USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 595 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 5 MET CE :methyl -174:sc= -0.0748 (180deg=-0.204) USER MOD Set 1.2: A 80 SER OG : rot -139:sc= 1.02 USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= 0.0291 USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= -0.0252 USER MOD Set 3.1: A 8 MET CE :methyl -155:sc= 0 (180deg=-0.194) USER MOD Set 3.2: A 76 SER OG : rot 107:sc= 0.785 USER MOD Set 3.3: A 78 HIS : no HE2:sc= 0.6 K(o=1.4,f=-1.5) USER MOD Set 4.1: A 61 MET CE :methyl -119:sc= -0.831 (180deg=-0.774) USER MOD Set 4.2: A 66 HIS : no HD1:sc= -0.866 K(o=-1.7,f=-0.9) USER MOD Set 5.1: A 28 GLN : amide:sc= 1.11 K(o=2.3,f=-2.1) USER MOD Set 5.2: A 52 SER OG : rot 129:sc= 1.22 USER MOD Set 6.1: A 37 ASN : amide:sc= -0.57 K(o=-1.6,f=-3.9) USER MOD Set 6.2: A 42 GLN : amide:sc= -1.04 K(o=-1.6,f=-3) USER MOD Single : A 1 SER N :NH3+ 143:sc= 0.184 (180deg=0.0137) USER MOD Single : A 1 SER OG : rot 103:sc= 0.0536 USER MOD Single : A 2 ASN : amide:sc= 1.59 K(o=1.6,f=-2.1!) USER MOD Single : A 11 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.26) USER MOD Single : A 14 THR OG1 : rot -43:sc= 1.21 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 85:sc= 1.25 USER MOD Single : A 25 HIS : no HE2:sc= -7.87! C(o=-7.9!,f=-8.7!) USER MOD Single : A 35 MET CE :methyl 164:sc= -0.703 (180deg=-1.12) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.00519 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 55 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.21) USER MOD Single : A 64 ASN : amide:sc= -0.078 K(o=-0.078,f=-0.69) USER MOD Single : A 65 GLN : amide:sc= -1.45 X(o=-1.4,f=-1.3) USER MOD Single : A 67 SER OG : rot 39:sc= 0.571 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -2.57 K(o=-2.6,f=-1.5) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -152:sc= -0.237 (180deg=-1.04) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.0697 X(o=-0.07,f=-0.067) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -4.611 10.813 -3.142 1.00 5.15 N ATOM 2 CA SER A 1 -5.040 9.483 -2.679 1.00 62.23 C ATOM 3 C SER A 1 -4.291 9.110 -1.401 1.00 70.04 C ATOM 4 O SER A 1 -3.268 9.723 -1.123 1.00 73.02 O ATOM 5 CB SER A 1 -4.784 8.444 -3.767 1.00 32.32 C ATOM 6 OG SER A 1 -5.285 8.882 -5.025 1.00 30.12 O ATOM 0 H1 SER A 1 -4.575 10.824 -4.181 1.00 5.15 H new ATOM 0 H2 SER A 1 -5.288 11.530 -2.812 1.00 5.15 H new ATOM 0 H3 SER A 1 -3.667 11.026 -2.761 1.00 5.15 H new ATOM 0 HA SER A 1 -6.108 9.507 -2.464 1.00 62.23 H new ATOM 0 HB2 SER A 1 -3.714 8.252 -3.846 1.00 32.32 H new ATOM 0 HB3 SER A 1 -5.258 7.502 -3.492 1.00 32.32 H new ATOM 0 HG SER A 1 -4.542 9.193 -5.583 1.00 30.12 H new ATOM 11 N ASN A 2 -4.767 8.119 -0.639 1.00 1.31 N ATOM 12 CA ASN A 2 -4.195 7.634 0.627 1.00 62.23 C ATOM 13 C ASN A 2 -3.842 6.145 0.600 1.00 3.43 C ATOM 14 O ASN A 2 -3.407 5.632 1.629 1.00 30.54 O ATOM 15 CB ASN A 2 -5.168 7.862 1.801 1.00 52.34 C ATOM 16 CG ASN A 2 -6.342 6.870 1.785 1.00 33.34 C ATOM 17 OD1 ASN A 2 -6.955 6.633 0.746 1.00 25.13 O ATOM 18 ND2 ASN A 2 -6.659 6.228 2.893 1.00 71.12 N ATOM 0 H ASN A 2 -5.608 7.604 -0.901 1.00 1.31 H new ATOM 0 HA ASN A 2 -3.279 8.209 0.762 1.00 62.23 H new ATOM 0 HB2 ASN A 2 -4.627 7.766 2.742 1.00 52.34 H new ATOM 0 HB3 ASN A 2 -5.555 8.880 1.757 1.00 52.34 H new ATOM 0 HD21 ASN A 2 -7.410 5.538 2.885 1.00 71.12 H new ATOM 0 HD22 ASN A 2 -6.153 6.422 3.757 1.00 71.12 H new ATOM 24 N ILE A 3 -4.045 5.443 -0.517 1.00 10.31 N ATOM 25 CA ILE A 3 -3.542 4.082 -0.659 1.00 1.42 C ATOM 26 C ILE A 3 -2.182 4.193 -1.301 1.00 70.10 C ATOM 27 O ILE A 3 -2.029 4.970 -2.251 1.00 53.30 O ATOM 28 CB ILE A 3 -4.496 3.175 -1.471 1.00 11.43 C ATOM 29 CG1 ILE A 3 -5.795 3.095 -0.654 1.00 1.13 C ATOM 30 CG2 ILE A 3 -3.922 1.770 -1.737 1.00 41.10 C ATOM 31 CD1 ILE A 3 -6.870 2.160 -1.191 1.00 65.53 C ATOM 0 H ILE A 3 -4.551 5.795 -1.330 1.00 10.31 H new ATOM 0 HA ILE A 3 -3.473 3.601 0.317 1.00 1.42 H new ATOM 0 HB ILE A 3 -4.657 3.598 -2.462 1.00 11.43 H new ATOM 0 HG12 ILE A 3 -5.544 2.782 0.359 1.00 1.13 H new ATOM 0 HG13 ILE A 3 -6.217 4.097 -0.583 1.00 1.13 H new ATOM 0 HG21 ILE A 3 -4.641 1.186 -2.311 1.00 41.10 H new ATOM 0 HG22 ILE A 3 -2.993 1.857 -2.301 1.00 41.10 H new ATOM 0 HG23 ILE A 3 -3.725 1.272 -0.788 1.00 41.10 H new ATOM 0 HD11 ILE A 3 -7.738 2.187 -0.532 1.00 65.53 H new ATOM 0 HD12 ILE A 3 -7.163 2.479 -2.191 1.00 65.53 H new ATOM 0 HD13 ILE A 3 -6.479 1.143 -1.234 1.00 65.53 H new ATOM 42 N VAL A 4 -1.231 3.380 -0.839 1.00 73.02 N ATOM 43 CA VAL A 4 0.003 3.212 -1.565 1.00 73.21 C ATOM 44 C VAL A 4 -0.010 1.724 -1.924 1.00 53.13 C ATOM 45 O VAL A 4 0.090 0.862 -1.052 1.00 3.35 O ATOM 46 CB VAL A 4 1.173 3.809 -0.754 1.00 61.41 C ATOM 47 CG1 VAL A 4 2.338 4.018 -1.718 1.00 30.22 C ATOM 48 CG2 VAL A 4 0.823 5.170 -0.120 1.00 5.13 C ATOM 0 H VAL A 4 -1.300 2.840 0.023 1.00 73.02 H new ATOM 0 HA VAL A 4 0.128 3.762 -2.498 1.00 73.21 H new ATOM 0 HB VAL A 4 1.414 3.121 0.056 1.00 61.41 H new ATOM 0 HG11 VAL A 4 3.186 4.440 -1.178 1.00 30.22 H new ATOM 0 HG12 VAL A 4 2.626 3.061 -2.154 1.00 30.22 H new ATOM 0 HG13 VAL A 4 2.036 4.702 -2.511 1.00 30.22 H new ATOM 0 HG21 VAL A 4 1.682 5.543 0.438 1.00 5.13 H new ATOM 0 HG22 VAL A 4 0.564 5.881 -0.905 1.00 5.13 H new ATOM 0 HG23 VAL A 4 -0.024 5.050 0.555 1.00 5.13 H new ATOM 58 N MET A 5 -0.318 1.397 -3.182 1.00 24.34 N ATOM 59 CA MET A 5 -0.156 0.038 -3.679 1.00 1.32 C ATOM 60 C MET A 5 1.329 -0.137 -3.931 1.00 74.31 C ATOM 61 O MET A 5 1.930 0.709 -4.594 1.00 41.31 O ATOM 62 CB MET A 5 -0.948 -0.208 -4.967 1.00 53.40 C ATOM 63 CG MET A 5 -0.710 -1.605 -5.572 1.00 3.45 C ATOM 64 SD MET A 5 -0.735 -1.652 -7.385 1.00 42.51 S ATOM 65 CE MET A 5 -2.371 -2.361 -7.680 1.00 45.41 C ATOM 0 H MET A 5 -0.680 2.057 -3.870 1.00 24.34 H new ATOM 0 HA MET A 5 -0.539 -0.679 -2.953 1.00 1.32 H new ATOM 0 HB2 MET A 5 -2.011 -0.086 -4.760 1.00 53.40 H new ATOM 0 HB3 MET A 5 -0.677 0.550 -5.702 1.00 53.40 H new ATOM 0 HG2 MET A 5 0.253 -1.979 -5.224 1.00 3.45 H new ATOM 0 HG3 MET A 5 -1.472 -2.286 -5.193 1.00 3.45 H new ATOM 0 HE1 MET A 5 -2.497 -2.554 -8.745 1.00 45.41 H new ATOM 0 HE2 MET A 5 -2.467 -3.296 -7.128 1.00 45.41 H new ATOM 0 HE3 MET A 5 -3.137 -1.661 -7.345 1.00 45.41 H new ATOM 73 N LEU A 6 1.898 -1.224 -3.420 1.00 31.03 N ATOM 74 CA LEU A 6 3.296 -1.567 -3.603 1.00 62.01 C ATOM 75 C LEU A 6 3.321 -2.727 -4.585 1.00 72.34 C ATOM 76 O LEU A 6 2.794 -3.797 -4.279 1.00 2.33 O ATOM 77 CB LEU A 6 3.990 -1.892 -2.264 1.00 11.42 C ATOM 78 CG LEU A 6 3.904 -0.824 -1.144 1.00 32.15 C ATOM 79 CD1 LEU A 6 3.855 0.619 -1.657 1.00 51.20 C ATOM 80 CD2 LEU A 6 2.722 -1.080 -0.206 1.00 24.04 C ATOM 0 H LEU A 6 1.386 -1.902 -2.856 1.00 31.03 H new ATOM 0 HA LEU A 6 3.863 -0.725 -4.000 1.00 62.01 H new ATOM 0 HB2 LEU A 6 3.565 -2.819 -1.880 1.00 11.42 H new ATOM 0 HB3 LEU A 6 5.043 -2.084 -2.467 1.00 11.42 H new ATOM 0 HG LEU A 6 4.837 -0.930 -0.590 1.00 32.15 H new ATOM 0 HD11 LEU A 6 3.796 1.304 -0.811 1.00 51.20 H new ATOM 0 HD12 LEU A 6 4.756 0.831 -2.233 1.00 51.20 H new ATOM 0 HD13 LEU A 6 2.979 0.750 -2.292 1.00 51.20 H new ATOM 0 HD21 LEU A 6 2.696 -0.310 0.565 1.00 24.04 H new ATOM 0 HD22 LEU A 6 1.793 -1.054 -0.776 1.00 24.04 H new ATOM 0 HD23 LEU A 6 2.834 -2.058 0.262 1.00 24.04 H new ATOM 91 N ARG A 7 3.835 -2.506 -5.795 1.00 71.33 N ATOM 92 CA ARG A 7 3.971 -3.505 -6.860 1.00 63.03 C ATOM 93 C ARG A 7 5.425 -3.957 -6.924 1.00 1.34 C ATOM 94 O ARG A 7 6.310 -3.287 -6.399 1.00 42.22 O ATOM 95 CB ARG A 7 3.538 -2.890 -8.208 1.00 62.34 C ATOM 96 CG ARG A 7 2.117 -3.307 -8.629 1.00 21.32 C ATOM 97 CD ARG A 7 2.086 -4.359 -9.750 1.00 5.53 C ATOM 98 NE ARG A 7 2.794 -5.619 -9.430 1.00 32.33 N ATOM 99 CZ ARG A 7 3.693 -6.232 -10.217 1.00 51.11 C ATOM 100 NH1 ARG A 7 4.000 -5.776 -11.423 1.00 65.44 N ATOM 101 NH2 ARG A 7 4.306 -7.322 -9.788 1.00 3.44 N ATOM 0 H ARG A 7 4.183 -1.588 -6.073 1.00 71.33 H new ATOM 0 HA ARG A 7 3.333 -4.364 -6.652 1.00 63.03 H new ATOM 0 HB2 ARG A 7 3.586 -1.803 -8.138 1.00 62.34 H new ATOM 0 HB3 ARG A 7 4.244 -3.191 -8.982 1.00 62.34 H new ATOM 0 HG2 ARG A 7 1.591 -3.701 -7.759 1.00 21.32 H new ATOM 0 HG3 ARG A 7 1.571 -2.423 -8.958 1.00 21.32 H new ATOM 0 HD2 ARG A 7 1.047 -4.591 -9.985 1.00 5.53 H new ATOM 0 HD3 ARG A 7 2.527 -3.927 -10.648 1.00 5.53 H new ATOM 0 HE ARG A 7 2.581 -6.059 -8.535 1.00 32.33 H new ATOM 0 HH11 ARG A 7 3.548 -4.934 -11.780 1.00 65.44 H new ATOM 0 HH12 ARG A 7 4.688 -6.267 -11.994 1.00 65.44 H new ATOM 0 HH21 ARG A 7 4.095 -7.695 -8.862 1.00 3.44 H new ATOM 0 HH22 ARG A 7 4.989 -7.790 -10.383 1.00 3.44 H new ATOM 112 N MET A 8 5.667 -5.076 -7.611 1.00 54.23 N ATOM 113 CA MET A 8 6.956 -5.765 -7.648 1.00 23.25 C ATOM 114 C MET A 8 7.375 -6.216 -6.240 1.00 43.12 C ATOM 115 O MET A 8 8.559 -6.224 -5.905 1.00 54.14 O ATOM 116 CB MET A 8 8.038 -4.930 -8.362 1.00 44.53 C ATOM 117 CG MET A 8 7.574 -4.334 -9.692 1.00 34.24 C ATOM 118 SD MET A 8 8.910 -3.712 -10.747 1.00 34.15 S ATOM 119 CE MET A 8 9.456 -2.283 -9.778 1.00 73.43 C ATOM 0 H MET A 8 4.952 -5.539 -8.171 1.00 54.23 H new ATOM 0 HA MET A 8 6.840 -6.667 -8.248 1.00 23.25 H new ATOM 0 HB2 MET A 8 8.355 -4.122 -7.703 1.00 44.53 H new ATOM 0 HB3 MET A 8 8.911 -5.558 -8.540 1.00 44.53 H new ATOM 0 HG2 MET A 8 7.019 -5.094 -10.242 1.00 34.24 H new ATOM 0 HG3 MET A 8 6.881 -3.518 -9.487 1.00 34.24 H new ATOM 0 HE1 MET A 8 9.928 -1.555 -10.438 1.00 73.43 H new ATOM 0 HE2 MET A 8 8.596 -1.825 -9.288 1.00 73.43 H new ATOM 0 HE3 MET A 8 10.173 -2.607 -9.024 1.00 73.43 H new ATOM 127 N LEU A 9 6.414 -6.597 -5.384 1.00 11.22 N ATOM 128 CA LEU A 9 6.749 -7.152 -4.084 1.00 50.50 C ATOM 129 C LEU A 9 7.427 -8.503 -4.305 1.00 71.32 C ATOM 130 O LEU A 9 7.072 -9.221 -5.255 1.00 5.15 O ATOM 131 CB LEU A 9 5.469 -7.285 -3.230 1.00 22.24 C ATOM 132 CG LEU A 9 5.373 -6.349 -2.010 1.00 63.31 C ATOM 133 CD1 LEU A 9 5.873 -4.927 -2.268 1.00 43.30 C ATOM 134 CD2 LEU A 9 3.907 -6.223 -1.601 1.00 32.23 C ATOM 0 H LEU A 9 5.414 -6.528 -5.574 1.00 11.22 H new ATOM 0 HA LEU A 9 7.433 -6.498 -3.543 1.00 50.50 H new ATOM 0 HB2 LEU A 9 4.607 -7.103 -3.872 1.00 22.24 H new ATOM 0 HB3 LEU A 9 5.394 -8.315 -2.880 1.00 22.24 H new ATOM 0 HG LEU A 9 6.005 -6.797 -1.243 1.00 63.31 H new ATOM 0 HD11 LEU A 9 5.770 -4.335 -1.359 1.00 43.30 H new ATOM 0 HD12 LEU A 9 6.921 -4.958 -2.564 1.00 43.30 H new ATOM 0 HD13 LEU A 9 5.284 -4.473 -3.065 1.00 43.30 H new ATOM 0 HD21 LEU A 9 3.826 -5.563 -0.738 1.00 32.23 H new ATOM 0 HD22 LEU A 9 3.332 -5.810 -2.430 1.00 32.23 H new ATOM 0 HD23 LEU A 9 3.515 -7.207 -1.343 1.00 32.23 H new ATOM 145 N PRO A 10 8.368 -8.879 -3.429 1.00 14.23 N ATOM 146 CA PRO A 10 8.848 -10.242 -3.357 1.00 4.45 C ATOM 147 C PRO A 10 7.740 -11.158 -2.886 1.00 50.24 C ATOM 148 O PRO A 10 6.709 -10.709 -2.389 1.00 62.10 O ATOM 149 CB PRO A 10 9.988 -10.229 -2.350 1.00 65.34 C ATOM 150 CG PRO A 10 9.729 -9.008 -1.479 1.00 51.12 C ATOM 151 CD PRO A 10 8.948 -8.056 -2.381 1.00 23.45 C ATOM 0 HA PRO A 10 9.179 -10.605 -4.330 1.00 4.45 H new ATOM 0 HB2 PRO A 10 10.000 -11.143 -1.756 1.00 65.34 H new ATOM 0 HB3 PRO A 10 10.955 -10.160 -2.849 1.00 65.34 H new ATOM 0 HG2 PRO A 10 9.158 -9.269 -0.588 1.00 51.12 H new ATOM 0 HG3 PRO A 10 10.662 -8.558 -1.139 1.00 51.12 H new ATOM 0 HD2 PRO A 10 8.172 -7.536 -1.820 1.00 23.45 H new ATOM 0 HD3 PRO A 10 9.603 -7.293 -2.802 1.00 23.45 H new ATOM 156 N GLN A 11 8.007 -12.455 -2.964 1.00 11.11 N ATOM 157 CA GLN A 11 7.116 -13.417 -2.339 1.00 74.13 C ATOM 158 C GLN A 11 7.404 -13.517 -0.834 1.00 44.34 C ATOM 159 O GLN A 11 6.502 -13.859 -0.078 1.00 14.41 O ATOM 160 CB GLN A 11 7.197 -14.760 -3.084 1.00 51.42 C ATOM 161 CG GLN A 11 6.183 -15.795 -2.581 1.00 44.23 C ATOM 162 CD GLN A 11 4.753 -15.253 -2.599 1.00 33.40 C ATOM 163 OE1 GLN A 11 4.165 -14.985 -3.642 1.00 11.53 O ATOM 164 NE2 GLN A 11 4.139 -15.088 -1.442 1.00 61.32 N ATOM 0 H GLN A 11 8.814 -12.856 -3.442 1.00 11.11 H new ATOM 0 HA GLN A 11 6.082 -13.082 -2.418 1.00 74.13 H new ATOM 0 HB2 GLN A 11 7.033 -14.588 -4.148 1.00 51.42 H new ATOM 0 HB3 GLN A 11 8.203 -15.166 -2.978 1.00 51.42 H new ATOM 0 HG2 GLN A 11 6.239 -16.689 -3.202 1.00 44.23 H new ATOM 0 HG3 GLN A 11 6.444 -16.095 -1.566 1.00 44.23 H new ATOM 0 HE21 GLN A 11 4.623 -15.309 -0.572 1.00 61.32 H new ATOM 0 HE22 GLN A 11 3.181 -14.739 -1.418 1.00 61.32 H new ATOM 171 N ALA A 12 8.627 -13.201 -0.386 1.00 30.32 N ATOM 172 CA ALA A 12 9.028 -13.485 0.987 1.00 5.52 C ATOM 173 C ALA A 12 8.533 -12.467 2.022 1.00 21.51 C ATOM 174 O ALA A 12 8.475 -12.828 3.199 1.00 10.00 O ATOM 175 CB ALA A 12 10.553 -13.587 1.082 1.00 51.43 C ATOM 0 H ALA A 12 9.346 -12.752 -0.954 1.00 30.32 H new ATOM 0 HA ALA A 12 8.551 -14.434 1.232 1.00 5.52 H new ATOM 0 HB1 ALA A 12 10.840 -13.799 2.112 1.00 51.43 H new ATOM 0 HB2 ALA A 12 10.905 -14.390 0.434 1.00 51.43 H new ATOM 0 HB3 ALA A 12 11.001 -12.644 0.767 1.00 51.43 H new ATOM 181 N ALA A 13 8.235 -11.227 1.608 1.00 54.22 N ATOM 182 CA ALA A 13 7.957 -10.121 2.525 1.00 31.15 C ATOM 183 C ALA A 13 6.739 -10.411 3.398 1.00 42.02 C ATOM 184 O ALA A 13 5.875 -11.215 3.041 1.00 41.05 O ATOM 185 CB ALA A 13 7.754 -8.805 1.755 1.00 71.32 C ATOM 0 H ALA A 13 8.181 -10.966 0.623 1.00 54.22 H new ATOM 0 HA ALA A 13 8.825 -10.015 3.176 1.00 31.15 H new ATOM 0 HB1 ALA A 13 7.549 -7.999 2.460 1.00 71.32 H new ATOM 0 HB2 ALA A 13 8.656 -8.572 1.189 1.00 71.32 H new ATOM 0 HB3 ALA A 13 6.913 -8.910 1.070 1.00 71.32 H new ATOM 191 N THR A 14 6.635 -9.675 4.499 1.00 50.04 N ATOM 192 CA THR A 14 5.542 -9.759 5.445 1.00 1.35 C ATOM 193 C THR A 14 4.894 -8.382 5.579 1.00 14.02 C ATOM 194 O THR A 14 5.434 -7.374 5.113 1.00 61.13 O ATOM 195 CB THR A 14 6.068 -10.362 6.765 1.00 41.40 C ATOM 196 OG1 THR A 14 7.063 -9.560 7.384 1.00 62.11 O ATOM 197 CG2 THR A 14 6.633 -11.776 6.569 1.00 72.11 C ATOM 0 H THR A 14 7.336 -8.982 4.761 1.00 50.04 H new ATOM 0 HA THR A 14 4.752 -10.428 5.104 1.00 1.35 H new ATOM 0 HB THR A 14 5.197 -10.403 7.419 1.00 41.40 H new ATOM 0 HG1 THR A 14 7.688 -9.231 6.704 1.00 62.11 H new ATOM 0 HG21 THR A 14 6.991 -12.160 7.524 1.00 72.11 H new ATOM 0 HG22 THR A 14 5.850 -12.431 6.185 1.00 72.11 H new ATOM 0 HG23 THR A 14 7.459 -11.743 5.858 1.00 72.11 H new ATOM 205 N GLU A 15 3.709 -8.325 6.191 1.00 32.55 N ATOM 206 CA GLU A 15 3.027 -7.081 6.494 1.00 63.54 C ATOM 207 C GLU A 15 3.960 -6.160 7.279 1.00 60.51 C ATOM 208 O GLU A 15 4.019 -4.952 7.041 1.00 2.42 O ATOM 209 CB GLU A 15 1.794 -7.426 7.342 1.00 11.21 C ATOM 210 CG GLU A 15 0.584 -6.549 7.069 1.00 13.44 C ATOM 211 CD GLU A 15 -0.406 -6.686 8.228 1.00 61.15 C ATOM 212 OE1 GLU A 15 -0.791 -7.820 8.598 1.00 44.33 O ATOM 213 OE2 GLU A 15 -0.794 -5.652 8.812 1.00 42.03 O ATOM 0 H GLU A 15 3.197 -9.155 6.490 1.00 32.55 H new ATOM 0 HA GLU A 15 2.730 -6.569 5.579 1.00 63.54 H new ATOM 0 HB2 GLU A 15 1.523 -8.466 7.162 1.00 11.21 H new ATOM 0 HB3 GLU A 15 2.058 -7.344 8.396 1.00 11.21 H new ATOM 0 HG2 GLU A 15 0.891 -5.509 6.958 1.00 13.44 H new ATOM 0 HG3 GLU A 15 0.110 -6.843 6.133 1.00 13.44 H new ATOM 218 N ASP A 16 4.683 -6.770 8.221 1.00 15.25 N ATOM 219 CA ASP A 16 5.539 -6.097 9.176 1.00 64.52 C ATOM 220 C ASP A 16 6.739 -5.420 8.506 1.00 12.01 C ATOM 221 O ASP A 16 7.224 -4.413 9.018 1.00 72.53 O ATOM 222 CB ASP A 16 6.023 -7.097 10.222 1.00 75.23 C ATOM 223 CG ASP A 16 6.730 -6.367 11.361 1.00 1.04 C ATOM 224 OD1 ASP A 16 6.055 -5.656 12.132 1.00 62.24 O ATOM 225 OD2 ASP A 16 7.964 -6.553 11.498 1.00 23.15 O ATOM 0 H ASP A 16 4.682 -7.783 8.336 1.00 15.25 H new ATOM 0 HA ASP A 16 4.950 -5.313 9.652 1.00 64.52 H new ATOM 0 HB2 ASP A 16 5.178 -7.664 10.613 1.00 75.23 H new ATOM 0 HB3 ASP A 16 6.703 -7.815 9.763 1.00 75.23 H new ATOM 229 N ASP A 17 7.189 -5.925 7.351 1.00 2.12 N ATOM 230 CA ASP A 17 8.272 -5.325 6.570 1.00 25.55 C ATOM 231 C ASP A 17 7.837 -3.948 6.095 1.00 74.31 C ATOM 232 O ASP A 17 8.520 -2.951 6.317 1.00 51.02 O ATOM 233 CB ASP A 17 8.659 -6.181 5.353 1.00 1.22 C ATOM 234 CG ASP A 17 9.445 -7.423 5.744 1.00 1.35 C ATOM 235 OD1 ASP A 17 10.648 -7.263 6.070 1.00 21.12 O ATOM 236 OD2 ASP A 17 8.847 -8.519 5.732 1.00 42.32 O ATOM 0 H ASP A 17 6.806 -6.771 6.930 1.00 2.12 H new ATOM 0 HA ASP A 17 9.148 -5.256 7.215 1.00 25.55 H new ATOM 0 HB2 ASP A 17 7.756 -6.479 4.820 1.00 1.22 H new ATOM 0 HB3 ASP A 17 9.253 -5.581 4.664 1.00 1.22 H new ATOM 240 N ILE A 18 6.668 -3.877 5.456 1.00 61.11 N ATOM 241 CA ILE A 18 6.157 -2.633 4.898 1.00 31.44 C ATOM 242 C ILE A 18 5.806 -1.691 6.044 1.00 21.43 C ATOM 243 O ILE A 18 6.134 -0.511 5.987 1.00 11.14 O ATOM 244 CB ILE A 18 4.962 -2.881 3.953 1.00 61.12 C ATOM 245 CG1 ILE A 18 5.340 -3.963 2.919 1.00 72.22 C ATOM 246 CG2 ILE A 18 4.597 -1.550 3.257 1.00 22.11 C ATOM 247 CD1 ILE A 18 4.218 -4.306 1.950 1.00 61.51 C ATOM 0 H ILE A 18 6.054 -4.679 5.313 1.00 61.11 H new ATOM 0 HA ILE A 18 6.926 -2.166 4.283 1.00 31.44 H new ATOM 0 HB ILE A 18 4.097 -3.235 4.514 1.00 61.12 H new ATOM 0 HG12 ILE A 18 6.206 -3.623 2.351 1.00 72.22 H new ATOM 0 HG13 ILE A 18 5.640 -4.868 3.447 1.00 72.22 H new ATOM 0 HG21 ILE A 18 3.753 -1.710 2.585 1.00 22.11 H new ATOM 0 HG22 ILE A 18 4.327 -0.808 4.009 1.00 22.11 H new ATOM 0 HG23 ILE A 18 5.453 -1.192 2.685 1.00 22.11 H new ATOM 0 HD11 ILE A 18 4.559 -5.073 1.255 1.00 61.51 H new ATOM 0 HD12 ILE A 18 3.358 -4.678 2.506 1.00 61.51 H new ATOM 0 HD13 ILE A 18 3.932 -3.413 1.394 1.00 61.51 H new ATOM 258 N ARG A 19 5.161 -2.198 7.098 1.00 21.43 N ATOM 259 CA ARG A 19 4.882 -1.419 8.303 1.00 11.41 C ATOM 260 C ARG A 19 6.185 -0.824 8.869 1.00 75.52 C ATOM 261 O ARG A 19 6.163 0.308 9.345 1.00 51.14 O ATOM 262 CB ARG A 19 4.139 -2.307 9.307 1.00 74.34 C ATOM 263 CG ARG A 19 2.673 -2.513 8.903 1.00 55.20 C ATOM 264 CD ARG A 19 2.120 -3.822 9.471 1.00 74.31 C ATOM 265 NE ARG A 19 1.918 -3.762 10.927 1.00 21.53 N ATOM 266 CZ ARG A 19 0.746 -3.770 11.579 1.00 11.14 C ATOM 267 NH1 ARG A 19 -0.402 -4.080 10.986 1.00 22.41 N ATOM 268 NH2 ARG A 19 0.759 -3.461 12.866 1.00 3.02 N ATOM 0 H ARG A 19 4.819 -3.158 7.138 1.00 21.43 H new ATOM 0 HA ARG A 19 4.237 -0.571 8.071 1.00 11.41 H new ATOM 0 HB2 ARG A 19 4.637 -3.274 9.376 1.00 74.34 H new ATOM 0 HB3 ARG A 19 4.184 -1.854 10.297 1.00 74.34 H new ATOM 0 HG2 ARG A 19 2.073 -1.676 9.261 1.00 55.20 H new ATOM 0 HG3 ARG A 19 2.591 -2.522 7.816 1.00 55.20 H new ATOM 0 HD2 ARG A 19 1.172 -4.054 8.985 1.00 74.31 H new ATOM 0 HD3 ARG A 19 2.806 -4.635 9.236 1.00 74.31 H new ATOM 0 HE ARG A 19 2.759 -3.709 11.502 1.00 21.53 H new ATOM 0 HH11 ARG A 19 -0.415 -4.325 9.996 1.00 22.41 H new ATOM 0 HH12 ARG A 19 -1.270 -4.073 11.521 1.00 22.41 H new ATOM 0 HH21 ARG A 19 1.639 -3.228 13.326 1.00 3.02 H new ATOM 0 HH22 ARG A 19 -0.111 -3.455 13.398 1.00 3.02 H new ATOM 279 N GLY A 20 7.319 -1.514 8.744 1.00 22.13 N ATOM 280 CA GLY A 20 8.636 -1.024 9.145 1.00 23.33 C ATOM 281 C GLY A 20 9.166 0.071 8.224 1.00 20.54 C ATOM 282 O GLY A 20 9.613 1.117 8.706 1.00 64.31 O ATOM 0 H GLY A 20 7.346 -2.455 8.350 1.00 22.13 H new ATOM 0 HA2 GLY A 20 8.581 -0.640 10.164 1.00 23.33 H new ATOM 0 HA3 GLY A 20 9.340 -1.856 9.155 1.00 23.33 H new ATOM 286 N GLN A 21 9.044 -0.101 6.904 1.00 3.22 N ATOM 287 CA GLN A 21 9.424 0.888 5.897 1.00 42.33 C ATOM 288 C GLN A 21 8.607 2.180 6.005 1.00 31.12 C ATOM 289 O GLN A 21 8.959 3.196 5.401 1.00 4.41 O ATOM 290 CB GLN A 21 9.254 0.275 4.494 1.00 64.34 C ATOM 291 CG GLN A 21 10.473 -0.521 3.999 1.00 73.40 C ATOM 292 CD GLN A 21 11.286 0.285 2.982 1.00 33.13 C ATOM 293 OE1 GLN A 21 11.328 -0.015 1.794 1.00 14.14 O ATOM 294 NE2 GLN A 21 11.897 1.383 3.393 1.00 21.52 N ATOM 0 H GLN A 21 8.667 -0.957 6.498 1.00 3.22 H new ATOM 0 HA GLN A 21 10.466 1.155 6.072 1.00 42.33 H new ATOM 0 HB2 GLN A 21 8.384 -0.382 4.500 1.00 64.34 H new ATOM 0 HB3 GLN A 21 9.044 1.075 3.784 1.00 64.34 H new ATOM 0 HG2 GLN A 21 11.106 -0.786 4.846 1.00 73.40 H new ATOM 0 HG3 GLN A 21 10.141 -1.455 3.545 1.00 73.40 H new ATOM 0 HE21 GLN A 21 11.869 1.643 4.379 1.00 21.52 H new ATOM 0 HE22 GLN A 21 12.396 1.970 2.724 1.00 21.52 H new ATOM 301 N LEU A 22 7.525 2.141 6.777 1.00 61.44 N ATOM 302 CA LEU A 22 6.621 3.244 7.030 1.00 71.31 C ATOM 303 C LEU A 22 6.970 3.919 8.342 1.00 32.35 C ATOM 304 O LEU A 22 7.205 5.129 8.374 1.00 0.25 O ATOM 305 CB LEU A 22 5.199 2.676 7.044 1.00 1.15 C ATOM 306 CG LEU A 22 4.778 2.310 5.615 1.00 33.13 C ATOM 307 CD1 LEU A 22 3.516 1.474 5.656 1.00 60.13 C ATOM 308 CD2 LEU A 22 4.478 3.558 4.805 1.00 43.14 C ATOM 0 H LEU A 22 7.246 1.291 7.266 1.00 61.44 H new ATOM 0 HA LEU A 22 6.703 4.006 6.255 1.00 71.31 H new ATOM 0 HB2 LEU A 22 5.155 1.795 7.684 1.00 1.15 H new ATOM 0 HB3 LEU A 22 4.508 3.408 7.461 1.00 1.15 H new ATOM 0 HG LEU A 22 5.598 1.759 5.155 1.00 33.13 H new ATOM 0 HD11 LEU A 22 3.218 1.215 4.640 1.00 60.13 H new ATOM 0 HD12 LEU A 22 3.702 0.562 6.223 1.00 60.13 H new ATOM 0 HD13 LEU A 22 2.718 2.043 6.134 1.00 60.13 H new ATOM 0 HD21 LEU A 22 4.182 3.274 3.795 1.00 43.14 H new ATOM 0 HD22 LEU A 22 3.668 4.113 5.278 1.00 43.14 H new ATOM 0 HD23 LEU A 22 5.369 4.185 4.759 1.00 43.14 H new ATOM 319 N GLN A 23 7.060 3.145 9.422 1.00 53.04 N ATOM 320 CA GLN A 23 7.444 3.716 10.706 1.00 43.13 C ATOM 321 C GLN A 23 8.846 4.310 10.631 1.00 44.44 C ATOM 322 O GLN A 23 9.146 5.263 11.351 1.00 53.04 O ATOM 323 CB GLN A 23 7.342 2.661 11.796 1.00 40.12 C ATOM 324 CG GLN A 23 5.853 2.352 12.034 1.00 71.24 C ATOM 325 CD GLN A 23 5.564 1.847 13.437 1.00 74.40 C ATOM 326 OE1 GLN A 23 5.977 0.759 13.817 1.00 11.23 O ATOM 327 NE2 GLN A 23 4.834 2.612 14.235 1.00 44.00 N ATOM 0 H GLN A 23 6.876 2.142 9.433 1.00 53.04 H new ATOM 0 HA GLN A 23 6.759 4.526 10.955 1.00 43.13 H new ATOM 0 HB2 GLN A 23 7.874 1.757 11.500 1.00 40.12 H new ATOM 0 HB3 GLN A 23 7.807 3.019 12.715 1.00 40.12 H new ATOM 0 HG2 GLN A 23 5.268 3.253 11.851 1.00 71.24 H new ATOM 0 HG3 GLN A 23 5.523 1.606 11.311 1.00 71.24 H new ATOM 0 HE21 GLN A 23 4.496 3.516 13.906 1.00 44.00 H new ATOM 0 HE22 GLN A 23 4.610 2.297 15.179 1.00 44.00 H new ATOM 334 N SER A 24 9.653 3.844 9.677 1.00 24.33 N ATOM 335 CA SER A 24 10.850 4.503 9.237 1.00 42.23 C ATOM 336 C SER A 24 10.610 5.987 8.935 1.00 75.51 C ATOM 337 O SER A 24 11.331 6.808 9.507 1.00 4.43 O ATOM 338 CB SER A 24 11.360 3.743 8.017 1.00 35.11 C ATOM 339 OG SER A 24 11.933 2.508 8.403 1.00 52.04 O ATOM 0 H SER A 24 9.472 2.970 9.184 1.00 24.33 H new ATOM 0 HA SER A 24 11.601 4.491 10.027 1.00 42.23 H new ATOM 0 HB2 SER A 24 10.539 3.568 7.322 1.00 35.11 H new ATOM 0 HB3 SER A 24 12.101 4.345 7.490 1.00 35.11 H new ATOM 0 HG SER A 24 11.228 1.832 8.487 1.00 52.04 H new ATOM 344 N HIS A 25 9.659 6.398 8.067 1.00 64.21 N ATOM 345 CA HIS A 25 9.868 7.725 7.480 1.00 75.50 C ATOM 346 C HIS A 25 9.029 8.763 8.234 1.00 31.44 C ATOM 347 O HIS A 25 9.219 9.959 8.038 1.00 55.44 O ATOM 348 CB HIS A 25 9.628 7.737 5.964 1.00 14.32 C ATOM 349 CG HIS A 25 8.315 8.213 5.476 1.00 15.43 C ATOM 350 ND1 HIS A 25 7.995 9.538 5.267 1.00 64.22 N ATOM 351 CD2 HIS A 25 7.399 7.449 4.840 1.00 24.25 C ATOM 352 CE1 HIS A 25 6.866 9.560 4.554 1.00 43.41 C ATOM 353 NE2 HIS A 25 6.455 8.316 4.299 1.00 34.54 N ATOM 0 H HIS A 25 8.823 5.887 7.783 1.00 64.21 H new ATOM 0 HA HIS A 25 10.917 7.998 7.598 1.00 75.50 H new ATOM 0 HB2 HIS A 25 10.399 8.357 5.508 1.00 14.32 H new ATOM 0 HB3 HIS A 25 9.775 6.722 5.594 1.00 14.32 H new ATOM 0 HD1 HIS A 25 8.521 10.348 5.595 1.00 64.22 H new ATOM 0 HD2 HIS A 25 7.400 6.372 4.766 1.00 24.25 H new ATOM 0 HE1 HIS A 25 6.358 10.456 4.230 1.00 43.41 H new ATOM 360 N GLY A 26 8.132 8.326 9.128 1.00 15.02 N ATOM 361 CA GLY A 26 7.240 9.194 9.891 1.00 43.42 C ATOM 362 C GLY A 26 5.790 9.000 9.480 1.00 24.21 C ATOM 363 O GLY A 26 5.010 9.960 9.473 1.00 51.34 O ATOM 0 H GLY A 26 8.008 7.336 9.342 1.00 15.02 H new ATOM 0 HA2 GLY A 26 7.349 8.985 10.955 1.00 43.42 H new ATOM 0 HA3 GLY A 26 7.526 10.235 9.740 1.00 43.42 H new ATOM 367 N VAL A 27 5.452 7.776 9.077 1.00 11.45 N ATOM 368 CA VAL A 27 4.129 7.396 8.614 1.00 64.53 C ATOM 369 C VAL A 27 3.599 6.196 9.398 1.00 60.42 C ATOM 370 O VAL A 27 4.305 5.543 10.175 1.00 4.33 O ATOM 371 CB VAL A 27 4.141 7.150 7.090 1.00 14.23 C ATOM 372 CG1 VAL A 27 3.988 8.452 6.318 1.00 71.34 C ATOM 373 CG2 VAL A 27 5.300 6.350 6.570 1.00 55.31 C ATOM 0 H VAL A 27 6.116 7.002 9.065 1.00 11.45 H new ATOM 0 HA VAL A 27 3.440 8.219 8.801 1.00 64.53 H new ATOM 0 HB VAL A 27 3.271 6.518 6.915 1.00 14.23 H new ATOM 0 HG11 VAL A 27 4.000 8.244 5.248 1.00 71.34 H new ATOM 0 HG12 VAL A 27 3.043 8.924 6.585 1.00 71.34 H new ATOM 0 HG13 VAL A 27 4.811 9.122 6.567 1.00 71.34 H new ATOM 0 HG21 VAL A 27 5.209 6.237 5.490 1.00 55.31 H new ATOM 0 HG22 VAL A 27 6.232 6.865 6.804 1.00 55.31 H new ATOM 0 HG23 VAL A 27 5.302 5.366 7.038 1.00 55.31 H new ATOM 383 N GLN A 28 2.324 5.908 9.163 1.00 33.54 N ATOM 384 CA GLN A 28 1.563 4.820 9.729 1.00 74.32 C ATOM 385 C GLN A 28 0.982 4.043 8.545 1.00 2.11 C ATOM 386 O GLN A 28 0.543 4.656 7.565 1.00 32.34 O ATOM 387 CB GLN A 28 0.497 5.444 10.662 1.00 60.31 C ATOM 388 CG GLN A 28 -0.819 5.835 9.948 1.00 23.14 C ATOM 389 CD GLN A 28 -1.579 6.994 10.578 1.00 61.54 C ATOM 390 OE1 GLN A 28 -2.637 6.823 11.182 1.00 14.25 O ATOM 391 NE2 GLN A 28 -1.127 8.211 10.340 1.00 44.41 N ATOM 0 H GLN A 28 1.763 6.474 8.526 1.00 33.54 H new ATOM 0 HA GLN A 28 2.144 4.123 10.333 1.00 74.32 H new ATOM 0 HB2 GLN A 28 0.269 4.736 11.459 1.00 60.31 H new ATOM 0 HB3 GLN A 28 0.918 6.331 11.135 1.00 60.31 H new ATOM 0 HG2 GLN A 28 -0.590 6.091 8.914 1.00 23.14 H new ATOM 0 HG3 GLN A 28 -1.473 4.963 9.923 1.00 23.14 H new ATOM 0 HE21 GLN A 28 -0.248 8.340 9.838 1.00 44.41 H new ATOM 0 HE22 GLN A 28 -1.656 9.023 10.658 1.00 44.41 H new ATOM 398 N ALA A 29 0.965 2.714 8.598 1.00 51.31 N ATOM 399 CA ALA A 29 0.052 1.919 7.840 1.00 12.24 C ATOM 400 C ALA A 29 -1.268 1.775 8.610 1.00 75.21 C ATOM 401 O ALA A 29 -1.399 0.873 9.440 1.00 21.22 O ATOM 402 CB ALA A 29 0.636 0.552 7.509 1.00 40.34 C ATOM 0 H ALA A 29 1.600 2.169 9.181 1.00 51.31 H new ATOM 0 HA ALA A 29 -0.137 2.424 6.893 1.00 12.24 H new ATOM 0 HB1 ALA A 29 -0.088 -0.023 6.932 1.00 40.34 H new ATOM 0 HB2 ALA A 29 1.548 0.678 6.925 1.00 40.34 H new ATOM 0 HB3 ALA A 29 0.867 0.022 8.433 1.00 40.34 H new ATOM 408 N ARG A 30 -2.245 2.651 8.366 1.00 4.32 N ATOM 409 CA ARG A 30 -3.534 2.618 9.063 1.00 71.50 C ATOM 410 C ARG A 30 -4.407 1.443 8.625 1.00 63.51 C ATOM 411 O ARG A 30 -5.299 1.014 9.364 1.00 61.24 O ATOM 412 CB ARG A 30 -4.239 3.966 8.871 1.00 73.22 C ATOM 413 CG ARG A 30 -5.501 4.104 9.742 1.00 40.02 C ATOM 414 CD ARG A 30 -6.735 4.095 8.841 1.00 74.20 C ATOM 415 NE ARG A 30 -7.983 3.853 9.580 1.00 34.24 N ATOM 416 CZ ARG A 30 -8.692 2.720 9.473 1.00 24.45 C ATOM 417 NH1 ARG A 30 -8.138 1.608 8.996 1.00 15.45 N ATOM 418 NH2 ARG A 30 -9.963 2.683 9.850 1.00 31.45 N ATOM 0 H ARG A 30 -2.166 3.402 7.681 1.00 4.32 H new ATOM 0 HA ARG A 30 -3.352 2.459 10.126 1.00 71.50 H new ATOM 0 HB2 ARG A 30 -3.546 4.772 9.112 1.00 73.22 H new ATOM 0 HB3 ARG A 30 -4.511 4.083 7.822 1.00 73.22 H new ATOM 0 HG2 ARG A 30 -5.554 3.285 10.460 1.00 40.02 H new ATOM 0 HG3 ARG A 30 -5.462 5.029 10.316 1.00 40.02 H new ATOM 0 HD2 ARG A 30 -6.806 5.051 8.322 1.00 74.20 H new ATOM 0 HD3 ARG A 30 -6.616 3.326 8.078 1.00 74.20 H new ATOM 0 HE ARG A 30 -8.326 4.583 10.205 1.00 34.24 H new ATOM 0 HH11 ARG A 30 -7.160 1.609 8.705 1.00 15.45 H new ATOM 0 HH12 ARG A 30 -8.691 0.754 8.921 1.00 15.45 H new ATOM 0 HH21 ARG A 30 -10.408 3.521 10.225 1.00 31.45 H new ATOM 0 HH22 ARG A 30 -10.495 1.817 9.765 1.00 31.45 H new ATOM 429 N GLU A 31 -4.176 0.896 7.440 1.00 53.33 N ATOM 430 CA GLU A 31 -4.483 -0.495 7.140 1.00 34.41 C ATOM 431 C GLU A 31 -3.433 -1.025 6.160 1.00 32.53 C ATOM 432 O GLU A 31 -2.638 -0.252 5.626 1.00 51.32 O ATOM 433 CB GLU A 31 -5.916 -0.661 6.596 1.00 54.32 C ATOM 434 CG GLU A 31 -6.480 -2.002 7.077 1.00 73.15 C ATOM 435 CD GLU A 31 -7.806 -2.403 6.429 1.00 43.14 C ATOM 436 OE1 GLU A 31 -8.743 -1.579 6.419 1.00 13.42 O ATOM 437 OE2 GLU A 31 -7.895 -3.555 5.949 1.00 43.24 O ATOM 0 H GLU A 31 -3.769 1.407 6.657 1.00 53.33 H new ATOM 0 HA GLU A 31 -4.445 -1.081 8.059 1.00 34.41 H new ATOM 0 HB2 GLU A 31 -6.547 0.158 6.941 1.00 54.32 H new ATOM 0 HB3 GLU A 31 -5.912 -0.623 5.507 1.00 54.32 H new ATOM 0 HG2 GLU A 31 -5.744 -2.782 6.881 1.00 73.15 H new ATOM 0 HG3 GLU A 31 -6.617 -1.957 8.157 1.00 73.15 H new ATOM 442 N VAL A 32 -3.421 -2.336 5.921 1.00 73.32 N ATOM 443 CA VAL A 32 -2.601 -3.038 4.948 1.00 42.41 C ATOM 444 C VAL A 32 -3.167 -4.433 4.676 1.00 4.02 C ATOM 445 O VAL A 32 -3.750 -5.073 5.554 1.00 42.24 O ATOM 446 CB VAL A 32 -1.087 -2.922 5.272 1.00 44.44 C ATOM 447 CG1 VAL A 32 -0.757 -3.072 6.758 1.00 14.34 C ATOM 448 CG2 VAL A 32 -0.277 -4.014 4.549 1.00 32.52 C ATOM 0 H VAL A 32 -4.026 -2.973 6.439 1.00 73.32 H new ATOM 0 HA VAL A 32 -2.658 -2.547 3.977 1.00 42.41 H new ATOM 0 HB VAL A 32 -0.822 -1.919 4.938 1.00 44.44 H new ATOM 0 HG11 VAL A 32 0.319 -2.979 6.903 1.00 14.34 H new ATOM 0 HG12 VAL A 32 -1.268 -2.294 7.325 1.00 14.34 H new ATOM 0 HG13 VAL A 32 -1.087 -4.051 7.107 1.00 14.34 H new ATOM 0 HG21 VAL A 32 0.779 -3.907 4.795 1.00 32.52 H new ATOM 0 HG22 VAL A 32 -0.626 -4.996 4.867 1.00 32.52 H new ATOM 0 HG23 VAL A 32 -0.410 -3.913 3.472 1.00 32.52 H new ATOM 458 N ARG A 33 -2.995 -4.868 3.426 1.00 25.51 N ATOM 459 CA ARG A 33 -3.364 -6.155 2.852 1.00 24.32 C ATOM 460 C ARG A 33 -2.114 -6.679 2.153 1.00 5.20 C ATOM 461 O ARG A 33 -1.921 -6.399 0.969 1.00 45.32 O ATOM 462 CB ARG A 33 -4.565 -5.962 1.910 1.00 72.42 C ATOM 463 CG ARG A 33 -5.807 -5.517 2.704 1.00 5.14 C ATOM 464 CD ARG A 33 -7.106 -5.775 1.941 1.00 45.03 C ATOM 465 NE ARG A 33 -7.434 -4.738 0.950 1.00 31.33 N ATOM 466 CZ ARG A 33 -8.584 -4.723 0.266 1.00 21.31 C ATOM 467 NH1 ARG A 33 -9.409 -5.769 0.301 1.00 12.32 N ATOM 468 NH2 ARG A 33 -8.898 -3.657 -0.458 1.00 73.41 N ATOM 0 H ARG A 33 -2.552 -4.269 2.729 1.00 25.51 H new ATOM 0 HA ARG A 33 -3.685 -6.885 3.595 1.00 24.32 H new ATOM 0 HB2 ARG A 33 -4.324 -5.216 1.152 1.00 72.42 H new ATOM 0 HB3 ARG A 33 -4.776 -6.894 1.385 1.00 72.42 H new ATOM 0 HG2 ARG A 33 -5.836 -6.047 3.656 1.00 5.14 H new ATOM 0 HG3 ARG A 33 -5.728 -4.454 2.933 1.00 5.14 H new ATOM 0 HD2 ARG A 33 -7.033 -6.737 1.434 1.00 45.03 H new ATOM 0 HD3 ARG A 33 -7.926 -5.853 2.655 1.00 45.03 H new ATOM 0 HE ARG A 33 -6.754 -3.997 0.777 1.00 31.33 H new ATOM 0 HH11 ARG A 33 -9.166 -6.592 0.853 1.00 12.32 H new ATOM 0 HH12 ARG A 33 -10.283 -5.747 -0.224 1.00 12.32 H new ATOM 0 HH21 ARG A 33 -8.265 -2.858 -0.490 1.00 73.41 H new ATOM 0 HH22 ARG A 33 -9.772 -3.636 -0.983 1.00 73.41 H new ATOM 479 N LEU A 34 -1.199 -7.311 2.899 1.00 54.33 N ATOM 480 CA LEU A 34 -0.023 -7.979 2.343 1.00 5.32 C ATOM 481 C LEU A 34 -0.391 -9.445 2.080 1.00 21.53 C ATOM 482 O LEU A 34 -1.408 -9.904 2.588 1.00 14.43 O ATOM 483 CB LEU A 34 1.124 -7.796 3.360 1.00 30.11 C ATOM 484 CG LEU A 34 2.570 -8.100 2.922 1.00 73.30 C ATOM 485 CD1 LEU A 34 3.000 -9.558 3.071 1.00 34.44 C ATOM 486 CD2 LEU A 34 2.903 -7.598 1.526 1.00 52.13 C ATOM 0 H LEU A 34 -1.258 -7.372 3.915 1.00 54.33 H new ATOM 0 HA LEU A 34 0.307 -7.562 1.392 1.00 5.32 H new ATOM 0 HB2 LEU A 34 1.096 -6.762 3.705 1.00 30.11 H new ATOM 0 HB3 LEU A 34 0.903 -8.426 4.222 1.00 30.11 H new ATOM 0 HG LEU A 34 3.156 -7.528 3.641 1.00 73.30 H new ATOM 0 HD11 LEU A 34 4.032 -9.669 2.737 1.00 34.44 H new ATOM 0 HD12 LEU A 34 2.923 -9.855 4.117 1.00 34.44 H new ATOM 0 HD13 LEU A 34 2.352 -10.192 2.466 1.00 34.44 H new ATOM 0 HD21 LEU A 34 3.937 -7.848 1.286 1.00 52.13 H new ATOM 0 HD22 LEU A 34 2.239 -8.069 0.802 1.00 52.13 H new ATOM 0 HD23 LEU A 34 2.773 -6.516 1.488 1.00 52.13 H new ATOM 497 N MET A 35 0.438 -10.199 1.347 1.00 31.13 N ATOM 498 CA MET A 35 0.298 -11.614 0.953 1.00 61.45 C ATOM 499 C MET A 35 0.091 -12.651 2.084 1.00 11.34 C ATOM 500 O MET A 35 0.294 -13.848 1.863 1.00 63.41 O ATOM 501 CB MET A 35 1.514 -12.049 0.105 1.00 52.33 C ATOM 502 CG MET A 35 1.753 -11.269 -1.198 1.00 30.40 C ATOM 503 SD MET A 35 2.895 -9.876 -1.155 1.00 63.43 S ATOM 504 CE MET A 35 4.383 -10.645 -0.459 1.00 22.33 C ATOM 0 H MET A 35 1.303 -9.802 0.980 1.00 31.13 H new ATOM 0 HA MET A 35 -0.637 -11.624 0.393 1.00 61.45 H new ATOM 0 HB2 MET A 35 2.408 -11.965 0.722 1.00 52.33 H new ATOM 0 HB3 MET A 35 1.397 -13.104 -0.145 1.00 52.33 H new ATOM 0 HG2 MET A 35 2.114 -11.974 -1.947 1.00 30.40 H new ATOM 0 HG3 MET A 35 0.789 -10.899 -1.547 1.00 30.40 H new ATOM 0 HE1 MET A 35 5.243 -9.998 -0.634 1.00 22.33 H new ATOM 0 HE2 MET A 35 4.250 -10.790 0.613 1.00 22.33 H new ATOM 0 HE3 MET A 35 4.551 -11.610 -0.937 1.00 22.33 H new ATOM 512 N ARG A 36 -0.290 -12.250 3.297 1.00 45.01 N ATOM 513 CA ARG A 36 -0.656 -13.144 4.380 1.00 63.55 C ATOM 514 C ARG A 36 -1.992 -12.693 4.956 1.00 70.24 C ATOM 515 O ARG A 36 -2.070 -11.688 5.669 1.00 64.15 O ATOM 516 CB ARG A 36 0.419 -13.168 5.463 1.00 45.45 C ATOM 517 CG ARG A 36 1.811 -13.672 5.019 1.00 43.13 C ATOM 518 CD ARG A 36 2.968 -13.102 5.857 1.00 61.32 C ATOM 519 NE ARG A 36 2.816 -13.351 7.301 1.00 4.20 N ATOM 520 CZ ARG A 36 3.437 -14.280 8.042 1.00 61.31 C ATOM 521 NH1 ARG A 36 4.274 -15.165 7.506 1.00 33.44 N ATOM 522 NH2 ARG A 36 3.197 -14.333 9.342 1.00 52.01 N ATOM 0 H ARG A 36 -0.352 -11.265 3.554 1.00 45.01 H new ATOM 0 HA ARG A 36 -0.746 -14.159 3.993 1.00 63.55 H new ATOM 0 HB2 ARG A 36 0.529 -12.159 5.862 1.00 45.45 H new ATOM 0 HB3 ARG A 36 0.070 -13.798 6.281 1.00 45.45 H new ATOM 0 HG2 ARG A 36 1.831 -14.760 5.080 1.00 43.13 H new ATOM 0 HG3 ARG A 36 1.967 -13.409 3.973 1.00 43.13 H new ATOM 0 HD2 ARG A 36 3.906 -13.541 5.516 1.00 61.32 H new ATOM 0 HD3 ARG A 36 3.038 -12.028 5.685 1.00 61.32 H new ATOM 0 HE ARG A 36 2.161 -12.745 7.795 1.00 4.20 H new ATOM 0 HH11 ARG A 36 4.459 -15.149 6.503 1.00 33.44 H new ATOM 0 HH12 ARG A 36 4.730 -15.859 8.098 1.00 33.44 H new ATOM 0 HH21 ARG A 36 2.547 -13.673 9.768 1.00 52.01 H new ATOM 0 HH22 ARG A 36 3.662 -15.034 9.918 1.00 52.01 H new ATOM 533 N ASN A 37 -3.053 -13.427 4.640 1.00 50.15 N ATOM 534 CA ASN A 37 -4.364 -13.314 5.272 1.00 5.34 C ATOM 535 C ASN A 37 -5.131 -14.621 5.177 1.00 65.52 C ATOM 536 O ASN A 37 -5.239 -15.207 4.101 1.00 52.44 O ATOM 537 CB ASN A 37 -5.186 -12.214 4.604 1.00 1.14 C ATOM 538 CG ASN A 37 -6.494 -11.931 5.344 1.00 72.54 C ATOM 539 OD1 ASN A 37 -6.695 -12.352 6.478 1.00 10.11 O ATOM 540 ND2 ASN A 37 -7.438 -11.261 4.714 1.00 62.52 N ATOM 0 H ASN A 37 -3.024 -14.141 3.912 1.00 50.15 H new ATOM 0 HA ASN A 37 -4.201 -13.069 6.321 1.00 5.34 H new ATOM 0 HB2 ASN A 37 -4.594 -11.300 4.556 1.00 1.14 H new ATOM 0 HB3 ASN A 37 -5.408 -12.504 3.577 1.00 1.14 H new ATOM 0 HD21 ASN A 37 -8.335 -11.093 5.170 1.00 62.52 H new ATOM 0 HD22 ASN A 37 -7.272 -10.910 3.771 1.00 62.52 H new ATOM 546 N LYS A 38 -5.747 -15.028 6.280 1.00 51.21 N ATOM 547 CA LYS A 38 -6.679 -16.135 6.357 1.00 33.22 C ATOM 548 C LYS A 38 -7.794 -15.983 5.319 1.00 31.51 C ATOM 549 O LYS A 38 -7.979 -16.890 4.515 1.00 54.24 O ATOM 550 CB LYS A 38 -7.181 -16.327 7.805 1.00 3.04 C ATOM 551 CG LYS A 38 -7.566 -15.075 8.630 1.00 33.52 C ATOM 552 CD LYS A 38 -6.447 -14.291 9.350 1.00 74.41 C ATOM 553 CE LYS A 38 -5.617 -15.171 10.295 1.00 53.34 C ATOM 554 NZ LYS A 38 -4.619 -14.394 11.057 1.00 4.02 N ATOM 0 H LYS A 38 -5.601 -14.573 7.181 1.00 51.21 H new ATOM 0 HA LYS A 38 -6.165 -17.061 6.098 1.00 33.22 H new ATOM 0 HB2 LYS A 38 -8.053 -16.980 7.769 1.00 3.04 H new ATOM 0 HB3 LYS A 38 -6.406 -16.860 8.356 1.00 3.04 H new ATOM 0 HG2 LYS A 38 -8.078 -14.383 7.961 1.00 33.52 H new ATOM 0 HG3 LYS A 38 -8.290 -15.385 9.383 1.00 33.52 H new ATOM 0 HD2 LYS A 38 -5.788 -13.842 8.607 1.00 74.41 H new ATOM 0 HD3 LYS A 38 -6.890 -13.473 9.918 1.00 74.41 H new ATOM 0 HE2 LYS A 38 -6.283 -15.682 10.990 1.00 53.34 H new ATOM 0 HE3 LYS A 38 -5.108 -15.942 9.716 1.00 53.34 H new ATOM 0 HZ1 LYS A 38 -4.084 -15.032 11.680 1.00 4.02 H new ATOM 0 HZ2 LYS A 38 -3.965 -13.927 10.397 1.00 4.02 H new ATOM 0 HZ3 LYS A 38 -5.104 -13.675 11.631 1.00 4.02 H new ATOM 564 N SER A 39 -8.464 -14.828 5.260 1.00 24.54 N ATOM 565 CA SER A 39 -9.695 -14.660 4.489 1.00 21.53 C ATOM 566 C SER A 39 -9.571 -14.891 2.979 1.00 34.11 C ATOM 567 O SER A 39 -10.591 -15.132 2.335 1.00 22.53 O ATOM 568 CB SER A 39 -10.271 -13.260 4.741 1.00 23.52 C ATOM 569 OG SER A 39 -11.572 -13.325 5.305 1.00 42.12 O ATOM 0 H SER A 39 -8.166 -13.983 5.747 1.00 24.54 H new ATOM 0 HA SER A 39 -10.360 -15.446 4.846 1.00 21.53 H new ATOM 0 HB2 SER A 39 -9.610 -12.709 5.411 1.00 23.52 H new ATOM 0 HB3 SER A 39 -10.308 -12.706 3.803 1.00 23.52 H new ATOM 0 HG SER A 39 -11.909 -12.417 5.455 1.00 42.12 H new ATOM 574 N SER A 40 -8.376 -14.759 2.394 1.00 33.44 N ATOM 575 CA SER A 40 -8.205 -14.917 0.948 1.00 44.02 C ATOM 576 C SER A 40 -6.747 -15.130 0.542 1.00 22.12 C ATOM 577 O SER A 40 -6.473 -15.680 -0.520 1.00 63.34 O ATOM 578 CB SER A 40 -8.720 -13.651 0.247 1.00 32.50 C ATOM 579 OG SER A 40 -9.509 -13.968 -0.878 1.00 1.01 O ATOM 0 H SER A 40 -7.516 -14.544 2.899 1.00 33.44 H new ATOM 0 HA SER A 40 -8.766 -15.803 0.651 1.00 44.02 H new ATOM 0 HB2 SER A 40 -9.307 -13.058 0.949 1.00 32.50 H new ATOM 0 HB3 SER A 40 -7.875 -13.035 -0.062 1.00 32.50 H new ATOM 0 HG SER A 40 -9.823 -13.141 -1.301 1.00 1.01 H new ATOM 584 N GLY A 41 -5.809 -14.653 1.360 1.00 61.34 N ATOM 585 CA GLY A 41 -4.383 -14.755 1.112 1.00 65.24 C ATOM 586 C GLY A 41 -3.766 -13.410 0.781 1.00 71.11 C ATOM 587 O GLY A 41 -2.603 -13.199 1.103 1.00 3.20 O ATOM 0 H GLY A 41 -6.032 -14.175 2.233 1.00 61.34 H new ATOM 0 HA2 GLY A 41 -3.891 -15.173 1.990 1.00 65.24 H new ATOM 0 HA3 GLY A 41 -4.207 -15.447 0.289 1.00 65.24 H new ATOM 591 N GLN A 42 -4.538 -12.469 0.222 1.00 72.23 N ATOM 592 CA GLN A 42 -4.144 -11.171 -0.260 1.00 31.30 C ATOM 593 C GLN A 42 -2.864 -11.207 -1.116 1.00 11.42 C ATOM 594 O GLN A 42 -2.056 -10.282 -1.138 1.00 31.33 O ATOM 595 CB GLN A 42 -4.114 -10.305 0.987 1.00 23.33 C ATOM 596 CG GLN A 42 -5.512 -9.986 1.535 1.00 23.51 C ATOM 597 CD GLN A 42 -5.474 -9.231 2.862 1.00 42.32 C ATOM 598 OE1 GLN A 42 -4.466 -9.182 3.559 1.00 45.14 O ATOM 599 NE2 GLN A 42 -6.607 -8.703 3.281 1.00 30.14 N ATOM 0 H GLN A 42 -5.537 -12.626 0.092 1.00 72.23 H new ATOM 0 HA GLN A 42 -4.839 -10.744 -0.983 1.00 31.30 H new ATOM 0 HB2 GLN A 42 -3.535 -10.811 1.759 1.00 23.33 H new ATOM 0 HB3 GLN A 42 -3.598 -9.372 0.761 1.00 23.33 H new ATOM 0 HG2 GLN A 42 -6.057 -9.393 0.801 1.00 23.51 H new ATOM 0 HG3 GLN A 42 -6.065 -10.916 1.668 1.00 23.51 H new ATOM 0 HE21 GLN A 42 -7.439 -8.749 2.693 1.00 30.14 H new ATOM 0 HE22 GLN A 42 -6.651 -8.248 4.193 1.00 30.14 H new ATOM 606 N SER A 43 -2.679 -12.320 -1.825 1.00 64.41 N ATOM 607 CA SER A 43 -1.398 -12.878 -2.200 1.00 64.12 C ATOM 608 C SER A 43 -1.225 -12.861 -3.714 1.00 54.12 C ATOM 609 O SER A 43 -1.773 -13.724 -4.400 1.00 25.22 O ATOM 610 CB SER A 43 -1.291 -14.276 -1.572 1.00 21.01 C ATOM 611 OG SER A 43 -2.541 -14.952 -1.608 1.00 74.31 O ATOM 0 H SER A 43 -3.462 -12.878 -2.166 1.00 64.41 H new ATOM 0 HA SER A 43 -0.574 -12.276 -1.818 1.00 64.12 H new ATOM 0 HB2 SER A 43 -0.542 -14.861 -2.106 1.00 21.01 H new ATOM 0 HB3 SER A 43 -0.951 -14.189 -0.540 1.00 21.01 H new ATOM 0 HG SER A 43 -2.445 -15.839 -1.204 1.00 74.31 H new ATOM 616 N ARG A 44 -0.521 -11.853 -4.247 1.00 31.00 N ATOM 617 CA ARG A 44 -0.348 -11.697 -5.698 1.00 4.31 C ATOM 618 C ARG A 44 0.979 -11.059 -6.136 1.00 71.34 C ATOM 619 O ARG A 44 1.204 -10.969 -7.347 1.00 51.42 O ATOM 620 CB ARG A 44 -1.551 -10.906 -6.264 1.00 43.52 C ATOM 621 CG ARG A 44 -2.544 -11.813 -7.011 1.00 33.13 C ATOM 622 CD ARG A 44 -3.824 -11.046 -7.352 1.00 21.44 C ATOM 623 NE ARG A 44 -4.672 -11.794 -8.290 1.00 64.01 N ATOM 624 CZ ARG A 44 -5.666 -12.650 -8.023 1.00 21.11 C ATOM 625 NH1 ARG A 44 -6.092 -12.863 -6.778 1.00 65.31 N ATOM 626 NH2 ARG A 44 -6.236 -13.308 -9.023 1.00 32.30 N ATOM 0 H ARG A 44 -0.061 -11.131 -3.693 1.00 31.00 H new ATOM 0 HA ARG A 44 -0.309 -12.705 -6.111 1.00 4.31 H new ATOM 0 HB2 ARG A 44 -2.067 -10.400 -5.448 1.00 43.52 H new ATOM 0 HB3 ARG A 44 -1.189 -10.132 -6.941 1.00 43.52 H new ATOM 0 HG2 ARG A 44 -2.085 -12.189 -7.925 1.00 33.13 H new ATOM 0 HG3 ARG A 44 -2.786 -12.680 -6.396 1.00 33.13 H new ATOM 0 HD2 ARG A 44 -4.382 -10.845 -6.438 1.00 21.44 H new ATOM 0 HD3 ARG A 44 -3.565 -10.080 -7.786 1.00 21.44 H new ATOM 0 HE ARG A 44 -4.477 -11.640 -9.279 1.00 64.01 H new ATOM 0 HH11 ARG A 44 -5.658 -12.368 -5.999 1.00 65.31 H new ATOM 0 HH12 ARG A 44 -6.852 -13.521 -6.604 1.00 65.31 H new ATOM 0 HH21 ARG A 44 -5.916 -13.159 -9.980 1.00 32.30 H new ATOM 0 HH22 ARG A 44 -6.995 -13.964 -8.835 1.00 32.30 H new ATOM 637 N GLY A 45 1.850 -10.590 -5.234 1.00 21.42 N ATOM 638 CA GLY A 45 3.047 -9.855 -5.619 1.00 32.43 C ATOM 639 C GLY A 45 2.801 -8.347 -5.606 1.00 43.33 C ATOM 640 O GLY A 45 3.630 -7.582 -6.109 1.00 2.52 O ATOM 0 H GLY A 45 1.741 -10.711 -4.227 1.00 21.42 H new ATOM 0 HA2 GLY A 45 3.861 -10.099 -4.936 1.00 32.43 H new ATOM 0 HA3 GLY A 45 3.362 -10.166 -6.615 1.00 32.43 H new ATOM 644 N PHE A 46 1.687 -7.903 -5.021 1.00 64.33 N ATOM 645 CA PHE A 46 1.473 -6.528 -4.623 1.00 14.13 C ATOM 646 C PHE A 46 0.693 -6.504 -3.311 1.00 74.23 C ATOM 647 O PHE A 46 0.047 -7.495 -2.948 1.00 52.32 O ATOM 648 CB PHE A 46 0.750 -5.745 -5.732 1.00 30.02 C ATOM 649 CG PHE A 46 -0.544 -6.362 -6.230 1.00 53.54 C ATOM 650 CD1 PHE A 46 -1.706 -6.349 -5.433 1.00 64.21 C ATOM 651 CD2 PHE A 46 -0.585 -6.955 -7.505 1.00 25.22 C ATOM 652 CE1 PHE A 46 -2.894 -6.934 -5.904 1.00 70.33 C ATOM 653 CE2 PHE A 46 -1.772 -7.541 -7.974 1.00 63.14 C ATOM 654 CZ PHE A 46 -2.931 -7.519 -7.180 1.00 63.43 C ATOM 0 H PHE A 46 0.896 -8.511 -4.810 1.00 64.33 H new ATOM 0 HA PHE A 46 2.434 -6.038 -4.466 1.00 14.13 H new ATOM 0 HB2 PHE A 46 0.536 -4.742 -5.364 1.00 30.02 H new ATOM 0 HB3 PHE A 46 1.429 -5.636 -6.578 1.00 30.02 H new ATOM 0 HD1 PHE A 46 -1.684 -5.888 -4.457 1.00 64.21 H new ATOM 0 HD2 PHE A 46 0.299 -6.960 -8.125 1.00 25.22 H new ATOM 0 HE1 PHE A 46 -3.779 -6.934 -5.284 1.00 70.33 H new ATOM 0 HE2 PHE A 46 -1.794 -8.009 -8.947 1.00 63.14 H new ATOM 0 HZ PHE A 46 -3.849 -7.951 -7.550 1.00 63.43 H new ATOM 663 N ALA A 47 0.708 -5.353 -2.645 1.00 31.14 N ATOM 664 CA ALA A 47 -0.019 -5.054 -1.418 1.00 3.12 C ATOM 665 C ALA A 47 -0.625 -3.659 -1.532 1.00 53.42 C ATOM 666 O ALA A 47 -0.321 -2.937 -2.484 1.00 21.24 O ATOM 667 CB ALA A 47 0.936 -5.140 -0.230 1.00 33.03 C ATOM 0 H ALA A 47 1.261 -4.559 -2.967 1.00 31.14 H new ATOM 0 HA ALA A 47 -0.822 -5.775 -1.265 1.00 3.12 H new ATOM 0 HB1 ALA A 47 0.394 -4.917 0.689 1.00 33.03 H new ATOM 0 HB2 ALA A 47 1.353 -6.145 -0.170 1.00 33.03 H new ATOM 0 HB3 ALA A 47 1.744 -4.419 -0.359 1.00 33.03 H new ATOM 673 N PHE A 48 -1.487 -3.300 -0.583 1.00 65.30 N ATOM 674 CA PHE A 48 -2.288 -2.085 -0.560 1.00 5.24 C ATOM 675 C PHE A 48 -2.233 -1.552 0.866 1.00 45.02 C ATOM 676 O PHE A 48 -2.979 -2.040 1.720 1.00 1.25 O ATOM 677 CB PHE A 48 -3.749 -2.395 -0.933 1.00 13.24 C ATOM 678 CG PHE A 48 -4.098 -2.458 -2.407 1.00 23.35 C ATOM 679 CD1 PHE A 48 -3.516 -3.414 -3.262 1.00 30.42 C ATOM 680 CD2 PHE A 48 -5.056 -1.563 -2.919 1.00 43.24 C ATOM 681 CE1 PHE A 48 -3.833 -3.419 -4.631 1.00 50.21 C ATOM 682 CE2 PHE A 48 -5.388 -1.583 -4.281 1.00 2.24 C ATOM 683 CZ PHE A 48 -4.763 -2.496 -5.141 1.00 65.33 C ATOM 0 H PHE A 48 -1.652 -3.885 0.236 1.00 65.30 H new ATOM 0 HA PHE A 48 -1.904 -1.359 -1.277 1.00 5.24 H new ATOM 0 HB2 PHE A 48 -4.015 -3.352 -0.483 1.00 13.24 H new ATOM 0 HB3 PHE A 48 -4.382 -1.638 -0.470 1.00 13.24 H new ATOM 0 HD1 PHE A 48 -2.826 -4.144 -2.865 1.00 30.42 H new ATOM 0 HD2 PHE A 48 -5.538 -0.857 -2.259 1.00 43.24 H new ATOM 0 HE1 PHE A 48 -3.362 -4.132 -5.292 1.00 50.21 H new ATOM 0 HE2 PHE A 48 -6.125 -0.895 -4.667 1.00 2.24 H new ATOM 0 HZ PHE A 48 -4.996 -2.491 -6.196 1.00 65.33 H new ATOM 692 N VAL A 49 -1.360 -0.585 1.140 1.00 32.22 N ATOM 693 CA VAL A 49 -1.371 0.109 2.424 1.00 5.41 C ATOM 694 C VAL A 49 -2.415 1.221 2.381 1.00 73.43 C ATOM 695 O VAL A 49 -2.623 1.796 1.318 1.00 71.52 O ATOM 696 CB VAL A 49 0.041 0.576 2.806 1.00 45.31 C ATOM 697 CG1 VAL A 49 0.792 1.566 1.958 1.00 13.15 C ATOM 698 CG2 VAL A 49 0.073 1.007 4.267 1.00 14.35 C ATOM 0 H VAL A 49 -0.639 -0.266 0.493 1.00 32.22 H new ATOM 0 HA VAL A 49 -1.666 -0.569 3.225 1.00 5.41 H new ATOM 0 HB VAL A 49 0.609 -0.330 2.598 1.00 45.31 H new ATOM 0 HG11 VAL A 49 1.768 1.761 2.404 1.00 13.15 H new ATOM 0 HG12 VAL A 49 0.926 1.159 0.956 1.00 13.15 H new ATOM 0 HG13 VAL A 49 0.228 2.497 1.899 1.00 13.15 H new ATOM 0 HG21 VAL A 49 1.079 1.336 4.527 1.00 14.35 H new ATOM 0 HG22 VAL A 49 -0.628 1.827 4.420 1.00 14.35 H new ATOM 0 HG23 VAL A 49 -0.209 0.166 4.901 1.00 14.35 H new ATOM 708 N GLU A 50 -3.083 1.525 3.495 1.00 25.33 N ATOM 709 CA GLU A 50 -4.037 2.619 3.628 1.00 5.41 C ATOM 710 C GLU A 50 -3.525 3.588 4.692 1.00 53.04 C ATOM 711 O GLU A 50 -3.118 3.146 5.765 1.00 71.52 O ATOM 712 CB GLU A 50 -5.420 2.069 4.036 1.00 50.02 C ATOM 713 CG GLU A 50 -6.518 2.632 3.128 1.00 14.11 C ATOM 714 CD GLU A 50 -7.862 2.897 3.821 1.00 43.03 C ATOM 715 OE1 GLU A 50 -8.316 2.118 4.689 1.00 74.43 O ATOM 716 OE2 GLU A 50 -8.502 3.918 3.460 1.00 74.11 O ATOM 0 H GLU A 50 -2.968 0.995 4.359 1.00 25.33 H new ATOM 0 HA GLU A 50 -4.140 3.137 2.674 1.00 5.41 H new ATOM 0 HB2 GLU A 50 -5.415 0.981 3.977 1.00 50.02 H new ATOM 0 HB3 GLU A 50 -5.629 2.331 5.073 1.00 50.02 H new ATOM 0 HG2 GLU A 50 -6.163 3.564 2.689 1.00 14.11 H new ATOM 0 HG3 GLU A 50 -6.682 1.935 2.306 1.00 14.11 H new ATOM 721 N PHE A 51 -3.527 4.893 4.415 1.00 0.35 N ATOM 722 CA PHE A 51 -3.001 5.935 5.304 1.00 72.40 C ATOM 723 C PHE A 51 -4.156 6.770 5.852 1.00 61.10 C ATOM 724 O PHE A 51 -5.159 6.956 5.165 1.00 2.25 O ATOM 725 CB PHE A 51 -2.041 6.842 4.509 1.00 33.22 C ATOM 726 CG PHE A 51 -0.678 6.272 4.160 1.00 33.54 C ATOM 727 CD1 PHE A 51 -0.361 4.903 4.263 1.00 21.53 C ATOM 728 CD2 PHE A 51 0.301 7.166 3.705 1.00 11.13 C ATOM 729 CE1 PHE A 51 0.907 4.445 3.890 1.00 71.44 C ATOM 730 CE2 PHE A 51 1.597 6.713 3.398 1.00 61.54 C ATOM 731 CZ PHE A 51 1.891 5.346 3.496 1.00 51.12 C ATOM 0 H PHE A 51 -3.904 5.266 3.544 1.00 0.35 H new ATOM 0 HA PHE A 51 -2.466 5.473 6.133 1.00 72.40 H new ATOM 0 HB2 PHE A 51 -2.536 7.126 3.581 1.00 33.22 H new ATOM 0 HB3 PHE A 51 -1.888 7.757 5.082 1.00 33.22 H new ATOM 0 HD1 PHE A 51 -1.099 4.205 4.631 1.00 21.53 H new ATOM 0 HD2 PHE A 51 0.058 8.212 3.589 1.00 11.13 H new ATOM 0 HE1 PHE A 51 1.123 3.387 3.908 1.00 71.44 H new ATOM 0 HE2 PHE A 51 2.359 7.413 3.089 1.00 61.54 H new ATOM 0 HZ PHE A 51 2.885 4.991 3.265 1.00 51.12 H new ATOM 740 N SER A 52 -4.000 7.357 7.043 1.00 62.20 N ATOM 741 CA SER A 52 -4.983 8.307 7.566 1.00 72.30 C ATOM 742 C SER A 52 -5.041 9.607 6.753 1.00 3.12 C ATOM 743 O SER A 52 -6.059 10.301 6.796 1.00 14.23 O ATOM 744 CB SER A 52 -4.670 8.632 9.031 1.00 53.22 C ATOM 745 OG SER A 52 -4.873 7.498 9.856 1.00 35.25 O ATOM 0 H SER A 52 -3.205 7.191 7.660 1.00 62.20 H new ATOM 0 HA SER A 52 -5.959 7.829 7.486 1.00 72.30 H new ATOM 0 HB2 SER A 52 -3.638 8.971 9.120 1.00 53.22 H new ATOM 0 HB3 SER A 52 -5.305 9.451 9.369 1.00 53.22 H new ATOM 0 HG SER A 52 -4.076 7.346 10.405 1.00 35.25 H new ATOM 750 N HIS A 53 -3.977 9.952 6.016 1.00 35.25 N ATOM 751 CA HIS A 53 -3.878 11.211 5.296 1.00 73.13 C ATOM 752 C HIS A 53 -3.291 10.988 3.915 1.00 22.53 C ATOM 753 O HIS A 53 -2.162 10.513 3.789 1.00 32.42 O ATOM 754 CB HIS A 53 -3.035 12.222 6.082 1.00 44.12 C ATOM 755 CG HIS A 53 -3.759 12.706 7.306 1.00 24.52 C ATOM 756 ND1 HIS A 53 -4.848 13.546 7.293 1.00 61.44 N ATOM 757 CD2 HIS A 53 -3.503 12.364 8.606 1.00 21.22 C ATOM 758 CE1 HIS A 53 -5.253 13.705 8.559 1.00 11.03 C ATOM 759 NE2 HIS A 53 -4.462 13.009 9.397 1.00 51.24 N ATOM 0 H HIS A 53 -3.158 9.354 5.907 1.00 35.25 H new ATOM 0 HA HIS A 53 -4.882 11.620 5.183 1.00 73.13 H new ATOM 0 HB2 HIS A 53 -2.091 11.762 6.374 1.00 44.12 H new ATOM 0 HB3 HIS A 53 -2.792 13.070 5.442 1.00 44.12 H new ATOM 0 HD2 HIS A 53 -2.711 11.719 8.956 1.00 21.22 H new ATOM 0 HE1 HIS A 53 -6.096 14.307 8.865 1.00 11.03 H new ATOM 0 HE2 HIS A 53 -4.545 12.961 10.412 1.00 51.24 H new ATOM 766 N LEU A 54 -4.015 11.442 2.893 1.00 13.04 N ATOM 767 CA LEU A 54 -3.512 11.601 1.532 1.00 75.41 C ATOM 768 C LEU A 54 -2.206 12.404 1.481 1.00 73.34 C ATOM 769 O LEU A 54 -1.355 12.127 0.645 1.00 43.34 O ATOM 770 CB LEU A 54 -4.610 12.213 0.636 1.00 2.31 C ATOM 771 CG LEU A 54 -5.032 13.656 1.010 1.00 21.24 C ATOM 772 CD1 LEU A 54 -4.292 14.716 0.182 1.00 30.12 C ATOM 773 CD2 LEU A 54 -6.539 13.851 0.806 1.00 3.05 C ATOM 0 H LEU A 54 -4.992 11.716 2.993 1.00 13.04 H new ATOM 0 HA LEU A 54 -3.263 10.613 1.144 1.00 75.41 H new ATOM 0 HB2 LEU A 54 -4.260 12.209 -0.396 1.00 2.31 H new ATOM 0 HB3 LEU A 54 -5.490 11.571 0.676 1.00 2.31 H new ATOM 0 HG LEU A 54 -4.769 13.787 2.060 1.00 21.24 H new ATOM 0 HD11 LEU A 54 -4.624 15.710 0.483 1.00 30.12 H new ATOM 0 HD12 LEU A 54 -3.219 14.625 0.350 1.00 30.12 H new ATOM 0 HD13 LEU A 54 -4.507 14.567 -0.876 1.00 30.12 H new ATOM 0 HD21 LEU A 54 -6.814 14.871 1.075 1.00 3.05 H new ATOM 0 HD22 LEU A 54 -6.791 13.671 -0.239 1.00 3.05 H new ATOM 0 HD23 LEU A 54 -7.085 13.150 1.437 1.00 3.05 H new ATOM 784 N GLN A 55 -2.006 13.358 2.398 1.00 40.23 N ATOM 785 CA GLN A 55 -0.756 14.106 2.506 1.00 35.13 C ATOM 786 C GLN A 55 0.422 13.168 2.764 1.00 23.51 C ATOM 787 O GLN A 55 1.520 13.403 2.255 1.00 72.40 O ATOM 788 CB GLN A 55 -0.895 15.160 3.622 1.00 62.52 C ATOM 789 CG GLN A 55 0.408 15.901 3.974 1.00 14.41 C ATOM 790 CD GLN A 55 1.137 15.293 5.176 1.00 40.13 C ATOM 791 OE1 GLN A 55 0.866 15.649 6.317 1.00 1.05 O ATOM 792 NE2 GLN A 55 2.076 14.393 4.947 1.00 72.52 N ATOM 0 H GLN A 55 -2.709 13.630 3.085 1.00 40.23 H new ATOM 0 HA GLN A 55 -0.555 14.615 1.563 1.00 35.13 H new ATOM 0 HB2 GLN A 55 -1.643 15.893 3.320 1.00 62.52 H new ATOM 0 HB3 GLN A 55 -1.273 14.671 4.520 1.00 62.52 H new ATOM 0 HG2 GLN A 55 1.072 15.888 3.109 1.00 14.41 H new ATOM 0 HG3 GLN A 55 0.180 16.946 4.185 1.00 14.41 H new ATOM 0 HE21 GLN A 55 2.288 14.109 3.991 1.00 72.52 H new ATOM 0 HE22 GLN A 55 2.589 13.982 5.727 1.00 72.52 H new ATOM 799 N ASP A 56 0.238 12.150 3.605 1.00 15.12 N ATOM 800 CA ASP A 56 1.322 11.249 3.975 1.00 61.34 C ATOM 801 C ASP A 56 1.611 10.284 2.829 1.00 40.34 C ATOM 802 O ASP A 56 2.741 9.813 2.724 1.00 33.51 O ATOM 803 CB ASP A 56 1.016 10.506 5.290 1.00 73.33 C ATOM 804 CG ASP A 56 1.620 11.146 6.550 1.00 24.31 C ATOM 805 OD1 ASP A 56 2.419 12.106 6.460 1.00 64.24 O ATOM 806 OD2 ASP A 56 1.322 10.613 7.643 1.00 12.03 O ATOM 0 H ASP A 56 -0.657 11.931 4.043 1.00 15.12 H new ATOM 0 HA ASP A 56 2.219 11.841 4.156 1.00 61.34 H new ATOM 0 HB2 ASP A 56 -0.065 10.446 5.413 1.00 73.33 H new ATOM 0 HB3 ASP A 56 1.385 9.484 5.207 1.00 73.33 H new ATOM 810 N ALA A 57 0.643 10.039 1.931 1.00 50.41 N ATOM 811 CA ALA A 57 0.834 9.178 0.776 1.00 12.05 C ATOM 812 C ALA A 57 1.926 9.812 -0.080 1.00 52.20 C ATOM 813 O ALA A 57 2.936 9.171 -0.375 1.00 21.24 O ATOM 814 CB ALA A 57 -0.486 8.970 0.029 1.00 5.02 C ATOM 0 H ALA A 57 -0.293 10.439 1.995 1.00 50.41 H new ATOM 0 HA ALA A 57 1.153 8.177 1.068 1.00 12.05 H new ATOM 0 HB1 ALA A 57 -0.319 8.322 -0.832 1.00 5.02 H new ATOM 0 HB2 ALA A 57 -1.213 8.506 0.696 1.00 5.02 H new ATOM 0 HB3 ALA A 57 -0.868 9.933 -0.310 1.00 5.02 H new ATOM 820 N THR A 58 1.784 11.105 -0.393 1.00 24.32 N ATOM 821 CA THR A 58 2.790 11.802 -1.171 1.00 22.33 C ATOM 822 C THR A 58 4.095 11.949 -0.401 1.00 50.50 C ATOM 823 O THR A 58 5.157 11.931 -1.019 1.00 73.32 O ATOM 824 CB THR A 58 2.318 13.189 -1.641 1.00 54.13 C ATOM 825 OG1 THR A 58 0.942 13.470 -1.427 1.00 70.11 O ATOM 826 CG2 THR A 58 2.592 13.263 -3.136 1.00 44.30 C ATOM 0 H THR A 58 0.986 11.678 -0.118 1.00 24.32 H new ATOM 0 HA THR A 58 2.961 11.183 -2.052 1.00 22.33 H new ATOM 0 HB THR A 58 2.860 13.926 -1.049 1.00 54.13 H new ATOM 0 HG1 THR A 58 0.737 14.370 -1.755 1.00 70.11 H new ATOM 0 HG21 THR A 58 2.272 14.233 -3.517 1.00 44.30 H new ATOM 0 HG22 THR A 58 3.659 13.136 -3.317 1.00 44.30 H new ATOM 0 HG23 THR A 58 2.041 12.473 -3.646 1.00 44.30 H new ATOM 834 N ARG A 59 4.038 12.089 0.929 1.00 74.54 N ATOM 835 CA ARG A 59 5.240 12.183 1.745 1.00 22.11 C ATOM 836 C ARG A 59 6.085 10.923 1.539 1.00 1.23 C ATOM 837 O ARG A 59 7.297 11.044 1.399 1.00 31.03 O ATOM 838 CB ARG A 59 4.861 12.441 3.215 1.00 73.23 C ATOM 839 CG ARG A 59 6.019 13.015 4.059 1.00 22.21 C ATOM 840 CD ARG A 59 5.801 14.468 4.490 1.00 40.22 C ATOM 841 NE ARG A 59 5.712 15.364 3.329 1.00 20.51 N ATOM 842 CZ ARG A 59 4.898 16.416 3.195 1.00 3.12 C ATOM 843 NH1 ARG A 59 4.113 16.826 4.186 1.00 13.04 N ATOM 844 NH2 ARG A 59 4.860 17.050 2.034 1.00 60.24 N ATOM 0 H ARG A 59 3.167 12.139 1.458 1.00 74.54 H new ATOM 0 HA ARG A 59 5.852 13.031 1.439 1.00 22.11 H new ATOM 0 HB2 ARG A 59 4.020 13.133 3.249 1.00 73.23 H new ATOM 0 HB3 ARG A 59 4.523 11.507 3.664 1.00 73.23 H new ATOM 0 HG2 ARG A 59 6.151 12.397 4.947 1.00 22.21 H new ATOM 0 HG3 ARG A 59 6.943 12.950 3.485 1.00 22.21 H new ATOM 0 HD2 ARG A 59 4.887 14.541 5.079 1.00 40.22 H new ATOM 0 HD3 ARG A 59 6.621 14.785 5.134 1.00 40.22 H new ATOM 0 HE ARG A 59 6.334 15.163 2.546 1.00 20.51 H new ATOM 0 HH11 ARG A 59 4.121 16.334 5.080 1.00 13.04 H new ATOM 0 HH12 ARG A 59 3.503 17.632 4.053 1.00 13.04 H new ATOM 0 HH21 ARG A 59 5.445 16.734 1.261 1.00 60.24 H new ATOM 0 HH22 ARG A 59 4.245 17.855 1.912 1.00 60.24 H new ATOM 855 N TRP A 60 5.472 9.735 1.480 1.00 72.22 N ATOM 856 CA TRP A 60 6.209 8.501 1.224 1.00 65.21 C ATOM 857 C TRP A 60 6.737 8.483 -0.203 1.00 25.44 C ATOM 858 O TRP A 60 7.925 8.228 -0.412 1.00 3.31 O ATOM 859 CB TRP A 60 5.342 7.260 1.521 1.00 44.32 C ATOM 860 CG TRP A 60 6.075 5.966 1.792 1.00 21.43 C ATOM 861 CD1 TRP A 60 7.321 5.836 2.311 1.00 11.22 C ATOM 862 CD2 TRP A 60 5.576 4.597 1.678 1.00 52.04 C ATOM 863 NE1 TRP A 60 7.617 4.507 2.537 1.00 54.43 N ATOM 864 CE2 TRP A 60 6.569 3.695 2.165 1.00 12.03 C ATOM 865 CE3 TRP A 60 4.353 4.029 1.264 1.00 23.24 C ATOM 866 CZ2 TRP A 60 6.350 2.311 2.241 1.00 25.45 C ATOM 867 CZ3 TRP A 60 4.132 2.638 1.314 1.00 54.41 C ATOM 868 CH2 TRP A 60 5.131 1.783 1.795 1.00 41.22 C ATOM 0 H TRP A 60 4.468 9.606 1.607 1.00 72.22 H new ATOM 0 HA TRP A 60 7.063 8.467 1.900 1.00 65.21 H new ATOM 0 HB2 TRP A 60 4.715 7.482 2.384 1.00 44.32 H new ATOM 0 HB3 TRP A 60 4.674 7.101 0.674 1.00 44.32 H new ATOM 0 HD1 TRP A 60 7.989 6.659 2.519 1.00 11.22 H new ATOM 0 HE1 TRP A 60 8.497 4.170 2.928 1.00 54.43 H new ATOM 0 HE3 TRP A 60 3.568 4.675 0.900 1.00 23.24 H new ATOM 0 HZ2 TRP A 60 7.113 1.659 2.639 1.00 25.45 H new ATOM 0 HZ3 TRP A 60 3.189 2.230 0.980 1.00 54.41 H new ATOM 0 HH2 TRP A 60 4.962 0.717 1.822 1.00 41.22 H new ATOM 878 N MET A 61 5.851 8.733 -1.174 1.00 45.13 N ATOM 879 CA MET A 61 6.153 8.584 -2.593 1.00 42.42 C ATOM 880 C MET A 61 7.295 9.517 -2.987 1.00 12.21 C ATOM 881 O MET A 61 8.298 9.047 -3.518 1.00 62.22 O ATOM 882 CB MET A 61 4.909 8.815 -3.469 1.00 2.34 C ATOM 883 CG MET A 61 3.694 7.952 -3.091 1.00 22.24 C ATOM 884 SD MET A 61 3.024 6.846 -4.366 1.00 61.21 S ATOM 885 CE MET A 61 2.642 8.029 -5.682 1.00 32.15 C ATOM 0 H MET A 61 4.898 9.047 -0.990 1.00 45.13 H new ATOM 0 HA MET A 61 6.471 7.556 -2.766 1.00 42.42 H new ATOM 0 HB2 MET A 61 4.626 9.866 -3.406 1.00 2.34 H new ATOM 0 HB3 MET A 61 5.170 8.617 -4.508 1.00 2.34 H new ATOM 0 HG2 MET A 61 3.968 7.344 -2.228 1.00 22.24 H new ATOM 0 HG3 MET A 61 2.894 8.619 -2.770 1.00 22.24 H new ATOM 0 HE1 MET A 61 1.573 8.005 -5.894 1.00 32.15 H new ATOM 0 HE2 MET A 61 2.926 9.032 -5.363 1.00 32.15 H new ATOM 0 HE3 MET A 61 3.197 7.764 -6.582 1.00 32.15 H new ATOM 893 N GLU A 62 7.176 10.819 -2.715 1.00 52.20 N ATOM 894 CA GLU A 62 8.184 11.807 -3.089 1.00 5.51 C ATOM 895 C GLU A 62 9.513 11.513 -2.409 1.00 1.24 C ATOM 896 O GLU A 62 10.556 11.653 -3.042 1.00 1.25 O ATOM 897 CB GLU A 62 7.736 13.226 -2.691 1.00 62.00 C ATOM 898 CG GLU A 62 6.697 13.801 -3.655 1.00 74.30 C ATOM 899 CD GLU A 62 7.251 13.984 -5.067 1.00 51.20 C ATOM 900 OE1 GLU A 62 8.422 14.397 -5.218 1.00 41.21 O ATOM 901 OE2 GLU A 62 6.486 13.746 -6.035 1.00 13.53 O ATOM 0 H GLU A 62 6.373 11.216 -2.227 1.00 52.20 H new ATOM 0 HA GLU A 62 8.305 11.749 -4.171 1.00 5.51 H new ATOM 0 HB2 GLU A 62 7.320 13.204 -1.684 1.00 62.00 H new ATOM 0 HB3 GLU A 62 8.605 13.884 -2.663 1.00 62.00 H new ATOM 0 HG2 GLU A 62 5.832 13.139 -3.690 1.00 74.30 H new ATOM 0 HG3 GLU A 62 6.348 14.762 -3.277 1.00 74.30 H new ATOM 906 N ALA A 63 9.491 11.114 -1.135 1.00 52.30 N ATOM 907 CA ALA A 63 10.709 10.942 -0.338 1.00 53.23 C ATOM 908 C ALA A 63 11.442 9.641 -0.656 1.00 33.33 C ATOM 909 O ALA A 63 12.485 9.347 -0.065 1.00 53.14 O ATOM 910 CB ALA A 63 10.393 11.032 1.161 1.00 73.02 C ATOM 0 H ALA A 63 8.632 10.902 -0.628 1.00 52.30 H new ATOM 0 HA ALA A 63 11.380 11.757 -0.609 1.00 53.23 H new ATOM 0 HB1 ALA A 63 11.311 10.902 1.735 1.00 73.02 H new ATOM 0 HB2 ALA A 63 9.961 12.008 1.384 1.00 73.02 H new ATOM 0 HB3 ALA A 63 9.682 10.251 1.431 1.00 73.02 H new ATOM 916 N ASN A 64 10.888 8.847 -1.567 1.00 11.55 N ATOM 917 CA ASN A 64 11.469 7.622 -2.077 1.00 71.10 C ATOM 918 C ASN A 64 11.468 7.637 -3.602 1.00 53.10 C ATOM 919 O ASN A 64 11.810 6.636 -4.226 1.00 32.34 O ATOM 920 CB ASN A 64 10.703 6.433 -1.489 1.00 12.11 C ATOM 921 CG ASN A 64 11.090 6.257 -0.031 1.00 51.43 C ATOM 922 OD1 ASN A 64 12.117 5.658 0.267 1.00 62.30 O ATOM 923 ND2 ASN A 64 10.319 6.812 0.891 1.00 64.40 N ATOM 0 H ASN A 64 9.981 9.055 -1.985 1.00 11.55 H new ATOM 0 HA ASN A 64 12.511 7.530 -1.772 1.00 71.10 H new ATOM 0 HB2 ASN A 64 9.629 6.600 -1.574 1.00 12.11 H new ATOM 0 HB3 ASN A 64 10.931 5.526 -2.049 1.00 12.11 H new ATOM 0 HD21 ASN A 64 10.575 6.747 1.876 1.00 64.40 H new ATOM 0 HD22 ASN A 64 9.469 7.305 0.616 1.00 64.40 H new ATOM 929 N GLN A 65 11.106 8.769 -4.219 1.00 5.33 N ATOM 930 CA GLN A 65 11.048 8.988 -5.656 1.00 4.34 C ATOM 931 C GLN A 65 10.275 7.876 -6.379 1.00 22.22 C ATOM 932 O GLN A 65 10.545 7.572 -7.541 1.00 10.42 O ATOM 933 CB GLN A 65 12.467 9.237 -6.188 1.00 5.54 C ATOM 934 CG GLN A 65 13.224 10.293 -5.353 1.00 64.10 C ATOM 935 CD GLN A 65 13.836 9.773 -4.046 1.00 73.04 C ATOM 936 OE1 GLN A 65 13.652 10.335 -2.970 1.00 52.22 O ATOM 937 NE2 GLN A 65 14.538 8.656 -4.079 1.00 12.55 N ATOM 0 H GLN A 65 10.832 9.598 -3.692 1.00 5.33 H new ATOM 0 HA GLN A 65 10.468 9.886 -5.871 1.00 4.34 H new ATOM 0 HB2 GLN A 65 13.026 8.301 -6.181 1.00 5.54 H new ATOM 0 HB3 GLN A 65 12.412 9.567 -7.225 1.00 5.54 H new ATOM 0 HG2 GLN A 65 14.020 10.716 -5.966 1.00 64.10 H new ATOM 0 HG3 GLN A 65 12.538 11.106 -5.116 1.00 64.10 H new ATOM 0 HE21 GLN A 65 14.698 8.180 -4.967 1.00 12.55 H new ATOM 0 HE22 GLN A 65 14.921 8.269 -3.217 1.00 12.55 H new ATOM 944 N HIS A 66 9.277 7.319 -5.682 1.00 10.42 N ATOM 945 CA HIS A 66 8.386 6.233 -6.087 1.00 4.33 C ATOM 946 C HIS A 66 9.026 4.818 -6.062 1.00 61.41 C ATOM 947 O HIS A 66 8.372 3.853 -6.469 1.00 71.34 O ATOM 948 CB HIS A 66 7.641 6.542 -7.406 1.00 3.33 C ATOM 949 CG HIS A 66 6.740 7.765 -7.427 1.00 33.43 C ATOM 950 ND1 HIS A 66 5.702 7.966 -8.314 1.00 1.34 N ATOM 951 CD2 HIS A 66 6.772 8.859 -6.598 1.00 61.43 C ATOM 952 CE1 HIS A 66 5.119 9.136 -8.005 1.00 34.12 C ATOM 953 NE2 HIS A 66 5.725 9.709 -6.956 1.00 63.31 N ATOM 0 H HIS A 66 9.056 7.647 -4.742 1.00 10.42 H new ATOM 0 HA HIS A 66 7.630 6.189 -5.303 1.00 4.33 H new ATOM 0 HB2 HIS A 66 8.385 6.657 -8.194 1.00 3.33 H new ATOM 0 HB3 HIS A 66 7.036 5.673 -7.663 1.00 3.33 H new ATOM 0 HD2 HIS A 66 7.485 9.032 -5.805 1.00 61.43 H new ATOM 0 HE1 HIS A 66 4.276 9.558 -8.531 1.00 34.12 H new ATOM 0 HE2 HIS A 66 5.472 10.590 -6.509 1.00 63.31 H new ATOM 960 N SER A 67 10.234 4.640 -5.518 1.00 62.22 N ATOM 961 CA SER A 67 11.066 3.440 -5.579 1.00 44.54 C ATOM 962 C SER A 67 11.520 3.050 -4.164 1.00 43.34 C ATOM 963 O SER A 67 12.110 3.866 -3.455 1.00 61.32 O ATOM 964 CB SER A 67 12.302 3.702 -6.471 1.00 53.44 C ATOM 965 OG SER A 67 12.665 5.081 -6.530 1.00 42.53 O ATOM 0 H SER A 67 10.685 5.385 -4.987 1.00 62.22 H new ATOM 0 HA SER A 67 10.484 2.624 -6.007 1.00 44.54 H new ATOM 0 HB2 SER A 67 13.146 3.126 -6.091 1.00 53.44 H new ATOM 0 HB3 SER A 67 12.098 3.342 -7.480 1.00 53.44 H new ATOM 0 HG SER A 67 12.550 5.488 -5.646 1.00 42.53 H new ATOM 970 N LEU A 68 11.257 1.806 -3.764 1.00 11.41 N ATOM 971 CA LEU A 68 11.681 1.188 -2.500 1.00 50.13 C ATOM 972 C LEU A 68 12.485 -0.085 -2.766 1.00 11.41 C ATOM 973 O LEU A 68 12.614 -0.525 -3.915 1.00 5.43 O ATOM 974 CB LEU A 68 10.480 0.853 -1.592 1.00 41.20 C ATOM 975 CG LEU A 68 9.702 2.036 -1.002 1.00 71.34 C ATOM 976 CD1 LEU A 68 8.638 1.531 -0.024 1.00 24.45 C ATOM 977 CD2 LEU A 68 10.596 3.000 -0.232 1.00 42.42 C ATOM 0 H LEU A 68 10.713 1.165 -4.342 1.00 11.41 H new ATOM 0 HA LEU A 68 12.307 1.916 -1.985 1.00 50.13 H new ATOM 0 HB2 LEU A 68 9.783 0.241 -2.164 1.00 41.20 H new ATOM 0 HB3 LEU A 68 10.840 0.239 -0.767 1.00 41.20 H new ATOM 0 HG LEU A 68 9.257 2.558 -1.849 1.00 71.34 H new ATOM 0 HD11 LEU A 68 8.092 2.379 0.389 1.00 24.45 H new ATOM 0 HD12 LEU A 68 7.945 0.873 -0.548 1.00 24.45 H new ATOM 0 HD13 LEU A 68 9.119 0.981 0.785 1.00 24.45 H new ATOM 0 HD21 LEU A 68 9.994 3.818 0.164 1.00 42.42 H new ATOM 0 HD22 LEU A 68 11.076 2.472 0.592 1.00 42.42 H new ATOM 0 HD23 LEU A 68 11.359 3.401 -0.900 1.00 42.42 H new ATOM 988 N ASN A 69 13.025 -0.684 -1.700 1.00 13.33 N ATOM 989 CA ASN A 69 13.918 -1.836 -1.728 1.00 21.11 C ATOM 990 C ASN A 69 13.567 -2.681 -0.503 1.00 31.24 C ATOM 991 O ASN A 69 14.052 -2.403 0.591 1.00 23.03 O ATOM 992 CB ASN A 69 15.376 -1.322 -1.678 1.00 13.14 C ATOM 993 CG ASN A 69 16.529 -2.287 -1.946 1.00 64.14 C ATOM 994 OD1 ASN A 69 17.355 -2.528 -1.071 1.00 73.21 O ATOM 995 ND2 ASN A 69 16.661 -2.890 -3.128 1.00 50.13 N ATOM 0 H ASN A 69 12.839 -0.360 -0.751 1.00 13.33 H new ATOM 0 HA ASN A 69 13.812 -2.439 -2.630 1.00 21.11 H new ATOM 0 HB2 ASN A 69 15.459 -0.508 -2.398 1.00 13.14 H new ATOM 0 HB3 ASN A 69 15.535 -0.891 -0.690 1.00 13.14 H new ATOM 0 HD21 ASN A 69 17.435 -3.535 -3.288 1.00 50.13 H new ATOM 0 HD22 ASN A 69 15.988 -2.707 -3.872 1.00 50.13 H new ATOM 1001 N ILE A 70 12.697 -3.680 -0.676 1.00 21.12 N ATOM 1002 CA ILE A 70 12.364 -4.651 0.351 1.00 31.03 C ATOM 1003 C ILE A 70 12.925 -6.025 -0.045 1.00 4.54 C ATOM 1004 O ILE A 70 12.606 -6.576 -1.107 1.00 4.33 O ATOM 1005 CB ILE A 70 10.842 -4.646 0.574 1.00 33.11 C ATOM 1006 CG1 ILE A 70 10.369 -3.258 1.063 1.00 13.15 C ATOM 1007 CG2 ILE A 70 10.457 -5.729 1.600 1.00 63.12 C ATOM 1008 CD1 ILE A 70 9.704 -2.413 -0.029 1.00 25.01 C ATOM 0 H ILE A 70 12.199 -3.833 -1.553 1.00 21.12 H new ATOM 0 HA ILE A 70 12.823 -4.392 1.305 1.00 31.03 H new ATOM 0 HB ILE A 70 10.351 -4.863 -0.375 1.00 33.11 H new ATOM 0 HG12 ILE A 70 9.665 -3.393 1.885 1.00 13.15 H new ATOM 0 HG13 ILE A 70 11.224 -2.712 1.462 1.00 13.15 H new ATOM 0 HG21 ILE A 70 9.378 -5.719 1.752 1.00 63.12 H new ATOM 0 HG22 ILE A 70 10.762 -6.707 1.228 1.00 63.12 H new ATOM 0 HG23 ILE A 70 10.959 -5.528 2.547 1.00 63.12 H new ATOM 0 HD11 ILE A 70 9.399 -1.454 0.389 1.00 25.01 H new ATOM 0 HD12 ILE A 70 10.411 -2.246 -0.841 1.00 25.01 H new ATOM 0 HD13 ILE A 70 8.828 -2.937 -0.412 1.00 25.01 H new ATOM 1019 N LEU A 71 13.740 -6.587 0.854 1.00 10.21 N ATOM 1020 CA LEU A 71 14.352 -7.917 0.814 1.00 33.23 C ATOM 1021 C LEU A 71 15.226 -8.144 -0.427 1.00 2.51 C ATOM 1022 O LEU A 71 15.493 -9.294 -0.782 1.00 53.40 O ATOM 1023 CB LEU A 71 13.315 -9.047 1.030 1.00 10.34 C ATOM 1024 CG LEU A 71 12.439 -8.962 2.297 1.00 44.53 C ATOM 1025 CD1 LEU A 71 11.668 -10.271 2.477 1.00 42.10 C ATOM 1026 CD2 LEU A 71 13.244 -8.661 3.557 1.00 53.43 C ATOM 0 H LEU A 71 14.010 -6.081 1.697 1.00 10.21 H new ATOM 0 HA LEU A 71 15.036 -7.957 1.662 1.00 33.23 H new ATOM 0 HB2 LEU A 71 12.655 -9.071 0.163 1.00 10.34 H new ATOM 0 HB3 LEU A 71 13.849 -9.997 1.051 1.00 10.34 H new ATOM 0 HG LEU A 71 11.749 -8.130 2.154 1.00 44.53 H new ATOM 0 HD11 LEU A 71 11.050 -10.209 3.373 1.00 42.10 H new ATOM 0 HD12 LEU A 71 11.032 -10.441 1.608 1.00 42.10 H new ATOM 0 HD13 LEU A 71 12.372 -11.097 2.579 1.00 42.10 H new ATOM 0 HD21 LEU A 71 12.573 -8.613 4.415 1.00 53.43 H new ATOM 0 HD22 LEU A 71 13.980 -9.449 3.715 1.00 53.43 H new ATOM 0 HD23 LEU A 71 13.755 -7.705 3.443 1.00 53.43 H new ATOM 1037 N GLY A 72 15.686 -7.075 -1.076 1.00 4.42 N ATOM 1038 CA GLY A 72 16.569 -7.095 -2.239 1.00 71.00 C ATOM 1039 C GLY A 72 15.880 -6.935 -3.601 1.00 13.11 C ATOM 1040 O GLY A 72 16.579 -6.801 -4.606 1.00 54.53 O ATOM 0 H GLY A 72 15.441 -6.127 -0.791 1.00 4.42 H new ATOM 0 HA2 GLY A 72 17.303 -6.297 -2.128 1.00 71.00 H new ATOM 0 HA3 GLY A 72 17.118 -8.036 -2.239 1.00 71.00 H new ATOM 1044 N GLN A 73 14.544 -6.887 -3.669 1.00 2.45 N ATOM 1045 CA GLN A 73 13.783 -6.607 -4.876 1.00 74.43 C ATOM 1046 C GLN A 73 13.602 -5.093 -5.009 1.00 23.33 C ATOM 1047 O GLN A 73 13.492 -4.391 -4.001 1.00 52.30 O ATOM 1048 CB GLN A 73 12.407 -7.281 -4.752 1.00 54.52 C ATOM 1049 CG GLN A 73 12.422 -8.801 -4.989 1.00 52.21 C ATOM 1050 CD GLN A 73 13.170 -9.641 -3.951 1.00 31.13 C ATOM 1051 OE1 GLN A 73 13.714 -10.696 -4.265 1.00 10.43 O ATOM 1052 NE2 GLN A 73 13.129 -9.280 -2.678 1.00 5.42 N ATOM 0 H GLN A 73 13.951 -7.048 -2.855 1.00 2.45 H new ATOM 0 HA GLN A 73 14.305 -6.989 -5.754 1.00 74.43 H new ATOM 0 HB2 GLN A 73 12.008 -7.084 -3.757 1.00 54.52 H new ATOM 0 HB3 GLN A 73 11.724 -6.821 -5.466 1.00 54.52 H new ATOM 0 HG2 GLN A 73 11.391 -9.151 -5.033 1.00 52.21 H new ATOM 0 HG3 GLN A 73 12.865 -8.991 -5.967 1.00 52.21 H new ATOM 0 HE21 GLN A 73 12.679 -8.405 -2.410 1.00 5.42 H new ATOM 0 HE22 GLN A 73 13.548 -9.877 -1.965 1.00 5.42 H new ATOM 1059 N LYS A 74 13.530 -4.572 -6.233 1.00 23.15 N ATOM 1060 CA LYS A 74 13.091 -3.209 -6.509 1.00 34.14 C ATOM 1061 C LYS A 74 11.573 -3.197 -6.452 1.00 64.41 C ATOM 1062 O LYS A 74 10.948 -4.089 -7.022 1.00 10.55 O ATOM 1063 CB LYS A 74 13.589 -2.801 -7.903 1.00 1.51 C ATOM 1064 CG LYS A 74 13.658 -1.280 -8.111 1.00 30.12 C ATOM 1065 CD LYS A 74 14.833 -0.893 -9.028 1.00 11.53 C ATOM 1066 CE LYS A 74 16.151 -1.233 -8.311 1.00 63.44 C ATOM 1067 NZ LYS A 74 17.333 -0.531 -8.842 1.00 73.04 N ATOM 0 H LYS A 74 13.779 -5.095 -7.072 1.00 23.15 H new ATOM 0 HA LYS A 74 13.491 -2.503 -5.781 1.00 34.14 H new ATOM 0 HB2 LYS A 74 14.579 -3.227 -8.065 1.00 1.51 H new ATOM 0 HB3 LYS A 74 12.930 -3.233 -8.656 1.00 1.51 H new ATOM 0 HG2 LYS A 74 12.723 -0.928 -8.546 1.00 30.12 H new ATOM 0 HG3 LYS A 74 13.768 -0.784 -7.147 1.00 30.12 H new ATOM 0 HD2 LYS A 74 14.768 -1.431 -9.974 1.00 11.53 H new ATOM 0 HD3 LYS A 74 14.794 0.171 -9.263 1.00 11.53 H new ATOM 0 HE2 LYS A 74 16.047 -0.994 -7.253 1.00 63.44 H new ATOM 0 HE3 LYS A 74 16.321 -2.308 -8.380 1.00 63.44 H new ATOM 0 HZ1 LYS A 74 18.177 -0.816 -8.305 1.00 73.04 H new ATOM 0 HZ2 LYS A 74 17.462 -0.777 -9.844 1.00 73.04 H new ATOM 0 HZ3 LYS A 74 17.196 0.496 -8.752 1.00 73.04 H new ATOM 1077 N VAL A 75 10.988 -2.205 -5.794 1.00 52.31 N ATOM 1078 CA VAL A 75 9.555 -2.152 -5.535 1.00 65.20 C ATOM 1079 C VAL A 75 9.052 -0.768 -5.954 1.00 24.33 C ATOM 1080 O VAL A 75 9.746 0.230 -5.721 1.00 11.45 O ATOM 1081 CB VAL A 75 9.299 -2.473 -4.047 1.00 31.03 C ATOM 1082 CG1 VAL A 75 7.813 -2.741 -3.801 1.00 54.22 C ATOM 1083 CG2 VAL A 75 10.074 -3.703 -3.536 1.00 44.51 C ATOM 0 H VAL A 75 11.500 -1.406 -5.421 1.00 52.31 H new ATOM 0 HA VAL A 75 9.004 -2.895 -6.112 1.00 65.20 H new ATOM 0 HB VAL A 75 9.647 -1.593 -3.505 1.00 31.03 H new ATOM 0 HG11 VAL A 75 7.653 -2.965 -2.746 1.00 54.22 H new ATOM 0 HG12 VAL A 75 7.234 -1.860 -4.076 1.00 54.22 H new ATOM 0 HG13 VAL A 75 7.491 -3.589 -4.405 1.00 54.22 H new ATOM 0 HG21 VAL A 75 9.844 -3.866 -2.483 1.00 44.51 H new ATOM 0 HG22 VAL A 75 9.783 -4.582 -4.112 1.00 44.51 H new ATOM 0 HG23 VAL A 75 11.144 -3.532 -3.651 1.00 44.51 H new ATOM 1093 N SER A 76 7.854 -0.676 -6.539 1.00 5.33 N ATOM 1094 CA SER A 76 7.263 0.577 -7.005 1.00 3.44 C ATOM 1095 C SER A 76 5.990 0.898 -6.217 1.00 10.33 C ATOM 1096 O SER A 76 5.196 0.001 -5.931 1.00 54.42 O ATOM 1097 CB SER A 76 6.997 0.488 -8.510 1.00 1.41 C ATOM 1098 OG SER A 76 6.168 -0.608 -8.855 1.00 10.45 O ATOM 0 H SER A 76 7.258 -1.487 -6.704 1.00 5.33 H new ATOM 0 HA SER A 76 7.961 1.396 -6.831 1.00 3.44 H new ATOM 0 HB2 SER A 76 6.529 1.413 -8.847 1.00 1.41 H new ATOM 0 HB3 SER A 76 7.947 0.400 -9.038 1.00 1.41 H new ATOM 0 HG SER A 76 5.276 -0.281 -9.096 1.00 10.45 H new ATOM 1103 N MET A 77 5.769 2.178 -5.904 1.00 10.13 N ATOM 1104 CA MET A 77 4.586 2.645 -5.174 1.00 32.31 C ATOM 1105 C MET A 77 3.654 3.421 -6.101 1.00 43.50 C ATOM 1106 O MET A 77 4.134 4.197 -6.930 1.00 52.52 O ATOM 1107 CB MET A 77 4.974 3.484 -3.947 1.00 13.11 C ATOM 1108 CG MET A 77 5.967 4.618 -4.207 1.00 14.54 C ATOM 1109 SD MET A 77 7.386 4.721 -3.076 1.00 11.12 S ATOM 1110 CE MET A 77 6.553 5.074 -1.511 1.00 50.34 C ATOM 0 H MET A 77 6.414 2.928 -6.153 1.00 10.13 H new ATOM 0 HA MET A 77 4.051 1.768 -4.809 1.00 32.31 H new ATOM 0 HB2 MET A 77 4.067 3.911 -3.520 1.00 13.11 H new ATOM 0 HB3 MET A 77 5.398 2.819 -3.195 1.00 13.11 H new ATOM 0 HG2 MET A 77 6.347 4.514 -5.223 1.00 14.54 H new ATOM 0 HG3 MET A 77 5.426 5.563 -4.164 1.00 14.54 H new ATOM 0 HE1 MET A 77 7.223 5.636 -0.861 1.00 50.34 H new ATOM 0 HE2 MET A 77 5.655 5.661 -1.701 1.00 50.34 H new ATOM 0 HE3 MET A 77 6.278 4.137 -1.026 1.00 50.34 H new ATOM 1118 N HIS A 78 2.339 3.227 -5.967 1.00 51.54 N ATOM 1119 CA HIS A 78 1.319 3.827 -6.826 1.00 3.41 C ATOM 1120 C HIS A 78 0.071 4.197 -6.018 1.00 10.55 C ATOM 1121 O HIS A 78 -0.239 3.545 -5.020 1.00 74.20 O ATOM 1122 CB HIS A 78 0.915 2.825 -7.916 1.00 11.12 C ATOM 1123 CG HIS A 78 2.050 2.275 -8.744 1.00 24.15 C ATOM 1124 ND1 HIS A 78 2.586 2.858 -9.870 1.00 54.51 N ATOM 1125 CD2 HIS A 78 2.717 1.100 -8.518 1.00 3.32 C ATOM 1126 CE1 HIS A 78 3.547 2.039 -10.330 1.00 65.30 C ATOM 1127 NE2 HIS A 78 3.671 0.958 -9.535 1.00 13.51 N ATOM 0 H HIS A 78 1.946 2.632 -5.238 1.00 51.54 H new ATOM 0 HA HIS A 78 1.737 4.730 -7.271 1.00 3.41 H new ATOM 0 HB2 HIS A 78 0.395 1.991 -7.444 1.00 11.12 H new ATOM 0 HB3 HIS A 78 0.202 3.309 -8.584 1.00 11.12 H new ATOM 0 HD1 HIS A 78 2.305 3.749 -10.280 1.00 54.51 H new ATOM 0 HD2 HIS A 78 2.540 0.410 -7.706 1.00 3.32 H new ATOM 0 HE1 HIS A 78 4.138 2.222 -11.215 1.00 65.30 H new ATOM 1134 N TYR A 79 -0.686 5.195 -6.478 1.00 42.10 N ATOM 1135 CA TYR A 79 -1.951 5.628 -5.891 1.00 24.03 C ATOM 1136 C TYR A 79 -3.098 4.767 -6.415 1.00 30.15 C ATOM 1137 O TYR A 79 -3.860 5.185 -7.290 1.00 4.51 O ATOM 1138 CB TYR A 79 -2.189 7.114 -6.209 1.00 65.03 C ATOM 1139 CG TYR A 79 -1.480 8.134 -5.340 1.00 63.12 C ATOM 1140 CD1 TYR A 79 -0.579 7.759 -4.322 1.00 72.01 C ATOM 1141 CD2 TYR A 79 -1.806 9.492 -5.515 1.00 1.31 C ATOM 1142 CE1 TYR A 79 -0.032 8.734 -3.478 1.00 74.33 C ATOM 1143 CE2 TYR A 79 -1.275 10.471 -4.659 1.00 73.41 C ATOM 1144 CZ TYR A 79 -0.398 10.085 -3.626 1.00 32.21 C ATOM 1145 OH TYR A 79 0.102 10.992 -2.760 1.00 5.24 O ATOM 0 H TYR A 79 -0.424 5.742 -7.298 1.00 42.10 H new ATOM 0 HA TYR A 79 -1.906 5.508 -4.809 1.00 24.03 H new ATOM 0 HB2 TYR A 79 -1.894 7.289 -7.244 1.00 65.03 H new ATOM 0 HB3 TYR A 79 -3.260 7.305 -6.147 1.00 65.03 H new ATOM 0 HD1 TYR A 79 -0.311 6.721 -4.193 1.00 72.01 H new ATOM 0 HD2 TYR A 79 -2.470 9.784 -6.315 1.00 1.31 H new ATOM 0 HE1 TYR A 79 0.673 8.448 -2.711 1.00 74.33 H new ATOM 0 HE2 TYR A 79 -1.537 11.510 -4.791 1.00 73.41 H new ATOM 0 HH TYR A 79 -0.238 11.883 -2.987 1.00 5.24 H new ATOM 1154 N SER A 80 -3.238 3.558 -5.886 1.00 23.43 N ATOM 1155 CA SER A 80 -4.363 2.690 -6.195 1.00 14.34 C ATOM 1156 C SER A 80 -5.530 3.080 -5.285 1.00 1.34 C ATOM 1157 O SER A 80 -5.838 2.361 -4.342 1.00 71.22 O ATOM 1158 CB SER A 80 -3.930 1.243 -5.990 1.00 41.10 C ATOM 1159 OG SER A 80 -4.736 0.378 -6.765 1.00 1.14 O ATOM 0 H SER A 80 -2.572 3.152 -5.229 1.00 23.43 H new ATOM 0 HA SER A 80 -4.687 2.797 -7.230 1.00 14.34 H new ATOM 0 HB2 SER A 80 -2.883 1.126 -6.271 1.00 41.10 H new ATOM 0 HB3 SER A 80 -4.009 0.978 -4.936 1.00 41.10 H new ATOM 0 HG SER A 80 -4.956 -0.421 -6.241 1.00 1.14 H new ATOM 1164 N ASP A 81 -6.136 4.242 -5.513 1.00 2.43 N ATOM 1165 CA ASP A 81 -7.090 4.820 -4.571 1.00 25.02 C ATOM 1166 C ASP A 81 -8.335 3.943 -4.367 1.00 32.11 C ATOM 1167 O ASP A 81 -8.604 3.041 -5.170 1.00 53.20 O ATOM 1168 CB ASP A 81 -7.466 6.240 -4.995 1.00 30.02 C ATOM 1169 CG ASP A 81 -8.862 6.373 -5.612 1.00 73.02 C ATOM 1170 OD1 ASP A 81 -9.049 5.991 -6.782 1.00 63.40 O ATOM 1171 OD2 ASP A 81 -9.724 6.993 -4.947 1.00 41.43 O ATOM 0 H ASP A 81 -5.981 4.806 -6.349 1.00 2.43 H new ATOM 0 HA ASP A 81 -6.595 4.867 -3.601 1.00 25.02 H new ATOM 0 HB2 ASP A 81 -7.404 6.893 -4.125 1.00 30.02 H new ATOM 0 HB3 ASP A 81 -6.729 6.597 -5.715 1.00 30.02 H new ATOM 1175 N PRO A 82 -9.116 4.181 -3.297 1.00 34.23 N ATOM 1176 CA PRO A 82 -10.225 3.312 -2.964 1.00 62.41 C ATOM 1177 C PRO A 82 -11.446 3.527 -3.854 1.00 21.33 C ATOM 1178 O PRO A 82 -12.248 2.601 -3.979 1.00 30.21 O ATOM 1179 CB PRO A 82 -10.576 3.644 -1.517 1.00 21.31 C ATOM 1180 CG PRO A 82 -10.219 5.118 -1.416 1.00 2.31 C ATOM 1181 CD PRO A 82 -8.957 5.200 -2.266 1.00 4.11 C ATOM 0 HA PRO A 82 -9.938 2.271 -3.111 1.00 62.41 H new ATOM 0 HB2 PRO A 82 -11.631 3.467 -1.305 1.00 21.31 H new ATOM 0 HB3 PRO A 82 -10.004 3.040 -0.813 1.00 21.31 H new ATOM 0 HG2 PRO A 82 -11.013 5.757 -1.803 1.00 2.31 H new ATOM 0 HG3 PRO A 82 -10.037 5.424 -0.386 1.00 2.31 H new ATOM 0 HD2 PRO A 82 -8.844 6.190 -2.707 1.00 4.11 H new ATOM 0 HD3 PRO A 82 -8.066 5.015 -1.665 1.00 4.11 H new ATOM 1186 N LYS A 83 -11.577 4.733 -4.430 1.00 61.20 N ATOM 1187 CA LYS A 83 -12.683 5.278 -5.219 1.00 22.41 C ATOM 1188 C LYS A 83 -14.055 5.221 -4.546 1.00 51.31 C ATOM 1189 O LYS A 83 -14.223 4.561 -3.517 1.00 5.34 O ATOM 1190 CB LYS A 83 -12.648 4.684 -6.646 1.00 13.45 C ATOM 1191 CG LYS A 83 -13.122 3.235 -6.798 1.00 24.12 C ATOM 1192 CD LYS A 83 -13.505 2.959 -8.252 1.00 74.14 C ATOM 1193 CE LYS A 83 -13.891 1.492 -8.422 1.00 11.43 C ATOM 1194 NZ LYS A 83 -14.486 1.237 -9.747 1.00 33.10 N ATOM 0 H LYS A 83 -10.828 5.420 -4.342 1.00 61.20 H new ATOM 0 HA LYS A 83 -12.522 6.353 -5.295 1.00 22.41 H new ATOM 0 HB2 LYS A 83 -13.261 5.313 -7.292 1.00 13.45 H new ATOM 0 HB3 LYS A 83 -11.625 4.748 -7.017 1.00 13.45 H new ATOM 0 HG2 LYS A 83 -12.333 2.551 -6.485 1.00 24.12 H new ATOM 0 HG3 LYS A 83 -13.978 3.054 -6.147 1.00 24.12 H new ATOM 0 HD2 LYS A 83 -14.338 3.599 -8.545 1.00 74.14 H new ATOM 0 HD3 LYS A 83 -12.670 3.202 -8.909 1.00 74.14 H new ATOM 0 HE2 LYS A 83 -13.008 0.866 -8.292 1.00 11.43 H new ATOM 0 HE3 LYS A 83 -14.600 1.209 -7.644 1.00 11.43 H new ATOM 0 HZ1 LYS A 83 -14.736 0.231 -9.827 1.00 33.10 H new ATOM 0 HZ2 LYS A 83 -15.342 1.817 -9.861 1.00 33.10 H new ATOM 0 HZ3 LYS A 83 -13.800 1.484 -10.489 1.00 33.10 H new ATOM 1204 N PRO A 84 -15.057 5.947 -5.065 1.00 30.43 N ATOM 1205 CA PRO A 84 -16.436 5.624 -4.783 1.00 65.32 C ATOM 1206 C PRO A 84 -16.736 4.283 -5.451 1.00 34.40 C ATOM 1207 O PRO A 84 -16.819 4.183 -6.673 1.00 61.05 O ATOM 1208 CB PRO A 84 -17.269 6.777 -5.330 1.00 41.40 C ATOM 1209 CG PRO A 84 -16.409 7.326 -6.470 1.00 12.35 C ATOM 1210 CD PRO A 84 -14.988 7.083 -5.972 1.00 50.14 C ATOM 0 HA PRO A 84 -16.663 5.514 -3.723 1.00 65.32 H new ATOM 0 HB2 PRO A 84 -18.241 6.436 -5.688 1.00 41.40 H new ATOM 0 HB3 PRO A 84 -17.457 7.534 -4.568 1.00 41.40 H new ATOM 0 HG2 PRO A 84 -16.603 6.806 -7.408 1.00 12.35 H new ATOM 0 HG3 PRO A 84 -16.600 8.385 -6.646 1.00 12.35 H new ATOM 0 HD2 PRO A 84 -14.316 6.875 -6.804 1.00 50.14 H new ATOM 0 HD3 PRO A 84 -14.600 7.964 -5.461 1.00 50.14 H new ATOM 1215 N LYS A 85 -16.825 3.229 -4.643 1.00 71.24 N ATOM 1216 CA LYS A 85 -17.112 1.862 -5.081 1.00 5.14 C ATOM 1217 C LYS A 85 -18.481 1.398 -4.571 1.00 5.13 C ATOM 1218 O LYS A 85 -18.751 0.202 -4.430 1.00 52.12 O ATOM 1219 CB LYS A 85 -15.932 0.971 -4.654 1.00 1.31 C ATOM 1220 CG LYS A 85 -15.794 -0.270 -5.537 1.00 23.11 C ATOM 1221 CD LYS A 85 -14.433 -0.952 -5.367 1.00 24.24 C ATOM 1222 CE LYS A 85 -14.382 -2.185 -6.275 1.00 30.11 C ATOM 1223 NZ LYS A 85 -13.023 -2.757 -6.394 1.00 54.32 N ATOM 0 H LYS A 85 -16.696 3.303 -3.634 1.00 71.24 H new ATOM 0 HA LYS A 85 -17.195 1.800 -6.166 1.00 5.14 H new ATOM 0 HB2 LYS A 85 -15.009 1.549 -4.696 1.00 1.31 H new ATOM 0 HB3 LYS A 85 -16.068 0.663 -3.617 1.00 1.31 H new ATOM 0 HG2 LYS A 85 -16.586 -0.978 -5.293 1.00 23.11 H new ATOM 0 HG3 LYS A 85 -15.929 0.012 -6.581 1.00 23.11 H new ATOM 0 HD2 LYS A 85 -13.630 -0.261 -5.623 1.00 24.24 H new ATOM 0 HD3 LYS A 85 -14.284 -1.243 -4.327 1.00 24.24 H new ATOM 0 HE2 LYS A 85 -15.058 -2.946 -5.884 1.00 30.11 H new ATOM 0 HE3 LYS A 85 -14.745 -1.915 -7.267 1.00 30.11 H new ATOM 0 HZ1 LYS A 85 -13.049 -3.588 -7.019 1.00 54.32 H new ATOM 0 HZ2 LYS A 85 -12.380 -2.044 -6.793 1.00 54.32 H new ATOM 0 HZ3 LYS A 85 -12.683 -3.043 -5.454 1.00 54.32 H new ATOM 1233 N ILE A 86 -19.349 2.348 -4.239 1.00 52.23 N ATOM 1234 CA ILE A 86 -20.686 2.090 -3.732 1.00 12.20 C ATOM 1235 C ILE A 86 -21.544 1.579 -4.891 1.00 53.33 C ATOM 1236 O ILE A 86 -21.385 1.994 -6.046 1.00 25.31 O ATOM 1237 CB ILE A 86 -21.286 3.343 -3.049 1.00 33.13 C ATOM 1238 CG1 ILE A 86 -20.281 4.044 -2.099 1.00 74.14 C ATOM 1239 CG2 ILE A 86 -22.547 2.962 -2.251 1.00 52.01 C ATOM 1240 CD1 ILE A 86 -19.527 5.201 -2.771 1.00 74.14 C ATOM 0 H ILE A 86 -19.134 3.342 -4.318 1.00 52.23 H new ATOM 0 HA ILE A 86 -20.653 1.327 -2.954 1.00 12.20 H new ATOM 0 HB ILE A 86 -21.537 4.042 -3.847 1.00 33.13 H new ATOM 0 HG12 ILE A 86 -20.816 4.423 -1.229 1.00 74.14 H new ATOM 0 HG13 ILE A 86 -19.561 3.311 -1.736 1.00 74.14 H new ATOM 0 HG21 ILE A 86 -22.959 3.852 -1.775 1.00 52.01 H new ATOM 0 HG22 ILE A 86 -23.289 2.534 -2.925 1.00 52.01 H new ATOM 0 HG23 ILE A 86 -22.286 2.230 -1.487 1.00 52.01 H new ATOM 0 HD11 ILE A 86 -18.839 5.651 -2.055 1.00 74.14 H new ATOM 0 HD12 ILE A 86 -18.966 4.822 -3.625 1.00 74.14 H new ATOM 0 HD13 ILE A 86 -20.241 5.952 -3.110 1.00 74.14 H new ATOM 1251 N ASN A 87 -22.453 0.654 -4.585 1.00 2.34 N ATOM 1252 CA ASN A 87 -23.477 0.234 -5.521 1.00 31.33 C ATOM 1253 C ASN A 87 -24.474 1.387 -5.665 1.00 2.54 C ATOM 1254 O ASN A 87 -25.118 1.786 -4.703 1.00 43.01 O ATOM 1255 CB ASN A 87 -24.081 -1.126 -5.135 1.00 2.20 C ATOM 1256 CG ASN A 87 -25.172 -1.136 -4.068 1.00 70.12 C ATOM 1257 OD1 ASN A 87 -26.291 -1.536 -4.365 1.00 42.04 O ATOM 1258 ND2 ASN A 87 -24.885 -0.855 -2.806 1.00 70.55 N ATOM 0 H ASN A 87 -22.494 0.180 -3.683 1.00 2.34 H new ATOM 0 HA ASN A 87 -23.061 0.039 -6.510 1.00 31.33 H new ATOM 0 HB2 ASN A 87 -24.489 -1.581 -6.038 1.00 2.20 H new ATOM 0 HB3 ASN A 87 -23.270 -1.769 -4.793 1.00 2.20 H new ATOM 0 HD21 ASN A 87 -25.595 -0.972 -2.083 1.00 70.55 H new ATOM 0 HD22 ASN A 87 -23.954 -0.522 -2.557 1.00 70.55 H new ATOM 1264 N GLU A 88 -24.512 1.957 -6.867 1.00 72.01 N ATOM 1265 CA GLU A 88 -25.351 3.058 -7.331 1.00 25.04 C ATOM 1266 C GLU A 88 -25.425 4.242 -6.365 1.00 14.12 C ATOM 1267 O GLU A 88 -26.477 4.594 -5.847 1.00 52.03 O ATOM 1268 CB GLU A 88 -26.715 2.526 -7.780 1.00 4.42 C ATOM 1269 CG GLU A 88 -26.655 1.855 -9.157 1.00 33.01 C ATOM 1270 CD GLU A 88 -25.771 0.609 -9.175 1.00 52.55 C ATOM 1271 OE1 GLU A 88 -24.534 0.735 -9.378 1.00 5.32 O ATOM 1272 OE2 GLU A 88 -26.302 -0.510 -9.001 1.00 12.12 O ATOM 0 H GLU A 88 -23.897 1.628 -7.611 1.00 72.01 H new ATOM 0 HA GLU A 88 -24.866 3.494 -8.204 1.00 25.04 H new ATOM 0 HB2 GLU A 88 -27.083 1.810 -7.045 1.00 4.42 H new ATOM 0 HB3 GLU A 88 -27.431 3.348 -7.810 1.00 4.42 H new ATOM 0 HG2 GLU A 88 -27.664 1.583 -9.467 1.00 33.01 H new ATOM 0 HG3 GLU A 88 -26.279 2.571 -9.888 1.00 33.01 H new ATOM 1277 N ASP A 89 -24.289 4.919 -6.213 1.00 3.33 N ATOM 1278 CA ASP A 89 -24.144 6.152 -5.430 1.00 62.14 C ATOM 1279 C ASP A 89 -24.976 7.326 -5.966 1.00 71.33 C ATOM 1280 O ASP A 89 -25.289 8.243 -5.213 1.00 65.24 O ATOM 1281 CB ASP A 89 -22.662 6.556 -5.432 1.00 53.43 C ATOM 1282 CG ASP A 89 -22.407 7.955 -4.865 1.00 43.01 C ATOM 1283 OD1 ASP A 89 -22.759 8.234 -3.700 1.00 3.10 O ATOM 1284 OD2 ASP A 89 -21.758 8.744 -5.593 1.00 50.45 O ATOM 0 H ASP A 89 -23.415 4.618 -6.643 1.00 3.33 H new ATOM 0 HA ASP A 89 -24.512 5.939 -4.426 1.00 62.14 H new ATOM 0 HB2 ASP A 89 -22.095 5.829 -4.851 1.00 53.43 H new ATOM 0 HB3 ASP A 89 -22.284 6.513 -6.453 1.00 53.43 H new ATOM 1288 N TRP A 90 -25.318 7.340 -7.258 1.00 22.23 N ATOM 1289 CA TRP A 90 -25.998 8.466 -7.900 1.00 52.41 C ATOM 1290 C TRP A 90 -27.473 8.192 -8.195 1.00 3.41 C ATOM 1291 O TRP A 90 -28.119 9.026 -8.829 1.00 72.41 O ATOM 1292 CB TRP A 90 -25.232 8.899 -9.155 1.00 25.31 C ATOM 1293 CG TRP A 90 -25.023 7.880 -10.239 1.00 64.05 C ATOM 1294 CD1 TRP A 90 -23.974 7.032 -10.338 1.00 61.42 C ATOM 1295 CD2 TRP A 90 -25.824 7.660 -11.441 1.00 65.14 C ATOM 1296 NE1 TRP A 90 -24.045 6.338 -11.530 1.00 24.13 N ATOM 1297 CE2 TRP A 90 -25.137 6.727 -12.272 1.00 53.22 C ATOM 1298 CE3 TRP A 90 -27.041 8.176 -11.937 1.00 42.54 C ATOM 1299 CZ2 TRP A 90 -25.594 6.389 -13.554 1.00 64.21 C ATOM 1300 CZ3 TRP A 90 -27.525 7.818 -13.211 1.00 14.12 C ATOM 1301 CH2 TRP A 90 -26.791 6.945 -14.032 1.00 1.14 C ATOM 0 H TRP A 90 -25.129 6.563 -7.892 1.00 22.23 H new ATOM 0 HA TRP A 90 -25.998 9.292 -7.189 1.00 52.41 H new ATOM 0 HB2 TRP A 90 -25.758 9.748 -9.591 1.00 25.31 H new ATOM 0 HB3 TRP A 90 -24.252 9.259 -8.841 1.00 25.31 H new ATOM 0 HD1 TRP A 90 -23.198 6.915 -9.596 1.00 61.42 H new ATOM 0 HE1 TRP A 90 -23.374 5.628 -11.823 1.00 24.13 H new ATOM 0 HE3 TRP A 90 -27.613 8.860 -11.327 1.00 42.54 H new ATOM 0 HZ2 TRP A 90 -25.029 5.705 -14.170 1.00 64.21 H new ATOM 0 HZ3 TRP A 90 -28.466 8.217 -13.559 1.00 14.12 H new ATOM 0 HH2 TRP A 90 -27.145 6.704 -15.023 1.00 1.14 H new ATOM 1311 N LEU A 91 -27.983 7.042 -7.761 1.00 21.22 N ATOM 1312 CA LEU A 91 -29.408 6.780 -7.640 1.00 1.53 C ATOM 1313 C LEU A 91 -29.840 7.258 -6.257 1.00 61.33 C ATOM 1314 O LEU A 91 -31.047 7.473 -6.052 1.00 41.04 O ATOM 1315 CB LEU A 91 -29.708 5.280 -7.811 1.00 3.10 C ATOM 1316 CG LEU A 91 -29.739 4.747 -9.261 1.00 64.24 C ATOM 1317 CD1 LEU A 91 -30.983 5.245 -10.010 1.00 43.12 C ATOM 1318 CD2 LEU A 91 -28.495 5.087 -10.099 1.00 50.35 C ATOM 0 H LEU A 91 -27.402 6.252 -7.479 1.00 21.22 H new ATOM 0 HA LEU A 91 -29.958 7.307 -8.420 1.00 1.53 H new ATOM 0 HB2 LEU A 91 -28.959 4.716 -7.256 1.00 3.10 H new ATOM 0 HB3 LEU A 91 -30.672 5.070 -7.349 1.00 3.10 H new ATOM 0 HG LEU A 91 -29.762 3.663 -9.146 1.00 64.24 H new ATOM 0 HD11 LEU A 91 -30.976 4.853 -11.027 1.00 43.12 H new ATOM 0 HD12 LEU A 91 -31.880 4.901 -9.495 1.00 43.12 H new ATOM 0 HD13 LEU A 91 -30.977 6.335 -10.041 1.00 43.12 H new ATOM 0 HD21 LEU A 91 -28.607 4.672 -11.101 1.00 50.35 H new ATOM 0 HD22 LEU A 91 -28.385 6.169 -10.164 1.00 50.35 H new ATOM 0 HD23 LEU A 91 -27.610 4.660 -9.626 1.00 50.35 H new TER 1329 LEU A 91