEU A 9 6.544 -5.826 -1.702 1.00 33.31 C ATOM 0 H LEU A 9 5.064 -7.995 -5.286 1.00 24.23 H new ATOM 0 HA LEU A 9 7.525 -7.437 -3.790 1.00 11.31 H new ATOM 0 HB2 LEU A 9 4.601 -8.234 -3.271 1.00 23.32 H new ATOM 0 HB3 LEU A 9 5.780 -8.441 -1.991 1.00 23.32 H new ATOM 0 HG LEU A 9 5.196 -5.834 -3.380 1.00 62.12 H new ATOM 0 HD11 LEU A 9 4.010 -5.176 -1.263 1.00 31.01 H new ATOM 0 HD12 LEU A 9 3.226 -6.555 -2.070 1.00 31.01 H new ATOM 0 HD13 LEU A 9 4.254 -6.826 -0.643 1.00 31.01 H new ATOM 0 HD21 LEU A 9 6.351 -4.790 -1.425 1.00 33.31 H new ATOM 0 HD22 LEU A 9 6.719 -6.416 -0.802 1.00 33.31 H new ATOM 0 HD23 LEU A 9 7.424 -5.873 -2.343 1.00 33.31 H new ATOM 145 N PRO A 10 8.216 -9.802 -3.098 1.00 32.12 N ATOM 146 CA PRO A 10 8.738 -11.153 -2.914 1.00 62.35 C ATOM 147 C PRO A 10 7.883 -12.008 -1.991 1.00 2.42 C ATOM 148 O PRO A 10 7.377 -11.528 -0.980 1.00 5.31 O ATOM 149 CB PRO A 10 10.130 -11.003 -2.299 1.00 4.22 C ATOM 150 CG PRO A 10 10.125 -9.611 -1.672 1.00 51.15 C ATOM 151 CD PRO A 10 9.096 -8.826 -2.471 1.00 53.52 C ATOM 0 HA PRO A 10 8.748 -11.658 -3.880 1.00 62.35 H new ATOM 0 HB2 PRO A 10 10.319 -11.774 -1.552 1.00 4.22 H new ATOM 0 HB3 PRO A 10 10.910 -11.095 -3.055 1.00 4.22 H new ATOM 0 HG2 PRO A 10 9.857 -9.654 -0.616 1.00 51.15 H new ATOM 0 HG3 PRO A 10 11.110 -9.147 -1.732 1.00 51.15 H new ATOM 0 HD2 PRO A 10 8.531 -8.157 -1.822 1.00 53.52 H new ATOM 0 HD3 PRO A 10 9.582 -8.205 -3.223 1.00 53.52 H new ATOM 156 N GLN A 11 7.862 -13.313 -2.260 1.00 32.04 N ATOM 157 CA GLN A 11 7.159 -14.341 -1.490 1.00 21.02 C ATOM 158 C GLN A 11 7.563 -14.352 -0.014 1.00 23.41 C ATOM 159 O GLN A 11 6.766 -14.752 0.841 1.00 70.12 O ATOM 160 CB GLN A 11 7.422 -15.718 -2.139 1.00 53.22 C ATOM 161 CG GLN A 11 6.148 -16.536 -2.376 1.00 72.44 C ATOM 162 CD GLN A 11 5.600 -17.103 -1.080 1.00 71.31 C ATOM 163 OE1 GLN A 11 6.060 -18.126 -0.586 1.00 31.23 O ATOM 164 NE2 GLN A 11 4.625 -16.434 -0.492 1.00 43.35 N ATOM 0 H GLN A 11 8.360 -13.702 -3.061 1.00 32.04 H new ATOM 0 HA GLN A 11 6.094 -14.112 -1.512 1.00 21.02 H new ATOM 0 HB2 GLN A 11 7.932 -15.571 -3.091 1.00 53.22 H new ATOM 0 HB3 GLN A 11 8.097 -16.288 -1.501 1.00 53.22 H new ATOM 0 HG2 GLN A 11 5.393 -15.906 -2.847 1.00 72.44 H new ATOM 0 HG3 GLN A 11 6.361 -17.350 -3.069 1.00 72.44 H new ATOM 0 HE21 GLN A 11 4.258 -15.585 -0.922 1.00 43.35 H new ATOM 0 HE22 GLN A 11 4.239 -16.766 0.392 1.00 43.35 H new ATOM 171 N ALA A 12 8.802 -13.949 0.272 1.00 32.02 N ATOM 172 CA ALA A 12 9.395 -14.090 1.589 1.00 70.15 C ATOM 173 C ALA A 12 9.067 -12.918 2.513 1.00 23.21 C ATOM 174 O ALA A 12 9.069 -13.127 3.727 1.00 2.53 O ATOM 175 CB ALA A 12 10.909 -14.212 1.436 1.00 43.25 C ATOM 0 H ALA A 12 9.420 -13.514 -0.413 1.00 32.02 H new ATOM 0 HA ALA A 12 8.975 -14.984 2.049 1.00 70.15 H new ATOM 0 HB1 ALA A 12 11.367 -14.319 2.420 1.00 43.25 H new ATOM 0 HB2 ALA A 12 11.144 -15.087 0.830 1.00 43.25 H new ATOM 0 HB3 ALA A 12 11.299 -13.318 0.949 1.00 43.25 H new ATOM 181 N ALA A 13 8.774 -11.743 1.937 1.00 30.00 N ATOM 182 CA ALA A 13 8.617 -10.467 2.630 1.00 25.04 C ATOM 183 C ALA A 13 7.678 -10.562 3.822 1.00 30.23 C ATOM 184 O ALA A 13 6.755 -11.385 3.780 1.00 45.55 O ATOM 185 CB ALA A 13 8.066 -9.426 1.651 1.00 21.23 C ATOM 0 H ALA A 13 8.635 -11.658 0.930 1.00 30.00 H new ATOM 0 HA ALA A 13 9.600 -10.177 3.002 1.00 25.04 H new ATOM 0 HB1 ALA A 13 7.947 -8.472 2.164 1.00 21.23 H new ATOM 0 HB2 ALA A 13 8.759 -9.307 0.818 1.00 21.23 H new ATOM 0 HB3 ALA A 13 7.099 -9.758 1.273 1.00 21.23 H new ATOM 191 N THR A 14 7.799 -9.653 4.806 1.00 71.13 N ATOM 192 CA THR A 14 6.865 -9.651 5.924 1.00 64.03 C ATOM 193 C THR A 14 6.121 -8.323 6.038 1.00 62.12 C ATOM 194 O THR A 14 6.459 -7.335 5.384 1.00 10.51 O ATOM 195 CB THR A 14 7.602 -10.048 7.220 1.00 31.33 C ATOM 196 OG1 THR A 14 8.376 -8.973 7.718 1.00 1.11 O ATOM 197 CG2 THR A 14 8.459 -11.326 7.121 1.00 2.42 C ATOM 0 H THR A 14 8.519 -8.931 4.843 1.00 71.13 H new ATOM 0 HA THR A 14 6.093 -10.399 5.744 1.00 64.03 H new ATOM 0 HB THR A 14 6.805 -10.288 7.924 1.00 31.33 H new ATOM 0 HG1 THR A 14 9.007 -8.677 7.029 1.00 1.11 H new ATOM 0 HG21 THR A 14 8.935 -11.520 8.082 1.00 2.42 H new ATOM 0 HG22 THR A 14 7.824 -12.170 6.854 1.00 2.42 H new ATOM 0 HG23 THR A 14 9.225 -11.192 6.357 1.00 2.42 H new ATOM 205 N GLU A 15 5.051 -8.328 6.837 1.00 22.30 N ATOM 206 CA GLU A 15 4.328 -7.136 7.243 1.00 1.10 C ATOM 207 C GLU A 15 5.301 -6.105 7.813 1.00 50.45 C ATOM 208 O GLU A 15 5.309 -4.950 7.393 1.00 10.53 O ATOM 209 CB GLU A 15 3.286 -7.531 8.304 1.00 13.10 C ATOM 210 CG GLU A 15 1.882 -7.060 7.953 1.00 65.10 C ATOM 211 CD GLU A 15 0.945 -7.354 9.125 1.00 2.55 C ATOM 212 OE1 GLU A 15 1.006 -6.636 10.152 1.00 65.43 O ATOM 213 OE2 GLU A 15 0.257 -8.399 9.059 1.00 45.30 O ATOM 0 H GLU A 15 4.659 -9.186 7.225 1.00 22.30 H new ATOM 0 HA GLU A 15 3.825 -6.693 6.383 1.00 1.10 H new ATOM 0 HB2 GLU A 15 3.283 -8.615 8.418 1.00 13.10 H new ATOM 0 HB3 GLU A 15 3.576 -7.110 9.267 1.00 13.10 H new ATOM 0 HG2 GLU A 15 1.888 -5.992 7.736 1.00 65.10 H new ATOM 0 HG3 GLU A 15 1.530 -7.566 7.054 1.00 65.10 H new ATOM 218 N ASP A 16 6.114 -6.565 8.760 1.00 4.11 N ATOM 219 CA ASP A 16 7.054 -5.797 9.561 1.00 2.54 C ATOM 220 C ASP A 16 8.045 -5.064 8.658 1.00 24.02 C ATOM 221 O ASP A 16 8.285 -3.876 8.848 1.00 30.10 O ATOM 222 CB ASP A 16 7.744 -6.790 10.494 1.00 72.42 C ATOM 223 CG ASP A 16 8.784 -6.216 11.446 1.00 25.11 C ATOM 224 OD1 ASP A 16 9.013 -4.991 11.495 1.00 73.02 O ATOM 225 OD2 ASP A 16 9.459 -7.061 12.077 1.00 14.42 O ATOM 0 H ASP A 16 6.132 -7.556 9.003 1.00 4.11 H new ATOM 0 HA ASP A 16 6.553 -5.026 10.147 1.00 2.54 H new ATOM 0 HB2 ASP A 16 6.978 -7.290 11.087 1.00 72.42 H new ATOM 0 HB3 ASP A 16 8.225 -7.554 9.884 1.00 72.42 H new ATOM 229 N ASP A 17 8.523 -5.733 7.602 1.00 31.23 N ATOM 230 CA ASP A 17 9.458 -5.184 6.621 1.00 31.30 C ATOM 231 C ASP A 17 8.930 -3.886 6.020 1.00 45.55 C ATOM 232 O ASP A 17 9.688 -2.944 5.771 1.00 13.34 O ATOM 233 CB ASP A 17 9.713 -6.168 5.481 1.00 13.33 C ATOM 234 CG ASP A 17 10.834 -7.148 5.784 1.00 45.55 C ATOM 235 OD1 ASP A 17 10.541 -8.198 6.398 1.00 11.33 O ATOM 236 OD2 ASP A 17 11.921 -6.984 5.176 1.00 5.43 O ATOM 0 H ASP A 17 8.261 -6.698 7.404 1.00 31.23 H new ATOM 0 HA ASP A 17 10.389 -4.993 7.155 1.00 31.30 H new ATOM 0 HB2 ASP A 17 8.798 -6.723 5.276 1.00 13.33 H new ATOM 0 HB3 ASP A 17 9.958 -5.612 4.576 1.00 13.33 H new ATOM 240 N ILE A 18 7.620 -3.853 5.758 1.00 63.43 N ATOM 241 CA ILE A 18 6.945 -2.692 5.211 1.00 52.45 C ATOM 242 C ILE A 18 6.657 -1.718 6.346 1.00 10.40 C ATOM 243 O ILE A 18 6.809 -0.513 6.164 1.00 64.03 O ATOM 244 CB ILE A 18 5.652 -3.093 4.463 1.00 3.21 C ATOM 245 CG1 ILE A 18 5.971 -4.181 3.424 1.00 42.53 C ATOM 246 CG2 ILE A 18 5.005 -1.874 3.781 1.00 23.30 C ATOM 247 CD1 ILE A 18 4.792 -4.596 2.546 1.00 64.24 C ATOM 0 H ILE A 18 6.999 -4.645 5.925 1.00 63.43 H new ATOM 0 HA ILE A 18 7.589 -2.208 4.476 1.00 52.45 H new ATOM 0 HB ILE A 18 4.940 -3.486 5.189 1.00 3.21 H new ATOM 0 HG12 ILE A 18 6.776 -3.825 2.781 1.00 42.53 H new ATOM 0 HG13 ILE A 18 6.345 -5.062 3.945 1.00 42.53 H new ATOM 0 HG21 ILE A 18 4.098 -2.186 3.263 1.00 23.30 H new ATOM 0 HG22 ILE A 18 4.754 -1.127 4.534 1.00 23.30 H new ATOM 0 HG23 ILE A 18 5.704 -1.445 3.063 1.00 23.30 H new ATOM 0 HD11 ILE A 18 5.114 -5.367 1.845 1.00 64.24 H new ATOM 0 HD12 ILE A 18 3.991 -4.987 3.173 1.00 64.24 H new ATOM 0 HD13 ILE A 18 4.429 -3.731 1.992 1.00 64.24 H new ATOM 258 N ARG A 19 6.220 -2.197 7.511 1.00 22.23 N ATOM 259 CA ARG A 19 5.935 -1.328 8.647 1.00 50.33 C ATOM 260 C ARG A 19 7.152 -0.484 9.010 1.00 5.14 C ATOM 261 O ARG A 19 6.955 0.697 9.295 1.00 5.32 O ATOM 262 CB ARG A 19 5.429 -2.152 9.827 1.00 14.34 C ATOM 263 CG ARG A 19 3.973 -2.600 9.634 1.00 33.40 C ATOM 264 CD ARG A 19 3.428 -3.226 10.928 1.00 13.42 C ATOM 265 NE ARG A 19 1.956 -3.303 10.959 1.00 30.34 N ATOM 266 CZ ARG A 19 1.117 -2.266 11.117 1.00 12.41 C ATOM 267 NH1 ARG A 19 1.540 -1.000 11.070 1.00 22.11 N ATOM 268 NH2 ARG A 19 -0.172 -2.487 11.325 1.00 3.23 N ATOM 0 H ARG A 19 6.056 -3.188 7.690 1.00 22.23 H new ATOM 0 HA ARG A 19 5.144 -0.632 8.369 1.00 50.33 H new ATOM 0 HB2 ARG A 19 6.064 -3.029 9.956 1.00 14.34 H new ATOM 0 HB3 ARG A 19 5.509 -1.563 10.741 1.00 14.34 H new ATOM 0 HG2 ARG A 19 3.358 -1.746 9.349 1.00 33.40 H new ATOM 0 HG3 ARG A 19 3.913 -3.322 8.820 1.00 33.40 H new ATOM 0 HD2 ARG A 19 3.841 -4.229 11.041 1.00 13.42 H new ATOM 0 HD3 ARG A 19 3.773 -2.641 11.781 1.00 13.42 H new ATOM 0 HE ARG A 19 1.537 -4.227 10.851 1.00 30.34 H new ATOM 0 HH11 ARG A 19 2.527 -0.798 10.910 1.00 22.11 H new ATOM 0 HH12 ARG A 19 0.876 -0.236 11.194 1.00 22.11 H new ATOM 0 HH21 ARG A 19 -0.526 -3.443 11.365 1.00 3.23 H new ATOM 0 HH22 ARG A 19 -0.811 -1.701 11.445 1.00 3.23 H new ATOM 279 N GLY A 20 8.366 -1.031 8.925 1.00 23.00 N ATOM 280 CA GLY A 20 9.606 -0.275 9.055 1.00 5.34 C ATOM 281 C GLY A 20 9.730 0.844 8.015 1.00 21.10 C ATOM 282 O GLY A 20 10.078 1.971 8.374 1.00 74.43 O ATOM 0 H GLY A 20 8.514 -2.027 8.761 1.00 23.00 H new ATOM 0 HA2 GLY A 20 9.660 0.156 10.055 1.00 5.34 H new ATOM 0 HA3 GLY A 20 10.453 -0.954 8.954 1.00 5.34 H new ATOM 286 N GLN A 21 9.410 0.576 6.742 1.00 42.55 N ATOM 287 CA GLN A 21 9.462 1.586 5.684 1.00 71.13 C ATOM 288 C GLN A 21 8.481 2.705 6.024 1.00 43.54 C ATOM 289 O GLN A 21 8.826 3.885 5.994 1.00 70.42 O ATOM 290 CB GLN A 21 9.117 0.970 4.309 1.00 51.13 C ATOM 291 CG GLN A 21 10.137 -0.075 3.810 1.00 54.51 C ATOM 292 CD GLN A 21 11.001 0.362 2.630 1.00 21.00 C ATOM 293 OE1 GLN A 21 11.401 -0.425 1.789 1.00 65.14 O ATOM 294 NE2 GLN A 21 11.331 1.627 2.502 1.00 41.34 N ATOM 0 H GLN A 21 9.109 -0.344 6.420 1.00 42.55 H new ATOM 0 HA GLN A 21 10.474 1.985 5.621 1.00 71.13 H new ATOM 0 HB2 GLN A 21 8.134 0.502 4.369 1.00 51.13 H new ATOM 0 HB3 GLN A 21 9.044 1.770 3.573 1.00 51.13 H new ATOM 0 HG2 GLN A 21 10.793 -0.342 4.639 1.00 54.51 H new ATOM 0 HG3 GLN A 21 9.597 -0.978 3.527 1.00 54.51 H new ATOM 0 HE21 GLN A 21 11.012 2.309 3.189 1.00 41.34 H new ATOM 0 HE22 GLN A 21 11.907 1.927 1.715 1.00 41.34 H new ATOM 301 N LEU A 22 7.247 2.344 6.376 1.00 12.14 N ATOM 302 CA LEU A 22 6.197 3.302 6.694 1.00 71.23 C ATOM 303 C LEU A 22 6.643 4.194 7.855 1.00 12.22 C ATOM 304 O LEU A 22 6.520 5.417 7.767 1.00 3.32 O ATOM 305 CB LEU A 22 4.885 2.579 7.028 1.00 43.41 C ATOM 306 CG LEU A 22 4.360 1.661 5.896 1.00 10.43 C ATOM 307 CD1 LEU A 22 3.583 0.450 6.442 1.00 12.42 C ATOM 308 CD2 LEU A 22 3.495 2.478 4.945 1.00 5.32 C ATOM 0 H LEU A 22 6.949 1.371 6.448 1.00 12.14 H new ATOM 0 HA LEU A 22 6.016 3.930 5.822 1.00 71.23 H new ATOM 0 HB2 LEU A 22 5.032 1.981 7.927 1.00 43.41 H new ATOM 0 HB3 LEU A 22 4.123 3.322 7.261 1.00 43.41 H new ATOM 0 HG LEU A 22 5.218 1.261 5.357 1.00 10.43 H new ATOM 0 HD11 LEU A 22 3.235 -0.164 5.611 1.00 12.42 H new ATOM 0 HD12 LEU A 22 4.236 -0.143 7.082 1.00 12.42 H new ATOM 0 HD13 LEU A 22 2.727 0.798 7.020 1.00 12.42 H new ATOM 0 HD21 LEU A 22 3.124 1.835 4.147 1.00 5.32 H new ATOM 0 HD22 LEU A 22 2.652 2.901 5.492 1.00 5.32 H new ATOM 0 HD23 LEU A 22 4.089 3.284 4.514 1.00 5.32 H new ATOM 319 N GLN A 23 7.209 3.600 8.912 1.00 62.45 N ATOM 320 CA GLN A 23 7.734 4.323 10.063 1.00 53.43 C ATOM 321 C GLN A 23 8.818 5.321 9.672 1.00 10.40 C ATOM 322 O GLN A 23 8.852 6.401 10.259 1.00 54.43 O ATOM 323 CB GLN A 23 8.353 3.363 11.084 1.00 23.34 C ATOM 324 CG GLN A 23 7.365 2.571 11.948 1.00 62.42 C ATOM 325 CD GLN A 23 8.140 1.584 12.818 1.00 52.32 C ATOM 326 OE1 GLN A 23 9.181 1.934 13.372 1.00 13.54 O ATOM 327 NE2 GLN A 23 7.696 0.346 12.942 1.00 10.54 N ATOM 0 H GLN A 23 7.314 2.588 8.987 1.00 62.45 H new ATOM 0 HA GLN A 23 6.882 4.851 10.492 1.00 53.43 H new ATOM 0 HB2 GLN A 23 8.986 2.655 10.549 1.00 23.34 H new ATOM 0 HB3 GLN A 23 9.003 3.937 11.744 1.00 23.34 H new ATOM 0 HG2 GLN A 23 6.786 3.249 12.574 1.00 62.42 H new ATOM 0 HG3 GLN A 23 6.656 2.038 11.315 1.00 62.42 H new ATOM 0 HE21 GLN A 23 6.832 0.065 12.479 1.00 10.54 H new ATOM 0 HE22 GLN A 23 8.217 -0.329 13.501 1.00 10.54 H new ATOM 334 N SER A 24 9.684 5.000 8.707 1.00 53.22 N ATOM 335 CA SER A 24 10.777 5.878 8.306 1.00 23.22 C ATOM 336 C SER A 24 10.228 7.244 7.873 1.00 12.14 C ATOM 337 O SER A 24 10.738 8.292 8.268 1.00 44.52 O ATOM 338 CB SER A 24 11.590 5.178 7.204 1.00 21.02 C ATOM 339 OG SER A 24 12.939 5.012 7.605 1.00 30.11 O ATOM 0 H SER A 24 9.644 4.125 8.185 1.00 53.22 H new ATOM 0 HA SER A 24 11.447 6.071 9.144 1.00 23.22 H new ATOM 0 HB2 SER A 24 11.149 4.206 6.982 1.00 21.02 H new ATOM 0 HB3 SER A 24 11.548 5.764 6.286 1.00 21.02 H new ATOM 0 HG SER A 24 13.439 4.564 6.892 1.00 30.11 H new ATOM 344 N HIS A 25 9.124 7.246 7.127 1.00 50.35 N ATOM 345 CA HIS A 25 8.456 8.472 6.710 1.00 53.42 C ATOM 346 C HIS A 25 7.692 9.152 7.856 1.00 54.51 C ATOM 347 O HIS A 25 7.389 10.347 7.794 1.00 12.10 O ATOM 348 CB HIS A 25 7.474 8.117 5.605 1.00 23.31 C ATOM 349 CG HIS A 25 8.071 7.431 4.407 1.00 32.43 C ATOM 350 ND1 HIS A 25 8.743 8.017 3.363 1.00 30.10 N ATOM 351 CD2 HIS A 25 7.969 6.098 4.139 1.00 2.34 C ATOM 352 CE1 HIS A 25 9.022 7.052 2.470 1.00 2.54 C ATOM 353 NE2 HIS A 25 8.555 5.863 2.896 1.00 2.54 N ATOM 0 H HIS A 25 8.669 6.395 6.796 1.00 50.35 H new ATOM 0 HA HIS A 25 9.217 9.175 6.371 1.00 53.42 H new ATOM 0 HB2 HIS A 25 6.700 7.473 6.023 1.00 23.31 H new ATOM 0 HB3 HIS A 25 6.982 9.031 5.272 1.00 23.31 H new ATOM 0 HD1 HIS A 25 8.986 9.004 3.280 1.00 30.10 H new ATOM 0 HD2 HIS A 25 7.514 5.355 4.777 1.00 2.34 H new ATOM 0 HE1 HIS A 25 9.548 7.209 1.540 1.00 2.54 H new ATOM 360 N GLY A 26 7.337 8.394 8.893 1.00 32.00 N ATOM 361 CA GLY A 26 6.503 8.855 9.988 1.00 25.22 C ATOM 362 C GLY A 26 5.071 8.380 9.798 1.00 10.42 C ATOM 363 O GLY A 26 4.145 9.131 10.110 1.00 73.14 O ATOM 0 H GLY A 26 7.631 7.422 8.992 1.00 32.00 H new ATOM 0 HA2 GLY A 26 6.895 8.482 10.934 1.00 25.22 H new ATOM 0 HA3 GLY A 26 6.528 9.943 10.040 1.00 25.22 H new ATOM 367 N VAL A 27 4.851 7.172 9.253 1.00 13.51 N ATOM 368 CA VAL A 27 3.493 6.654 9.099 1.00 23.13 C ATOM 369 C VAL A 27 3.288 5.378 9.919 1.00 44.44 C ATOM 370 O VAL A 27 4.029 4.397 9.816 1.00 41.54 O ATOM 371 CB VAL A 27 3.035 6.501 7.639 1.00 1.45 C ATOM 372 CG1 VAL A 27 1.502 6.616 7.659 1.00 11.25 C ATOM 373 CG2 VAL A 27 3.686 7.485 6.657 1.00 21.35 C ATOM 0 H VAL A 27 5.586 6.549 8.919 1.00 13.51 H new ATOM 0 HA VAL A 27 2.834 7.420 9.507 1.00 23.13 H new ATOM 0 HB VAL A 27 3.361 5.534 7.256 1.00 1.45 H new ATOM 0 HG11 VAL A 27 1.116 6.515 6.645 1.00 11.25 H new ATOM 0 HG12 VAL A 27 1.086 5.827 8.286 1.00 11.25 H new ATOM 0 HG13 VAL A 27 1.215 7.588 8.061 1.00 11.25 H new ATOM 0 HG21 VAL A 27 3.304 7.303 5.653 1.00 21.35 H new ATOM 0 HG22 VAL A 27 3.451 8.506 6.956 1.00 21.35 H new ATOM 0 HG23 VAL A 27 4.767 7.345 6.664 1.00 21.35 H new ATOM 383 N GLN A 28 2.220 5.396 10.715 1.00 74.23 N ATOM 384 CA GLN A 28 1.821 4.327 11.621 1.00 33.33 C ATOM 385 C GLN A 28 1.345 3.063 10.881 1.00 52.30 C ATOM 386 O GLN A 28 1.326 1.984 11.471 1.00 62.34 O ATOM 387 CB GLN A 28 0.697 4.889 12.518 1.00 70.03 C ATOM 388 CG GLN A 28 -0.630 5.074 11.758 1.00 42.42 C ATOM 389 CD GLN A 28 -1.595 6.023 12.451 1.00 11.31 C ATOM 390 OE1 GLN A 28 -2.046 5.752 13.562 1.00 22.34 O ATOM 391 NE2 GLN A 28 -1.994 7.084 11.764 1.00 1.31 N ATOM 0 H GLN A 28 1.583 6.192 10.745 1.00 74.23 H new ATOM 0 HA GLN A 28 2.683 4.014 12.210 1.00 33.33 H new ATOM 0 HB2 GLN A 28 0.538 4.216 13.360 1.00 70.03 H new ATOM 0 HB3 GLN A 28 1.012 5.847 12.931 1.00 70.03 H new ATOM 0 HG2 GLN A 28 -0.418 5.450 10.757 1.00 42.42 H new ATOM 0 HG3 GLN A 28 -1.110 4.103 11.638 1.00 42.42 H new ATOM 0 HE21 GLN A 28 -1.596 7.276 10.845 1.00 1.31 H new ATOM 0 HE22 GLN A 28 -2.699 7.709 12.155 1.00 1.31 H new ATOM 398 N ALA A 29 0.880 3.257 9.636 1.00 24.02 N ATOM 399 CA ALA A 29 0.096 2.365 8.789 1.00 33.05 C ATOM 400 C ALA A 29 -1.036 1.668 9.546 1.00 42.53 C ATOM 401 O ALA A 29 -0.808 0.638 10.180 1.00 42.31 O ATOM 402 CB ALA A 29 0.963 1.394 8.026 1.00 50.41 C ATOM 0 H ALA A 29 1.068 4.137 9.155 1.00 24.02 H new ATOM 0 HA ALA A 29 -0.388 3.000 8.047 1.00 33.05 H new ATOM 0 HB1 ALA A 29 0.334 0.751 7.410 1.00 50.41 H new ATOM 0 HB2 ALA A 29 1.653 1.946 7.388 1.00 50.41 H new ATOM 0 HB3 ALA A 29 1.529 0.782 8.728 1.00 50.41 H new ATOM 408 N ARG A 30 -2.244 2.243 9.499 1.00 73.30 N ATOM 409 CA ARG A 30 -3.374 1.746 10.280 1.00 3.55 C ATOM 410 C ARG A 30 -3.676 0.302 9.914 1.00 2.54 C ATOM 411 O ARG A 30 -3.794 -0.533 10.808 1.00 72.03 O ATOM 412 CB ARG A 30 -4.603 2.657 10.103 1.00 62.02 C ATOM 413 CG ARG A 30 -5.727 2.355 11.110 1.00 34.45 C ATOM 414 CD ARG A 30 -6.739 1.281 10.674 1.00 22.11 C ATOM 415 NE ARG A 30 -7.552 0.861 11.829 1.00 65.21 N ATOM 416 CZ ARG A 30 -8.872 1.005 11.996 1.00 52.24 C ATOM 417 NH1 ARG A 30 -9.682 1.312 10.989 1.00 5.23 N ATOM 418 NH2 ARG A 30 -9.389 0.863 13.207 1.00 72.04 N ATOM 0 H ARG A 30 -2.460 3.057 8.924 1.00 73.30 H new ATOM 0 HA ARG A 30 -3.109 1.768 11.337 1.00 3.55 H new ATOM 0 HB2 ARG A 30 -4.296 3.697 10.211 1.00 62.02 H new ATOM 0 HB3 ARG A 30 -4.990 2.543 9.090 1.00 62.02 H new ATOM 0 HG2 ARG A 30 -5.273 2.041 12.050 1.00 34.45 H new ATOM 0 HG3 ARG A 30 -6.269 3.279 11.310 1.00 34.45 H new ATOM 0 HD2 ARG A 30 -7.384 1.674 9.888 1.00 22.11 H new ATOM 0 HD3 ARG A 30 -6.214 0.422 10.256 1.00 22.11 H new ATOM 0 HE ARG A 30 -7.049 0.407 12.591 1.00 65.21 H new ATOM 0 HH11 ARG A 30 -9.302 1.446 10.052 1.00 5.23 H new ATOM 0 HH12 ARG A 30 -10.684 1.414 11.153 1.00 5.23 H new ATOM 0 HH21 ARG A 30 -8.783 0.647 13.998 1.00 72.04 H new ATOM 0 HH22 ARG A 30 -10.393 0.970 13.348 1.00 72.04 H new ATOM 429 N GLU A 31 -3.793 -0.013 8.631 1.00 51.43 N ATOM 430 CA GLU A 31 -4.170 -1.337 8.178 1.00 52.14 C ATOM 431 C GLU A 31 -3.197 -1.705 7.066 1.00 52.12 C ATOM 432 O GLU A 31 -2.834 -0.841 6.265 1.00 4.55 O ATOM 433 CB GLU A 31 -5.628 -1.317 7.697 1.00 61.14 C ATOM 434 CG GLU A 31 -6.412 -2.552 8.152 1.00 23.42 C ATOM 435 CD GLU A 31 -7.310 -2.189 9.343 1.00 70.33 C ATOM 436 OE1 GLU A 31 -6.818 -2.188 10.495 1.00 52.10 O ATOM 437 OE2 GLU A 31 -8.484 -1.827 9.087 1.00 3.31 O ATOM 0 H GLU A 31 -3.627 0.650 7.874 1.00 51.43 H new ATOM 0 HA GLU A 31 -4.115 -2.081 8.972 1.00 52.14 H new ATOM 0 HB2 GLU A 31 -6.119 -0.420 8.073 1.00 61.14 H new ATOM 0 HB3 GLU A 31 -5.648 -1.259 6.609 1.00 61.14 H new ATOM 0 HG2 GLU A 31 -7.019 -2.932 7.330 1.00 23.42 H new ATOM 0 HG3 GLU A 31 -5.723 -3.348 8.434 1.00 23.42 H new ATOM 442 N VAL A 32 -2.761 -2.960 7.004 1.00 72.41 N ATOM 443 CA VAL A 32 -1.856 -3.425 5.962 1.00 43.10 C ATOM 444 C VAL A 32 -2.187 -4.881 5.604 1.00 31.21 C ATOM 445 O VAL A 32 -2.634 -5.643 6.467 1.00 71.24 O ATOM 446 CB VAL A 32 -0.385 -3.240 6.412 1.00 31.24 C ATOM 447 CG1 VAL A 32 0.018 -1.813 6.799 1.00 54.43 C ATOM 448 CG2 VAL A 32 0.022 -4.099 7.612 1.00 24.41 C ATOM 0 H VAL A 32 -3.026 -3.681 7.675 1.00 72.41 H new ATOM 0 HA VAL A 32 -1.987 -2.829 5.059 1.00 43.10 H new ATOM 0 HB VAL A 32 0.129 -3.546 5.501 1.00 31.24 H new ATOM 0 HG11 VAL A 32 1.066 -1.799 7.097 1.00 54.43 H new ATOM 0 HG12 VAL A 32 -0.125 -1.150 5.946 1.00 54.43 H new ATOM 0 HG13 VAL A 32 -0.600 -1.473 7.630 1.00 54.43 H new ATOM 0 HG21 VAL A 32 1.066 -3.907 7.860 1.00 24.41 H new ATOM 0 HG22 VAL A 32 -0.606 -3.850 8.468 1.00 24.41 H new ATOM 0 HG23 VAL A 32 -0.104 -5.153 7.364 1.00 24.41 H new ATOM 458 N ARG A 33 -1.945 -5.299 4.352 1.00 31.42 N ATOM 459 CA ARG A 33 -2.263 -6.652 3.878 1.00 13.23 C ATOM 460 C ARG A 33 -1.094 -7.287 3.137 1.00 25.02 C ATOM 461 O ARG A 33 -1.148 -7.394 1.914 1.00 61.33 O ATOM 462 CB ARG A 33 -3.558 -6.666 3.035 1.00 22.34 C ATOM 463 CG ARG A 33 -4.752 -6.074 3.790 1.00 53.11 C ATOM 464 CD ARG A 33 -6.124 -6.422 3.204 1.00 34.43 C ATOM 465 NE ARG A 33 -7.181 -6.137 4.194 1.00 62.03 N ATOM 466 CZ ARG A 33 -7.816 -4.982 4.428 1.00 33.13 C ATOM 467 NH1 ARG A 33 -7.698 -3.956 3.597 1.00 1.21 N ATOM 468 NH2 ARG A 33 -8.567 -4.866 5.520 1.00 12.41 N ATOM 0 H ARG A 33 -1.522 -4.705 3.639 1.00 31.42 H new ATOM 0 HA ARG A 33 -2.445 -7.267 4.759 1.00 13.23 H new ATOM 0 HB2 ARG A 33 -3.397 -6.102 2.116 1.00 22.34 H new ATOM 0 HB3 ARG A 33 -3.788 -7.691 2.744 1.00 22.34 H new ATOM 0 HG2 ARG A 33 -4.717 -6.419 4.823 1.00 53.11 H new ATOM 0 HG3 ARG A 33 -4.647 -4.989 3.812 1.00 53.11 H new ATOM 0 HD2 ARG A 33 -6.299 -5.844 2.296 1.00 34.43 H new ATOM 0 HD3 ARG A 33 -6.152 -7.475 2.922 1.00 34.43 H new ATOM 0 HE ARG A 33 -7.465 -6.924 4.777 1.00 62.03 H new ATOM 0 HH11 ARG A 33 -7.116 -4.039 2.763 1.00 1.21 H new ATOM 0 HH12 ARG A 33 -8.189 -3.083 3.791 1.00 1.21 H new ATOM 0 HH21 ARG A 33 -8.653 -5.651 6.166 1.00 12.41 H new ATOM 0 HH22 ARG A 33 -9.057 -3.992 5.712 1.00 12.41 H new ATOM 479 N LEU A 34 -0.030 -7.693 3.846 1.00 72.22 N ATOM 480 CA LEU A 34 1.141 -8.294 3.209 1.00 62.43 C ATOM 481 C LEU A 34 0.866 -9.747 2.829 1.00 24.15 C ATOM 482 O LEU A 34 -0.243 -10.226 3.007 1.00 70.11 O ATOM 483 CB LEU A 34 2.357 -8.192 4.146 1.00 71.03 C ATOM 484 CG LEU A 34 3.741 -8.120 3.462 1.00 32.02 C ATOM 485 CD1 LEU A 34 4.496 -9.433 3.594 1.00 41.13 C ATOM 486 CD2 LEU A 34 3.774 -7.751 1.977 1.00 65.12 C ATOM 0 H LEU A 34 0.039 -7.614 4.861 1.00 72.22 H new ATOM 0 HA LEU A 34 1.361 -7.747 2.292 1.00 62.43 H new ATOM 0 HB2 LEU A 34 2.236 -7.306 4.769 1.00 71.03 H new ATOM 0 HB3 LEU A 34 2.349 -9.054 4.813 1.00 71.03 H new ATOM 0 HG LEU A 34 4.205 -7.297 4.005 1.00 32.02 H new ATOM 0 HD11 LEU A 34 5.465 -9.347 3.102 1.00 41.13 H new ATOM 0 HD12 LEU A 34 4.644 -9.663 4.649 1.00 41.13 H new ATOM 0 HD13 LEU A 34 3.921 -10.232 3.126 1.00 41.13 H new ATOM 0 HD21 LEU A 34 4.807 -7.738 1.628 1.00 65.12 H new ATOM 0 HD22 LEU A 34 3.208 -8.487 1.406 1.00 65.12 H new ATOM 0 HD23 LEU A 34 3.331 -6.765 1.837 1.00 65.12 H new ATOM 616 N ARG A 44 -0.140 -13.186 -2.743 1.00 4.52 N ATOM 617 CA ARG A 44 -0.271 -13.130 -4.200 1.00 64.30 C ATOM 618 C ARG A 44 1.015 -12.622 -4.864 1.00 33.32 C ATOM 619 O ARG A 44 1.446 -13.196 -5.863 1.00 63.33 O ATOM 620 CB ARG A 44 -1.498 -12.278 -4.604 1.00 70.33 C ATOM 621 CG ARG A 44 -2.622 -13.170 -5.167 1.00 13.35 C ATOM 622 CD ARG A 44 -4.041 -12.761 -4.739 1.00 51.34 C ATOM 623 NE ARG A 44 -5.012 -12.997 -5.824 1.00 34.03 N ATOM 624 CZ ARG A 44 -6.346 -12.894 -5.783 1.00 71.34 C ATOM 625 NH1 ARG A 44 -6.989 -12.519 -4.679 1.00 23.21 N ATOM 626 NH2 ARG A 44 -7.037 -13.143 -6.892 1.00 33.04 N ATOM 0 HA ARG A 44 -0.433 -14.145 -4.563 1.00 64.30 H new ATOM 0 HB2 ARG A 44 -1.864 -11.726 -3.738 1.00 70.33 H new ATOM 0 HB3 ARG A 44 -1.204 -11.540 -5.351 1.00 70.33 H new ATOM 0 HG2 ARG A 44 -2.567 -13.157 -6.256 1.00 13.35 H new ATOM 0 HG3 ARG A 44 -2.444 -14.198 -4.852 1.00 13.35 H new ATOM 0 HD2 ARG A 44 -4.335 -13.327 -3.855 1.00 51.34 H new ATOM 0 HD3 ARG A 44 -4.051 -11.707 -4.461 1.00 51.34 H new ATOM 0 HE ARG A 44 -4.616 -13.275 -6.722 1.00 34.03 H new ATOM 0 HH11 ARG A 44 -6.464 -12.301 -3.832 1.00 23.21 H new ATOM 0 HH12 ARG A 44 -8.007 -12.450 -4.680 1.00 23.21 H new ATOM 0 HH21 ARG A 44 -6.549 -13.406 -7.749 1.00 33.04 H new ATOM 0 HH22 ARG A 44 -8.054 -13.071 -6.886 1.00 33.04 H new ATOM 637 N GLY A 45 1.652 -11.587 -4.307 1.00 53.50 N ATOM 638 CA GLY A 45 2.704 -10.819 -4.980 1.00 62.45 C ATOM 639 C GLY A 45 2.349 -9.336 -5.074 1.00 4.14 C ATOM 640 O GLY A 45 3.157 -8.533 -5.550 1.00 10.51 O ATOM 0 H GLY A 45 1.449 -11.255 -3.364 1.00 53.50 H new ATOM 0 HA2 GLY A 45 3.642 -10.935 -4.438 1.00 62.45 H new ATOM 0 HA3 GLY A 45 2.863 -11.219 -5.981 1.00 62.45 H new ATOM 644 N PHE A 46 1.185 -8.949 -4.549 1.00 33.05 N ATOM 645 CA PHE A 46 0.904 -7.599 -4.110 1.00 52.32 C ATOM 646 C PHE A 46 0.561 -7.609 -2.633 1.00 33.45 C ATOM 647 O PHE A 46 0.389 -8.667 -2.018 1.00 50.24 O ATOM 648 CB PHE A 46 -0.200 -6.955 -4.967 1.00 42.44 C ATOM 649 CG PHE A 46 -1.474 -7.757 -5.187 1.00 50.32 C ATOM 650 CD1 PHE A 46 -2.158 -8.373 -4.119 1.00 25.03 C ATOM 651 CD2 PHE A 46 -2.006 -7.852 -6.488 1.00 1.11 C ATOM 652 CE1 PHE A 46 -3.295 -9.156 -4.365 1.00 1.44 C ATOM 653 CE2 PHE A 46 -3.180 -8.588 -6.725 1.00 41.51 C ATOM 654 CZ PHE A 46 -3.809 -9.266 -5.668 1.00 22.01 C ATOM 0 H PHE A 46 0.400 -9.587 -4.418 1.00 33.05 H new ATOM 0 HA PHE A 46 1.792 -6.982 -4.245 1.00 52.32 H new ATOM 0 HB2 PHE A 46 -0.475 -6.007 -4.505 1.00 42.44 H new ATOM 0 HB3 PHE A 46 0.224 -6.723 -5.944 1.00 42.44 H new ATOM 0 HD1 PHE A 46 -1.805 -8.241 -3.107 1.00 25.03 H new ATOM 0 HD2 PHE A 46 -1.509 -7.356 -7.309 1.00 1.11 H new ATOM 0 HE1 PHE A 46 -3.777 -9.676 -3.550 1.00 1.44 H new ATOM 0 HE2 PHE A 46 -3.598 -8.632 -7.720 1.00 41.51 H new ATOM 0 HZ PHE A 46 -4.685 -9.870 -5.856 1.00 22.01 H new ATOM 663 N ALA A 47 0.484 -6.425 -2.057 1.00 54.40 N ATOM 664 CA ALA A 47 0.025 -6.163 -0.712 1.00 54.21 C ATOM 665 C ALA A 47 -0.689 -4.817 -0.756 1.00 10.13 C ATOM 666 O ALA A 47 -0.452 -4.067 -1.699 1.00 5.51 O ATOM 667 CB ALA A 47 1.238 -6.113 0.194 1.00 12.31 C ATOM 0 H ALA A 47 0.757 -5.573 -2.546 1.00 54.40 H new ATOM 0 HA ALA A 47 -0.653 -6.929 -0.335 1.00 54.21 H new ATOM 0 HB1 ALA A 47 0.920 -5.916 1.218 1.00 12.31 H new ATOM 0 HB2 ALA A 47 1.762 -7.068 0.154 1.00 12.31 H new ATOM 0 HB3 ALA A 47 1.907 -5.319 -0.137 1.00 12.31 H new ATOM 673 N PHE A 48 -1.528 -4.480 0.224 1.00 64.02 N ATOM 674 CA PHE A 48 -2.312 -3.243 0.198 1.00 30.23 C ATOM 675 C PHE A 48 -2.029 -2.468 1.484 1.00 50.44 C ATOM 676 O PHE A 48 -2.236 -3.067 2.541 1.00 12.24 O ATOM 677 CB PHE A 48 -3.815 -3.552 0.066 1.00 31.22 C ATOM 678 CG PHE A 48 -4.241 -4.302 -1.184 1.00 51.54 C ATOM 679 CD1 PHE A 48 -4.035 -5.690 -1.267 1.00 70.24 C ATOM 680 CD2 PHE A 48 -4.877 -3.632 -2.250 1.00 4.21 C ATOM 681 CE1 PHE A 48 -4.441 -6.402 -2.406 1.00 3.42 C ATOM 682 CE2 PHE A 48 -5.297 -4.347 -3.386 1.00 71.43 C ATOM 683 CZ PHE A 48 -5.078 -5.734 -3.466 1.00 50.31 C ATOM 0 H PHE A 48 -1.683 -5.052 1.054 1.00 64.02 H new ATOM 0 HA PHE A 48 -2.027 -2.642 -0.666 1.00 30.23 H new ATOM 0 HB2 PHE A 48 -4.122 -4.134 0.935 1.00 31.22 H new ATOM 0 HB3 PHE A 48 -4.362 -2.610 0.103 1.00 31.22 H new ATOM 0 HD1 PHE A 48 -3.561 -6.212 -0.449 1.00 70.24 H new ATOM 0 HD2 PHE A 48 -5.042 -2.566 -2.194 1.00 4.21 H new ATOM 0 HE1 PHE A 48 -4.264 -7.466 -2.468 1.00 3.42 H new ATOM 0 HE2 PHE A 48 -5.788 -3.831 -4.198 1.00 71.43 H new ATOM 0 HZ PHE A 48 -5.398 -6.284 -4.339 1.00 50.31 H new ATOM 692 N VAL A 49 -1.590 -1.194 1.471 1.00 51.31 N ATOM 693 CA VAL A 49 -1.568 -0.425 2.716 1.00 31.04 C ATOM 694 C VAL A 49 -2.847 0.427 2.740 1.00 11.15 C ATOM 695 O VAL A 49 -3.216 0.986 1.709 1.00 5.12 O ATOM 696 CB VAL A 49 -0.195 0.289 2.818 1.00 54.11 C ATOM 697 CG1 VAL A 49 -0.208 1.419 3.832 1.00 53.14 C ATOM 698 CG2 VAL A 49 0.962 -0.666 3.143 1.00 42.34 C ATOM 0 H VAL A 49 -1.259 -0.697 0.644 1.00 51.31 H new ATOM 0 HA VAL A 49 -1.614 -1.009 3.635 1.00 31.04 H new ATOM 0 HB VAL A 49 -0.024 0.702 1.824 1.00 54.11 H new ATOM 0 HG11 VAL A 49 0.775 1.888 3.867 1.00 53.14 H new ATOM 0 HG12 VAL A 49 -0.953 2.160 3.542 1.00 53.14 H new ATOM 0 HG13 VAL A 49 -0.456 1.022 4.816 1.00 53.14 H new ATOM 0 HG21 VAL A 49 1.894 -0.103 3.200 1.00 42.34 H new ATOM 0 HG22 VAL A 49 0.774 -1.154 4.099 1.00 42.34 H new ATOM 0 HG23 VAL A 49 1.042 -1.421 2.361 1.00 42.34 H new ATOM 708 N GLU A 50 -3.578 0.461 3.862 1.00 45.34 N ATOM 709 CA GLU A 50 -4.679 1.382 4.131 1.00 25.05 C ATOM 710 C GLU A 50 -4.209 2.393 5.174 1.00 64.04 C ATOM 711 O GLU A 50 -3.646 2.024 6.211 1.00 14.43 O ATOM 712 CB GLU A 50 -5.951 0.666 4.650 1.00 31.31 C ATOM 713 CG GLU A 50 -7.199 1.057 3.843 1.00 51.14 C ATOM 714 CD GLU A 50 -8.501 1.260 4.644 1.00 45.53 C ATOM 715 OE1 GLU A 50 -8.696 2.364 5.205 1.00 65.43 O ATOM 716 OE2 GLU A 50 -9.382 0.374 4.585 1.00 73.23 O ATOM 0 H GLU A 50 -3.408 -0.181 4.636 1.00 45.34 H new ATOM 0 HA GLU A 50 -4.950 1.866 3.193 1.00 25.05 H new ATOM 0 HB2 GLU A 50 -5.807 -0.413 4.596 1.00 31.31 H new ATOM 0 HB3 GLU A 50 -6.105 0.915 5.700 1.00 31.31 H new ATOM 0 HG2 GLU A 50 -6.982 1.980 3.305 1.00 51.14 H new ATOM 0 HG3 GLU A 50 -7.376 0.285 3.094 1.00 51.14 H new ATOM 721 N PHE A 51 -4.477 3.672 4.922 1.00 24.03 N ATOM 722 CA PHE A 51 -4.112 4.728 5.855 1.00 64.40 C ATOM 723 C PHE A 51 -5.329 5.328 6.536 1.00 44.53 C ATOM 724 O PHE A 51 -6.401 5.393 5.937 1.00 32.12 O ATOM 725 CB PHE A 51 -3.323 5.803 5.132 1.00 72.01 C ATOM 726 CG PHE A 51 -1.997 5.311 4.594 1.00 30.33 C ATOM 727 CD1 PHE A 51 -0.960 4.987 5.486 1.00 4.44 C ATOM 728 CD2 PHE A 51 -1.795 5.158 3.212 1.00 51.40 C ATOM 729 CE1 PHE A 51 0.289 4.566 4.994 1.00 73.00 C ATOM 730 CE2 PHE A 51 -0.524 4.816 2.724 1.00 50.20 C ATOM 731 CZ PHE A 51 0.522 4.535 3.610 1.00 71.33 C ATOM 0 H PHE A 51 -4.946 4.000 4.078 1.00 24.03 H new ATOM 0 HA PHE A 51 -3.492 4.287 6.635 1.00 64.40 H new ATOM 0 HB2 PHE A 51 -3.921 6.190 4.307 1.00 72.01 H new ATOM 0 HB3 PHE A 51 -3.145 6.634 5.814 1.00 72.01 H new ATOM 0 HD1 PHE A 51 -1.122 5.061 6.551 1.00 4.44 H new ATOM 0 HD2 PHE A 51 -2.616 5.303 2.526 1.00 51.40 H new ATOM 0 HE1 PHE A 51 1.068 4.267 5.680 1.00 73.00 H new ATOM 0 HE2 PHE A 51 -0.352 4.769 1.659 1.00 50.20 H new ATOM 0 HZ PHE A 51 1.504 4.295 3.231 1.00 71.33 H new ATOM 740 N SER A 52 -5.120 5.807 7.768 1.00 10.53 N ATOM 741 CA SER A 52 -6.164 6.390 8.600 1.00 32.24 C ATOM 742 C SER A 52 -6.671 7.702 7.989 1.00 31.41 C ATOM 743 O SER A 52 -7.815 8.079 8.224 1.00 61.20 O ATOM 744 CB SER A 52 -5.624 6.626 10.022 1.00 1.34 C ATOM 745 OG SER A 52 -6.642 6.551 11.006 1.00 14.11 O ATOM 0 H SER A 52 -4.204 5.797 8.216 1.00 10.53 H new ATOM 0 HA SER A 52 -7.003 5.697 8.652 1.00 32.24 H new ATOM 0 HB2 SER A 52 -4.854 5.887 10.243 1.00 1.34 H new ATOM 0 HB3 SER A 52 -5.148 7.606 10.069 1.00 1.34 H new ATOM 0 HG SER A 52 -6.253 6.706 11.892 1.00 14.11 H new ATOM 750 N HIS A 53 -5.845 8.396 7.202 1.00 30.15 N ATOM 751 CA HIS A 53 -6.214 9.643 6.562 1.00 13.14 C ATOM 752 C HIS A 53 -5.853 9.522 5.089 1.00 52.32 C ATOM 753 O HIS A 53 -4.763 9.066 4.745 1.00 62.13 O ATOM 754 CB HIS A 53 -5.497 10.813 7.252 1.00 10.32 C ATOM 755 CG HIS A 53 -5.753 10.870 8.738 1.00 25.21 C ATOM 756 ND1 HIS A 53 -6.884 11.395 9.318 1.00 53.11 N ATOM 757 CD2 HIS A 53 -4.960 10.371 9.743 1.00 4.22 C ATOM 758 CE1 HIS A 53 -6.793 11.216 10.642 1.00 22.25 C ATOM 759 NE2 HIS A 53 -5.623 10.634 10.948 1.00 3.15 N ATOM 0 H HIS A 53 -4.892 8.097 6.994 1.00 30.15 H new ATOM 0 HA HIS A 53 -7.282 9.842 6.648 1.00 13.14 H new ATOM 0 HB2 HIS A 53 -4.424 10.728 7.077 1.00 10.32 H new ATOM 0 HB3 HIS A 53 -5.821 11.749 6.797 1.00 10.32 H new ATOM 0 HD2 HIS A 53 -4.009 9.872 9.626 1.00 4.22 H new ATOM 0 HE1 HIS A 53 -7.550 11.499 11.358 1.00 22.25 H new ATOM 0 HE2 HIS A 53 -5.280 10.422 11.885 1.00 3.15 H new ATOM 766 N LEU A 54 -6.739 9.960 4.192 1.00 71.43 N ATOM 767 CA LEU A 54 -6.463 9.953 2.752 1.00 22.23 C ATOM 768 C LEU A 54 -5.211 10.775 2.407 1.00 50.44 C ATOM 769 O LEU A 54 -4.462 10.392 1.513 1.00 62.20 O ATOM 770 CB LEU A 54 -7.713 10.402 1.980 1.00 50.52 C ATOM 771 CG LEU A 54 -8.142 11.861 2.255 1.00 3.33 C ATOM 772 CD1 LEU A 54 -7.701 12.763 1.104 1.00 41.11 C ATOM 773 CD2 LEU A 54 -9.662 11.960 2.395 1.00 23.21 C ATOM 0 H LEU A 54 -7.659 10.326 4.438 1.00 71.43 H new ATOM 0 HA LEU A 54 -6.234 8.934 2.440 1.00 22.23 H new ATOM 0 HB2 LEU A 54 -7.527 10.286 0.912 1.00 50.52 H new ATOM 0 HB3 LEU A 54 -8.540 9.739 2.234 1.00 50.52 H new ATOM 0 HG LEU A 54 -7.669 12.180 3.184 1.00 3.33 H new ATOM 0 HD11 LEU A 54 -8.008 13.789 1.307 1.00 41.11 H new ATOM 0 HD12 LEU A 54 -6.616 12.722 1.005 1.00 41.11 H new ATOM 0 HD13 LEU A 54 -8.163 12.423 0.177 1.00 41.11 H new ATOM 0 HD21 LEU A 54 -9.943 12.995 2.588 1.00 23.21 H new ATOM 0 HD22 LEU A 54 -10.135 11.622 1.473 1.00 23.21 H new ATOM 0 HD23 LEU A 54 -9.993 11.334 3.224 1.00 23.21 H new ATOM 784 N GLN A 55 -4.953 11.851 3.161 1.00 21.31 N ATOM 785 CA GLN A 55 -3.760 12.693 3.080 1.00 50.41 C ATOM 786 C GLN A 55 -2.483 11.901 3.367 1.00 41.41 C ATOM 787 O GLN A 55 -1.421 12.221 2.825 1.00 71.42 O ATOM 788 CB GLN A 55 -3.950 13.884 4.049 1.00 73.22 C ATOM 789 CG GLN A 55 -2.699 14.707 4.407 1.00 61.32 C ATOM 790 CD GLN A 55 -2.078 14.250 5.725 1.00 51.22 C ATOM 791 OE1 GLN A 55 -1.187 13.278 5.708 1.00 5.25 O flip ATOM 792 NE2 GLN A 55 -2.450 14.743 6.779 1.00 11.52 N flip ATOM 0 H GLN A 55 -5.604 12.171 3.878 1.00 21.31 H new ATOM 0 HA GLN A 55 -3.639 13.071 2.065 1.00 50.41 H new ATOM 0 HB2 GLN A 55 -4.686 14.560 3.613 1.00 73.22 H new ATOM 0 HB3 GLN A 55 -4.379 13.501 4.975 1.00 73.22 H new ATOM 0 HG2 GLN A 55 -1.963 14.616 3.608 1.00 61.32 H new ATOM 0 HG3 GLN A 55 -2.965 15.762 4.477 1.00 61.32 H new ATOM 0 HE21 GLN A 55 -3.140 15.494 6.775 1.00 11.52 H new ATOM 0 HE22 GLN A 55 -2.071 14.403 7.663 1.00 11.52 H new ATOM 799 N ASP A 56 -2.543 10.902 4.248 1.00 64.03 N ATOM 800 CA ASP A 56 -1.358 10.131 4.608 1.00 33.41 C ATOM 801 C ASP A 56 -0.920 9.365 3.362 1.00 33.35 C ATOM 802 O ASP A 56 0.278 9.233 3.117 1.00 24.42 O ATOM 803 CB ASP A 56 -1.608 9.153 5.771 1.00 45.21 C ATOM 804 CG ASP A 56 -2.010 9.755 7.121 1.00 1.43 C ATOM 805 OD1 ASP A 56 -1.785 10.970 7.355 1.00 72.03 O ATOM 806 OD2 ASP A 56 -2.573 8.967 7.917 1.00 2.42 O ATOM 0 H ASP A 56 -3.397 10.610 4.723 1.00 64.03 H new ATOM 0 HA ASP A 56 -0.584 10.816 4.954 1.00 33.41 H new ATOM 0 HB2 ASP A 56 -2.390 8.458 5.465 1.00 45.21 H new ATOM 0 HB3 ASP A 56 -0.701 8.567 5.920 1.00 45.21 H new ATOM 810 N ALA A 57 -1.863 8.895 2.536 1.00 64.10 N ATOM 811 CA ALA A 57 -1.553 8.061 1.389 1.00 42.54 C ATOM 812 C ALA A 57 -0.660 8.823 0.422 1.00 42.34 C ATOM 813 O ALA A 57 0.392 8.312 0.049 1.00 12.33 O ATOM 814 CB ALA A 57 -2.830 7.546 0.742 1.00 54.20 C ATOM 0 H ALA A 57 -2.858 9.087 2.652 1.00 64.10 H new ATOM 0 HA ALA A 57 -0.997 7.181 1.712 1.00 42.54 H new ATOM 0 HB1 ALA A 57 -2.577 6.923 -0.116 1.00 54.20 H new ATOM 0 HB2 ALA A 57 -3.392 6.956 1.466 1.00 54.20 H new ATOM 0 HB3 ALA A 57 -3.436 8.389 0.412 1.00 54.20 H new ATOM 820 N THR A 58 -1.023 10.057 0.080 1.00 2.43 N ATOM 821 CA THR A 58 -0.206 10.918 -0.755 1.00 22.04 C ATOM 822 C THR A 58 1.150 11.205 -0.114 1.00 41.23 C ATOM 823 O THR A 58 2.167 11.140 -0.810 1.00 51.41 O ATOM 824 CB THR A 58 -0.933 12.243 -1.032 1.00 33.01 C ATOM 825 OG1 THR A 58 -2.254 12.270 -0.496 1.00 63.32 O ATOM 826 CG2 THR A 58 -1.005 12.504 -2.526 1.00 21.21 C ATOM 0 H THR A 58 -1.899 10.485 0.379 1.00 2.43 H new ATOM 0 HA THR A 58 -0.035 10.391 -1.694 1.00 22.04 H new ATOM 0 HB THR A 58 -0.353 13.021 -0.536 1.00 33.01 H new ATOM 0 HG1 THR A 58 -2.671 13.133 -0.698 1.00 63.32 H new ATOM 0 HG21 THR A 58 -1.523 13.446 -2.706 1.00 21.21 H new ATOM 0 HG22 THR A 58 0.004 12.561 -2.935 1.00 21.21 H new ATOM 0 HG23 THR A 58 -1.548 11.693 -3.011 1.00 21.21 H new ATOM 834 N ARG A 59 1.169 11.468 1.206 1.00 41.24 N ATOM 835 CA ARG A 59 2.400 11.740 1.946 1.00 72.10 C ATOM 836 C ARG A 59 3.375 10.618 1.675 1.00 11.44 C ATOM 837 O ARG A 59 4.537 10.879 1.383 1.00 10.15 O ATOM 838 CB ARG A 59 2.132 11.909 3.458 1.00 34.01 C ATOM 839 CG ARG A 59 3.012 12.994 4.105 1.00 70.11 C ATOM 840 CD ARG A 59 2.556 13.351 5.532 1.00 2.44 C ATOM 841 NE ARG A 59 3.070 12.415 6.547 1.00 1.13 N ATOM 842 CZ ARG A 59 4.300 12.437 7.080 1.00 63.43 C ATOM 843 NH1 ARG A 59 5.163 13.399 6.764 1.00 64.40 N ATOM 844 NH2 ARG A 59 4.694 11.489 7.924 1.00 1.12 N ATOM 0 H ARG A 59 0.328 11.496 1.783 1.00 41.24 H new ATOM 0 HA ARG A 59 2.827 12.684 1.608 1.00 72.10 H new ATOM 0 HB2 ARG A 59 1.083 12.161 3.610 1.00 34.01 H new ATOM 0 HB3 ARG A 59 2.307 10.958 3.961 1.00 34.01 H new ATOM 0 HG2 ARG A 59 4.046 12.650 4.133 1.00 70.11 H new ATOM 0 HG3 ARG A 59 2.992 13.891 3.486 1.00 70.11 H new ATOM 0 HD2 ARG A 59 2.890 14.360 5.773 1.00 2.44 H new ATOM 0 HD3 ARG A 59 1.467 13.358 5.569 1.00 2.44 H new ATOM 0 HE ARG A 59 2.435 11.687 6.873 1.00 1.13 H new ATOM 0 HH11 ARG A 59 4.892 14.132 6.109 1.00 64.40 H new ATOM 0 HH12 ARG A 59 6.096 13.403 7.177 1.00 64.40 H new ATOM 0 HH21 ARG A 59 4.058 10.732 8.174 1.00 1.12 H new ATOM 0 HH22 ARG A 59 5.633 11.518 8.322 1.00 1.12 H new ATOM 855 N TRP A 60 2.901 9.377 1.739 1.00 33.01 N ATOM 856 CA TRP A 60 3.718 8.219 1.474 1.00 50.24 C ATOM 857 C TRP A 60 4.083 8.055 0.003 1.00 54.30 C ATOM 858 O TRP A 60 5.253 7.857 -0.310 1.00 10.22 O ATOM 859 CB TRP A 60 3.027 7.005 2.041 1.00 23.21 C ATOM 860 CG TRP A 60 3.926 5.833 2.164 1.00 14.14 C ATOM 861 CD1 TRP A 60 5.104 5.814 2.821 1.00 64.00 C ATOM 862 CD2 TRP A 60 3.727 4.500 1.644 1.00 70.41 C ATOM 863 NE1 TRP A 60 5.670 4.562 2.709 1.00 34.42 N ATOM 864 CE2 TRP A 60 4.835 3.698 2.036 1.00 10.11 C ATOM 865 CE3 TRP A 60 2.675 3.881 0.944 1.00 2.41 C ATOM 866 CZ2 TRP A 60 4.884 2.330 1.765 1.00 25.42 C ATOM 867 CZ3 TRP A 60 2.699 2.506 0.687 1.00 21.02 C ATOM 868 CH2 TRP A 60 3.810 1.735 1.087 1.00 3.52 C ATOM 0 H TRP A 60 1.934 9.156 1.978 1.00 33.01 H new ATOM 0 HA TRP A 60 4.679 8.353 1.970 1.00 50.24 H new ATOM 0 HB2 TRP A 60 2.621 7.250 3.023 1.00 23.21 H new ATOM 0 HB3 TRP A 60 2.183 6.743 1.403 1.00 23.21 H new ATOM 0 HD1 TRP A 60 5.536 6.649 3.352 1.00 64.00 H new ATOM 0 HE1 TRP A 60 6.587 4.309 3.076 1.00 34.42 H new ATOM 0 HE3 TRP A 60 1.840 4.474 0.601 1.00 2.41 H new ATOM 0 HZ2 TRP A 60 5.734 1.739 2.072 1.00 25.42 H new ATOM 0 HZ3 TRP A 60 1.868 2.036 0.183 1.00 21.02 H new ATOM 0 HH2 TRP A 60 3.834 0.677 0.869 1.00 3.52 H new ATOM 878 N MET A 61 3.101 8.102 -0.895 1.00 45.11 N ATOM 879 CA MET A 61 3.270 7.828 -2.314 1.00 14.23 C ATOM 880 C MET A 61 4.272 8.793 -2.934 1.00 14.14 C ATOM 881 O MET A 61 5.311 8.352 -3.431 1.00 51.23 O ATOM 882 CB MET A 61 1.905 7.923 -3.004 1.00 22.14 C ATOM 883 CG MET A 61 0.938 6.835 -2.499 1.00 32.42 C ATOM 884 SD MET A 61 0.690 5.339 -3.491 1.00 61.44 S ATOM 885 CE MET A 61 0.260 6.086 -5.080 1.00 71.10 C ATOM 0 H MET A 61 2.141 8.339 -0.645 1.00 45.11 H new ATOM 0 HA MET A 61 3.667 6.822 -2.448 1.00 14.23 H new ATOM 0 HB2 MET A 61 1.473 8.907 -2.823 1.00 22.14 H new ATOM 0 HB3 MET A 61 2.034 7.825 -4.082 1.00 22.14 H new ATOM 0 HG2 MET A 61 1.283 6.521 -1.514 1.00 32.42 H new ATOM 0 HG3 MET A 61 -0.037 7.302 -2.361 1.00 32.42 H new ATOM 0 HE1 MET A 61 -0.610 5.579 -5.497 1.00 71.10 H new ATOM 0 HE2 MET A 61 0.030 7.142 -4.935 1.00 71.10 H new ATOM 0 HE3 MET A 61 1.100 5.988 -5.767 1.00 71.10 H new ATOM 893 N GLU A 62 3.979 10.094 -2.897 1.00 32.35 N ATOM 894 CA GLU A 62 4.772 11.114 -3.576 1.00 73.43 C ATOM 895 C GLU A 62 6.187 11.117 -2.978 1.00 5.42 C ATOM 896 O GLU A 62 7.179 11.291 -3.683 1.00 61.32 O ATOM 897 CB GLU A 62 4.084 12.488 -3.429 1.00 14.54 C ATOM 898 CG GLU A 62 2.631 12.562 -3.948 1.00 11.14 C ATOM 899 CD GLU A 62 2.371 13.505 -5.134 1.00 61.32 C ATOM 900 OE1 GLU A 62 2.674 14.712 -5.024 1.00 34.44 O ATOM 901 OE2 GLU A 62 1.689 13.079 -6.101 1.00 70.40 O ATOM 0 H GLU A 62 3.178 10.470 -2.390 1.00 32.35 H new ATOM 0 HA GLU A 62 4.848 10.897 -4.642 1.00 73.43 H new ATOM 0 HB2 GLU A 62 4.090 12.767 -2.375 1.00 14.54 H new ATOM 0 HB3 GLU A 62 4.679 13.232 -3.959 1.00 14.54 H new ATOM 0 HG2 GLU A 62 2.321 11.558 -4.237 1.00 11.14 H new ATOM 0 HG3 GLU A 62 1.989 12.869 -3.122 1.00 11.14 H new ATOM 906 N ALA A 63 6.303 10.837 -1.674 1.00 43.14 N ATOM 907 CA ALA A 63 7.604 10.744 -1.011 1.00 31.33 C ATOM 908 C ALA A 63 8.399 9.506 -1.410 1.00 12.54 C ATOM 909 O ALA A 63 9.618 9.507 -1.233 1.00 44.14 O ATOM 910 CB ALA A 63 7.448 10.743 0.504 1.00 70.02 C ATOM 0 H ALA A 63 5.507 10.671 -1.058 1.00 43.14 H new ATOM 0 HA ALA A 63 8.156 11.624 -1.340 1.00 31.33 H new ATOM 0 HB1 ALA A 63 8.430 10.673 0.971 1.00 70.02 H new ATOM 0 HB2 ALA A 63 6.961 11.665 0.820 1.00 70.02 H new ATOM 0 HB3 ALA A 63 6.841 9.890 0.807 1.00 70.02 H new ATOM 916 N ASN A 64 7.752 8.464 -1.927 1.00 21.33 N ATOM 917 CA ASN A 64 8.433 7.300 -2.476 1.00 52.14 C ATOM 918 C ASN A 64 8.660 7.438 -3.971 1.00 51.15 C ATOM 919 O ASN A 64 9.208 6.514 -4.571 1.00 14.41 O ATOM 920 CB ASN A 64 7.677 6.008 -2.142 1.00 12.42 C ATOM 921 CG ASN A 64 8.024 5.565 -0.735 1.00 43.14 C ATOM 922 OD1 ASN A 64 9.078 4.983 -0.500 1.00 13.23 O ATOM 923 ND2 ASN A 64 7.188 5.872 0.233 1.00 31.42 N ATOM 0 H ASN A 64 6.735 8.406 -1.976 1.00 21.33 H new ATOM 0 HA ASN A 64 9.414 7.242 -2.005 1.00 52.14 H new ATOM 0 HB2 ASN A 64 6.603 6.171 -2.228 1.00 12.42 H new ATOM 0 HB3 ASN A 64 7.939 5.227 -2.855 1.00 12.42 H new ATOM 0 HD21 ASN A 64 7.412 5.626 1.197 1.00 31.42 H new ATOM 0 HD22 ASN A 64 6.316 6.356 0.019 1.00 31.42 H new ATOM 929 N GLN A 65 8.279 8.561 -4.591 1.00 22.33 N ATOM 930 CA GLN A 65 8.362 8.751 -6.037 1.00 33.41 C ATOM 931 C GLN A 65 7.630 7.608 -6.746 1.00 65.44 C ATOM 932 O GLN A 65 8.053 7.119 -7.795 1.00 12.20 O ATOM 933 CB GLN A 65 9.835 8.891 -6.500 1.00 12.23 C ATOM 934 CG GLN A 65 10.723 9.841 -5.672 1.00 64.12 C ATOM 935 CD GLN A 65 12.215 9.691 -6.008 1.00 2.44 C ATOM 936 OE1 GLN A 65 12.609 9.245 -7.087 1.00 12.43 O ATOM 937 NE2 GLN A 65 13.094 10.015 -5.073 1.00 62.25 N ATOM 0 H GLN A 65 7.901 9.369 -4.095 1.00 22.33 H new ATOM 0 HA GLN A 65 7.869 9.685 -6.308 1.00 33.41 H new ATOM 0 HB2 GLN A 65 10.292 7.901 -6.492 1.00 12.23 H new ATOM 0 HB3 GLN A 65 9.837 9.235 -7.534 1.00 12.23 H new ATOM 0 HG2 GLN A 65 10.415 10.871 -5.852 1.00 64.12 H new ATOM 0 HG3 GLN A 65 10.571 9.643 -4.611 1.00 64.12 H new ATOM 0 HE21 GLN A 65 12.774 10.385 -4.178 1.00 62.25 H new ATOM 0 HE22 GLN A 65 14.092 9.895 -5.248 1.00 62.25 H new ATOM 944 N HIS A 66 6.532 7.159 -6.130 1.00 1.32 N ATOM 945 CA HIS A 66 5.661 6.110 -6.636 1.00 23.31 C ATOM 946 C HIS A 66 6.381 4.769 -6.866 1.00 63.33 C ATOM 947 O HIS A 66 5.780 3.877 -7.472 1.00 42.15 O ATOM 948 CB HIS A 66 4.868 6.635 -7.856 1.00 34.34 C ATOM 949 CG HIS A 66 4.004 7.839 -7.545 1.00 53.14 C ATOM 950 ND1 HIS A 66 3.347 8.647 -8.449 1.00 41.30 N ATOM 951 CD2 HIS A 66 3.729 8.332 -6.299 1.00 21.34 C ATOM 952 CE1 HIS A 66 2.697 9.592 -7.744 1.00 42.32 C ATOM 953 NE2 HIS A 66 2.892 9.429 -6.427 1.00 74.40 N ATOM 0 H HIS A 66 6.220 7.534 -5.234 1.00 1.32 H new ATOM 0 HA HIS A 66 4.935 5.861 -5.862 1.00 23.31 H new ATOM 0 HB2 HIS A 66 5.569 6.896 -8.649 1.00 34.34 H new ATOM 0 HB3 HIS A 66 4.236 5.834 -8.240 1.00 34.34 H new ATOM 0 HD1 HIS A 66 3.352 8.547 -9.464 1.00 41.30 H new ATOM 0 HD2 HIS A 66 4.103 7.932 -5.368 1.00 21.34 H new ATOM 0 HE1 HIS A 66 2.098 10.377 -8.181 1.00 42.32 H new ATOM 960 N SER A 67 7.611 4.570 -6.362 1.00 63.24 N ATOM 961 CA SER A 67 8.326 3.314 -6.562 1.00 1.12 C ATOM 962 C SER A 67 9.181 2.949 -5.348 1.00 3.52 C ATOM 963 O SER A 67 10.107 3.677 -4.983 1.00 45.51 O ATOM 964 CB SER A 67 9.132 3.367 -7.867 1.00 13.42 C ATOM 965 OG SER A 67 9.846 4.582 -8.055 1.00 1.21 O ATOM 0 H SER A 67 8.122 5.264 -5.817 1.00 63.24 H new ATOM 0 HA SER A 67 7.598 2.509 -6.661 1.00 1.12 H new ATOM 0 HB2 SER A 67 9.838 2.537 -7.880 1.00 13.42 H new ATOM 0 HB3 SER A 67 8.453 3.222 -8.708 1.00 13.42 H new ATOM 0 HG SER A 67 9.213 5.329 -8.107 1.00 1.21 H new ATOM 970 N LEU A 68 8.849 1.822 -4.709 1.00 44.34 N ATOM 971 CA LEU A 68 9.508 1.322 -3.506 1.00 41.21 C ATOM 972 C LEU A 68 10.524 0.237 -3.822 1.00 72.35 C ATOM 973 O LEU A 68 10.714 -0.168 -4.974 1.00 12.51 O ATOM 974 CB LEU A 68 8.479 0.821 -2.471 1.00 12.21 C ATOM 975 CG LEU A 68 8.472 1.712 -1.213 1.00 53.35 C ATOM 976 CD1 LEU A 68 7.075 2.240 -1.012 1.00 74.05 C ATOM 977 CD2 LEU A 68 8.887 0.989 0.066 1.00 12.14 C ATOM 0 H LEU A 68 8.091 1.218 -5.027 1.00 44.34 H new ATOM 0 HA LEU A 68 10.050 2.161 -3.071 1.00 41.21 H new ATOM 0 HB2 LEU A 68 7.485 0.811 -2.918 1.00 12.21 H new ATOM 0 HB3 LEU A 68 8.712 -0.206 -2.191 1.00 12.21 H new ATOM 0 HG LEU A 68 9.204 2.501 -1.387 1.00 53.35 H new ATOM 0 HD11 LEU A 68 7.050 2.874 -0.125 1.00 74.05 H new ATOM 0 HD12 LEU A 68 6.778 2.823 -1.883 1.00 74.05 H new ATOM 0 HD13 LEU A 68 6.386 1.406 -0.882 1.00 74.05 H new ATOM 0 HD21 LEU A 68 8.856 1.685 0.904 1.00 12.14 H new ATOM 0 HD22 LEU A 68 8.202 0.162 0.255 1.00 12.14 H new ATOM 0 HD23 LEU A 68 9.900 0.602 -0.047 1.00 12.14 H new ATOM 988 N ASN A 69 11.192 -0.216 -2.763 1.00 13.22 N ATOM 989 CA ASN A 69 12.364 -1.091 -2.907 1.00 72.03 C ATOM 990 C ASN A 69 12.566 -1.976 -1.677 1.00 25.02 C ATOM 991 O ASN A 69 13.175 -1.530 -0.700 1.00 71.01 O ATOM 992 CB ASN A 69 13.614 -0.237 -3.237 1.00 32.43 C ATOM 993 CG ASN A 69 14.581 -0.884 -4.226 1.00 23.14 C ATOM 994 OD1 ASN A 69 15.180 -0.197 -5.051 1.00 25.13 O ATOM 995 ND2 ASN A 69 14.775 -2.189 -4.195 1.00 12.22 N ATOM 0 H ASN A 69 10.947 0.005 -1.798 1.00 13.22 H new ATOM 0 HA ASN A 69 12.194 -1.775 -3.738 1.00 72.03 H new ATOM 0 HB2 ASN A 69 13.287 0.721 -3.642 1.00 32.43 H new ATOM 0 HB3 ASN A 69 14.149 -0.026 -2.311 1.00 32.43 H new ATOM 0 HD21 ASN A 69 15.420 -2.624 -4.854 1.00 12.22 H new ATOM 0 HD22 ASN A 69 14.280 -2.762 -3.512 1.00 12.22 H new ATOM 1001 N ILE A 70 12.084 -3.225 -1.717 1.00 30.03 N ATOM 1002 CA ILE A 70 12.148 -4.170 -0.602 1.00 53.35 C ATOM 1003 C ILE A 70 12.890 -5.424 -1.069 1.00 53.54 C ATOM 1004 O ILE A 70 12.636 -5.912 -2.169 1.00 63.34 O ATOM 1005 CB ILE A 70 10.720 -4.499 -0.109 1.00 54.41 C ATOM 1006 CG1 ILE A 70 9.979 -3.258 0.439 1.00 23.33 C ATOM 1007 CG2 ILE A 70 10.757 -5.601 0.961 1.00 63.15 C ATOM 1008 CD1 ILE A 70 9.150 -2.558 -0.633 1.00 10.33 C ATOM 0 H ILE A 70 11.630 -3.612 -2.544 1.00 30.03 H new ATOM 0 HA ILE A 70 12.690 -3.736 0.238 1.00 53.35 H new ATOM 0 HB ILE A 70 10.164 -4.853 -0.977 1.00 54.41 H new ATOM 0 HG12 ILE A 70 9.328 -3.559 1.259 1.00 23.33 H new ATOM 0 HG13 ILE A 70 10.705 -2.556 0.850 1.00 23.33 H new ATOM 0 HG21 ILE A 70 9.742 -5.818 1.295 1.00 63.15 H new ATOM 0 HG22 ILE A 70 11.201 -6.503 0.539 1.00 63.15 H new ATOM 0 HG23 ILE A 70 11.354 -5.265 1.809 1.00 63.15 H new ATOM 0 HD11 ILE A 70 8.649 -1.693 -0.198 1.00 10.33 H new ATOM 0 HD12 ILE A 70 9.803 -2.231 -1.442 1.00 10.33 H new ATOM 0 HD13 ILE A 70 8.405 -3.249 -1.026 1.00 10.33 H new ATOM 1019 N LEU A 71 13.786 -5.961 -0.232 1.00 71.24 N ATOM 1020 CA LEU A 71 14.661 -7.108 -0.517 1.00 61.22 C ATOM 1021 C LEU A 71 15.427 -6.924 -1.837 1.00 64.05 C ATOM 1022 O LEU A 71 15.799 -7.895 -2.500 1.00 32.33 O ATOM 1023 CB LEU A 71 13.904 -8.457 -0.460 1.00 4.12 C ATOM 1024 CG LEU A 71 13.054 -8.724 0.798 1.00 30.01 C ATOM 1025 CD1 LEU A 71 12.483 -10.151 0.805 1.00 24.31 C ATOM 1026 CD2 LEU A 71 13.823 -8.494 2.100 1.00 45.42 C ATOM 0 H LEU A 71 13.928 -5.591 0.708 1.00 71.24 H new ATOM 0 HA LEU A 71 15.404 -7.144 0.280 1.00 61.22 H new ATOM 0 HB2 LEU A 71 13.251 -8.517 -1.330 1.00 4.12 H new ATOM 0 HB3 LEU A 71 14.634 -9.261 -0.553 1.00 4.12 H new ATOM 0 HG LEU A 71 12.239 -8.002 0.751 1.00 30.01 H new ATOM 0 HD11 LEU A 71 11.890 -10.301 1.707 1.00 24.31 H new ATOM 0 HD12 LEU A 71 11.852 -10.295 -0.072 1.00 24.31 H new ATOM 0 HD13 LEU A 71 13.302 -10.871 0.785 1.00 24.31 H new ATOM 0 HD21 LEU A 71 13.171 -8.698 2.949 1.00 45.42 H new ATOM 0 HD22 LEU A 71 14.685 -9.160 2.136 1.00 45.42 H new ATOM 0 HD23 LEU A 71 14.162 -7.459 2.144 1.00 45.42 H new ATOM 1037 N GLY A 72 15.656 -5.675 -2.244 1.00 11.10 N ATOM 1038 CA GLY A 72 16.327 -5.305 -3.472 1.00 73.31 C ATOM 1039 C GLY A 72 15.403 -5.276 -4.698 1.00 24.11 C ATOM 1040 O GLY A 72 15.826 -4.773 -5.740 1.00 11.21 O ATOM 0 H GLY A 72 15.363 -4.865 -1.697 1.00 11.10 H new ATOM 0 HA2 GLY A 72 16.779 -4.321 -3.346 1.00 73.31 H new ATOM 0 HA3 GLY A 72 17.139 -6.008 -3.657 1.00 73.31 H new ATOM 1044 N GLN A 73 14.148 -5.735 -4.614 1.00 64.41 N ATOM 1045 CA GLN A 73 13.202 -5.725 -5.723 1.00 42.23 C ATOM 1046 C GLN A 73 12.560 -4.358 -5.841 1.00 50.13 C ATOM 1047 O GLN A 73 12.169 -3.759 -4.840 1.00 34.03 O ATOM 1048 CB GLN A 73 12.094 -6.752 -5.476 1.00 30.20 C ATOM 1049 CG GLN A 73 12.580 -8.139 -5.892 1.00 31.23 C ATOM 1050 CD GLN A 73 11.995 -9.228 -5.026 1.00 74.15 C ATOM 1051 OE1 GLN A 73 10.940 -9.790 -5.315 1.00 63.33 O ATOM 1052 NE2 GLN A 73 12.677 -9.521 -3.933 1.00 11.53 N ATOM 0 H GLN A 73 13.761 -6.129 -3.757 1.00 64.41 H new ATOM 0 HA GLN A 73 13.742 -5.968 -6.638 1.00 42.23 H new ATOM 0 HB2 GLN A 73 11.814 -6.754 -4.422 1.00 30.20 H new ATOM 0 HB3 GLN A 73 11.202 -6.483 -6.042 1.00 30.20 H new ATOM 0 HG2 GLN A 73 12.311 -8.320 -6.933 1.00 31.23 H new ATOM 0 HG3 GLN A 73 13.668 -8.174 -5.833 1.00 31.23 H new ATOM 0 HE21 GLN A 73 13.548 -9.032 -3.729 1.00 11.53 H new ATOM 0 HE22 GLN A 73 12.332 -10.237 -3.293 1.00 11.53 H new ATOM 1059 N LYS A 74 12.405 -3.893 -7.076 1.00 35.31 N ATOM 1060 CA LYS A 74 11.630 -2.707 -7.388 1.00 54.45 C ATOM 1061 C LYS A 74 10.157 -3.059 -7.256 1.00 24.34 C ATOM 1062 O LYS A 74 9.732 -4.063 -7.826 1.00 34.23 O ATOM 1063 CB LYS A 74 11.951 -2.284 -8.824 1.00 64.24 C ATOM 1064 CG LYS A 74 11.304 -0.958 -9.256 1.00 52.22 C ATOM 1065 CD LYS A 74 11.948 0.232 -8.542 1.00 72.01 C ATOM 1066 CE LYS A 74 13.351 0.554 -9.071 1.00 32.14 C ATOM 1067 NZ LYS A 74 13.299 1.667 -10.033 1.00 23.41 N ATOM 0 H LYS A 74 12.820 -4.337 -7.895 1.00 35.31 H new ATOM 0 HA LYS A 74 11.869 -1.886 -6.712 1.00 54.45 H new ATOM 0 HB2 LYS A 74 13.032 -2.198 -8.931 1.00 64.24 H new ATOM 0 HB3 LYS A 74 11.625 -3.072 -9.503 1.00 64.24 H new ATOM 0 HG2 LYS A 74 11.405 -0.836 -10.334 1.00 52.22 H new ATOM 0 HG3 LYS A 74 10.237 -0.983 -9.036 1.00 52.22 H new ATOM 0 HD2 LYS A 74 11.311 1.108 -8.659 1.00 72.01 H new ATOM 0 HD3 LYS A 74 12.007 0.021 -7.474 1.00 72.01 H new ATOM 0 HE2 LYS A 74 14.008 0.814 -8.241 1.00 32.14 H new ATOM 0 HE3 LYS A 74 13.776 -0.328 -9.550 1.00 32.14 H new ATOM 0 HZ1 LYS A 74 14.258 1.871 -10.380 1.00 23.41 H new ATOM 0 HZ2 LYS A 74 12.689 1.406 -10.834 1.00 23.41 H new ATOM 0 HZ3 LYS A 74 12.913 2.512 -9.566 1.00 23.41 H new ATOM 1077 N VAL A 75 9.397 -2.215 -6.571 1.00 42.31 N ATOM 1078 CA VAL A 75 7.984 -2.367 -6.243 1.00 50.34 C ATOM 1079 C VAL A 75 7.278 -1.125 -6.781 1.00 51.21 C ATOM 1080 O VAL A 75 7.804 -0.019 -6.653 1.00 54.12 O ATOM 1081 CB VAL A 75 7.842 -2.503 -4.708 1.00 10.10 C ATOM 1082 CG1 VAL A 75 6.400 -2.644 -4.192 1.00 23.21 C ATOM 1083 CG2 VAL A 75 8.610 -3.730 -4.199 1.00 12.41 C ATOM 0 H VAL A 75 9.778 -1.343 -6.203 1.00 42.31 H new ATOM 0 HA VAL A 75 7.539 -3.257 -6.688 1.00 50.34 H new ATOM 0 HB VAL A 75 8.245 -1.564 -4.329 1.00 10.10 H new ATOM 0 HG11 VAL A 75 6.409 -2.733 -3.106 1.00 23.21 H new ATOM 0 HG12 VAL A 75 5.823 -1.765 -4.479 1.00 23.21 H new ATOM 0 HG13 VAL A 75 5.944 -3.534 -4.625 1.00 23.21 H new ATOM 0 HG21 VAL A 75 8.497 -3.807 -3.118 1.00 12.41 H new ATOM 0 HG22 VAL A 75 8.213 -4.629 -4.670 1.00 12.41 H new ATOM 0 HG23 VAL A 75 9.666 -3.627 -4.447 1.00 12.41 H new ATOM 1093 N SER A 76 6.083 -1.286 -7.349 1.00 13.41 N ATOM 1094 CA SER A 76 5.257 -0.172 -7.823 1.00 23.31 C ATOM 1095 C SER A 76 4.046 -0.078 -6.906 1.00 53.10 C ATOM 1096 O SER A 76 3.286 -1.045 -6.800 1.00 62.34 O ATOM 1097 CB SER A 76 4.783 -0.381 -9.266 1.00 74.24 C ATOM 1098 OG SER A 76 5.844 -0.332 -10.203 1.00 24.41 O ATOM 0 H SER A 76 5.656 -2.201 -7.495 1.00 13.41 H new ATOM 0 HA SER A 76 5.850 0.742 -7.806 1.00 23.31 H new ATOM 0 HB2 SER A 76 4.280 -1.345 -9.343 1.00 74.24 H new ATOM 0 HB3 SER A 76 4.047 0.383 -9.516 1.00 74.24 H new ATOM 0 HG SER A 76 5.490 -0.472 -11.106 1.00 24.41 H new ATOM 1103 N MET A 77 3.864 1.060 -6.237 1.00 54.40 N ATOM 1104 CA MET A 77 2.597 1.370 -5.583 1.00 2.12 C ATOM 1105 C MET A 77 1.572 1.835 -6.618 1.00 23.23 C ATOM 1106 O MET A 77 1.940 2.439 -7.628 1.00 54.40 O ATOM 1107 CB MET A 77 2.785 2.425 -4.482 1.00 51.42 C ATOM 1108 CG MET A 77 3.568 3.685 -4.864 1.00 33.41 C ATOM 1109 SD MET A 77 4.994 4.019 -3.789 1.00 14.24 S ATOM 1110 CE MET A 77 4.210 4.101 -2.148 1.00 25.24 C ATOM 0 H MET A 77 4.578 1.781 -6.135 1.00 54.40 H new ATOM 0 HA MET A 77 2.224 0.463 -5.107 1.00 2.12 H new ATOM 0 HB2 MET A 77 1.799 2.730 -4.131 1.00 51.42 H new ATOM 0 HB3 MET A 77 3.291 1.952 -3.640 1.00 51.42 H new ATOM 0 HG2 MET A 77 3.916 3.587 -5.892 1.00 33.41 H new ATOM 0 HG3 MET A 77 2.895 4.542 -4.835 1.00 33.41 H new ATOM 0 HE1 MET A 77 4.661 4.907 -1.569 1.00 25.24 H new ATOM 0 HE2 MET A 77 3.143 4.290 -2.264 1.00 25.24 H new ATOM 0 HE3 MET A 77 4.356 3.155 -1.627 1.00 25.24 H new ATOM 1118 N HIS A 78 0.295 1.583 -6.334 1.00 5.32 N ATOM 1119 CA HIS A 78 -0.863 1.992 -7.105 1.00 1.51 C ATOM 1120 C HIS A 78 -1.961 2.325 -6.106 1.00 11.43 C ATOM 1121 O HIS A 78 -2.201 1.531 -5.190 1.00 11.53 O ATOM 1122 CB HIS A 78 -1.316 0.821 -7.990 1.00 34.01 C ATOM 1123 CG HIS A 78 -0.320 0.470 -9.058 1.00 3.11 C ATOM 1124 ND1 HIS A 78 -0.223 1.114 -10.263 1.00 24.13 N ATOM 1125 CD2 HIS A 78 0.687 -0.456 -8.987 1.00 60.30 C ATOM 1126 CE1 HIS A 78 0.834 0.606 -10.908 1.00 42.40 C ATOM 1127 NE2 HIS A 78 1.399 -0.389 -10.195 1.00 22.01 N ATOM 0 H HIS A 78 0.032 1.053 -5.503 1.00 5.32 H new ATOM 0 HA HIS A 78 -0.637 2.848 -7.740 1.00 1.51 H new ATOM 0 HB2 HIS A 78 -1.491 -0.054 -7.363 1.00 34.01 H new ATOM 0 HB3 HIS A 78 -2.267 1.074 -8.458 1.00 34.01 H new ATOM 0 HD2 HIS A 78 0.894 -1.115 -8.157 1.00 60.30 H new ATOM 0 HE1 HIS A 78 1.187 0.947 -11.870 1.00 42.40 H new ATOM 0 HE2 HIS A 78 2.185 -0.975 -10.476 1.00 22.01 H new ATOM 1134 N TYR A 79 -2.642 3.460 -6.264 1.00 70.20 N ATOM 1135 CA TYR A 79 -3.832 3.752 -5.488 1.00 73.12 C ATOM 1136 C TYR A 79 -4.950 2.775 -5.857 1.00 42.41 C ATOM 1137 O TYR A 79 -5.690 3.027 -6.806 1.00 54.22 O ATOM 1138 CB TYR A 79 -4.285 5.192 -5.737 1.00 21.43 C ATOM 1139 CG TYR A 79 -3.444 6.258 -5.078 1.00 22.31 C ATOM 1140 CD1 TYR A 79 -3.064 6.142 -3.708 1.00 11.12 C ATOM 1141 CD2 TYR A 79 -3.167 7.441 -5.807 1.00 73.42 C ATOM 1142 CE1 TYR A 79 -2.498 7.246 -3.073 1.00 51.54 C ATOM 1143 CE2 TYR A 79 -2.525 8.508 -5.175 1.00 24.15 C ATOM 1144 CZ TYR A 79 -2.218 8.408 -3.811 1.00 12.31 C ATOM 1145 OH TYR A 79 -1.633 9.457 -3.214 1.00 53.23 O ATOM 0 H TYR A 79 -2.383 4.191 -6.927 1.00 70.20 H new ATOM 0 HA TYR A 79 -3.599 3.638 -4.429 1.00 73.12 H new ATOM 0 HB2 TYR A 79 -4.292 5.372 -6.812 1.00 21.43 H new ATOM 0 HB3 TYR A 79 -5.313 5.297 -5.389 1.00 21.43 H new ATOM 0 HD1 TYR A 79 -3.212 5.216 -3.173 1.00 11.12 H new ATOM 0 HD2 TYR A 79 -3.451 7.517 -6.846 1.00 73.42 H new ATOM 0 HE1 TYR A 79 -2.275 7.208 -2.017 1.00 51.54 H new ATOM 0 HE2 TYR A 79 -2.268 9.398 -5.730 1.00 24.15 H new ATOM 0 HH TYR A 79 -2.201 9.775 -2.481 1.00 53.23 H new ATOM 1154 N SER A 80 -5.071 1.658 -5.144 1.00 1.32 N ATOM 1155 CA SER A 80 -6.116 0.666 -5.381 1.00 13.31 C ATOM 1156 C SER A 80 -7.334 1.049 -4.542 1.00 25.05 C ATOM 1157 O SER A 80 -7.681 0.333 -3.603 1.00 71.43 O ATOM 1158 CB SER A 80 -5.581 -0.738 -5.064 1.00 70.22 C ATOM 1159 OG SER A 80 -6.248 -1.762 -5.767 1.00 51.20 O ATOM 0 H SER A 80 -4.441 1.414 -4.379 1.00 1.32 H new ATOM 0 HA SER A 80 -6.420 0.648 -6.428 1.00 13.31 H new ATOM 0 HB2 SER A 80 -4.518 -0.776 -5.302 1.00 70.22 H new ATOM 0 HB3 SER A 80 -5.674 -0.922 -3.994 1.00 70.22 H new ATOM 0 HG SER A 80 -5.687 -2.565 -5.785 1.00 51.20 H new