USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 949 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 49 SER OG : rot -120:sc= -0.218 USER MOD Set 1.2: A 89 ASN : amide:sc= -1.38! K(o=-1.6!,f=0.79) USER MOD Set 2.1: A 80 THR OG1 : rot -179:sc= 0.185 USER MOD Set 2.2: A 83 SER OG : rot 99:sc= 0.191 USER MOD Set 3.1: A 21 ASN : amide:sc= 0.552 K(o=0.55,f=-6.2!) USER MOD Set 3.2: A 22 ASN : amide:sc=-0.00596 K(o=0.55,f=-1.3) USER MOD Single : A 5 MET CE :methyl -159:sc= -1.11 (180deg=-2.22) USER MOD Single : A 7 MET CE :methyl -178:sc= -0.774 (180deg=-0.827) USER MOD Single : A 10 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 SER OG : rot -150:sc= -0.452 USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= -0.0118 (180deg=-0.109) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= 0.704 (180deg=0.519) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0314 USER MOD Single : A 24 THR OG1 : rot -31:sc= 1.12 USER MOD Single : A 25 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.068) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0284 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.015) USER MOD Single : A 51 GLN : amide:sc= -1.47! C(o=-1.5!,f=-6.3!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 78:sc= 0.121 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0379 USER MOD Single : A 69 SER OG : rot -170:sc= -0.501 USER MOD Single : A 71 THR OG1 : rot 38:sc= 0.112 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -143:sc= 1.34 (180deg=0.785) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.0411 X(o=-0.041,f=0) USER MOD Single : A 87 SER OG : rot -77:sc= 1.03 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.18) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-3.4) USER MOD Single : A 99 CYS SG : rot 75:sc= -2.19 USER MOD Single : A 101 ASN : amide:sc= -0.415 K(o=-0.42,f=-2.3!) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0146 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.116) USER MOD Single : A 108 SER OG : rot -31:sc= 0.0331 USER MOD Single : A 116 CYS SG : rot -48:sc= -2.44! USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 4 5.346 10.815 -7.569 1.00 0.61 N ATOM 2 CA ALA A 4 4.813 9.608 -6.964 1.00 0.53 C ATOM 3 C ALA A 4 4.847 8.457 -7.964 1.00 0.44 C ATOM 4 O ALA A 4 4.388 8.587 -9.103 1.00 0.54 O ATOM 5 CB ALA A 4 3.398 9.846 -6.464 1.00 0.64 C ATOM 0 HA ALA A 4 5.435 9.340 -6.110 1.00 0.53 H new ATOM 0 HB1 ALA A 4 3.013 8.931 -6.013 1.00 0.64 H new ATOM 0 HB2 ALA A 4 3.404 10.643 -5.720 1.00 0.64 H new ATOM 0 HB3 ALA A 4 2.761 10.135 -7.300 1.00 0.64 H new ATOM 11 N MET A 5 5.394 7.338 -7.528 1.00 0.39 N ATOM 12 CA MET A 5 5.596 6.180 -8.382 1.00 0.37 C ATOM 13 C MET A 5 4.672 5.044 -7.946 1.00 0.30 C ATOM 14 O MET A 5 4.782 4.568 -6.826 1.00 0.29 O ATOM 15 CB MET A 5 7.051 5.737 -8.258 1.00 0.43 C ATOM 16 CG MET A 5 7.654 5.188 -9.544 1.00 1.01 C ATOM 17 SD MET A 5 7.061 3.540 -9.958 1.00 1.80 S ATOM 18 CE MET A 5 7.711 2.606 -8.577 1.00 1.60 C ATOM 0 H MET A 5 5.712 7.205 -6.568 1.00 0.39 H new ATOM 0 HA MET A 5 5.369 6.437 -9.417 1.00 0.37 H new ATOM 0 HB2 MET A 5 7.649 6.585 -7.924 1.00 0.43 H new ATOM 0 HB3 MET A 5 7.121 4.973 -7.484 1.00 0.43 H new ATOM 0 HG2 MET A 5 7.423 5.867 -10.365 1.00 1.01 H new ATOM 0 HG3 MET A 5 8.739 5.163 -9.447 1.00 1.01 H new ATOM 0 HE1 MET A 5 7.767 1.551 -8.846 1.00 1.60 H new ATOM 0 HE2 MET A 5 8.707 2.971 -8.328 1.00 1.60 H new ATOM 0 HE3 MET A 5 7.055 2.726 -7.715 1.00 1.60 H new ATOM 28 N PRO A 6 3.753 4.602 -8.823 1.00 0.30 N ATOM 29 CA PRO A 6 2.770 3.552 -8.498 1.00 0.28 C ATOM 30 C PRO A 6 3.373 2.390 -7.712 1.00 0.27 C ATOM 31 O PRO A 6 4.357 1.779 -8.137 1.00 0.30 O ATOM 32 CB PRO A 6 2.311 3.083 -9.875 1.00 0.32 C ATOM 33 CG PRO A 6 2.434 4.288 -10.740 1.00 0.47 C ATOM 34 CD PRO A 6 3.604 5.078 -10.211 1.00 0.36 C ATOM 0 HA PRO A 6 1.971 3.927 -7.859 1.00 0.28 H new ATOM 0 HB2 PRO A 6 2.931 2.266 -10.243 1.00 0.32 H new ATOM 0 HB3 PRO A 6 1.285 2.717 -9.848 1.00 0.32 H new ATOM 0 HG2 PRO A 6 2.596 4.004 -11.780 1.00 0.47 H new ATOM 0 HG3 PRO A 6 1.520 4.881 -10.710 1.00 0.47 H new ATOM 0 HD2 PRO A 6 4.506 4.896 -10.795 1.00 0.36 H new ATOM 0 HD3 PRO A 6 3.412 6.150 -10.247 1.00 0.36 H new ATOM 42 N MET A 7 2.774 2.084 -6.563 1.00 0.24 N ATOM 43 CA MET A 7 3.314 1.072 -5.662 1.00 0.24 C ATOM 44 C MET A 7 3.271 -0.320 -6.284 1.00 0.28 C ATOM 45 O MET A 7 4.122 -1.152 -5.991 1.00 0.32 O ATOM 46 CB MET A 7 2.567 1.073 -4.325 1.00 0.22 C ATOM 47 CG MET A 7 3.213 1.959 -3.274 1.00 0.31 C ATOM 48 SD MET A 7 4.829 1.347 -2.757 1.00 0.62 S ATOM 49 CE MET A 7 4.397 -0.238 -2.041 1.00 0.63 C ATOM 0 H MET A 7 1.914 2.524 -6.235 1.00 0.24 H new ATOM 0 HA MET A 7 4.358 1.329 -5.482 1.00 0.24 H new ATOM 0 HB2 MET A 7 1.542 1.406 -4.490 1.00 0.22 H new ATOM 0 HB3 MET A 7 2.514 0.052 -3.946 1.00 0.22 H new ATOM 0 HG2 MET A 7 3.320 2.969 -3.670 1.00 0.31 H new ATOM 0 HG3 MET A 7 2.558 2.025 -2.406 1.00 0.31 H new ATOM 0 HE1 MET A 7 5.294 -0.716 -1.646 1.00 0.63 H new ATOM 0 HE2 MET A 7 3.680 -0.089 -1.234 1.00 0.63 H new ATOM 0 HE3 MET A 7 3.954 -0.875 -2.807 1.00 0.63 H new ATOM 59 N ILE A 8 2.284 -0.575 -7.138 1.00 0.29 N ATOM 60 CA ILE A 8 2.214 -1.849 -7.848 1.00 0.33 C ATOM 61 C ILE A 8 3.378 -1.967 -8.828 1.00 0.36 C ATOM 62 O ILE A 8 3.967 -3.034 -8.978 1.00 0.39 O ATOM 63 CB ILE A 8 0.864 -2.024 -8.580 1.00 0.37 C ATOM 64 CG1 ILE A 8 -0.249 -2.277 -7.560 1.00 0.42 C ATOM 65 CG2 ILE A 8 0.925 -3.158 -9.595 1.00 0.47 C ATOM 66 CD1 ILE A 8 -0.074 -3.556 -6.763 1.00 0.51 C ATOM 0 H ILE A 8 1.529 0.076 -7.354 1.00 0.29 H new ATOM 0 HA ILE A 8 2.288 -2.648 -7.110 1.00 0.33 H new ATOM 0 HB ILE A 8 0.649 -1.105 -9.126 1.00 0.37 H new ATOM 0 HG12 ILE A 8 -0.295 -1.434 -6.870 1.00 0.42 H new ATOM 0 HG13 ILE A 8 -1.205 -2.314 -8.082 1.00 0.42 H new ATOM 0 HG21 ILE A 8 -0.040 -3.254 -10.092 1.00 0.47 H new ATOM 0 HG22 ILE A 8 1.695 -2.942 -10.336 1.00 0.47 H new ATOM 0 HG23 ILE A 8 1.165 -4.091 -9.084 1.00 0.47 H new ATOM 0 HD11 ILE A 8 -0.902 -3.664 -6.062 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -0.059 -4.409 -7.442 1.00 0.51 H new ATOM 0 HD13 ILE A 8 0.865 -3.515 -6.211 1.00 0.51 H new ATOM 78 N GLU A 9 3.722 -0.850 -9.461 1.00 0.38 N ATOM 79 CA GLU A 9 4.887 -0.781 -10.339 1.00 0.42 C ATOM 80 C GLU A 9 6.151 -1.088 -9.535 1.00 0.39 C ATOM 81 O GLU A 9 7.046 -1.800 -9.993 1.00 0.39 O ATOM 82 CB GLU A 9 4.979 0.616 -10.964 1.00 0.50 C ATOM 83 CG GLU A 9 6.127 0.802 -11.945 1.00 0.66 C ATOM 84 CD GLU A 9 5.922 0.060 -13.250 1.00 0.86 C ATOM 85 OE1 GLU A 9 4.882 0.272 -13.903 1.00 0.83 O ATOM 86 OE2 GLU A 9 6.795 -0.748 -13.624 1.00 1.72 O ATOM 0 H GLU A 9 3.207 0.027 -9.382 1.00 0.38 H new ATOM 0 HA GLU A 9 4.788 -1.517 -11.137 1.00 0.42 H new ATOM 0 HB2 GLU A 9 4.042 0.831 -11.478 1.00 0.50 H new ATOM 0 HB3 GLU A 9 5.080 1.350 -10.165 1.00 0.50 H new ATOM 0 HG2 GLU A 9 6.249 1.865 -12.154 1.00 0.66 H new ATOM 0 HG3 GLU A 9 7.052 0.460 -11.481 1.00 0.66 H new ATOM 93 N TYR A 10 6.200 -0.554 -8.320 1.00 0.41 N ATOM 94 CA TYR A 10 7.309 -0.798 -7.408 1.00 0.42 C ATOM 95 C TYR A 10 7.379 -2.277 -7.034 1.00 0.43 C ATOM 96 O TYR A 10 8.442 -2.894 -7.095 1.00 0.45 O ATOM 97 CB TYR A 10 7.152 0.061 -6.147 1.00 0.43 C ATOM 98 CG TYR A 10 8.284 -0.092 -5.155 1.00 0.44 C ATOM 99 CD1 TYR A 10 9.442 0.666 -5.271 1.00 0.47 C ATOM 100 CD2 TYR A 10 8.193 -0.995 -4.103 1.00 0.43 C ATOM 101 CE1 TYR A 10 10.478 0.530 -4.367 1.00 0.50 C ATOM 102 CE2 TYR A 10 9.223 -1.137 -3.195 1.00 0.45 C ATOM 103 CZ TYR A 10 10.365 -0.369 -3.330 1.00 0.47 C ATOM 104 OH TYR A 10 11.389 -0.510 -2.421 1.00 0.51 O ATOM 0 H TYR A 10 5.476 0.057 -7.942 1.00 0.41 H new ATOM 0 HA TYR A 10 8.238 -0.524 -7.909 1.00 0.42 H new ATOM 0 HB2 TYR A 10 7.078 1.108 -6.440 1.00 0.43 H new ATOM 0 HB3 TYR A 10 6.214 -0.200 -5.656 1.00 0.43 H new ATOM 0 HD1 TYR A 10 9.534 1.374 -6.082 1.00 0.47 H new ATOM 0 HD2 TYR A 10 7.302 -1.596 -3.994 1.00 0.43 H new ATOM 0 HE1 TYR A 10 11.372 1.126 -4.473 1.00 0.50 H new ATOM 0 HE2 TYR A 10 9.137 -1.844 -2.383 1.00 0.45 H new ATOM 0 HH TYR A 10 11.866 0.341 -2.331 1.00 0.51 H new ATOM 114 N LEU A 11 6.239 -2.839 -6.659 1.00 0.43 N ATOM 115 CA LEU A 11 6.156 -4.246 -6.282 1.00 0.46 C ATOM 116 C LEU A 11 6.552 -5.138 -7.450 1.00 0.44 C ATOM 117 O LEU A 11 7.270 -6.122 -7.281 1.00 0.48 O ATOM 118 CB LEU A 11 4.733 -4.588 -5.828 1.00 0.50 C ATOM 119 CG LEU A 11 4.218 -3.778 -4.638 1.00 0.58 C ATOM 120 CD1 LEU A 11 2.752 -4.084 -4.380 1.00 0.66 C ATOM 121 CD2 LEU A 11 5.049 -4.056 -3.396 1.00 0.77 C ATOM 0 H LEU A 11 5.351 -2.339 -6.607 1.00 0.43 H new ATOM 0 HA LEU A 11 6.847 -4.421 -5.458 1.00 0.46 H new ATOM 0 HB2 LEU A 11 4.055 -4.440 -6.669 1.00 0.50 H new ATOM 0 HB3 LEU A 11 4.695 -5.646 -5.570 1.00 0.50 H new ATOM 0 HG LEU A 11 4.312 -2.719 -4.880 1.00 0.58 H new ATOM 0 HD11 LEU A 11 2.402 -3.499 -3.530 1.00 0.66 H new ATOM 0 HD12 LEU A 11 2.166 -3.828 -5.263 1.00 0.66 H new ATOM 0 HD13 LEU A 11 2.635 -5.146 -4.163 1.00 0.66 H new ATOM 0 HD21 LEU A 11 4.664 -3.469 -2.562 1.00 0.77 H new ATOM 0 HD22 LEU A 11 4.992 -5.116 -3.150 1.00 0.77 H new ATOM 0 HD23 LEU A 11 6.087 -3.782 -3.584 1.00 0.77 H new ATOM 133 N GLU A 12 6.087 -4.776 -8.634 1.00 0.40 N ATOM 134 CA GLU A 12 6.374 -5.528 -9.845 1.00 0.40 C ATOM 135 C GLU A 12 7.874 -5.533 -10.142 1.00 0.44 C ATOM 136 O GLU A 12 8.487 -6.592 -10.288 1.00 0.49 O ATOM 137 CB GLU A 12 5.593 -4.919 -11.017 1.00 0.40 C ATOM 138 CG GLU A 12 5.805 -5.633 -12.340 1.00 0.43 C ATOM 139 CD GLU A 12 4.889 -5.135 -13.440 1.00 0.47 C ATOM 140 OE1 GLU A 12 5.129 -4.025 -13.960 1.00 0.59 O ATOM 141 OE2 GLU A 12 3.913 -5.831 -13.773 1.00 0.51 O ATOM 0 H GLU A 12 5.501 -3.954 -8.783 1.00 0.40 H new ATOM 0 HA GLU A 12 6.062 -6.563 -9.703 1.00 0.40 H new ATOM 0 HB2 GLU A 12 4.530 -4.930 -10.776 1.00 0.40 H new ATOM 0 HB3 GLU A 12 5.883 -3.874 -11.129 1.00 0.40 H new ATOM 0 HG2 GLU A 12 6.841 -5.505 -12.653 1.00 0.43 H new ATOM 0 HG3 GLU A 12 5.645 -6.702 -12.199 1.00 0.43 H new ATOM 148 N ARG A 13 8.458 -4.345 -10.187 1.00 0.45 N ATOM 149 CA ARG A 13 9.858 -4.187 -10.568 1.00 0.52 C ATOM 150 C ARG A 13 10.814 -4.648 -9.473 1.00 0.58 C ATOM 151 O ARG A 13 11.756 -5.394 -9.735 1.00 0.62 O ATOM 152 CB ARG A 13 10.146 -2.722 -10.900 1.00 0.56 C ATOM 153 CG ARG A 13 9.383 -2.201 -12.101 1.00 0.54 C ATOM 154 CD ARG A 13 9.534 -0.695 -12.237 1.00 0.67 C ATOM 155 NE ARG A 13 10.927 -0.292 -12.410 1.00 1.25 N ATOM 156 CZ ARG A 13 11.381 0.940 -12.192 1.00 1.51 C ATOM 157 NH1 ARG A 13 10.556 1.893 -11.771 1.00 1.38 N ATOM 158 NH2 ARG A 13 12.660 1.214 -12.405 1.00 2.48 N ATOM 0 H ARG A 13 7.983 -3.470 -9.963 1.00 0.45 H new ATOM 0 HA ARG A 13 10.023 -4.815 -11.443 1.00 0.52 H new ATOM 0 HB2 ARG A 13 9.901 -2.109 -10.033 1.00 0.56 H new ATOM 0 HB3 ARG A 13 11.214 -2.605 -11.082 1.00 0.56 H new ATOM 0 HG2 ARG A 13 9.746 -2.689 -13.006 1.00 0.54 H new ATOM 0 HG3 ARG A 13 8.328 -2.456 -12.003 1.00 0.54 H new ATOM 0 HD2 ARG A 13 8.949 -0.349 -13.089 1.00 0.67 H new ATOM 0 HD3 ARG A 13 9.125 -0.209 -11.351 1.00 0.67 H new ATOM 0 HE ARG A 13 11.594 -1.000 -12.717 1.00 1.25 H new ATOM 0 HH11 ARG A 13 9.571 1.682 -11.614 1.00 1.38 H new ATOM 0 HH12 ARG A 13 10.908 2.836 -11.605 1.00 1.38 H new ATOM 0 HH21 ARG A 13 13.290 0.483 -12.734 1.00 2.48 H new ATOM 0 HH22 ARG A 13 13.014 2.156 -12.240 1.00 2.48 H new ATOM 172 N PHE A 14 10.563 -4.217 -8.246 1.00 0.60 N ATOM 173 CA PHE A 14 11.545 -4.367 -7.182 1.00 0.69 C ATOM 174 C PHE A 14 11.255 -5.562 -6.278 1.00 0.71 C ATOM 175 O PHE A 14 12.170 -6.285 -5.896 1.00 0.83 O ATOM 176 CB PHE A 14 11.615 -3.086 -6.346 1.00 0.72 C ATOM 177 CG PHE A 14 12.057 -1.879 -7.129 1.00 0.73 C ATOM 178 CD1 PHE A 14 11.130 -1.076 -7.770 1.00 0.64 C ATOM 179 CD2 PHE A 14 13.399 -1.548 -7.222 1.00 0.87 C ATOM 180 CE1 PHE A 14 11.530 0.033 -8.488 1.00 0.67 C ATOM 181 CE2 PHE A 14 13.808 -0.439 -7.939 1.00 0.91 C ATOM 182 CZ PHE A 14 12.878 0.349 -8.577 1.00 0.81 C ATOM 0 H PHE A 14 9.694 -3.764 -7.963 1.00 0.60 H new ATOM 0 HA PHE A 14 12.507 -4.551 -7.660 1.00 0.69 H new ATOM 0 HB2 PHE A 14 10.633 -2.889 -5.915 1.00 0.72 H new ATOM 0 HB3 PHE A 14 12.303 -3.242 -5.515 1.00 0.72 H new ATOM 0 HD1 PHE A 14 10.080 -1.320 -7.708 1.00 0.64 H new ATOM 0 HD2 PHE A 14 14.135 -2.164 -6.728 1.00 0.87 H new ATOM 0 HE1 PHE A 14 10.795 0.653 -8.979 1.00 0.67 H new ATOM 0 HE2 PHE A 14 14.858 -0.191 -7.998 1.00 0.91 H new ATOM 0 HZ PHE A 14 13.196 1.211 -9.145 1.00 0.81 H new ATOM 192 N SER A 15 9.993 -5.779 -5.932 1.00 0.63 N ATOM 193 CA SER A 15 9.661 -6.812 -4.959 1.00 0.67 C ATOM 194 C SER A 15 9.570 -8.190 -5.611 1.00 0.69 C ATOM 195 O SER A 15 10.051 -9.181 -5.059 1.00 0.78 O ATOM 196 CB SER A 15 8.337 -6.468 -4.274 1.00 0.65 C ATOM 197 OG SER A 15 8.345 -5.132 -3.802 1.00 1.36 O ATOM 0 H SER A 15 9.195 -5.264 -6.303 1.00 0.63 H new ATOM 0 HA SER A 15 10.460 -6.848 -4.218 1.00 0.67 H new ATOM 0 HB2 SER A 15 7.514 -6.606 -4.975 1.00 0.65 H new ATOM 0 HB3 SER A 15 8.165 -7.151 -3.442 1.00 0.65 H new ATOM 0 HG SER A 15 7.774 -5.062 -3.008 1.00 1.36 H new ATOM 203 N LEU A 16 8.970 -8.250 -6.789 1.00 0.63 N ATOM 204 CA LEU A 16 8.823 -9.512 -7.500 1.00 0.68 C ATOM 205 C LEU A 16 9.970 -9.755 -8.467 1.00 0.79 C ATOM 206 O LEU A 16 10.299 -10.904 -8.776 1.00 0.89 O ATOM 207 CB LEU A 16 7.497 -9.559 -8.259 1.00 0.62 C ATOM 208 CG LEU A 16 6.243 -9.637 -7.388 1.00 0.60 C ATOM 209 CD1 LEU A 16 5.006 -9.733 -8.264 1.00 1.24 C ATOM 210 CD2 LEU A 16 6.317 -10.829 -6.444 1.00 1.20 C ATOM 0 H LEU A 16 8.577 -7.442 -7.273 1.00 0.63 H new ATOM 0 HA LEU A 16 8.837 -10.301 -6.748 1.00 0.68 H new ATOM 0 HB2 LEU A 16 7.427 -8.672 -8.888 1.00 0.62 H new ATOM 0 HB3 LEU A 16 7.510 -10.422 -8.925 1.00 0.62 H new ATOM 0 HG LEU A 16 6.181 -8.730 -6.787 1.00 0.60 H new ATOM 0 HD11 LEU A 16 4.118 -9.788 -7.635 1.00 1.24 H new ATOM 0 HD12 LEU A 16 4.944 -8.852 -8.903 1.00 1.24 H new ATOM 0 HD13 LEU A 16 5.068 -10.628 -8.884 1.00 1.24 H new ATOM 0 HD21 LEU A 16 5.415 -10.866 -5.833 1.00 1.20 H new ATOM 0 HD22 LEU A 16 6.400 -11.748 -7.024 1.00 1.20 H new ATOM 0 HD23 LEU A 16 7.189 -10.728 -5.798 1.00 1.20 H new ATOM 222 N LYS A 17 10.565 -8.658 -8.945 1.00 0.83 N ATOM 223 CA LYS A 17 11.618 -8.709 -9.962 1.00 0.97 C ATOM 224 C LYS A 17 11.070 -9.313 -11.253 1.00 1.01 C ATOM 225 O LYS A 17 11.815 -9.869 -12.062 1.00 1.15 O ATOM 226 CB LYS A 17 12.829 -9.508 -9.460 1.00 1.10 C ATOM 227 CG LYS A 17 13.520 -8.888 -8.253 1.00 1.13 C ATOM 228 CD LYS A 17 14.192 -7.570 -8.602 1.00 1.17 C ATOM 229 CE LYS A 17 14.796 -6.905 -7.372 1.00 1.61 C ATOM 230 NZ LYS A 17 15.846 -7.744 -6.732 1.00 2.03 N ATOM 0 H LYS A 17 10.331 -7.714 -8.639 1.00 0.83 H new ATOM 0 HA LYS A 17 11.952 -7.691 -10.165 1.00 0.97 H new ATOM 0 HB2 LYS A 17 12.505 -10.516 -9.203 1.00 1.10 H new ATOM 0 HB3 LYS A 17 13.551 -9.602 -10.271 1.00 1.10 H new ATOM 0 HG2 LYS A 17 12.790 -8.725 -7.460 1.00 1.13 H new ATOM 0 HG3 LYS A 17 14.264 -9.583 -7.863 1.00 1.13 H new ATOM 0 HD2 LYS A 17 14.973 -7.744 -9.342 1.00 1.17 H new ATOM 0 HD3 LYS A 17 13.464 -6.899 -9.058 1.00 1.17 H new ATOM 0 HE2 LYS A 17 15.225 -5.944 -7.656 1.00 1.61 H new ATOM 0 HE3 LYS A 17 14.007 -6.700 -6.648 1.00 1.61 H new ATOM 0 HZ1 LYS A 17 16.320 -7.197 -5.985 1.00 2.03 H new ATOM 0 HZ2 LYS A 17 15.408 -8.591 -6.316 1.00 2.03 H new ATOM 0 HZ3 LYS A 17 16.544 -8.031 -7.447 1.00 2.03 H new ATOM 244 N ALA A 18 9.763 -9.174 -11.441 1.00 0.95 N ATOM 245 CA ALA A 18 9.069 -9.780 -12.569 1.00 1.03 C ATOM 246 C ALA A 18 7.875 -8.918 -12.971 1.00 1.02 C ATOM 247 O ALA A 18 7.945 -7.695 -12.902 1.00 1.34 O ATOM 248 CB ALA A 18 8.623 -11.192 -12.211 1.00 1.06 C ATOM 0 H ALA A 18 9.157 -8.640 -10.818 1.00 0.95 H new ATOM 0 HA ALA A 18 9.750 -9.841 -13.418 1.00 1.03 H new ATOM 0 HB1 ALA A 18 8.105 -11.636 -13.061 1.00 1.06 H new ATOM 0 HB2 ALA A 18 9.495 -11.796 -11.961 1.00 1.06 H new ATOM 0 HB3 ALA A 18 7.949 -11.155 -11.355 1.00 1.06 H new ATOM 254 N LYS A 19 6.798 -9.553 -13.415 1.00 0.80 N ATOM 255 CA LYS A 19 5.577 -8.839 -13.762 1.00 0.77 C ATOM 256 C LYS A 19 4.451 -9.186 -12.790 1.00 0.64 C ATOM 257 O LYS A 19 4.289 -10.342 -12.401 1.00 0.74 O ATOM 258 CB LYS A 19 5.163 -9.146 -15.206 1.00 0.93 C ATOM 259 CG LYS A 19 3.767 -8.648 -15.560 1.00 1.52 C ATOM 260 CD LYS A 19 3.663 -8.233 -17.017 1.00 1.71 C ATOM 261 CE LYS A 19 4.359 -6.901 -17.267 1.00 1.93 C ATOM 262 NZ LYS A 19 3.739 -5.792 -16.490 1.00 2.69 N ATOM 0 H LYS A 19 6.746 -10.564 -13.543 1.00 0.80 H new ATOM 0 HA LYS A 19 5.774 -7.770 -13.684 1.00 0.77 H new ATOM 0 HB2 LYS A 19 5.884 -8.693 -15.886 1.00 0.93 H new ATOM 0 HB3 LYS A 19 5.207 -10.223 -15.366 1.00 0.93 H new ATOM 0 HG2 LYS A 19 3.039 -9.433 -15.354 1.00 1.52 H new ATOM 0 HG3 LYS A 19 3.512 -7.801 -14.923 1.00 1.52 H new ATOM 0 HD2 LYS A 19 4.108 -9.002 -17.648 1.00 1.71 H new ATOM 0 HD3 LYS A 19 2.613 -8.156 -17.301 1.00 1.71 H new ATOM 0 HE2 LYS A 19 5.412 -6.987 -16.999 1.00 1.93 H new ATOM 0 HE3 LYS A 19 4.319 -6.665 -18.330 1.00 1.93 H new ATOM 0 HZ1 LYS A 19 4.187 -4.891 -16.753 1.00 2.69 H new ATOM 0 HZ2 LYS A 19 2.722 -5.747 -16.700 1.00 2.69 H new ATOM 0 HZ3 LYS A 19 3.875 -5.962 -15.473 1.00 2.69 H new ATOM 276 N ILE A 20 3.681 -8.174 -12.410 1.00 0.57 N ATOM 277 CA ILE A 20 2.577 -8.342 -11.474 1.00 0.52 C ATOM 278 C ILE A 20 1.317 -8.792 -12.198 1.00 0.54 C ATOM 279 O ILE A 20 0.987 -8.276 -13.271 1.00 0.64 O ATOM 280 CB ILE A 20 2.305 -7.027 -10.687 1.00 0.56 C ATOM 281 CG1 ILE A 20 2.810 -7.161 -9.257 1.00 0.46 C ATOM 282 CG2 ILE A 20 0.829 -6.639 -10.691 1.00 0.92 C ATOM 283 CD1 ILE A 20 1.981 -8.091 -8.400 1.00 0.72 C ATOM 0 H ILE A 20 3.804 -7.217 -12.741 1.00 0.57 H new ATOM 0 HA ILE A 20 2.863 -9.115 -10.761 1.00 0.52 H new ATOM 0 HB ILE A 20 2.847 -6.229 -11.194 1.00 0.56 H new ATOM 0 HG12 ILE A 20 3.838 -7.521 -9.277 1.00 0.46 H new ATOM 0 HG13 ILE A 20 2.827 -6.174 -8.794 1.00 0.46 H new ATOM 0 HG21 ILE A 20 0.694 -5.715 -10.129 1.00 0.92 H new ATOM 0 HG22 ILE A 20 0.495 -6.491 -11.718 1.00 0.92 H new ATOM 0 HG23 ILE A 20 0.243 -7.434 -10.230 1.00 0.92 H new ATOM 0 HD11 ILE A 20 2.403 -8.134 -7.396 1.00 0.72 H new ATOM 0 HD12 ILE A 20 0.957 -7.721 -8.347 1.00 0.72 H new ATOM 0 HD13 ILE A 20 1.984 -9.089 -8.838 1.00 0.72 H new ATOM 295 N ASN A 21 0.636 -9.770 -11.618 1.00 0.58 N ATOM 296 CA ASN A 21 -0.650 -10.218 -12.124 1.00 0.72 C ATOM 297 C ASN A 21 -1.282 -11.149 -11.103 1.00 0.78 C ATOM 298 O ASN A 21 -0.597 -11.618 -10.197 1.00 0.77 O ATOM 299 CB ASN A 21 -0.489 -10.950 -13.459 1.00 0.80 C ATOM 300 CG ASN A 21 -1.711 -10.840 -14.353 1.00 1.21 C ATOM 301 OD1 ASN A 21 -2.842 -10.706 -13.880 1.00 1.78 O ATOM 302 ND2 ASN A 21 -1.488 -10.899 -15.656 1.00 1.71 N ATOM 0 H ASN A 21 0.958 -10.271 -10.790 1.00 0.58 H new ATOM 0 HA ASN A 21 -1.288 -9.349 -12.289 1.00 0.72 H new ATOM 0 HB2 ASN A 21 0.376 -10.546 -13.985 1.00 0.80 H new ATOM 0 HB3 ASN A 21 -0.282 -12.003 -13.266 1.00 0.80 H new ATOM 0 HD21 ASN A 21 -2.268 -10.833 -16.310 1.00 1.71 H new ATOM 0 HD22 ASN A 21 -0.536 -11.010 -16.006 1.00 1.71 H new ATOM 309 N ASN A 22 -2.565 -11.452 -11.249 1.00 0.97 N ATOM 310 CA ASN A 22 -3.256 -12.300 -10.277 1.00 1.09 C ATOM 311 C ASN A 22 -2.686 -13.720 -10.287 1.00 1.03 C ATOM 312 O ASN A 22 -2.882 -14.486 -9.343 1.00 1.07 O ATOM 313 CB ASN A 22 -4.771 -12.327 -10.529 1.00 1.41 C ATOM 314 CG ASN A 22 -5.168 -13.075 -11.789 1.00 1.73 C ATOM 315 OD1 ASN A 22 -4.430 -13.110 -12.774 1.00 2.31 O ATOM 316 ND2 ASN A 22 -6.344 -13.681 -11.761 1.00 2.35 N ATOM 0 H ASN A 22 -3.147 -11.129 -12.022 1.00 0.97 H new ATOM 0 HA ASN A 22 -3.089 -11.867 -9.291 1.00 1.09 H new ATOM 0 HB2 ASN A 22 -5.264 -12.788 -9.673 1.00 1.41 H new ATOM 0 HB3 ASN A 22 -5.138 -11.303 -10.595 1.00 1.41 H new ATOM 0 HD21 ASN A 22 -6.669 -14.202 -12.576 1.00 2.35 H new ATOM 0 HD22 ASN A 22 -6.925 -13.628 -10.925 1.00 2.35 H new ATOM 323 N THR A 23 -1.941 -14.040 -11.336 1.00 1.00 N ATOM 324 CA THR A 23 -1.329 -15.349 -11.485 1.00 1.05 C ATOM 325 C THR A 23 -0.031 -15.449 -10.688 1.00 1.02 C ATOM 326 O THR A 23 0.537 -16.533 -10.552 1.00 1.21 O ATOM 327 CB THR A 23 -1.042 -15.630 -12.966 1.00 1.19 C ATOM 328 OG1 THR A 23 -0.565 -14.429 -13.594 1.00 1.51 O ATOM 329 CG2 THR A 23 -2.293 -16.119 -13.671 1.00 1.79 C ATOM 0 H THR A 23 -1.745 -13.399 -12.105 1.00 1.00 H new ATOM 0 HA THR A 23 -2.029 -16.090 -11.098 1.00 1.05 H new ATOM 0 HB THR A 23 -0.282 -16.409 -13.037 1.00 1.19 H new ATOM 0 HG1 THR A 23 -0.379 -14.606 -14.540 1.00 1.51 H new ATOM 0 HG21 THR A 23 -2.068 -16.312 -14.720 1.00 1.79 H new ATOM 0 HG22 THR A 23 -2.641 -17.038 -13.199 1.00 1.79 H new ATOM 0 HG23 THR A 23 -3.071 -15.359 -13.601 1.00 1.79 H new ATOM 337 N THR A 24 0.435 -14.318 -10.159 1.00 0.87 N ATOM 338 CA THR A 24 1.652 -14.307 -9.355 1.00 0.91 C ATOM 339 C THR A 24 1.324 -14.459 -7.871 1.00 0.98 C ATOM 340 O THR A 24 2.217 -14.527 -7.024 1.00 1.91 O ATOM 341 CB THR A 24 2.490 -13.028 -9.576 1.00 0.88 C ATOM 342 OG1 THR A 24 1.747 -11.858 -9.205 1.00 1.37 O ATOM 343 CG2 THR A 24 2.922 -12.917 -11.029 1.00 1.74 C ATOM 0 H THR A 24 -0.008 -13.406 -10.272 1.00 0.87 H new ATOM 0 HA THR A 24 2.250 -15.158 -9.682 1.00 0.91 H new ATOM 0 HB THR A 24 3.375 -13.097 -8.944 1.00 0.88 H new ATOM 0 HG1 THR A 24 0.793 -12.012 -9.365 1.00 1.37 H new ATOM 0 HG21 THR A 24 3.511 -12.010 -11.165 1.00 1.74 H new ATOM 0 HG22 THR A 24 3.525 -13.785 -11.297 1.00 1.74 H new ATOM 0 HG23 THR A 24 2.040 -12.876 -11.669 1.00 1.74 H new ATOM 351 N ASN A 25 0.017 -14.516 -7.587 1.00 0.72 N ATOM 352 CA ASN A 25 -0.505 -14.712 -6.236 1.00 0.79 C ATOM 353 C ASN A 25 -0.142 -13.535 -5.337 1.00 0.73 C ATOM 354 O ASN A 25 0.691 -13.662 -4.438 1.00 0.72 O ATOM 355 CB ASN A 25 0.026 -16.015 -5.633 1.00 1.00 C ATOM 356 CG ASN A 25 -1.055 -16.857 -4.974 1.00 1.96 C ATOM 357 OD1 ASN A 25 -0.953 -18.080 -4.931 1.00 2.69 O ATOM 358 ND2 ASN A 25 -2.101 -16.225 -4.460 1.00 2.58 N ATOM 0 H ASN A 25 -0.711 -14.426 -8.296 1.00 0.72 H new ATOM 0 HA ASN A 25 -1.591 -14.775 -6.304 1.00 0.79 H new ATOM 0 HB2 ASN A 25 0.506 -16.601 -6.417 1.00 1.00 H new ATOM 0 HB3 ASN A 25 0.794 -15.780 -4.896 1.00 1.00 H new ATOM 0 HD21 ASN A 25 -2.849 -16.756 -4.014 1.00 2.58 H new ATOM 0 HD22 ASN A 25 -2.158 -15.208 -4.511 1.00 2.58 H new ATOM 365 N LEU A 26 -0.791 -12.395 -5.567 1.00 0.82 N ATOM 366 CA LEU A 26 -0.526 -11.187 -4.781 1.00 0.88 C ATOM 367 C LEU A 26 -0.877 -11.419 -3.323 1.00 0.83 C ATOM 368 O LEU A 26 -0.398 -10.714 -2.439 1.00 0.86 O ATOM 369 CB LEU A 26 -1.319 -9.980 -5.299 1.00 1.08 C ATOM 370 CG LEU A 26 -1.016 -9.542 -6.732 1.00 1.91 C ATOM 371 CD1 LEU A 26 -1.788 -10.389 -7.722 1.00 2.89 C ATOM 372 CD2 LEU A 26 -1.339 -8.068 -6.921 1.00 2.33 C ATOM 0 H LEU A 26 -1.503 -12.280 -6.289 1.00 0.82 H new ATOM 0 HA LEU A 26 0.537 -10.969 -4.880 1.00 0.88 H new ATOM 0 HB2 LEU A 26 -2.382 -10.212 -5.228 1.00 1.08 H new ATOM 0 HB3 LEU A 26 -1.132 -9.136 -4.635 1.00 1.08 H new ATOM 0 HG LEU A 26 0.049 -9.685 -6.916 1.00 1.91 H new ATOM 0 HD11 LEU A 26 -1.559 -10.062 -8.736 1.00 2.89 H new ATOM 0 HD12 LEU A 26 -1.504 -11.435 -7.605 1.00 2.89 H new ATOM 0 HD13 LEU A 26 -2.857 -10.280 -7.538 1.00 2.89 H new ATOM 0 HD21 LEU A 26 -1.117 -7.775 -7.947 1.00 2.33 H new ATOM 0 HD22 LEU A 26 -2.396 -7.898 -6.716 1.00 2.33 H new ATOM 0 HD23 LEU A 26 -0.736 -7.473 -6.235 1.00 2.33 H new ATOM 384 N ASP A 27 -1.725 -12.409 -3.097 1.00 0.81 N ATOM 385 CA ASP A 27 -2.107 -12.833 -1.760 1.00 0.84 C ATOM 386 C ASP A 27 -0.867 -13.171 -0.954 1.00 0.70 C ATOM 387 O ASP A 27 -0.683 -12.700 0.169 1.00 0.67 O ATOM 388 CB ASP A 27 -3.002 -14.070 -1.846 1.00 1.02 C ATOM 389 CG ASP A 27 -4.124 -13.911 -2.850 1.00 1.52 C ATOM 390 OD1 ASP A 27 -3.840 -13.948 -4.070 1.00 2.28 O ATOM 391 OD2 ASP A 27 -5.284 -13.749 -2.429 1.00 2.00 O ATOM 0 H ASP A 27 -2.171 -12.945 -3.842 1.00 0.81 H new ATOM 0 HA ASP A 27 -2.649 -12.022 -1.273 1.00 0.84 H new ATOM 0 HB2 ASP A 27 -2.396 -14.934 -2.119 1.00 1.02 H new ATOM 0 HB3 ASP A 27 -3.426 -14.276 -0.863 1.00 1.02 H new ATOM 396 N TYR A 28 0.003 -13.966 -1.561 1.00 0.69 N ATOM 397 CA TYR A 28 1.225 -14.393 -0.912 1.00 0.70 C ATOM 398 C TYR A 28 2.177 -13.216 -0.765 1.00 0.63 C ATOM 399 O TYR A 28 2.841 -13.066 0.261 1.00 0.68 O ATOM 400 CB TYR A 28 1.891 -15.513 -1.717 1.00 0.81 C ATOM 401 CG TYR A 28 3.035 -16.183 -0.989 1.00 1.05 C ATOM 402 CD1 TYR A 28 2.794 -17.210 -0.088 1.00 1.16 C ATOM 403 CD2 TYR A 28 4.352 -15.787 -1.199 1.00 1.57 C ATOM 404 CE1 TYR A 28 3.830 -17.826 0.585 1.00 1.61 C ATOM 405 CE2 TYR A 28 5.393 -16.401 -0.531 1.00 2.15 C ATOM 406 CZ TYR A 28 5.127 -17.419 0.359 1.00 2.13 C ATOM 407 OH TYR A 28 6.160 -18.028 1.031 1.00 2.73 O ATOM 0 H TYR A 28 -0.120 -14.327 -2.507 1.00 0.69 H new ATOM 0 HA TYR A 28 0.980 -14.774 0.079 1.00 0.70 H new ATOM 0 HB2 TYR A 28 1.142 -16.264 -1.968 1.00 0.81 H new ATOM 0 HB3 TYR A 28 2.260 -15.103 -2.657 1.00 0.81 H new ATOM 0 HD1 TYR A 28 1.779 -17.533 0.090 1.00 1.16 H new ATOM 0 HD2 TYR A 28 4.563 -14.988 -1.894 1.00 1.57 H new ATOM 0 HE1 TYR A 28 3.625 -18.623 1.285 1.00 1.61 H new ATOM 0 HE2 TYR A 28 6.411 -16.085 -0.705 1.00 2.15 H new ATOM 0 HH TYR A 28 7.011 -17.625 0.757 1.00 2.73 H new ATOM 417 N SER A 29 2.228 -12.372 -1.790 1.00 0.59 N ATOM 418 CA SER A 29 3.109 -11.218 -1.768 1.00 0.62 C ATOM 419 C SER A 29 2.674 -10.227 -0.694 1.00 0.51 C ATOM 420 O SER A 29 3.505 -9.589 -0.074 1.00 0.53 O ATOM 421 CB SER A 29 3.128 -10.523 -3.125 1.00 0.73 C ATOM 422 OG SER A 29 2.976 -11.458 -4.180 1.00 0.81 O ATOM 0 H SER A 29 1.672 -12.467 -2.640 1.00 0.59 H new ATOM 0 HA SER A 29 4.114 -11.573 -1.539 1.00 0.62 H new ATOM 0 HB2 SER A 29 2.327 -9.785 -3.170 1.00 0.73 H new ATOM 0 HB3 SER A 29 4.066 -9.982 -3.247 1.00 0.73 H new ATOM 0 HG SER A 29 2.990 -10.987 -5.039 1.00 0.81 H new ATOM 428 N ARG A 30 1.367 -10.096 -0.477 1.00 0.48 N ATOM 429 CA ARG A 30 0.857 -9.194 0.555 1.00 0.45 C ATOM 430 C ARG A 30 1.295 -9.666 1.938 1.00 0.46 C ATOM 431 O ARG A 30 1.652 -8.860 2.791 1.00 0.56 O ATOM 432 CB ARG A 30 -0.673 -9.080 0.482 1.00 0.52 C ATOM 433 CG ARG A 30 -1.210 -7.853 -0.269 1.00 0.49 C ATOM 434 CD ARG A 30 -0.688 -7.750 -1.700 1.00 0.76 C ATOM 435 NE ARG A 30 0.731 -7.384 -1.763 1.00 1.55 N ATOM 436 CZ ARG A 30 1.438 -7.328 -2.892 1.00 2.24 C ATOM 437 NH1 ARG A 30 0.855 -7.581 -4.058 1.00 2.43 N ATOM 438 NH2 ARG A 30 2.730 -7.017 -2.856 1.00 3.24 N ATOM 0 H ARG A 30 0.647 -10.598 -0.996 1.00 0.48 H new ATOM 0 HA ARG A 30 1.276 -8.204 0.377 1.00 0.45 H new ATOM 0 HB2 ARG A 30 -1.064 -9.977 0.003 1.00 0.52 H new ATOM 0 HB3 ARG A 30 -1.067 -9.064 1.498 1.00 0.52 H new ATOM 0 HG2 ARG A 30 -2.299 -7.894 -0.288 1.00 0.49 H new ATOM 0 HG3 ARG A 30 -0.935 -6.951 0.277 1.00 0.49 H new ATOM 0 HD2 ARG A 30 -0.835 -8.705 -2.205 1.00 0.76 H new ATOM 0 HD3 ARG A 30 -1.274 -7.009 -2.243 1.00 0.76 H new ATOM 0 HE ARG A 30 1.206 -7.158 -0.889 1.00 1.55 H new ATOM 0 HH11 ARG A 30 -0.136 -7.819 -4.092 1.00 2.43 H new ATOM 0 HH12 ARG A 30 1.398 -7.537 -4.920 1.00 2.43 H new ATOM 0 HH21 ARG A 30 3.183 -6.821 -1.963 1.00 3.24 H new ATOM 0 HH22 ARG A 30 3.269 -6.975 -3.721 1.00 3.24 H new ATOM 452 N ARG A 31 1.296 -10.977 2.144 1.00 0.45 N ATOM 453 CA ARG A 31 1.747 -11.550 3.409 1.00 0.47 C ATOM 454 C ARG A 31 3.236 -11.264 3.621 1.00 0.45 C ATOM 455 O ARG A 31 3.677 -10.974 4.730 1.00 0.50 O ATOM 456 CB ARG A 31 1.515 -13.064 3.430 1.00 0.53 C ATOM 457 CG ARG A 31 0.067 -13.484 3.236 1.00 1.14 C ATOM 458 CD ARG A 31 -0.784 -13.194 4.463 1.00 1.21 C ATOM 459 NE ARG A 31 -2.148 -13.694 4.292 1.00 1.89 N ATOM 460 CZ ARG A 31 -2.915 -14.149 5.282 1.00 2.16 C ATOM 461 NH1 ARG A 31 -2.468 -14.175 6.533 1.00 1.87 N ATOM 462 NH2 ARG A 31 -4.133 -14.600 5.014 1.00 3.18 N ATOM 0 H ARG A 31 0.991 -11.663 1.454 1.00 0.45 H new ATOM 0 HA ARG A 31 1.171 -11.090 4.212 1.00 0.47 H new ATOM 0 HB2 ARG A 31 2.121 -13.522 2.648 1.00 0.53 H new ATOM 0 HB3 ARG A 31 1.870 -13.460 4.381 1.00 0.53 H new ATOM 0 HG2 ARG A 31 -0.349 -12.961 2.375 1.00 1.14 H new ATOM 0 HG3 ARG A 31 0.026 -14.550 3.011 1.00 1.14 H new ATOM 0 HD2 ARG A 31 -0.332 -13.657 5.340 1.00 1.21 H new ATOM 0 HD3 ARG A 31 -0.808 -12.120 4.646 1.00 1.21 H new ATOM 0 HE ARG A 31 -2.539 -13.694 3.350 1.00 1.89 H new ATOM 0 HH11 ARG A 31 -1.527 -13.844 6.745 1.00 1.87 H new ATOM 0 HH12 ARG A 31 -3.066 -14.526 7.281 1.00 1.87 H new ATOM 0 HH21 ARG A 31 -4.478 -14.597 4.054 1.00 3.18 H new ATOM 0 HH22 ARG A 31 -4.725 -14.950 5.768 1.00 3.18 H new ATOM 476 N PHE A 32 3.995 -11.348 2.537 1.00 0.45 N ATOM 477 CA PHE A 32 5.440 -11.143 2.569 1.00 0.53 C ATOM 478 C PHE A 32 5.799 -9.648 2.578 1.00 0.53 C ATOM 479 O PHE A 32 6.830 -9.247 3.116 1.00 0.57 O ATOM 480 CB PHE A 32 6.062 -11.880 1.369 1.00 0.66 C ATOM 481 CG PHE A 32 7.314 -11.269 0.804 1.00 0.57 C ATOM 482 CD1 PHE A 32 8.532 -11.398 1.451 1.00 0.66 C ATOM 483 CD2 PHE A 32 7.262 -10.570 -0.390 1.00 0.88 C ATOM 484 CE1 PHE A 32 9.676 -10.838 0.913 1.00 0.93 C ATOM 485 CE2 PHE A 32 8.395 -10.008 -0.932 1.00 1.10 C ATOM 486 CZ PHE A 32 9.607 -10.141 -0.281 1.00 1.08 C ATOM 0 H PHE A 32 3.628 -11.560 1.609 1.00 0.45 H new ATOM 0 HA PHE A 32 5.849 -11.553 3.492 1.00 0.53 H new ATOM 0 HB2 PHE A 32 6.284 -12.904 1.671 1.00 0.66 H new ATOM 0 HB3 PHE A 32 5.317 -11.936 0.575 1.00 0.66 H new ATOM 0 HD1 PHE A 32 8.589 -11.940 2.383 1.00 0.66 H new ATOM 0 HD2 PHE A 32 6.318 -10.464 -0.904 1.00 0.88 H new ATOM 0 HE1 PHE A 32 10.622 -10.944 1.423 1.00 0.93 H new ATOM 0 HE2 PHE A 32 8.337 -9.464 -1.863 1.00 1.10 H new ATOM 0 HZ PHE A 32 10.499 -9.702 -0.703 1.00 1.08 H new ATOM 496 N LEU A 33 4.929 -8.831 2.001 1.00 0.51 N ATOM 497 CA LEU A 33 5.137 -7.385 1.932 1.00 0.53 C ATOM 498 C LEU A 33 4.760 -6.700 3.244 1.00 0.45 C ATOM 499 O LEU A 33 5.051 -5.520 3.436 1.00 0.44 O ATOM 500 CB LEU A 33 4.333 -6.774 0.777 1.00 0.60 C ATOM 501 CG LEU A 33 5.141 -6.414 -0.479 1.00 0.93 C ATOM 502 CD1 LEU A 33 6.294 -5.487 -0.131 1.00 0.92 C ATOM 503 CD2 LEU A 33 5.655 -7.662 -1.180 1.00 1.70 C ATOM 0 H LEU A 33 4.061 -9.147 1.568 1.00 0.51 H new ATOM 0 HA LEU A 33 6.200 -7.220 1.754 1.00 0.53 H new ATOM 0 HB2 LEU A 33 3.549 -7.476 0.493 1.00 0.60 H new ATOM 0 HB3 LEU A 33 3.839 -5.873 1.139 1.00 0.60 H new ATOM 0 HG LEU A 33 4.473 -5.893 -1.165 1.00 0.93 H new ATOM 0 HD11 LEU A 33 6.852 -5.245 -1.035 1.00 0.92 H new ATOM 0 HD12 LEU A 33 5.903 -4.570 0.310 1.00 0.92 H new ATOM 0 HD13 LEU A 33 6.955 -5.980 0.582 1.00 0.92 H new ATOM 0 HD21 LEU A 33 6.223 -7.375 -2.065 1.00 1.70 H new ATOM 0 HD22 LEU A 33 6.299 -8.221 -0.501 1.00 1.70 H new ATOM 0 HD23 LEU A 33 4.812 -8.286 -1.477 1.00 1.70 H new ATOM 515 N GLU A 34 4.120 -7.447 4.139 1.00 0.39 N ATOM 516 CA GLU A 34 3.596 -6.886 5.385 1.00 0.35 C ATOM 517 C GLU A 34 4.704 -6.207 6.215 1.00 0.35 C ATOM 518 O GLU A 34 4.596 -5.019 6.535 1.00 0.30 O ATOM 519 CB GLU A 34 2.906 -7.977 6.215 1.00 0.39 C ATOM 520 CG GLU A 34 2.279 -7.466 7.503 1.00 0.43 C ATOM 521 CD GLU A 34 1.950 -8.586 8.473 1.00 0.78 C ATOM 522 OE1 GLU A 34 0.980 -9.331 8.229 1.00 1.17 O ATOM 523 OE2 GLU A 34 2.676 -8.731 9.483 1.00 1.26 O ATOM 0 H GLU A 34 3.950 -8.446 4.026 1.00 0.39 H new ATOM 0 HA GLU A 34 2.864 -6.123 5.119 1.00 0.35 H new ATOM 0 HB2 GLU A 34 2.133 -8.448 5.608 1.00 0.39 H new ATOM 0 HB3 GLU A 34 3.635 -8.750 6.459 1.00 0.39 H new ATOM 0 HG2 GLU A 34 2.961 -6.764 7.982 1.00 0.43 H new ATOM 0 HG3 GLU A 34 1.369 -6.915 7.267 1.00 0.43 H new ATOM 530 N PRO A 35 5.799 -6.928 6.558 1.00 0.43 N ATOM 531 CA PRO A 35 6.887 -6.356 7.362 1.00 0.48 C ATOM 532 C PRO A 35 7.648 -5.261 6.619 1.00 0.45 C ATOM 533 O PRO A 35 8.251 -4.383 7.237 1.00 0.47 O ATOM 534 CB PRO A 35 7.800 -7.553 7.641 1.00 0.63 C ATOM 535 CG PRO A 35 7.522 -8.511 6.541 1.00 0.79 C ATOM 536 CD PRO A 35 6.069 -8.341 6.209 1.00 0.50 C ATOM 0 HA PRO A 35 6.512 -5.875 8.265 1.00 0.48 H new ATOM 0 HB2 PRO A 35 8.849 -7.256 7.650 1.00 0.63 H new ATOM 0 HB3 PRO A 35 7.585 -7.995 8.614 1.00 0.63 H new ATOM 0 HG2 PRO A 35 8.148 -8.303 5.674 1.00 0.79 H new ATOM 0 HG3 PRO A 35 7.735 -9.534 6.850 1.00 0.79 H new ATOM 0 HD2 PRO A 35 5.872 -8.539 5.155 1.00 0.50 H new ATOM 0 HD3 PRO A 35 5.443 -9.023 6.784 1.00 0.50 H new ATOM 544 N PHE A 36 7.614 -5.319 5.294 1.00 0.44 N ATOM 545 CA PHE A 36 8.300 -4.340 4.464 1.00 0.49 C ATOM 546 C PHE A 36 7.558 -3.010 4.483 1.00 0.39 C ATOM 547 O PHE A 36 8.171 -1.942 4.493 1.00 0.43 O ATOM 548 CB PHE A 36 8.421 -4.864 3.026 1.00 0.62 C ATOM 549 CG PHE A 36 9.267 -4.007 2.123 1.00 0.66 C ATOM 550 CD1 PHE A 36 10.647 -4.130 2.125 1.00 0.79 C ATOM 551 CD2 PHE A 36 8.681 -3.086 1.268 1.00 1.36 C ATOM 552 CE1 PHE A 36 11.428 -3.350 1.295 1.00 1.21 C ATOM 553 CE2 PHE A 36 9.457 -2.303 0.434 1.00 2.02 C ATOM 554 CZ PHE A 36 10.832 -2.436 0.448 1.00 1.87 C ATOM 0 H PHE A 36 7.116 -6.038 4.770 1.00 0.44 H new ATOM 0 HA PHE A 36 9.300 -4.180 4.866 1.00 0.49 H new ATOM 0 HB2 PHE A 36 8.842 -5.869 3.052 1.00 0.62 H new ATOM 0 HB3 PHE A 36 7.422 -4.948 2.597 1.00 0.62 H new ATOM 0 HD1 PHE A 36 11.118 -4.845 2.784 1.00 0.79 H new ATOM 0 HD2 PHE A 36 7.606 -2.979 1.253 1.00 1.36 H new ATOM 0 HE1 PHE A 36 12.503 -3.454 1.308 1.00 1.21 H new ATOM 0 HE2 PHE A 36 8.989 -1.589 -0.227 1.00 2.02 H new ATOM 0 HZ PHE A 36 11.441 -1.826 -0.203 1.00 1.87 H new ATOM 564 N LEU A 37 6.236 -3.090 4.508 1.00 0.30 N ATOM 565 CA LEU A 37 5.391 -1.905 4.476 1.00 0.29 C ATOM 566 C LEU A 37 5.247 -1.286 5.862 1.00 0.24 C ATOM 567 O LEU A 37 4.833 -0.135 5.993 1.00 0.27 O ATOM 568 CB LEU A 37 4.018 -2.266 3.909 1.00 0.31 C ATOM 569 CG LEU A 37 3.885 -2.191 2.379 1.00 0.57 C ATOM 570 CD1 LEU A 37 5.187 -2.557 1.681 1.00 0.90 C ATOM 571 CD2 LEU A 37 2.783 -3.120 1.914 1.00 1.18 C ATOM 0 H LEU A 37 5.722 -3.970 4.551 1.00 0.30 H new ATOM 0 HA LEU A 37 5.865 -1.164 3.832 1.00 0.29 H new ATOM 0 HB2 LEU A 37 3.769 -3.278 4.227 1.00 0.31 H new ATOM 0 HB3 LEU A 37 3.277 -1.601 4.352 1.00 0.31 H new ATOM 0 HG LEU A 37 3.641 -1.161 2.117 1.00 0.57 H new ATOM 0 HD11 LEU A 37 5.052 -2.492 0.601 1.00 0.90 H new ATOM 0 HD12 LEU A 37 5.972 -1.867 1.991 1.00 0.90 H new ATOM 0 HD13 LEU A 37 5.471 -3.574 1.950 1.00 0.90 H new ATOM 0 HD21 LEU A 37 2.693 -3.063 0.829 1.00 1.18 H new ATOM 0 HD22 LEU A 37 3.022 -4.143 2.205 1.00 1.18 H new ATOM 0 HD23 LEU A 37 1.840 -2.824 2.373 1.00 1.18 H new ATOM 583 N ARG A 38 5.567 -2.062 6.891 1.00 0.24 N ATOM 584 CA ARG A 38 5.553 -1.571 8.266 1.00 0.31 C ATOM 585 C ARG A 38 6.361 -0.279 8.417 1.00 0.30 C ATOM 586 O ARG A 38 7.591 -0.293 8.357 1.00 0.41 O ATOM 587 CB ARG A 38 6.126 -2.640 9.197 1.00 0.44 C ATOM 588 CG ARG A 38 6.116 -2.246 10.665 1.00 0.82 C ATOM 589 CD ARG A 38 7.145 -3.040 11.453 1.00 1.06 C ATOM 590 NE ARG A 38 8.509 -2.693 11.053 1.00 2.16 N ATOM 591 CZ ARG A 38 9.375 -3.544 10.502 1.00 2.73 C ATOM 592 NH1 ARG A 38 9.035 -4.811 10.301 1.00 2.36 N ATOM 593 NH2 ARG A 38 10.585 -3.122 10.153 1.00 3.90 N ATOM 0 H ARG A 38 5.841 -3.040 6.799 1.00 0.24 H new ATOM 0 HA ARG A 38 4.518 -1.354 8.532 1.00 0.31 H new ATOM 0 HB2 ARG A 38 5.554 -3.560 9.074 1.00 0.44 H new ATOM 0 HB3 ARG A 38 7.151 -2.859 8.896 1.00 0.44 H new ATOM 0 HG2 ARG A 38 6.324 -1.180 10.760 1.00 0.82 H new ATOM 0 HG3 ARG A 38 5.124 -2.415 11.083 1.00 0.82 H new ATOM 0 HD2 ARG A 38 7.017 -2.848 12.518 1.00 1.06 H new ATOM 0 HD3 ARG A 38 6.979 -4.106 11.299 1.00 1.06 H new ATOM 0 HE ARG A 38 8.819 -1.733 11.206 1.00 2.16 H new ATOM 0 HH11 ARG A 38 8.107 -5.139 10.568 1.00 2.36 H new ATOM 0 HH12 ARG A 38 9.702 -5.457 9.879 1.00 2.36 H new ATOM 0 HH21 ARG A 38 10.850 -2.149 10.307 1.00 3.90 H new ATOM 0 HH22 ARG A 38 11.249 -3.771 9.731 1.00 3.90 H new ATOM 607 N GLY A 39 5.655 0.831 8.597 1.00 0.28 N ATOM 608 CA GLY A 39 6.304 2.094 8.885 1.00 0.31 C ATOM 609 C GLY A 39 6.692 2.866 7.641 1.00 0.28 C ATOM 610 O GLY A 39 7.692 3.584 7.643 1.00 0.35 O ATOM 0 H GLY A 39 4.637 0.877 8.548 1.00 0.28 H new ATOM 0 HA2 GLY A 39 5.637 2.707 9.491 1.00 0.31 H new ATOM 0 HA3 GLY A 39 7.197 1.908 9.482 1.00 0.31 H new ATOM 614 N ILE A 40 5.904 2.742 6.580 1.00 0.24 N ATOM 615 CA ILE A 40 6.202 3.473 5.347 1.00 0.22 C ATOM 616 C ILE A 40 5.146 4.538 5.098 1.00 0.21 C ATOM 617 O ILE A 40 4.161 4.621 5.823 1.00 0.21 O ATOM 618 CB ILE A 40 6.295 2.556 4.102 1.00 0.21 C ATOM 619 CG1 ILE A 40 4.925 1.968 3.748 1.00 0.18 C ATOM 620 CG2 ILE A 40 7.319 1.452 4.334 1.00 0.21 C ATOM 621 CD1 ILE A 40 4.886 1.257 2.410 1.00 0.19 C ATOM 0 H ILE A 40 5.070 2.156 6.543 1.00 0.24 H new ATOM 0 HA ILE A 40 7.181 3.929 5.493 1.00 0.22 H new ATOM 0 HB ILE A 40 6.624 3.159 3.256 1.00 0.21 H new ATOM 0 HG12 ILE A 40 4.629 1.267 4.529 1.00 0.18 H new ATOM 0 HG13 ILE A 40 4.187 2.770 3.743 1.00 0.18 H new ATOM 0 HG21 ILE A 40 7.374 0.815 3.451 1.00 0.21 H new ATOM 0 HG22 ILE A 40 8.296 1.896 4.522 1.00 0.21 H new ATOM 0 HG23 ILE A 40 7.020 0.854 5.195 1.00 0.21 H new ATOM 0 HD11 ILE A 40 3.883 0.869 2.233 1.00 0.19 H new ATOM 0 HD12 ILE A 40 5.149 1.958 1.618 1.00 0.19 H new ATOM 0 HD13 ILE A 40 5.598 0.432 2.416 1.00 0.19 H new ATOM 633 N ASN A 41 5.356 5.356 4.080 1.00 0.21 N ATOM 634 CA ASN A 41 4.376 6.365 3.707 1.00 0.20 C ATOM 635 C ASN A 41 4.062 6.234 2.231 1.00 0.16 C ATOM 636 O ASN A 41 4.970 6.119 1.406 1.00 0.18 O ATOM 637 CB ASN A 41 4.893 7.778 4.003 1.00 0.29 C ATOM 638 CG ASN A 41 5.204 8.007 5.471 1.00 0.99 C ATOM 639 OD1 ASN A 41 4.329 8.376 6.253 1.00 2.00 O ATOM 640 ND2 ASN A 41 6.458 7.808 5.849 1.00 1.23 N ATOM 0 H ASN A 41 6.194 5.342 3.498 1.00 0.21 H new ATOM 0 HA ASN A 41 3.473 6.206 4.297 1.00 0.20 H new ATOM 0 HB2 ASN A 41 5.793 7.959 3.415 1.00 0.29 H new ATOM 0 HB3 ASN A 41 4.149 8.505 3.678 1.00 0.29 H new ATOM 0 HD21 ASN A 41 6.728 7.961 6.821 1.00 1.23 H new ATOM 0 HD22 ASN A 41 7.153 7.502 5.168 1.00 1.23 H new ATOM 647 N VAL A 42 2.785 6.256 1.900 1.00 0.13 N ATOM 648 CA VAL A 42 2.358 6.130 0.519 1.00 0.14 C ATOM 649 C VAL A 42 1.325 7.192 0.181 1.00 0.15 C ATOM 650 O VAL A 42 0.545 7.616 1.032 1.00 0.18 O ATOM 651 CB VAL A 42 1.767 4.731 0.218 1.00 0.16 C ATOM 652 CG1 VAL A 42 2.839 3.656 0.306 1.00 0.17 C ATOM 653 CG2 VAL A 42 0.611 4.414 1.159 1.00 0.19 C ATOM 0 H VAL A 42 2.023 6.360 2.570 1.00 0.13 H new ATOM 0 HA VAL A 42 3.245 6.266 -0.100 1.00 0.14 H new ATOM 0 HB VAL A 42 1.382 4.744 -0.802 1.00 0.16 H new ATOM 0 HG11 VAL A 42 2.397 2.683 0.090 1.00 0.17 H new ATOM 0 HG12 VAL A 42 3.625 3.866 -0.419 1.00 0.17 H new ATOM 0 HG13 VAL A 42 3.264 3.647 1.310 1.00 0.17 H new ATOM 0 HG21 VAL A 42 0.213 3.426 0.927 1.00 0.19 H new ATOM 0 HG22 VAL A 42 0.966 4.429 2.189 1.00 0.19 H new ATOM 0 HG23 VAL A 42 -0.174 5.160 1.035 1.00 0.19 H new ATOM 663 N VAL A 43 1.337 7.620 -1.062 1.00 0.18 N ATOM 664 CA VAL A 43 0.370 8.575 -1.551 1.00 0.22 C ATOM 665 C VAL A 43 -0.841 7.825 -2.083 1.00 0.20 C ATOM 666 O VAL A 43 -0.779 7.205 -3.146 1.00 0.20 O ATOM 667 CB VAL A 43 0.962 9.453 -2.673 1.00 0.28 C ATOM 668 CG1 VAL A 43 -0.022 10.533 -3.097 1.00 0.88 C ATOM 669 CG2 VAL A 43 2.283 10.069 -2.238 1.00 0.75 C ATOM 0 H VAL A 43 2.016 7.316 -1.760 1.00 0.18 H new ATOM 0 HA VAL A 43 0.083 9.228 -0.727 1.00 0.22 H new ATOM 0 HB VAL A 43 1.152 8.813 -3.535 1.00 0.28 H new ATOM 0 HG11 VAL A 43 0.420 11.138 -3.889 1.00 0.88 H new ATOM 0 HG12 VAL A 43 -0.937 10.068 -3.464 1.00 0.88 H new ATOM 0 HG13 VAL A 43 -0.255 11.168 -2.243 1.00 0.88 H new ATOM 0 HG21 VAL A 43 2.681 10.684 -3.045 1.00 0.75 H new ATOM 0 HG22 VAL A 43 2.123 10.688 -1.356 1.00 0.75 H new ATOM 0 HG23 VAL A 43 2.993 9.277 -2.001 1.00 0.75 H new ATOM 679 N TYR A 44 -1.931 7.868 -1.338 1.00 0.21 N ATOM 680 CA TYR A 44 -3.139 7.162 -1.726 1.00 0.22 C ATOM 681 C TYR A 44 -4.000 8.044 -2.607 1.00 0.22 C ATOM 682 O TYR A 44 -4.462 9.104 -2.186 1.00 0.24 O ATOM 683 CB TYR A 44 -3.925 6.711 -0.488 1.00 0.27 C ATOM 684 CG TYR A 44 -5.364 6.316 -0.775 1.00 0.32 C ATOM 685 CD1 TYR A 44 -5.652 5.270 -1.644 1.00 0.39 C ATOM 686 CD2 TYR A 44 -6.432 6.981 -0.179 1.00 0.42 C ATOM 687 CE1 TYR A 44 -6.955 4.900 -1.913 1.00 0.47 C ATOM 688 CE2 TYR A 44 -7.739 6.613 -0.442 1.00 0.50 C ATOM 689 CZ TYR A 44 -8.009 5.612 -1.291 1.00 0.50 C ATOM 690 OH TYR A 44 -9.294 5.200 -1.572 1.00 0.59 O ATOM 0 H TYR A 44 -2.005 8.384 -0.461 1.00 0.21 H new ATOM 0 HA TYR A 44 -2.854 6.274 -2.291 1.00 0.22 H new ATOM 0 HB2 TYR A 44 -3.411 5.864 -0.034 1.00 0.27 H new ATOM 0 HB3 TYR A 44 -3.920 7.517 0.245 1.00 0.27 H new ATOM 0 HD1 TYR A 44 -4.841 4.736 -2.118 1.00 0.39 H new ATOM 0 HD2 TYR A 44 -6.237 7.798 0.500 1.00 0.42 H new ATOM 0 HE1 TYR A 44 -7.166 4.082 -2.586 1.00 0.47 H new ATOM 0 HE2 TYR A 44 -8.550 7.137 0.042 1.00 0.50 H new ATOM 0 HH TYR A 44 -9.932 5.764 -1.086 1.00 0.59 H new ATOM 700 N THR A 45 -4.189 7.610 -3.838 1.00 0.24 N ATOM 701 CA THR A 45 -5.020 8.331 -4.773 1.00 0.28 C ATOM 702 C THR A 45 -6.384 7.662 -4.862 1.00 0.28 C ATOM 703 O THR A 45 -6.519 6.586 -5.444 1.00 0.30 O ATOM 704 CB THR A 45 -4.369 8.376 -6.168 1.00 0.36 C ATOM 705 OG1 THR A 45 -2.994 8.774 -6.049 1.00 1.08 O ATOM 706 CG2 THR A 45 -5.102 9.347 -7.081 1.00 1.10 C ATOM 0 H THR A 45 -3.774 6.757 -4.212 1.00 0.24 H new ATOM 0 HA THR A 45 -5.135 9.355 -4.417 1.00 0.28 H new ATOM 0 HB THR A 45 -4.428 7.379 -6.605 1.00 0.36 H new ATOM 0 HG1 THR A 45 -2.583 8.800 -6.938 1.00 1.08 H new ATOM 0 HG21 THR A 45 -4.622 9.359 -8.059 1.00 1.10 H new ATOM 0 HG22 THR A 45 -6.140 9.031 -7.190 1.00 1.10 H new ATOM 0 HG23 THR A 45 -5.071 10.347 -6.649 1.00 1.10 H new ATOM 714 N PRO A 46 -7.406 8.276 -4.259 1.00 0.31 N ATOM 715 CA PRO A 46 -8.766 7.753 -4.301 1.00 0.35 C ATOM 716 C PRO A 46 -9.346 7.862 -5.701 1.00 0.38 C ATOM 717 O PRO A 46 -9.239 8.913 -6.336 1.00 0.38 O ATOM 718 CB PRO A 46 -9.541 8.652 -3.324 1.00 0.40 C ATOM 719 CG PRO A 46 -8.501 9.412 -2.570 1.00 0.47 C ATOM 720 CD PRO A 46 -7.326 9.523 -3.493 1.00 0.37 C ATOM 0 HA PRO A 46 -8.815 6.697 -4.034 1.00 0.35 H new ATOM 0 HB2 PRO A 46 -10.210 9.327 -3.858 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -10.159 8.058 -2.650 1.00 0.40 H new ATOM 0 HG2 PRO A 46 -8.868 10.398 -2.284 1.00 0.47 H new ATOM 0 HG3 PRO A 46 -8.228 8.894 -1.650 1.00 0.47 H new ATOM 0 HD2 PRO A 46 -7.397 10.400 -4.137 1.00 0.37 H new ATOM 0 HD3 PRO A 46 -6.387 9.604 -2.946 1.00 0.37 H new ATOM 728 N PRO A 47 -9.940 6.765 -6.205 1.00 0.45 N ATOM 729 CA PRO A 47 -10.595 6.742 -7.514 1.00 0.56 C ATOM 730 C PRO A 47 -11.503 7.949 -7.707 1.00 0.59 C ATOM 731 O PRO A 47 -12.118 8.433 -6.757 1.00 0.56 O ATOM 732 CB PRO A 47 -11.413 5.453 -7.470 1.00 0.62 C ATOM 733 CG PRO A 47 -10.657 4.557 -6.553 1.00 0.55 C ATOM 734 CD PRO A 47 -9.999 5.452 -5.536 1.00 0.49 C ATOM 0 HA PRO A 47 -9.885 6.779 -8.340 1.00 0.56 H new ATOM 0 HB2 PRO A 47 -12.422 5.637 -7.101 1.00 0.62 H new ATOM 0 HB3 PRO A 47 -11.511 5.012 -8.462 1.00 0.62 H new ATOM 0 HG2 PRO A 47 -11.324 3.843 -6.069 1.00 0.55 H new ATOM 0 HG3 PRO A 47 -9.913 3.978 -7.101 1.00 0.55 H new ATOM 0 HD2 PRO A 47 -10.576 5.500 -4.613 1.00 0.49 H new ATOM 0 HD3 PRO A 47 -9.004 5.093 -5.272 1.00 0.49 H new ATOM 742 N GLN A 48 -11.571 8.427 -8.943 1.00 0.70 N ATOM 743 CA GLN A 48 -12.258 9.675 -9.269 1.00 0.79 C ATOM 744 C GLN A 48 -13.726 9.674 -8.843 1.00 0.77 C ATOM 745 O GLN A 48 -14.320 10.734 -8.668 1.00 0.83 O ATOM 746 CB GLN A 48 -12.153 9.954 -10.767 1.00 0.96 C ATOM 747 CG GLN A 48 -10.718 10.091 -11.258 1.00 1.50 C ATOM 748 CD GLN A 48 -10.636 10.440 -12.730 1.00 1.79 C ATOM 749 OE1 GLN A 48 -9.698 10.040 -13.426 1.00 2.22 O ATOM 750 NE2 GLN A 48 -11.600 11.207 -13.210 1.00 2.18 N ATOM 0 H GLN A 48 -11.152 7.962 -9.749 1.00 0.70 H new ATOM 0 HA GLN A 48 -11.762 10.465 -8.706 1.00 0.79 H new ATOM 0 HB2 GLN A 48 -12.641 9.147 -11.314 1.00 0.96 H new ATOM 0 HB3 GLN A 48 -12.697 10.870 -10.997 1.00 0.96 H new ATOM 0 HG2 GLN A 48 -10.211 10.862 -10.677 1.00 1.50 H new ATOM 0 HG3 GLN A 48 -10.186 9.156 -11.080 1.00 1.50 H new ATOM 0 HE21 GLN A 48 -12.357 11.516 -12.600 1.00 2.18 H new ATOM 0 HE22 GLN A 48 -11.586 11.490 -14.190 1.00 2.18 H new ATOM 759 N SER A 49 -14.309 8.493 -8.681 1.00 0.72 N ATOM 760 CA SER A 49 -15.694 8.385 -8.243 1.00 0.74 C ATOM 761 C SER A 49 -15.812 8.652 -6.738 1.00 0.71 C ATOM 762 O SER A 49 -16.893 8.945 -6.228 1.00 0.78 O ATOM 763 CB SER A 49 -16.248 7.005 -8.592 1.00 0.77 C ATOM 764 OG SER A 49 -17.646 6.939 -8.368 1.00 1.75 O ATOM 0 H SER A 49 -13.846 7.599 -8.846 1.00 0.72 H new ATOM 0 HA SER A 49 -16.283 9.140 -8.764 1.00 0.74 H new ATOM 0 HB2 SER A 49 -16.034 6.778 -9.636 1.00 0.77 H new ATOM 0 HB3 SER A 49 -15.745 6.247 -7.992 1.00 0.77 H new ATOM 0 HG SER A 49 -17.839 6.240 -7.708 1.00 1.75 H new ATOM 770 N PHE A 50 -14.689 8.561 -6.031 1.00 0.65 N ATOM 771 CA PHE A 50 -14.653 8.872 -4.608 1.00 0.64 C ATOM 772 C PHE A 50 -14.756 10.371 -4.388 1.00 0.71 C ATOM 773 O PHE A 50 -15.357 10.818 -3.412 1.00 0.77 O ATOM 774 CB PHE A 50 -13.360 8.364 -3.963 1.00 0.57 C ATOM 775 CG PHE A 50 -13.477 7.015 -3.319 1.00 0.53 C ATOM 776 CD1 PHE A 50 -13.899 6.901 -2.003 1.00 0.59 C ATOM 777 CD2 PHE A 50 -13.152 5.865 -4.016 1.00 0.60 C ATOM 778 CE1 PHE A 50 -13.995 5.665 -1.397 1.00 0.66 C ATOM 779 CE2 PHE A 50 -13.248 4.626 -3.415 1.00 0.68 C ATOM 780 CZ PHE A 50 -13.670 4.526 -2.103 1.00 0.68 C ATOM 0 H PHE A 50 -13.792 8.274 -6.422 1.00 0.65 H new ATOM 0 HA PHE A 50 -15.503 8.372 -4.144 1.00 0.64 H new ATOM 0 HB2 PHE A 50 -12.581 8.323 -4.724 1.00 0.57 H new ATOM 0 HB3 PHE A 50 -13.035 9.085 -3.212 1.00 0.57 H new ATOM 0 HD1 PHE A 50 -14.156 7.790 -1.446 1.00 0.59 H new ATOM 0 HD2 PHE A 50 -12.820 5.937 -5.041 1.00 0.60 H new ATOM 0 HE1 PHE A 50 -14.324 5.590 -0.371 1.00 0.66 H new ATOM 0 HE2 PHE A 50 -12.993 3.735 -3.970 1.00 0.68 H new ATOM 0 HZ PHE A 50 -13.745 3.557 -1.631 1.00 0.68 H new ATOM 790 N GLN A 51 -14.152 11.136 -5.298 1.00 0.72 N ATOM 791 CA GLN A 51 -14.104 12.590 -5.189 1.00 0.79 C ATOM 792 C GLN A 51 -13.412 12.994 -3.894 1.00 0.66 C ATOM 793 O GLN A 51 -13.860 13.888 -3.174 1.00 0.83 O ATOM 794 CB GLN A 51 -15.508 13.199 -5.286 1.00 1.07 C ATOM 795 CG GLN A 51 -16.202 12.912 -6.614 1.00 1.23 C ATOM 796 CD GLN A 51 -15.542 13.607 -7.796 1.00 1.98 C ATOM 797 OE1 GLN A 51 -14.341 13.884 -7.789 1.00 2.73 O ATOM 798 NE2 GLN A 51 -16.320 13.867 -8.833 1.00 2.45 N ATOM 0 H GLN A 51 -13.685 10.766 -6.126 1.00 0.72 H new ATOM 0 HA GLN A 51 -13.524 12.982 -6.025 1.00 0.79 H new ATOM 0 HB2 GLN A 51 -16.121 12.811 -4.473 1.00 1.07 H new ATOM 0 HB3 GLN A 51 -15.439 14.278 -5.146 1.00 1.07 H new ATOM 0 HG2 GLN A 51 -16.207 11.836 -6.789 1.00 1.23 H new ATOM 0 HG3 GLN A 51 -17.243 13.229 -6.549 1.00 1.23 H new ATOM 0 HE21 GLN A 51 -17.310 13.623 -8.802 1.00 2.45 H new ATOM 0 HE22 GLN A 51 -15.930 14.312 -9.664 1.00 2.45 H new ATOM 807 N SER A 52 -12.319 12.300 -3.607 1.00 0.53 N ATOM 808 CA SER A 52 -11.521 12.559 -2.425 1.00 0.50 C ATOM 809 C SER A 52 -10.094 12.903 -2.842 1.00 0.42 C ATOM 810 O SER A 52 -9.596 12.394 -3.851 1.00 0.44 O ATOM 811 CB SER A 52 -11.538 11.328 -1.511 1.00 0.55 C ATOM 812 OG SER A 52 -10.947 11.600 -0.252 1.00 1.21 O ATOM 0 H SER A 52 -11.964 11.542 -4.190 1.00 0.53 H new ATOM 0 HA SER A 52 -11.938 13.403 -1.875 1.00 0.50 H new ATOM 0 HB2 SER A 52 -12.566 10.997 -1.366 1.00 0.55 H new ATOM 0 HB3 SER A 52 -11.005 10.509 -1.994 1.00 0.55 H new ATOM 0 HG SER A 52 -10.977 10.794 0.304 1.00 1.21 H new ATOM 818 N ALA A 53 -9.450 13.769 -2.072 1.00 0.48 N ATOM 819 CA ALA A 53 -8.109 14.240 -2.392 1.00 0.52 C ATOM 820 C ALA A 53 -7.059 13.187 -2.047 1.00 0.41 C ATOM 821 O ALA A 53 -7.128 12.557 -0.991 1.00 0.44 O ATOM 822 CB ALA A 53 -7.825 15.536 -1.646 1.00 0.73 C ATOM 0 H ALA A 53 -9.838 14.162 -1.215 1.00 0.48 H new ATOM 0 HA ALA A 53 -8.056 14.425 -3.465 1.00 0.52 H new ATOM 0 HB1 ALA A 53 -6.821 15.883 -1.889 1.00 0.73 H new ATOM 0 HB2 ALA A 53 -8.552 16.293 -1.941 1.00 0.73 H new ATOM 0 HB3 ALA A 53 -7.898 15.362 -0.573 1.00 0.73 H new ATOM 828 N PRO A 54 -6.084 12.976 -2.946 1.00 0.39 N ATOM 829 CA PRO A 54 -4.970 12.059 -2.704 1.00 0.32 C ATOM 830 C PRO A 54 -4.188 12.443 -1.453 1.00 0.29 C ATOM 831 O PRO A 54 -3.569 13.508 -1.390 1.00 0.36 O ATOM 832 CB PRO A 54 -4.093 12.192 -3.956 1.00 0.39 C ATOM 833 CG PRO A 54 -4.551 13.440 -4.634 1.00 0.52 C ATOM 834 CD PRO A 54 -5.999 13.606 -4.271 1.00 0.52 C ATOM 0 HA PRO A 54 -5.312 11.038 -2.534 1.00 0.32 H new ATOM 0 HB2 PRO A 54 -3.038 12.254 -3.691 1.00 0.39 H new ATOM 0 HB3 PRO A 54 -4.207 11.326 -4.609 1.00 0.39 H new ATOM 0 HG2 PRO A 54 -3.966 14.299 -4.305 1.00 0.52 H new ATOM 0 HG3 PRO A 54 -4.427 13.364 -5.714 1.00 0.52 H new ATOM 0 HD2 PRO A 54 -6.288 14.656 -4.237 1.00 0.52 H new ATOM 0 HD3 PRO A 54 -6.654 13.118 -4.992 1.00 0.52 H new ATOM 842 N ARG A 55 -4.222 11.571 -0.460 1.00 0.26 N ATOM 843 CA ARG A 55 -3.613 11.853 0.829 1.00 0.31 C ATOM 844 C ARG A 55 -2.452 10.899 1.086 1.00 0.24 C ATOM 845 O ARG A 55 -2.520 9.720 0.737 1.00 0.20 O ATOM 846 CB ARG A 55 -4.664 11.698 1.933 1.00 0.42 C ATOM 847 CG ARG A 55 -4.215 12.183 3.306 1.00 1.13 C ATOM 848 CD ARG A 55 -4.481 13.670 3.501 1.00 1.35 C ATOM 849 NE ARG A 55 -3.634 14.516 2.662 1.00 2.05 N ATOM 850 CZ ARG A 55 -4.035 15.661 2.115 1.00 2.41 C ATOM 851 NH1 ARG A 55 -5.284 16.072 2.277 1.00 2.30 N ATOM 852 NH2 ARG A 55 -3.180 16.400 1.422 1.00 3.34 N ATOM 0 H ARG A 55 -4.668 10.656 -0.523 1.00 0.26 H new ATOM 0 HA ARG A 55 -3.232 12.874 0.827 1.00 0.31 H new ATOM 0 HB2 ARG A 55 -5.560 12.246 1.643 1.00 0.42 H new ATOM 0 HB3 ARG A 55 -4.943 10.647 2.006 1.00 0.42 H new ATOM 0 HG2 ARG A 55 -4.736 11.617 4.079 1.00 1.13 H new ATOM 0 HG3 ARG A 55 -3.150 11.986 3.430 1.00 1.13 H new ATOM 0 HD2 ARG A 55 -5.527 13.879 3.279 1.00 1.35 H new ATOM 0 HD3 ARG A 55 -4.320 13.928 4.548 1.00 1.35 H new ATOM 0 HE ARG A 55 -2.677 14.210 2.485 1.00 2.05 H new ATOM 0 HH11 ARG A 55 -5.939 15.511 2.821 1.00 2.30 H new ATOM 0 HH12 ARG A 55 -5.591 16.950 1.857 1.00 2.30 H new ATOM 0 HH21 ARG A 55 -2.215 16.091 1.308 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -3.488 17.278 1.003 1.00 3.34 H new ATOM 866 N VAL A 56 -1.390 11.407 1.691 1.00 0.26 N ATOM 867 CA VAL A 56 -0.271 10.571 2.081 1.00 0.24 C ATOM 868 C VAL A 56 -0.582 9.885 3.400 1.00 0.22 C ATOM 869 O VAL A 56 -0.828 10.540 4.415 1.00 0.25 O ATOM 870 CB VAL A 56 1.036 11.381 2.216 1.00 0.29 C ATOM 871 CG1 VAL A 56 2.179 10.500 2.699 1.00 1.48 C ATOM 872 CG2 VAL A 56 1.399 12.031 0.893 1.00 1.32 C ATOM 0 H VAL A 56 -1.281 12.395 1.922 1.00 0.26 H new ATOM 0 HA VAL A 56 -0.123 9.829 1.296 1.00 0.24 H new ATOM 0 HB VAL A 56 0.870 12.162 2.958 1.00 0.29 H new ATOM 0 HG11 VAL A 56 3.087 11.097 2.785 1.00 1.48 H new ATOM 0 HG12 VAL A 56 1.928 10.079 3.673 1.00 1.48 H new ATOM 0 HG13 VAL A 56 2.342 9.692 1.986 1.00 1.48 H new ATOM 0 HG21 VAL A 56 2.323 12.598 1.007 1.00 1.32 H new ATOM 0 HG22 VAL A 56 1.538 11.260 0.135 1.00 1.32 H new ATOM 0 HG23 VAL A 56 0.597 12.702 0.585 1.00 1.32 H new ATOM 882 N TYR A 57 -0.593 8.568 3.377 1.00 0.22 N ATOM 883 CA TYR A 57 -0.905 7.790 4.557 1.00 0.25 C ATOM 884 C TYR A 57 0.299 6.978 5.001 1.00 0.25 C ATOM 885 O TYR A 57 1.109 6.547 4.178 1.00 0.27 O ATOM 886 CB TYR A 57 -2.098 6.874 4.297 1.00 0.27 C ATOM 887 CG TYR A 57 -3.414 7.612 4.223 1.00 0.31 C ATOM 888 CD1 TYR A 57 -3.793 8.482 5.236 1.00 0.44 C ATOM 889 CD2 TYR A 57 -4.281 7.429 3.155 1.00 0.40 C ATOM 890 CE1 TYR A 57 -5.000 9.151 5.188 1.00 0.49 C ATOM 891 CE2 TYR A 57 -5.490 8.097 3.096 1.00 0.47 C ATOM 892 CZ TYR A 57 -5.844 8.955 4.117 1.00 0.46 C ATOM 893 OH TYR A 57 -7.050 9.619 4.072 1.00 0.54 O ATOM 0 H TYR A 57 -0.388 8.011 2.547 1.00 0.22 H new ATOM 0 HA TYR A 57 -1.167 8.481 5.358 1.00 0.25 H new ATOM 0 HB2 TYR A 57 -1.938 6.337 3.362 1.00 0.27 H new ATOM 0 HB3 TYR A 57 -2.153 6.127 5.089 1.00 0.27 H new ATOM 0 HD1 TYR A 57 -3.133 8.638 6.076 1.00 0.44 H new ATOM 0 HD2 TYR A 57 -4.007 6.754 2.357 1.00 0.40 H new ATOM 0 HE1 TYR A 57 -5.281 9.824 5.985 1.00 0.49 H new ATOM 0 HE2 TYR A 57 -6.153 7.948 2.256 1.00 0.47 H new ATOM 0 HH TYR A 57 -7.528 9.374 3.252 1.00 0.54 H new ATOM 903 N ARG A 58 0.415 6.777 6.305 1.00 0.27 N ATOM 904 CA ARG A 58 1.493 5.974 6.848 1.00 0.31 C ATOM 905 C ARG A 58 1.015 4.548 7.065 1.00 0.27 C ATOM 906 O ARG A 58 0.037 4.307 7.778 1.00 0.31 O ATOM 907 CB ARG A 58 2.033 6.564 8.155 1.00 0.42 C ATOM 908 CG ARG A 58 2.918 5.597 8.924 1.00 0.55 C ATOM 909 CD ARG A 58 3.914 6.318 9.811 1.00 1.11 C ATOM 910 NE ARG A 58 4.528 5.409 10.778 1.00 1.70 N ATOM 911 CZ ARG A 58 5.838 5.337 11.021 1.00 2.56 C ATOM 912 NH1 ARG A 58 6.688 6.112 10.357 1.00 3.09 N ATOM 913 NH2 ARG A 58 6.297 4.486 11.931 1.00 3.26 N ATOM 0 H ARG A 58 -0.224 7.159 7.003 1.00 0.27 H new ATOM 0 HA ARG A 58 2.311 5.973 6.128 1.00 0.31 H new ATOM 0 HB2 ARG A 58 2.600 7.468 7.932 1.00 0.42 H new ATOM 0 HB3 ARG A 58 1.195 6.861 8.786 1.00 0.42 H new ATOM 0 HG2 ARG A 58 2.295 4.944 9.535 1.00 0.55 H new ATOM 0 HG3 ARG A 58 3.454 4.960 8.221 1.00 0.55 H new ATOM 0 HD2 ARG A 58 4.689 6.772 9.194 1.00 1.11 H new ATOM 0 HD3 ARG A 58 3.412 7.128 10.340 1.00 1.11 H new ATOM 0 HE ARG A 58 3.913 4.787 11.303 1.00 1.70 H new ATOM 0 HH11 ARG A 58 6.340 6.767 9.657 1.00 3.09 H new ATOM 0 HH12 ARG A 58 7.688 6.052 10.547 1.00 3.09 H new ATOM 0 HH21 ARG A 58 5.648 3.888 12.443 1.00 3.26 H new ATOM 0 HH22 ARG A 58 7.298 4.430 12.118 1.00 3.26 H new ATOM 927 N VAL A 59 1.694 3.618 6.424 1.00 0.25 N ATOM 928 CA VAL A 59 1.367 2.213 6.536 1.00 0.25 C ATOM 929 C VAL A 59 1.901 1.642 7.832 1.00 0.25 C ATOM 930 O VAL A 59 3.119 1.624 8.053 1.00 0.26 O ATOM 931 CB VAL A 59 1.952 1.398 5.370 1.00 0.31 C ATOM 932 CG1 VAL A 59 1.694 -0.085 5.570 1.00 0.45 C ATOM 933 CG2 VAL A 59 1.376 1.858 4.048 1.00 0.36 C ATOM 0 H VAL A 59 2.486 3.815 5.812 1.00 0.25 H new ATOM 0 HA VAL A 59 0.280 2.141 6.512 1.00 0.25 H new ATOM 0 HB VAL A 59 3.029 1.563 5.351 1.00 0.31 H new ATOM 0 HG11 VAL A 59 2.116 -0.644 4.734 1.00 0.45 H new ATOM 0 HG12 VAL A 59 2.161 -0.414 6.499 1.00 0.45 H new ATOM 0 HG13 VAL A 59 0.620 -0.264 5.621 1.00 0.45 H new ATOM 0 HG21 VAL A 59 1.805 1.267 3.239 1.00 0.36 H new ATOM 0 HG22 VAL A 59 0.294 1.728 4.058 1.00 0.36 H new ATOM 0 HG23 VAL A 59 1.614 2.910 3.894 1.00 0.36 H new ATOM 943 N ASN A 60 0.988 1.200 8.687 1.00 0.28 N ATOM 944 CA ASN A 60 1.358 0.449 9.872 1.00 0.32 C ATOM 945 C ASN A 60 1.539 -1.007 9.483 1.00 0.32 C ATOM 946 O ASN A 60 2.373 -1.718 10.045 1.00 0.37 O ATOM 947 CB ASN A 60 0.292 0.590 10.966 1.00 0.41 C ATOM 948 CG ASN A 60 0.688 -0.099 12.262 1.00 1.12 C ATOM 949 OD1 ASN A 60 1.397 0.474 13.089 1.00 1.92 O ATOM 950 ND2 ASN A 60 0.214 -1.321 12.465 1.00 1.68 N ATOM 0 H ASN A 60 -0.015 1.351 8.579 1.00 0.28 H new ATOM 0 HA ASN A 60 2.291 0.842 10.276 1.00 0.32 H new ATOM 0 HB2 ASN A 60 0.115 1.648 11.161 1.00 0.41 H new ATOM 0 HB3 ASN A 60 -0.648 0.170 10.608 1.00 0.41 H new ATOM 0 HD21 ASN A 60 0.434 -1.816 13.329 1.00 1.68 H new ATOM 0 HD22 ASN A 60 -0.371 -1.765 11.757 1.00 1.68 H new ATOM 957 N GLY A 61 0.755 -1.439 8.498 1.00 0.40 N ATOM 958 CA GLY A 61 0.921 -2.771 7.956 1.00 0.47 C ATOM 959 C GLY A 61 -0.197 -3.161 7.015 1.00 0.43 C ATOM 960 O GLY A 61 -0.872 -2.298 6.450 1.00 0.43 O ATOM 0 H GLY A 61 0.011 -0.890 8.069 1.00 0.40 H new ATOM 0 HA2 GLY A 61 1.872 -2.828 7.427 1.00 0.47 H new ATOM 0 HA3 GLY A 61 0.968 -3.489 8.775 1.00 0.47 H new ATOM 964 N LEU A 62 -0.398 -4.461 6.856 1.00 0.41 N ATOM 965 CA LEU A 62 -1.430 -4.988 5.977 1.00 0.38 C ATOM 966 C LEU A 62 -2.412 -5.827 6.781 1.00 0.38 C ATOM 967 O LEU A 62 -2.036 -6.462 7.764 1.00 0.42 O ATOM 968 CB LEU A 62 -0.803 -5.852 4.877 1.00 0.39 C ATOM 969 CG LEU A 62 -0.223 -5.086 3.686 1.00 0.45 C ATOM 970 CD1 LEU A 62 0.772 -5.952 2.938 1.00 0.43 C ATOM 971 CD2 LEU A 62 -1.331 -4.657 2.741 1.00 0.55 C ATOM 0 H LEU A 62 0.149 -5.178 7.332 1.00 0.41 H new ATOM 0 HA LEU A 62 -1.956 -4.152 5.516 1.00 0.38 H new ATOM 0 HB2 LEU A 62 -0.010 -6.454 5.320 1.00 0.39 H new ATOM 0 HB3 LEU A 62 -1.560 -6.544 4.508 1.00 0.39 H new ATOM 0 HG LEU A 62 0.286 -4.200 4.065 1.00 0.45 H new ATOM 0 HD11 LEU A 62 1.177 -5.395 2.093 1.00 0.43 H new ATOM 0 HD12 LEU A 62 1.584 -6.235 3.608 1.00 0.43 H new ATOM 0 HD13 LEU A 62 0.272 -6.850 2.574 1.00 0.43 H new ATOM 0 HD21 LEU A 62 -0.901 -4.113 1.899 1.00 0.55 H new ATOM 0 HD22 LEU A 62 -1.857 -5.538 2.373 1.00 0.55 H new ATOM 0 HD23 LEU A 62 -2.031 -4.011 3.271 1.00 0.55 H new ATOM 983 N SER A 63 -3.664 -5.813 6.371 1.00 0.36 N ATOM 984 CA SER A 63 -4.668 -6.643 6.994 1.00 0.40 C ATOM 985 C SER A 63 -4.542 -8.058 6.460 1.00 0.46 C ATOM 986 O SER A 63 -4.600 -8.283 5.252 1.00 0.62 O ATOM 987 CB SER A 63 -6.066 -6.095 6.717 1.00 0.44 C ATOM 988 OG SER A 63 -6.149 -4.727 7.072 1.00 1.45 O ATOM 0 H SER A 63 -4.009 -5.233 5.606 1.00 0.36 H new ATOM 0 HA SER A 63 -4.514 -6.644 8.073 1.00 0.40 H new ATOM 0 HB2 SER A 63 -6.306 -6.217 5.661 1.00 0.44 H new ATOM 0 HB3 SER A 63 -6.804 -6.667 7.280 1.00 0.44 H new ATOM 0 HG SER A 63 -5.728 -4.182 6.375 1.00 1.45 H new ATOM 994 N ARG A 64 -4.343 -8.995 7.370 1.00 0.73 N ATOM 995 CA ARG A 64 -4.154 -10.396 7.021 1.00 0.94 C ATOM 996 C ARG A 64 -5.392 -10.996 6.348 1.00 0.65 C ATOM 997 O ARG A 64 -5.345 -12.110 5.832 1.00 0.72 O ATOM 998 CB ARG A 64 -3.761 -11.175 8.273 1.00 1.40 C ATOM 999 CG ARG A 64 -2.528 -10.592 8.954 1.00 2.25 C ATOM 1000 CD ARG A 64 -2.183 -11.319 10.239 1.00 2.62 C ATOM 1001 NE ARG A 64 -1.743 -12.688 9.993 1.00 3.28 N ATOM 1002 CZ ARG A 64 -2.301 -13.756 10.549 1.00 3.81 C ATOM 1003 NH1 ARG A 64 -3.347 -13.624 11.353 1.00 3.76 N ATOM 1004 NH2 ARG A 64 -1.812 -14.960 10.290 1.00 4.70 N ATOM 0 H ARG A 64 -4.307 -8.808 8.372 1.00 0.73 H new ATOM 0 HA ARG A 64 -3.350 -10.467 6.288 1.00 0.94 H new ATOM 0 HB2 ARG A 64 -4.595 -11.175 8.975 1.00 1.40 H new ATOM 0 HB3 ARG A 64 -3.569 -12.214 8.006 1.00 1.40 H new ATOM 0 HG2 ARG A 64 -1.680 -10.643 8.271 1.00 2.25 H new ATOM 0 HG3 ARG A 64 -2.700 -9.538 9.170 1.00 2.25 H new ATOM 0 HD2 ARG A 64 -1.398 -10.775 10.763 1.00 2.62 H new ATOM 0 HD3 ARG A 64 -3.054 -11.331 10.894 1.00 2.62 H new ATOM 0 HE ARG A 64 -0.960 -12.833 9.356 1.00 3.28 H new ATOM 0 HH11 ARG A 64 -3.727 -12.698 11.547 1.00 3.76 H new ATOM 0 HH12 ARG A 64 -3.771 -14.449 11.777 1.00 3.76 H new ATOM 0 HH21 ARG A 64 -1.011 -15.062 9.666 1.00 4.70 H new ATOM 0 HH22 ARG A 64 -2.236 -15.785 10.714 1.00 4.70 H new ATOM 1018 N ALA A 65 -6.496 -10.265 6.371 1.00 0.45 N ATOM 1019 CA ALA A 65 -7.682 -10.658 5.628 1.00 0.32 C ATOM 1020 C ALA A 65 -7.793 -9.853 4.332 1.00 0.30 C ATOM 1021 O ALA A 65 -7.727 -8.618 4.346 1.00 0.33 O ATOM 1022 CB ALA A 65 -8.929 -10.473 6.474 1.00 0.47 C ATOM 0 H ALA A 65 -6.595 -9.396 6.896 1.00 0.45 H new ATOM 0 HA ALA A 65 -7.592 -11.714 5.374 1.00 0.32 H new ATOM 0 HB1 ALA A 65 -9.806 -10.773 5.900 1.00 0.47 H new ATOM 0 HB2 ALA A 65 -8.855 -11.088 7.371 1.00 0.47 H new ATOM 0 HB3 ALA A 65 -9.023 -9.425 6.759 1.00 0.47 H new ATOM 1028 N PRO A 66 -7.941 -10.549 3.195 1.00 0.27 N ATOM 1029 CA PRO A 66 -8.090 -9.914 1.878 1.00 0.29 C ATOM 1030 C PRO A 66 -9.370 -9.088 1.788 1.00 0.27 C ATOM 1031 O PRO A 66 -10.365 -9.387 2.450 1.00 0.26 O ATOM 1032 CB PRO A 66 -8.150 -11.099 0.903 1.00 0.32 C ATOM 1033 CG PRO A 66 -7.609 -12.261 1.663 1.00 0.30 C ATOM 1034 CD PRO A 66 -7.968 -12.014 3.098 1.00 0.27 C ATOM 0 HA PRO A 66 -7.277 -9.220 1.666 1.00 0.29 H new ATOM 0 HB2 PRO A 66 -9.172 -11.286 0.573 1.00 0.32 H new ATOM 0 HB3 PRO A 66 -7.558 -10.903 0.009 1.00 0.32 H new ATOM 0 HG2 PRO A 66 -8.041 -13.196 1.307 1.00 0.30 H new ATOM 0 HG3 PRO A 66 -6.529 -12.341 1.538 1.00 0.30 H new ATOM 0 HD2 PRO A 66 -8.950 -12.417 3.344 1.00 0.27 H new ATOM 0 HD3 PRO A 66 -7.254 -12.477 3.779 1.00 0.27 H new ATOM 1042 N ALA A 67 -9.333 -8.056 0.945 1.00 0.29 N ATOM 1043 CA ALA A 67 -10.442 -7.117 0.795 1.00 0.28 C ATOM 1044 C ALA A 67 -11.717 -7.813 0.336 1.00 0.26 C ATOM 1045 O ALA A 67 -12.817 -7.275 0.477 1.00 0.27 O ATOM 1046 CB ALA A 67 -10.061 -6.022 -0.190 1.00 0.35 C ATOM 0 H ALA A 67 -8.533 -7.848 0.347 1.00 0.29 H new ATOM 0 HA ALA A 67 -10.641 -6.678 1.773 1.00 0.28 H new ATOM 0 HB1 ALA A 67 -10.892 -5.325 -0.298 1.00 0.35 H new ATOM 0 HB2 ALA A 67 -9.185 -5.489 0.180 1.00 0.35 H new ATOM 0 HB3 ALA A 67 -9.833 -6.467 -1.158 1.00 0.35 H new ATOM 1052 N SER A 68 -11.557 -9.003 -0.216 1.00 0.30 N ATOM 1053 CA SER A 68 -12.677 -9.791 -0.691 1.00 0.35 C ATOM 1054 C SER A 68 -13.451 -10.420 0.468 1.00 0.31 C ATOM 1055 O SER A 68 -14.661 -10.624 0.375 1.00 0.40 O ATOM 1056 CB SER A 68 -12.158 -10.876 -1.631 1.00 0.48 C ATOM 1057 OG SER A 68 -11.019 -11.514 -1.075 1.00 1.42 O ATOM 0 H SER A 68 -10.649 -9.448 -0.347 1.00 0.30 H new ATOM 0 HA SER A 68 -13.365 -9.135 -1.224 1.00 0.35 H new ATOM 0 HB2 SER A 68 -12.941 -11.612 -1.814 1.00 0.48 H new ATOM 0 HB3 SER A 68 -11.902 -10.437 -2.595 1.00 0.48 H new ATOM 0 HG SER A 68 -10.700 -12.208 -1.689 1.00 1.42 H new ATOM 1063 N SER A 69 -12.760 -10.707 1.567 1.00 0.28 N ATOM 1064 CA SER A 69 -13.363 -11.451 2.665 1.00 0.37 C ATOM 1065 C SER A 69 -13.389 -10.658 3.977 1.00 0.33 C ATOM 1066 O SER A 69 -14.026 -11.077 4.945 1.00 0.42 O ATOM 1067 CB SER A 69 -12.611 -12.770 2.852 1.00 0.50 C ATOM 1068 OG SER A 69 -11.208 -12.574 2.767 1.00 1.46 O ATOM 0 H SER A 69 -11.788 -10.437 1.720 1.00 0.28 H new ATOM 0 HA SER A 69 -14.403 -11.645 2.402 1.00 0.37 H new ATOM 0 HB2 SER A 69 -12.863 -13.202 3.821 1.00 0.50 H new ATOM 0 HB3 SER A 69 -12.928 -13.484 2.092 1.00 0.50 H new ATOM 0 HG SER A 69 -10.758 -13.444 2.731 1.00 1.46 H new ATOM 1074 N GLU A 70 -12.709 -9.520 4.015 1.00 0.28 N ATOM 1075 CA GLU A 70 -12.674 -8.704 5.226 1.00 0.35 C ATOM 1076 C GLU A 70 -13.824 -7.703 5.225 1.00 0.37 C ATOM 1077 O GLU A 70 -14.042 -6.992 4.241 1.00 0.37 O ATOM 1078 CB GLU A 70 -11.334 -7.972 5.356 1.00 0.42 C ATOM 1079 CG GLU A 70 -11.193 -7.179 6.651 1.00 0.78 C ATOM 1080 CD GLU A 70 -11.309 -8.049 7.891 1.00 0.58 C ATOM 1081 OE1 GLU A 70 -12.445 -8.408 8.270 1.00 1.26 O ATOM 1082 OE2 GLU A 70 -10.263 -8.381 8.496 1.00 1.03 O ATOM 0 H GLU A 70 -12.178 -9.142 3.230 1.00 0.28 H new ATOM 0 HA GLU A 70 -12.785 -9.367 6.084 1.00 0.35 H new ATOM 0 HB2 GLU A 70 -10.525 -8.700 5.296 1.00 0.42 H new ATOM 0 HB3 GLU A 70 -11.217 -7.294 4.510 1.00 0.42 H new ATOM 0 HG2 GLU A 70 -10.228 -6.672 6.658 1.00 0.78 H new ATOM 0 HG3 GLU A 70 -11.960 -6.405 6.683 1.00 0.78 H new ATOM 1089 N THR A 71 -14.567 -7.667 6.321 1.00 0.44 N ATOM 1090 CA THR A 71 -15.695 -6.758 6.431 1.00 0.48 C ATOM 1091 C THR A 71 -15.474 -5.685 7.489 1.00 0.58 C ATOM 1092 O THR A 71 -15.253 -5.982 8.663 1.00 0.85 O ATOM 1093 CB THR A 71 -16.999 -7.519 6.749 1.00 0.61 C ATOM 1094 OG1 THR A 71 -16.812 -8.401 7.865 1.00 0.76 O ATOM 1095 CG2 THR A 71 -17.468 -8.320 5.547 1.00 0.62 C ATOM 0 H THR A 71 -14.410 -8.253 7.141 1.00 0.44 H new ATOM 0 HA THR A 71 -15.785 -6.270 5.460 1.00 0.48 H new ATOM 0 HB THR A 71 -17.759 -6.779 7.000 1.00 0.61 H new ATOM 0 HG1 THR A 71 -16.233 -7.971 8.528 1.00 0.76 H new ATOM 0 HG21 THR A 71 -18.389 -8.847 5.798 1.00 0.62 H new ATOM 0 HG22 THR A 71 -17.652 -7.646 4.710 1.00 0.62 H new ATOM 0 HG23 THR A 71 -16.701 -9.043 5.269 1.00 0.62 H new ATOM 1103 N PHE A 72 -15.543 -4.435 7.064 1.00 0.51 N ATOM 1104 CA PHE A 72 -15.555 -3.316 7.991 1.00 0.59 C ATOM 1105 C PHE A 72 -16.968 -2.760 8.090 1.00 0.68 C ATOM 1106 O PHE A 72 -17.769 -2.912 7.164 1.00 0.64 O ATOM 1107 CB PHE A 72 -14.574 -2.222 7.547 1.00 0.58 C ATOM 1108 CG PHE A 72 -14.983 -1.490 6.296 1.00 0.54 C ATOM 1109 CD1 PHE A 72 -14.767 -2.045 5.046 1.00 0.43 C ATOM 1110 CD2 PHE A 72 -15.577 -0.240 6.375 1.00 0.68 C ATOM 1111 CE1 PHE A 72 -15.136 -1.371 3.900 1.00 0.43 C ATOM 1112 CE2 PHE A 72 -15.949 0.439 5.231 1.00 0.67 C ATOM 1113 CZ PHE A 72 -15.727 -0.128 3.992 1.00 0.52 C ATOM 0 H PHE A 72 -15.592 -4.169 6.081 1.00 0.51 H new ATOM 0 HA PHE A 72 -15.235 -3.667 8.972 1.00 0.59 H new ATOM 0 HB2 PHE A 72 -14.463 -1.500 8.356 1.00 0.58 H new ATOM 0 HB3 PHE A 72 -13.595 -2.673 7.386 1.00 0.58 H new ATOM 0 HD1 PHE A 72 -14.304 -3.018 4.967 1.00 0.43 H new ATOM 0 HD2 PHE A 72 -15.751 0.208 7.342 1.00 0.68 H new ATOM 0 HE1 PHE A 72 -14.962 -1.816 2.932 1.00 0.43 H new ATOM 0 HE2 PHE A 72 -16.413 1.412 5.306 1.00 0.67 H new ATOM 0 HZ PHE A 72 -16.016 0.401 3.096 1.00 0.52 H new ATOM 1123 N GLU A 73 -17.279 -2.135 9.212 1.00 0.83 N ATOM 1124 CA GLU A 73 -18.611 -1.614 9.436 1.00 0.94 C ATOM 1125 C GLU A 73 -18.687 -0.136 9.069 1.00 0.99 C ATOM 1126 O GLU A 73 -17.873 0.670 9.518 1.00 1.09 O ATOM 1127 CB GLU A 73 -19.015 -1.825 10.894 1.00 1.14 C ATOM 1128 CG GLU A 73 -20.499 -1.636 11.146 1.00 1.27 C ATOM 1129 CD GLU A 73 -20.902 -2.026 12.549 1.00 1.68 C ATOM 1130 OE1 GLU A 73 -20.771 -3.218 12.900 1.00 1.96 O ATOM 1131 OE2 GLU A 73 -21.358 -1.147 13.305 1.00 2.03 O ATOM 0 H GLU A 73 -16.626 -1.977 9.980 1.00 0.83 H new ATOM 0 HA GLU A 73 -19.306 -2.155 8.794 1.00 0.94 H new ATOM 0 HB2 GLU A 73 -18.728 -2.831 11.200 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -18.457 -1.130 11.521 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -20.764 -0.593 10.972 1.00 1.27 H new ATOM 0 HG3 GLU A 73 -21.065 -2.232 10.430 1.00 1.27 H new ATOM 1138 N HIS A 74 -19.663 0.202 8.244 1.00 0.97 N ATOM 1139 CA HIS A 74 -19.877 1.565 7.795 1.00 1.06 C ATOM 1140 C HIS A 74 -21.370 1.875 7.849 1.00 1.17 C ATOM 1141 O HIS A 74 -22.166 1.215 7.182 1.00 1.05 O ATOM 1142 CB HIS A 74 -19.328 1.739 6.375 1.00 1.04 C ATOM 1143 CG HIS A 74 -19.497 3.119 5.815 1.00 1.19 C ATOM 1144 ND1 HIS A 74 -18.712 4.166 6.230 1.00 1.99 N ATOM 1145 CD2 HIS A 74 -20.367 3.561 4.877 1.00 1.14 C ATOM 1146 CE1 HIS A 74 -19.120 5.218 5.538 1.00 1.92 C ATOM 1147 NE2 HIS A 74 -20.121 4.899 4.707 1.00 1.28 N ATOM 0 H HIS A 74 -20.333 -0.467 7.865 1.00 0.97 H new ATOM 0 HA HIS A 74 -19.348 2.261 8.446 1.00 1.06 H new ATOM 0 HB2 HIS A 74 -18.268 1.486 6.374 1.00 1.04 H new ATOM 0 HB3 HIS A 74 -19.826 1.028 5.716 1.00 1.04 H new ATOM 0 HD2 HIS A 74 -21.112 2.973 4.362 1.00 1.14 H new ATOM 0 HE1 HIS A 74 -18.699 6.208 5.632 1.00 1.92 H new ATOM 0 HE2 HIS A 74 -20.607 5.530 4.070 1.00 1.28 H new ATOM 1155 N ASP A 75 -21.739 2.855 8.671 1.00 1.43 N ATOM 1156 CA ASP A 75 -23.148 3.228 8.871 1.00 1.59 C ATOM 1157 C ASP A 75 -23.920 2.067 9.516 1.00 1.49 C ATOM 1158 O ASP A 75 -25.128 1.915 9.340 1.00 1.50 O ATOM 1159 CB ASP A 75 -23.786 3.640 7.527 1.00 1.65 C ATOM 1160 CG ASP A 75 -25.212 4.146 7.658 1.00 2.03 C ATOM 1161 OD1 ASP A 75 -25.405 5.300 8.096 1.00 2.27 O ATOM 1162 OD2 ASP A 75 -26.151 3.385 7.344 1.00 2.67 O ATOM 0 H ASP A 75 -21.080 3.412 9.215 1.00 1.43 H new ATOM 0 HA ASP A 75 -23.196 4.082 9.546 1.00 1.59 H new ATOM 0 HB2 ASP A 75 -23.175 4.417 7.068 1.00 1.65 H new ATOM 0 HB3 ASP A 75 -23.774 2.784 6.852 1.00 1.65 H new ATOM 1167 N GLY A 76 -23.207 1.245 10.275 1.00 1.43 N ATOM 1168 CA GLY A 76 -23.826 0.088 10.898 1.00 1.41 C ATOM 1169 C GLY A 76 -24.029 -1.047 9.914 1.00 1.19 C ATOM 1170 O GLY A 76 -24.794 -1.976 10.171 1.00 1.18 O ATOM 0 H GLY A 76 -22.212 1.357 10.471 1.00 1.43 H new ATOM 0 HA2 GLY A 76 -23.203 -0.255 11.724 1.00 1.41 H new ATOM 0 HA3 GLY A 76 -24.788 0.376 11.322 1.00 1.41 H new ATOM 1174 N LYS A 77 -23.341 -0.969 8.785 1.00 1.06 N ATOM 1175 CA LYS A 77 -23.426 -1.997 7.760 1.00 0.89 C ATOM 1176 C LYS A 77 -22.026 -2.535 7.499 1.00 0.77 C ATOM 1177 O LYS A 77 -21.119 -1.760 7.207 1.00 0.74 O ATOM 1178 CB LYS A 77 -23.973 -1.416 6.448 1.00 0.87 C ATOM 1179 CG LYS A 77 -25.130 -0.435 6.599 1.00 1.06 C ATOM 1180 CD LYS A 77 -26.403 -1.107 7.090 1.00 1.13 C ATOM 1181 CE LYS A 77 -27.603 -0.172 6.989 1.00 1.40 C ATOM 1182 NZ LYS A 77 -27.455 1.041 7.840 1.00 2.19 N ATOM 0 H LYS A 77 -22.713 -0.198 8.555 1.00 1.06 H new ATOM 0 HA LYS A 77 -24.095 -2.785 8.105 1.00 0.89 H new ATOM 0 HB2 LYS A 77 -23.159 -0.914 5.926 1.00 0.87 H new ATOM 0 HB3 LYS A 77 -24.298 -2.240 5.813 1.00 0.87 H new ATOM 0 HG2 LYS A 77 -24.846 0.352 7.297 1.00 1.06 H new ATOM 0 HG3 LYS A 77 -25.323 0.045 5.639 1.00 1.06 H new ATOM 0 HD2 LYS A 77 -26.591 -2.006 6.503 1.00 1.13 H new ATOM 0 HD3 LYS A 77 -26.273 -1.423 8.125 1.00 1.13 H new ATOM 0 HE2 LYS A 77 -27.737 0.131 5.951 1.00 1.40 H new ATOM 0 HE3 LYS A 77 -28.504 -0.710 7.283 1.00 1.40 H new ATOM 0 HZ1 LYS A 77 -28.378 1.296 8.245 1.00 2.19 H new ATOM 0 HZ2 LYS A 77 -26.782 0.846 8.608 1.00 2.19 H new ATOM 0 HZ3 LYS A 77 -27.101 1.830 7.262 1.00 2.19 H new ATOM 1196 N LYS A 78 -21.832 -3.839 7.605 1.00 0.76 N ATOM 1197 CA LYS A 78 -20.519 -4.411 7.343 1.00 0.71 C ATOM 1198 C LYS A 78 -20.432 -4.880 5.903 1.00 0.61 C ATOM 1199 O LYS A 78 -21.278 -5.644 5.433 1.00 0.70 O ATOM 1200 CB LYS A 78 -20.200 -5.559 8.301 1.00 0.88 C ATOM 1201 CG LYS A 78 -20.140 -5.123 9.754 1.00 1.05 C ATOM 1202 CD LYS A 78 -19.623 -6.232 10.660 1.00 1.31 C ATOM 1203 CE LYS A 78 -18.114 -6.398 10.539 1.00 1.47 C ATOM 1204 NZ LYS A 78 -17.596 -7.482 11.418 1.00 1.55 N ATOM 0 H LYS A 78 -22.552 -4.513 7.866 1.00 0.76 H new ATOM 0 HA LYS A 78 -19.776 -3.631 7.510 1.00 0.71 H new ATOM 0 HB2 LYS A 78 -20.957 -6.336 8.192 1.00 0.88 H new ATOM 0 HB3 LYS A 78 -19.245 -6.003 8.021 1.00 0.88 H new ATOM 0 HG2 LYS A 78 -19.494 -4.250 9.844 1.00 1.05 H new ATOM 0 HG3 LYS A 78 -21.134 -4.819 10.083 1.00 1.05 H new ATOM 0 HD2 LYS A 78 -19.883 -6.008 11.695 1.00 1.31 H new ATOM 0 HD3 LYS A 78 -20.114 -7.171 10.404 1.00 1.31 H new ATOM 0 HE2 LYS A 78 -17.856 -6.618 9.503 1.00 1.47 H new ATOM 0 HE3 LYS A 78 -17.625 -5.459 10.797 1.00 1.47 H new ATOM 0 HZ1 LYS A 78 -16.565 -7.559 11.303 1.00 1.55 H new ATOM 0 HZ2 LYS A 78 -17.818 -7.261 12.410 1.00 1.55 H new ATOM 0 HZ3 LYS A 78 -18.042 -8.384 11.156 1.00 1.55 H new ATOM 1218 N VAL A 79 -19.405 -4.420 5.210 1.00 0.51 N ATOM 1219 CA VAL A 79 -19.218 -4.719 3.801 1.00 0.42 C ATOM 1220 C VAL A 79 -17.781 -5.158 3.566 1.00 0.37 C ATOM 1221 O VAL A 79 -16.922 -4.958 4.425 1.00 0.38 O ATOM 1222 CB VAL A 79 -19.518 -3.484 2.913 1.00 0.35 C ATOM 1223 CG1 VAL A 79 -20.974 -3.060 3.032 1.00 0.41 C ATOM 1224 CG2 VAL A 79 -18.600 -2.327 3.274 1.00 0.34 C ATOM 0 H VAL A 79 -18.676 -3.828 5.609 1.00 0.51 H new ATOM 0 HA VAL A 79 -19.912 -5.515 3.530 1.00 0.42 H new ATOM 0 HB VAL A 79 -19.332 -3.767 1.877 1.00 0.35 H new ATOM 0 HG11 VAL A 79 -21.153 -2.192 2.398 1.00 0.41 H new ATOM 0 HG12 VAL A 79 -21.619 -3.880 2.715 1.00 0.41 H new ATOM 0 HG13 VAL A 79 -21.195 -2.804 4.068 1.00 0.41 H new ATOM 0 HG21 VAL A 79 -18.827 -1.471 2.639 1.00 0.34 H new ATOM 0 HG22 VAL A 79 -18.751 -2.055 4.319 1.00 0.34 H new ATOM 0 HG23 VAL A 79 -17.562 -2.625 3.123 1.00 0.34 H new ATOM 1234 N THR A 80 -17.511 -5.735 2.408 1.00 0.34 N ATOM 1235 CA THR A 80 -16.162 -6.144 2.067 1.00 0.30 C ATOM 1236 C THR A 80 -15.536 -5.065 1.205 1.00 0.23 C ATOM 1237 O THR A 80 -16.217 -4.464 0.377 1.00 0.21 O ATOM 1238 CB THR A 80 -16.161 -7.487 1.307 1.00 0.34 C ATOM 1239 OG1 THR A 80 -17.161 -7.467 0.276 1.00 0.67 O ATOM 1240 CG2 THR A 80 -16.427 -8.647 2.252 1.00 0.65 C ATOM 0 H THR A 80 -18.208 -5.930 1.689 1.00 0.34 H new ATOM 0 HA THR A 80 -15.588 -6.281 2.984 1.00 0.30 H new ATOM 0 HB THR A 80 -15.177 -7.624 0.859 1.00 0.34 H new ATOM 0 HG1 THR A 80 -17.165 -8.328 -0.193 1.00 0.67 H new ATOM 0 HG21 THR A 80 -16.421 -9.582 1.691 1.00 0.65 H new ATOM 0 HG22 THR A 80 -15.652 -8.678 3.017 1.00 0.65 H new ATOM 0 HG23 THR A 80 -17.400 -8.514 2.726 1.00 0.65 H new ATOM 1248 N ILE A 81 -14.244 -4.829 1.395 1.00 0.24 N ATOM 1249 CA ILE A 81 -13.555 -3.731 0.728 1.00 0.23 C ATOM 1250 C ILE A 81 -13.581 -3.920 -0.792 1.00 0.20 C ATOM 1251 O ILE A 81 -13.575 -2.948 -1.546 1.00 0.22 O ATOM 1252 CB ILE A 81 -12.095 -3.574 1.243 1.00 0.28 C ATOM 1253 CG1 ILE A 81 -12.068 -3.047 2.685 1.00 0.37 C ATOM 1254 CG2 ILE A 81 -11.281 -2.657 0.348 1.00 0.32 C ATOM 1255 CD1 ILE A 81 -12.270 -4.108 3.749 1.00 0.71 C ATOM 0 H ILE A 81 -13.650 -5.386 2.009 1.00 0.24 H new ATOM 0 HA ILE A 81 -14.087 -2.811 0.970 1.00 0.23 H new ATOM 0 HB ILE A 81 -11.644 -4.566 1.221 1.00 0.28 H new ATOM 0 HG12 ILE A 81 -11.112 -2.554 2.860 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -12.843 -2.289 2.795 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -10.267 -2.572 0.740 1.00 0.32 H new ATOM 0 HG22 ILE A 81 -11.247 -3.069 -0.660 1.00 0.32 H new ATOM 0 HG23 ILE A 81 -11.743 -1.670 0.321 1.00 0.32 H new ATOM 0 HD11 ILE A 81 -12.236 -3.645 4.735 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -13.239 -4.587 3.606 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -11.481 -4.856 3.672 1.00 0.71 H new ATOM 1267 N ALA A 82 -13.655 -5.171 -1.236 1.00 0.17 N ATOM 1268 CA ALA A 82 -13.726 -5.471 -2.664 1.00 0.17 C ATOM 1269 C ALA A 82 -15.025 -4.945 -3.278 1.00 0.18 C ATOM 1270 O ALA A 82 -15.000 -4.233 -4.280 1.00 0.21 O ATOM 1271 CB ALA A 82 -13.602 -6.968 -2.901 1.00 0.17 C ATOM 0 H ALA A 82 -13.667 -5.992 -0.631 1.00 0.17 H new ATOM 0 HA ALA A 82 -12.892 -4.966 -3.152 1.00 0.17 H new ATOM 0 HB1 ALA A 82 -13.657 -7.173 -3.970 1.00 0.17 H new ATOM 0 HB2 ALA A 82 -12.646 -7.320 -2.513 1.00 0.17 H new ATOM 0 HB3 ALA A 82 -14.414 -7.486 -2.390 1.00 0.17 H new ATOM 1277 N SER A 83 -16.155 -5.279 -2.659 1.00 0.18 N ATOM 1278 CA SER A 83 -17.457 -4.826 -3.142 1.00 0.20 C ATOM 1279 C SER A 83 -17.639 -3.342 -2.839 1.00 0.21 C ATOM 1280 O SER A 83 -18.324 -2.614 -3.559 1.00 0.25 O ATOM 1281 CB SER A 83 -18.568 -5.644 -2.478 1.00 0.23 C ATOM 1282 OG SER A 83 -18.305 -7.034 -2.585 1.00 1.11 O ATOM 0 H SER A 83 -16.195 -5.861 -1.823 1.00 0.18 H new ATOM 0 HA SER A 83 -17.509 -4.970 -4.221 1.00 0.20 H new ATOM 0 HB2 SER A 83 -18.652 -5.365 -1.428 1.00 0.23 H new ATOM 0 HB3 SER A 83 -19.525 -5.414 -2.947 1.00 0.23 H new ATOM 0 HG SER A 83 -17.909 -7.357 -1.749 1.00 1.11 H new ATOM 1288 N TYR A 84 -17.003 -2.916 -1.762 1.00 0.21 N ATOM 1289 CA TYR A 84 -17.019 -1.531 -1.322 1.00 0.24 C ATOM 1290 C TYR A 84 -16.434 -0.606 -2.387 1.00 0.25 C ATOM 1291 O TYR A 84 -17.029 0.420 -2.717 1.00 0.30 O ATOM 1292 CB TYR A 84 -16.255 -1.443 0.004 1.00 0.25 C ATOM 1293 CG TYR A 84 -15.756 -0.073 0.386 1.00 0.28 C ATOM 1294 CD1 TYR A 84 -16.629 0.966 0.678 1.00 0.31 C ATOM 1295 CD2 TYR A 84 -14.392 0.166 0.483 1.00 0.31 C ATOM 1296 CE1 TYR A 84 -16.154 2.207 1.052 1.00 0.38 C ATOM 1297 CE2 TYR A 84 -13.908 1.400 0.853 1.00 0.37 C ATOM 1298 CZ TYR A 84 -14.791 2.422 1.137 1.00 0.39 C ATOM 1299 OH TYR A 84 -14.313 3.657 1.514 1.00 0.49 O ATOM 0 H TYR A 84 -16.454 -3.530 -1.160 1.00 0.21 H new ATOM 0 HA TYR A 84 -18.045 -1.198 -1.167 1.00 0.24 H new ATOM 0 HB2 TYR A 84 -16.904 -1.807 0.800 1.00 0.25 H new ATOM 0 HB3 TYR A 84 -15.401 -2.119 -0.045 1.00 0.25 H new ATOM 0 HD1 TYR A 84 -17.694 0.801 0.612 1.00 0.31 H new ATOM 0 HD2 TYR A 84 -13.698 -0.632 0.264 1.00 0.31 H new ATOM 0 HE1 TYR A 84 -16.844 3.007 1.277 1.00 0.38 H new ATOM 0 HE2 TYR A 84 -12.843 1.568 0.921 1.00 0.37 H new ATOM 0 HH TYR A 84 -13.333 3.639 1.525 1.00 0.49 H new ATOM 1309 N PHE A 85 -15.281 -0.971 -2.937 1.00 0.22 N ATOM 1310 CA PHE A 85 -14.687 -0.197 -4.022 1.00 0.23 C ATOM 1311 C PHE A 85 -15.438 -0.426 -5.326 1.00 0.25 C ATOM 1312 O PHE A 85 -15.597 0.494 -6.129 1.00 0.28 O ATOM 1313 CB PHE A 85 -13.206 -0.538 -4.205 1.00 0.22 C ATOM 1314 CG PHE A 85 -12.296 0.188 -3.252 1.00 0.25 C ATOM 1315 CD1 PHE A 85 -11.874 1.478 -3.514 1.00 0.48 C ATOM 1316 CD2 PHE A 85 -11.861 -0.427 -2.092 1.00 0.35 C ATOM 1317 CE1 PHE A 85 -11.034 2.140 -2.637 1.00 0.54 C ATOM 1318 CE2 PHE A 85 -11.022 0.229 -1.213 1.00 0.39 C ATOM 1319 CZ PHE A 85 -10.620 1.543 -1.496 1.00 0.39 C ATOM 0 H PHE A 85 -14.743 -1.790 -2.653 1.00 0.22 H new ATOM 0 HA PHE A 85 -14.765 0.856 -3.751 1.00 0.23 H new ATOM 0 HB2 PHE A 85 -13.071 -1.612 -4.076 1.00 0.22 H new ATOM 0 HB3 PHE A 85 -12.911 -0.300 -5.227 1.00 0.22 H new ATOM 0 HD1 PHE A 85 -12.204 1.975 -4.414 1.00 0.48 H new ATOM 0 HD2 PHE A 85 -12.182 -1.434 -1.871 1.00 0.35 H new ATOM 0 HE1 PHE A 85 -10.705 3.143 -2.865 1.00 0.54 H new ATOM 0 HE2 PHE A 85 -10.678 -0.265 -0.316 1.00 0.39 H new ATOM 0 HZ PHE A 85 -9.983 2.076 -0.806 1.00 0.39 H new ATOM 1329 N HIS A 86 -15.917 -1.648 -5.527 1.00 0.24 N ATOM 1330 CA HIS A 86 -16.614 -2.002 -6.757 1.00 0.29 C ATOM 1331 C HIS A 86 -17.869 -1.148 -6.943 1.00 0.31 C ATOM 1332 O HIS A 86 -18.096 -0.594 -8.020 1.00 0.36 O ATOM 1333 CB HIS A 86 -16.974 -3.490 -6.761 1.00 0.31 C ATOM 1334 CG HIS A 86 -17.460 -3.988 -8.091 1.00 0.61 C ATOM 1335 ND1 HIS A 86 -16.629 -4.666 -8.953 1.00 1.62 N ATOM 1336 CD2 HIS A 86 -18.684 -3.878 -8.656 1.00 0.88 C ATOM 1337 CE1 HIS A 86 -17.366 -4.952 -10.013 1.00 1.76 C ATOM 1338 NE2 HIS A 86 -18.617 -4.494 -9.877 1.00 1.19 N ATOM 0 H HIS A 86 -15.835 -2.410 -4.854 1.00 0.24 H new ATOM 0 HA HIS A 86 -15.943 -1.804 -7.593 1.00 0.29 H new ATOM 0 HB2 HIS A 86 -16.099 -4.068 -6.464 1.00 0.31 H new ATOM 0 HB3 HIS A 86 -17.744 -3.671 -6.011 1.00 0.31 H new ATOM 0 HD2 HIS A 86 -19.549 -3.396 -8.226 1.00 0.88 H new ATOM 0 HE1 HIS A 86 -17.005 -5.487 -10.879 1.00 1.76 H new ATOM 0 HE2 HIS A 86 -19.375 -4.586 -10.553 1.00 1.19 H new ATOM 1346 N SER A 87 -18.671 -1.019 -5.892 1.00 0.33 N ATOM 1347 CA SER A 87 -19.884 -0.209 -5.961 1.00 0.37 C ATOM 1348 C SER A 87 -19.534 1.278 -5.965 1.00 0.36 C ATOM 1349 O SER A 87 -20.331 2.120 -6.377 1.00 0.44 O ATOM 1350 CB SER A 87 -20.812 -0.544 -4.791 1.00 0.44 C ATOM 1351 OG SER A 87 -20.118 -0.499 -3.554 1.00 1.34 O ATOM 0 H SER A 87 -18.506 -1.461 -4.988 1.00 0.33 H new ATOM 0 HA SER A 87 -20.405 -0.439 -6.891 1.00 0.37 H new ATOM 0 HB2 SER A 87 -21.643 0.161 -4.770 1.00 0.44 H new ATOM 0 HB3 SER A 87 -21.239 -1.536 -4.935 1.00 0.44 H new ATOM 0 HG SER A 87 -19.578 -1.311 -3.452 1.00 1.34 H new ATOM 1357 N ARG A 88 -18.325 1.580 -5.515 1.00 0.32 N ATOM 1358 CA ARG A 88 -17.818 2.946 -5.535 1.00 0.36 C ATOM 1359 C ARG A 88 -17.217 3.265 -6.908 1.00 0.38 C ATOM 1360 O ARG A 88 -16.502 4.250 -7.073 1.00 0.47 O ATOM 1361 CB ARG A 88 -16.771 3.143 -4.439 1.00 0.44 C ATOM 1362 CG ARG A 88 -16.575 4.595 -4.019 1.00 0.83 C ATOM 1363 CD ARG A 88 -17.663 5.069 -3.064 1.00 1.10 C ATOM 1364 NE ARG A 88 -18.968 5.200 -3.709 1.00 1.79 N ATOM 1365 CZ ARG A 88 -20.098 4.697 -3.215 1.00 2.33 C ATOM 1366 NH1 ARG A 88 -20.077 4.005 -2.080 1.00 2.20 N ATOM 1367 NH2 ARG A 88 -21.241 4.894 -3.854 1.00 3.30 N ATOM 0 H ARG A 88 -17.674 0.895 -5.130 1.00 0.32 H new ATOM 0 HA ARG A 88 -18.647 3.628 -5.347 1.00 0.36 H new ATOM 0 HB2 ARG A 88 -17.061 2.559 -3.565 1.00 0.44 H new ATOM 0 HB3 ARG A 88 -15.818 2.745 -4.786 1.00 0.44 H new ATOM 0 HG2 ARG A 88 -15.601 4.705 -3.541 1.00 0.83 H new ATOM 0 HG3 ARG A 88 -16.569 5.230 -4.905 1.00 0.83 H new ATOM 0 HD2 ARG A 88 -17.742 4.367 -2.234 1.00 1.10 H new ATOM 0 HD3 ARG A 88 -17.374 6.031 -2.641 1.00 1.10 H new ATOM 0 HE ARG A 88 -19.016 5.708 -4.592 1.00 1.79 H new ATOM 0 HH11 ARG A 88 -19.196 3.859 -1.588 1.00 2.20 H new ATOM 0 HH12 ARG A 88 -20.942 3.620 -1.702 1.00 2.20 H new ATOM 0 HH21 ARG A 88 -21.254 5.430 -4.722 1.00 3.30 H new ATOM 0 HH22 ARG A 88 -22.108 4.510 -3.478 1.00 3.30 H new ATOM 1381 N ASN A 89 -17.508 2.394 -7.877 1.00 0.37 N ATOM 1382 CA ASN A 89 -17.109 2.580 -9.275 1.00 0.44 C ATOM 1383 C ASN A 89 -15.616 2.357 -9.482 1.00 0.48 C ATOM 1384 O ASN A 89 -14.984 3.011 -10.313 1.00 0.66 O ATOM 1385 CB ASN A 89 -17.521 3.960 -9.801 1.00 0.51 C ATOM 1386 CG ASN A 89 -19.024 4.109 -9.949 1.00 1.01 C ATOM 1387 OD1 ASN A 89 -19.574 5.190 -9.739 1.00 1.58 O ATOM 1388 ND2 ASN A 89 -19.698 3.029 -10.319 1.00 1.87 N ATOM 0 H ASN A 89 -18.031 1.534 -7.713 1.00 0.37 H new ATOM 0 HA ASN A 89 -17.640 1.821 -9.850 1.00 0.44 H new ATOM 0 HB2 ASN A 89 -17.150 4.728 -9.123 1.00 0.51 H new ATOM 0 HB3 ASN A 89 -17.047 4.132 -10.767 1.00 0.51 H new ATOM 0 HD21 ASN A 89 -20.710 3.076 -10.439 1.00 1.87 H new ATOM 0 HD22 ASN A 89 -19.205 2.151 -10.483 1.00 1.87 H new ATOM 1395 N TYR A 90 -15.054 1.430 -8.725 1.00 0.36 N ATOM 1396 CA TYR A 90 -13.690 0.992 -8.960 1.00 0.36 C ATOM 1397 C TYR A 90 -13.594 -0.522 -8.803 1.00 0.33 C ATOM 1398 O TYR A 90 -13.367 -1.031 -7.706 1.00 0.30 O ATOM 1399 CB TYR A 90 -12.701 1.689 -8.018 1.00 0.37 C ATOM 1400 CG TYR A 90 -11.268 1.260 -8.245 1.00 0.42 C ATOM 1401 CD1 TYR A 90 -10.567 1.666 -9.373 1.00 0.57 C ATOM 1402 CD2 TYR A 90 -10.624 0.428 -7.339 1.00 0.42 C ATOM 1403 CE1 TYR A 90 -9.265 1.256 -9.591 1.00 0.66 C ATOM 1404 CE2 TYR A 90 -9.325 0.012 -7.553 1.00 0.51 C ATOM 1405 CZ TYR A 90 -8.649 0.427 -8.678 1.00 0.61 C ATOM 1406 OH TYR A 90 -7.355 0.004 -8.890 1.00 0.73 O ATOM 0 H TYR A 90 -15.520 0.968 -7.945 1.00 0.36 H new ATOM 0 HA TYR A 90 -13.421 1.266 -9.980 1.00 0.36 H new ATOM 0 HB2 TYR A 90 -12.777 2.768 -8.153 1.00 0.37 H new ATOM 0 HB3 TYR A 90 -12.979 1.476 -6.986 1.00 0.37 H new ATOM 0 HD1 TYR A 90 -11.047 2.313 -10.092 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -11.148 0.101 -6.453 1.00 0.42 H new ATOM 0 HE1 TYR A 90 -8.733 1.583 -10.472 1.00 0.66 H new ATOM 0 HE2 TYR A 90 -8.840 -0.638 -6.839 1.00 0.51 H new ATOM 0 HH TYR A 90 -7.074 -0.573 -8.150 1.00 0.73 H new ATOM 1416 N PRO A 91 -13.803 -1.262 -9.896 1.00 0.38 N ATOM 1417 CA PRO A 91 -13.614 -2.707 -9.902 1.00 0.38 C ATOM 1418 C PRO A 91 -12.140 -3.057 -9.719 1.00 0.36 C ATOM 1419 O PRO A 91 -11.320 -2.799 -10.601 1.00 0.45 O ATOM 1420 CB PRO A 91 -14.115 -3.136 -11.286 1.00 0.45 C ATOM 1421 CG PRO A 91 -14.011 -1.914 -12.128 1.00 0.50 C ATOM 1422 CD PRO A 91 -14.237 -0.751 -11.207 1.00 0.47 C ATOM 0 HA PRO A 91 -14.144 -3.209 -9.092 1.00 0.38 H new ATOM 0 HB2 PRO A 91 -13.510 -3.947 -11.691 1.00 0.45 H new ATOM 0 HB3 PRO A 91 -15.142 -3.497 -11.240 1.00 0.45 H new ATOM 0 HG2 PRO A 91 -13.032 -1.850 -12.602 1.00 0.50 H new ATOM 0 HG3 PRO A 91 -14.752 -1.928 -12.927 1.00 0.50 H new ATOM 0 HD2 PRO A 91 -13.656 0.120 -11.511 1.00 0.47 H new ATOM 0 HD3 PRO A 91 -15.284 -0.447 -11.193 1.00 0.47 H new ATOM 1430 N LEU A 92 -11.808 -3.625 -8.566 1.00 0.32 N ATOM 1431 CA LEU A 92 -10.421 -3.905 -8.213 1.00 0.32 C ATOM 1432 C LEU A 92 -9.729 -4.753 -9.274 1.00 0.30 C ATOM 1433 O LEU A 92 -10.291 -5.726 -9.783 1.00 0.30 O ATOM 1434 CB LEU A 92 -10.344 -4.621 -6.863 1.00 0.34 C ATOM 1435 CG LEU A 92 -10.787 -3.802 -5.646 1.00 0.33 C ATOM 1436 CD1 LEU A 92 -10.745 -4.654 -4.389 1.00 0.39 C ATOM 1437 CD2 LEU A 92 -9.904 -2.579 -5.477 1.00 0.32 C ATOM 0 H LEU A 92 -12.485 -3.902 -7.855 1.00 0.32 H new ATOM 0 HA LEU A 92 -9.906 -2.946 -8.149 1.00 0.32 H new ATOM 0 HB2 LEU A 92 -10.958 -5.520 -6.915 1.00 0.34 H new ATOM 0 HB3 LEU A 92 -9.316 -4.946 -6.704 1.00 0.34 H new ATOM 0 HG LEU A 92 -11.812 -3.471 -5.811 1.00 0.33 H new ATOM 0 HD11 LEU A 92 -11.063 -4.057 -3.534 1.00 0.39 H new ATOM 0 HD12 LEU A 92 -11.414 -5.507 -4.505 1.00 0.39 H new ATOM 0 HD13 LEU A 92 -9.728 -5.011 -4.225 1.00 0.39 H new ATOM 0 HD21 LEU A 92 -10.234 -2.010 -4.608 1.00 0.32 H new ATOM 0 HD22 LEU A 92 -8.870 -2.894 -5.334 1.00 0.32 H new ATOM 0 HD23 LEU A 92 -9.973 -1.954 -6.368 1.00 0.32 H new ATOM 1449 N LYS A 93 -8.505 -4.351 -9.609 1.00 0.30 N ATOM 1450 CA LYS A 93 -7.690 -5.084 -10.561 1.00 0.30 C ATOM 1451 C LYS A 93 -7.300 -6.432 -9.974 1.00 0.31 C ATOM 1452 O LYS A 93 -7.046 -7.396 -10.695 1.00 0.36 O ATOM 1453 CB LYS A 93 -6.449 -4.267 -10.899 1.00 0.38 C ATOM 1454 CG LYS A 93 -6.775 -2.880 -11.429 1.00 0.53 C ATOM 1455 CD LYS A 93 -5.524 -2.033 -11.600 1.00 0.84 C ATOM 1456 CE LYS A 93 -4.533 -2.658 -12.568 1.00 1.06 C ATOM 1457 NZ LYS A 93 -3.235 -1.934 -12.562 1.00 1.55 N ATOM 0 H LYS A 93 -8.058 -3.516 -9.230 1.00 0.30 H new ATOM 0 HA LYS A 93 -8.258 -5.257 -11.475 1.00 0.30 H new ATOM 0 HB2 LYS A 93 -5.829 -4.172 -10.007 1.00 0.38 H new ATOM 0 HB3 LYS A 93 -5.859 -4.804 -11.642 1.00 0.38 H new ATOM 0 HG2 LYS A 93 -7.288 -2.968 -12.387 1.00 0.53 H new ATOM 0 HG3 LYS A 93 -7.461 -2.381 -10.744 1.00 0.53 H new ATOM 0 HD2 LYS A 93 -5.804 -1.043 -11.959 1.00 0.84 H new ATOM 0 HD3 LYS A 93 -5.045 -1.896 -10.631 1.00 0.84 H new ATOM 0 HE2 LYS A 93 -4.370 -3.702 -12.300 1.00 1.06 H new ATOM 0 HE3 LYS A 93 -4.951 -2.649 -13.575 1.00 1.06 H new ATOM 0 HZ1 LYS A 93 -2.571 -2.407 -13.208 1.00 1.55 H new ATOM 0 HZ2 LYS A 93 -3.383 -0.953 -12.874 1.00 1.55 H new ATOM 0 HZ3 LYS A 93 -2.841 -1.935 -11.599 1.00 1.55 H new ATOM 1471 N PHE A 94 -7.260 -6.470 -8.650 1.00 0.35 N ATOM 1472 CA PHE A 94 -6.960 -7.674 -7.899 1.00 0.44 C ATOM 1473 C PHE A 94 -7.837 -7.693 -6.648 1.00 0.44 C ATOM 1474 O PHE A 94 -7.389 -7.341 -5.560 1.00 0.48 O ATOM 1475 CB PHE A 94 -5.476 -7.724 -7.501 1.00 0.58 C ATOM 1476 CG PHE A 94 -4.520 -7.298 -8.584 1.00 0.58 C ATOM 1477 CD1 PHE A 94 -4.153 -5.965 -8.706 1.00 0.57 C ATOM 1478 CD2 PHE A 94 -3.981 -8.221 -9.472 1.00 0.70 C ATOM 1479 CE1 PHE A 94 -3.273 -5.560 -9.690 1.00 0.61 C ATOM 1480 CE2 PHE A 94 -3.102 -7.817 -10.459 1.00 0.77 C ATOM 1481 CZ PHE A 94 -2.748 -6.486 -10.567 1.00 0.70 C ATOM 0 H PHE A 94 -7.437 -5.655 -8.063 1.00 0.35 H new ATOM 0 HA PHE A 94 -7.165 -8.546 -8.521 1.00 0.44 H new ATOM 0 HB2 PHE A 94 -5.326 -7.086 -6.630 1.00 0.58 H new ATOM 0 HB3 PHE A 94 -5.229 -8.741 -7.197 1.00 0.58 H new ATOM 0 HD1 PHE A 94 -4.561 -5.235 -8.022 1.00 0.57 H new ATOM 0 HD2 PHE A 94 -4.251 -9.263 -9.390 1.00 0.70 H new ATOM 0 HE1 PHE A 94 -2.996 -4.519 -9.773 1.00 0.61 H new ATOM 0 HE2 PHE A 94 -2.692 -8.542 -11.146 1.00 0.77 H new ATOM 0 HZ PHE A 94 -2.060 -6.171 -11.338 1.00 0.70 H new ATOM 1491 N PRO A 95 -9.119 -8.059 -6.809 1.00 0.45 N ATOM 1492 CA PRO A 95 -10.105 -8.102 -5.711 1.00 0.52 C ATOM 1493 C PRO A 95 -9.644 -8.887 -4.478 1.00 0.51 C ATOM 1494 O PRO A 95 -10.208 -8.740 -3.394 1.00 0.55 O ATOM 1495 CB PRO A 95 -11.306 -8.807 -6.344 1.00 0.66 C ATOM 1496 CG PRO A 95 -11.190 -8.541 -7.804 1.00 0.57 C ATOM 1497 CD PRO A 95 -9.722 -8.418 -8.103 1.00 0.45 C ATOM 0 HA PRO A 95 -10.300 -7.098 -5.335 1.00 0.52 H new ATOM 0 HB2 PRO A 95 -11.289 -9.877 -6.136 1.00 0.66 H new ATOM 0 HB3 PRO A 95 -12.244 -8.420 -5.947 1.00 0.66 H new ATOM 0 HG2 PRO A 95 -11.637 -9.350 -8.382 1.00 0.57 H new ATOM 0 HG3 PRO A 95 -11.718 -7.627 -8.074 1.00 0.57 H new ATOM 0 HD2 PRO A 95 -9.314 -9.353 -8.487 1.00 0.45 H new ATOM 0 HD3 PRO A 95 -9.532 -7.654 -8.857 1.00 0.45 H new ATOM 1505 N GLN A 96 -8.619 -9.709 -4.644 1.00 0.56 N ATOM 1506 CA GLN A 96 -8.145 -10.569 -3.568 1.00 0.70 C ATOM 1507 C GLN A 96 -6.983 -9.921 -2.814 1.00 0.75 C ATOM 1508 O GLN A 96 -6.308 -10.570 -2.016 1.00 0.96 O ATOM 1509 CB GLN A 96 -7.719 -11.919 -4.146 1.00 0.83 C ATOM 1510 CG GLN A 96 -8.820 -12.609 -4.933 1.00 0.93 C ATOM 1511 CD GLN A 96 -8.347 -13.887 -5.596 1.00 1.70 C ATOM 1512 OE1 GLN A 96 -8.441 -14.975 -5.028 1.00 2.40 O ATOM 1513 NE2 GLN A 96 -7.826 -13.763 -6.808 1.00 2.31 N ATOM 0 H GLN A 96 -8.097 -9.799 -5.516 1.00 0.56 H new ATOM 0 HA GLN A 96 -8.958 -10.719 -2.857 1.00 0.70 H new ATOM 0 HB2 GLN A 96 -6.855 -11.773 -4.794 1.00 0.83 H new ATOM 0 HB3 GLN A 96 -7.400 -12.571 -3.332 1.00 0.83 H new ATOM 0 HG2 GLN A 96 -9.651 -12.836 -4.266 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -9.199 -11.928 -5.694 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -7.765 -12.844 -7.245 1.00 2.31 H new ATOM 0 HE22 GLN A 96 -7.485 -14.587 -7.303 1.00 2.31 H new ATOM 1522 N LEU A 97 -6.751 -8.640 -3.077 1.00 0.67 N ATOM 1523 CA LEU A 97 -5.702 -7.890 -2.391 1.00 0.81 C ATOM 1524 C LEU A 97 -6.012 -7.737 -0.910 1.00 0.61 C ATOM 1525 O LEU A 97 -7.115 -7.340 -0.533 1.00 0.55 O ATOM 1526 CB LEU A 97 -5.527 -6.498 -3.011 1.00 1.09 C ATOM 1527 CG LEU A 97 -4.769 -6.456 -4.336 1.00 1.70 C ATOM 1528 CD1 LEU A 97 -4.724 -5.037 -4.880 1.00 2.43 C ATOM 1529 CD2 LEU A 97 -3.363 -7.000 -4.156 1.00 2.44 C ATOM 0 H LEU A 97 -7.276 -8.097 -3.762 1.00 0.67 H new ATOM 0 HA LEU A 97 -4.778 -8.456 -2.505 1.00 0.81 H new ATOM 0 HB2 LEU A 97 -6.514 -6.061 -3.164 1.00 1.09 H new ATOM 0 HB3 LEU A 97 -5.005 -5.864 -2.294 1.00 1.09 H new ATOM 0 HG LEU A 97 -5.295 -7.083 -5.056 1.00 1.70 H new ATOM 0 HD11 LEU A 97 -4.180 -5.026 -5.824 1.00 2.43 H new ATOM 0 HD12 LEU A 97 -5.740 -4.677 -5.042 1.00 2.43 H new ATOM 0 HD13 LEU A 97 -4.220 -4.389 -4.164 1.00 2.43 H new ATOM 0 HD21 LEU A 97 -2.834 -6.964 -5.108 1.00 2.44 H new ATOM 0 HD22 LEU A 97 -2.830 -6.395 -3.422 1.00 2.44 H new ATOM 0 HD23 LEU A 97 -3.414 -8.032 -3.808 1.00 2.44 H new ATOM 1541 N HIS A 98 -5.038 -8.078 -0.078 1.00 0.58 N ATOM 1542 CA HIS A 98 -5.132 -7.829 1.351 1.00 0.51 C ATOM 1543 C HIS A 98 -5.212 -6.335 1.614 1.00 0.54 C ATOM 1544 O HIS A 98 -4.544 -5.538 0.949 1.00 0.68 O ATOM 1545 CB HIS A 98 -3.936 -8.441 2.082 1.00 0.53 C ATOM 1546 CG HIS A 98 -3.915 -9.935 2.019 1.00 0.54 C ATOM 1547 ND1 HIS A 98 -3.414 -10.598 0.929 1.00 0.71 N ATOM 1548 CD2 HIS A 98 -4.367 -10.841 2.917 1.00 0.56 C ATOM 1549 CE1 HIS A 98 -3.573 -11.883 1.182 1.00 0.74 C ATOM 1550 NE2 HIS A 98 -4.148 -12.082 2.375 1.00 0.65 N ATOM 0 H HIS A 98 -4.171 -8.529 -0.371 1.00 0.58 H new ATOM 0 HA HIS A 98 -6.039 -8.300 1.730 1.00 0.51 H new ATOM 0 HB2 HIS A 98 -3.015 -8.052 1.649 1.00 0.53 H new ATOM 0 HB3 HIS A 98 -3.956 -8.127 3.126 1.00 0.53 H new ATOM 0 HD2 HIS A 98 -4.814 -10.628 3.877 1.00 0.56 H new ATOM 0 HE1 HIS A 98 -3.276 -12.675 0.511 1.00 0.74 H new ATOM 0 HE2 HIS A 98 -4.378 -12.981 2.798 1.00 0.65 H new ATOM 1558 N CYS A 99 -6.032 -5.971 2.579 1.00 0.46 N ATOM 1559 CA CYS A 99 -6.327 -4.574 2.845 1.00 0.52 C ATOM 1560 C CYS A 99 -5.139 -3.884 3.499 1.00 0.45 C ATOM 1561 O CYS A 99 -4.714 -4.270 4.580 1.00 0.53 O ATOM 1562 CB CYS A 99 -7.544 -4.468 3.764 1.00 0.64 C ATOM 1563 SG CYS A 99 -8.911 -5.559 3.311 1.00 0.55 S ATOM 0 H CYS A 99 -6.510 -6.627 3.197 1.00 0.46 H new ATOM 0 HA CYS A 99 -6.537 -4.082 1.895 1.00 0.52 H new ATOM 0 HB2 CYS A 99 -7.236 -4.695 4.785 1.00 0.64 H new ATOM 0 HB3 CYS A 99 -7.900 -3.438 3.760 1.00 0.64 H new ATOM 0 HG CYS A 99 -8.617 -6.782 3.640 1.00 0.55 H new ATOM 1569 N LEU A 100 -4.601 -2.869 2.847 1.00 0.34 N ATOM 1570 CA LEU A 100 -3.567 -2.053 3.457 1.00 0.30 C ATOM 1571 C LEU A 100 -4.166 -1.317 4.634 1.00 0.29 C ATOM 1572 O LEU A 100 -5.265 -0.777 4.535 1.00 0.28 O ATOM 1573 CB LEU A 100 -2.995 -1.060 2.450 1.00 0.31 C ATOM 1574 CG LEU A 100 -1.960 -0.081 2.991 1.00 0.33 C ATOM 1575 CD1 LEU A 100 -0.739 -0.839 3.474 1.00 0.40 C ATOM 1576 CD2 LEU A 100 -1.574 0.926 1.919 1.00 0.40 C ATOM 0 H LEU A 100 -4.861 -2.591 1.901 1.00 0.34 H new ATOM 0 HA LEU A 100 -2.751 -2.693 3.793 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -2.542 -1.622 1.633 1.00 0.31 H new ATOM 0 HB3 LEU A 100 -3.820 -0.488 2.025 1.00 0.31 H new ATOM 0 HG LEU A 100 -2.391 0.463 3.831 1.00 0.33 H new ATOM 0 HD11 LEU A 100 -0.002 -0.134 3.860 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -1.029 -1.530 4.265 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -0.306 -1.398 2.645 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -0.834 1.619 2.320 1.00 0.40 H new ATOM 0 HD22 LEU A 100 -1.153 0.401 1.062 1.00 0.40 H new ATOM 0 HD23 LEU A 100 -2.458 1.481 1.606 1.00 0.40 H new ATOM 1588 N ASN A 101 -3.456 -1.304 5.743 1.00 0.30 N ATOM 1589 CA ASN A 101 -3.982 -0.694 6.940 1.00 0.32 C ATOM 1590 C ASN A 101 -3.126 0.496 7.316 1.00 0.30 C ATOM 1591 O ASN A 101 -1.994 0.350 7.807 1.00 0.35 O ATOM 1592 CB ASN A 101 -4.051 -1.686 8.105 1.00 0.38 C ATOM 1593 CG ASN A 101 -4.627 -1.055 9.362 1.00 0.44 C ATOM 1594 OD1 ASN A 101 -5.466 -0.158 9.294 1.00 1.01 O ATOM 1595 ND2 ASN A 101 -4.176 -1.513 10.517 1.00 0.89 N ATOM 0 H ASN A 101 -2.523 -1.705 5.838 1.00 0.30 H new ATOM 0 HA ASN A 101 -5.001 -0.367 6.733 1.00 0.32 H new ATOM 0 HB2 ASN A 101 -4.663 -2.541 7.816 1.00 0.38 H new ATOM 0 HB3 ASN A 101 -3.051 -2.066 8.316 1.00 0.38 H new ATOM 0 HD21 ASN A 101 -4.524 -1.121 11.392 1.00 0.89 H new ATOM 0 HD22 ASN A 101 -3.480 -2.258 10.533 1.00 0.89 H new ATOM 1602 N VAL A 102 -3.661 1.667 7.041 1.00 0.26 N ATOM 1603 CA VAL A 102 -2.965 2.909 7.317 1.00 0.25 C ATOM 1604 C VAL A 102 -3.770 3.767 8.278 1.00 0.32 C ATOM 1605 O VAL A 102 -4.952 3.510 8.508 1.00 0.36 O ATOM 1606 CB VAL A 102 -2.682 3.705 6.027 1.00 0.21 C ATOM 1607 CG1 VAL A 102 -1.750 2.936 5.109 1.00 0.21 C ATOM 1608 CG2 VAL A 102 -3.973 4.027 5.305 1.00 0.22 C ATOM 0 H VAL A 102 -4.584 1.786 6.623 1.00 0.26 H new ATOM 0 HA VAL A 102 -2.010 2.649 7.773 1.00 0.25 H new ATOM 0 HB VAL A 102 -2.196 4.639 6.310 1.00 0.21 H new ATOM 0 HG11 VAL A 102 -1.566 3.519 4.206 1.00 0.21 H new ATOM 0 HG12 VAL A 102 -0.805 2.752 5.621 1.00 0.21 H new ATOM 0 HG13 VAL A 102 -2.208 1.984 4.840 1.00 0.21 H new ATOM 0 HG21 VAL A 102 -3.752 4.589 4.398 1.00 0.22 H new ATOM 0 HG22 VAL A 102 -4.484 3.101 5.043 1.00 0.22 H new ATOM 0 HG23 VAL A 102 -4.614 4.624 5.954 1.00 0.22 H new ATOM 1618 N GLY A 103 -3.128 4.766 8.854 1.00 0.38 N ATOM 1619 CA GLY A 103 -3.825 5.671 9.740 1.00 0.50 C ATOM 1620 C GLY A 103 -3.447 5.466 11.187 1.00 0.65 C ATOM 1621 O GLY A 103 -2.325 5.772 11.588 1.00 0.90 O ATOM 0 H GLY A 103 -2.137 4.968 8.725 1.00 0.38 H new ATOM 0 HA2 GLY A 103 -3.604 6.699 9.452 1.00 0.50 H new ATOM 0 HA3 GLY A 103 -4.900 5.532 9.625 1.00 0.50 H new ATOM 1625 N SER A 104 -4.376 4.944 11.971 1.00 0.67 N ATOM 1626 CA SER A 104 -4.153 4.745 13.393 1.00 0.79 C ATOM 1627 C SER A 104 -4.922 3.529 13.895 1.00 0.79 C ATOM 1628 O SER A 104 -5.665 2.900 13.139 1.00 0.74 O ATOM 1629 CB SER A 104 -4.582 5.992 14.171 1.00 0.99 C ATOM 1630 OG SER A 104 -3.884 7.138 13.718 1.00 1.69 O ATOM 0 H SER A 104 -5.296 4.649 11.644 1.00 0.67 H new ATOM 0 HA SER A 104 -3.089 4.571 13.553 1.00 0.79 H new ATOM 0 HB2 SER A 104 -5.655 6.146 14.055 1.00 0.99 H new ATOM 0 HB3 SER A 104 -4.394 5.844 15.234 1.00 0.99 H new ATOM 0 HG SER A 104 -4.176 7.922 14.228 1.00 1.69 H new ATOM 1636 N SER A 105 -4.732 3.188 15.158 1.00 0.95 N ATOM 1637 CA SER A 105 -5.475 2.096 15.767 1.00 1.05 C ATOM 1638 C SER A 105 -6.947 2.476 15.937 1.00 1.13 C ATOM 1639 O SER A 105 -7.841 1.687 15.628 1.00 1.21 O ATOM 1640 CB SER A 105 -4.858 1.730 17.118 1.00 1.24 C ATOM 1641 OG SER A 105 -3.479 1.420 16.977 1.00 1.56 O ATOM 0 H SER A 105 -4.071 3.650 15.782 1.00 0.95 H new ATOM 0 HA SER A 105 -5.420 1.228 15.110 1.00 1.05 H new ATOM 0 HB2 SER A 105 -4.979 2.560 17.815 1.00 1.24 H new ATOM 0 HB3 SER A 105 -5.385 0.876 17.544 1.00 1.24 H new ATOM 0 HG SER A 105 -3.104 1.191 17.853 1.00 1.56 H new ATOM 1647 N ILE A 106 -7.190 3.699 16.404 1.00 1.17 N ATOM 1648 CA ILE A 106 -8.555 4.177 16.627 1.00 1.29 C ATOM 1649 C ILE A 106 -9.299 4.395 15.310 1.00 1.21 C ATOM 1650 O ILE A 106 -10.524 4.278 15.252 1.00 1.34 O ATOM 1651 CB ILE A 106 -8.579 5.490 17.441 1.00 1.42 C ATOM 1652 CG1 ILE A 106 -7.777 6.586 16.729 1.00 1.33 C ATOM 1653 CG2 ILE A 106 -8.038 5.250 18.842 1.00 1.54 C ATOM 1654 CD1 ILE A 106 -7.812 7.923 17.437 1.00 1.65 C ATOM 0 H ILE A 106 -6.463 4.376 16.635 1.00 1.17 H new ATOM 0 HA ILE A 106 -9.059 3.397 17.198 1.00 1.29 H new ATOM 0 HB ILE A 106 -9.612 5.828 17.522 1.00 1.42 H new ATOM 0 HG12 ILE A 106 -6.741 6.262 16.634 1.00 1.33 H new ATOM 0 HG13 ILE A 106 -8.166 6.710 15.718 1.00 1.33 H new ATOM 0 HG21 ILE A 106 -8.060 6.183 19.405 1.00 1.54 H new ATOM 0 HG22 ILE A 106 -8.654 4.506 19.347 1.00 1.54 H new ATOM 0 HG23 ILE A 106 -7.012 4.889 18.779 1.00 1.54 H new ATOM 0 HD11 ILE A 106 -7.223 8.648 16.875 1.00 1.65 H new ATOM 0 HD12 ILE A 106 -8.843 8.270 17.508 1.00 1.65 H new ATOM 0 HD13 ILE A 106 -7.395 7.815 18.438 1.00 1.65 H new ATOM 1666 N LYS A 107 -8.556 4.713 14.258 1.00 1.03 N ATOM 1667 CA LYS A 107 -9.140 4.920 12.941 1.00 0.98 C ATOM 1668 C LYS A 107 -8.296 4.189 11.907 1.00 0.82 C ATOM 1669 O LYS A 107 -7.194 4.626 11.568 1.00 0.77 O ATOM 1670 CB LYS A 107 -9.212 6.424 12.629 1.00 1.09 C ATOM 1671 CG LYS A 107 -10.086 6.795 11.430 1.00 1.56 C ATOM 1672 CD LYS A 107 -9.395 6.532 10.101 1.00 1.87 C ATOM 1673 CE LYS A 107 -10.276 6.920 8.921 1.00 1.81 C ATOM 1674 NZ LYS A 107 -10.549 8.382 8.876 1.00 2.29 N ATOM 0 H LYS A 107 -7.544 4.833 14.293 1.00 1.03 H new ATOM 0 HA LYS A 107 -10.155 4.523 12.916 1.00 0.98 H new ATOM 0 HB2 LYS A 107 -9.589 6.945 13.509 1.00 1.09 H new ATOM 0 HB3 LYS A 107 -8.201 6.791 12.450 1.00 1.09 H new ATOM 0 HG2 LYS A 107 -11.015 6.226 11.472 1.00 1.56 H new ATOM 0 HG3 LYS A 107 -10.355 7.849 11.493 1.00 1.56 H new ATOM 0 HD2 LYS A 107 -8.462 7.094 10.059 1.00 1.87 H new ATOM 0 HD3 LYS A 107 -9.135 5.476 10.029 1.00 1.87 H new ATOM 0 HE2 LYS A 107 -9.792 6.614 7.993 1.00 1.81 H new ATOM 0 HE3 LYS A 107 -11.220 6.378 8.982 1.00 1.81 H new ATOM 0 HZ1 LYS A 107 -10.990 8.625 7.966 1.00 2.29 H new ATOM 0 HZ2 LYS A 107 -11.192 8.639 9.652 1.00 2.29 H new ATOM 0 HZ3 LYS A 107 -9.656 8.905 8.979 1.00 2.29 H new ATOM 1688 N SER A 108 -8.821 3.087 11.405 1.00 0.80 N ATOM 1689 CA SER A 108 -8.080 2.236 10.495 1.00 0.69 C ATOM 1690 C SER A 108 -8.582 2.418 9.071 1.00 0.60 C ATOM 1691 O SER A 108 -9.752 2.172 8.774 1.00 0.74 O ATOM 1692 CB SER A 108 -8.216 0.779 10.928 1.00 0.78 C ATOM 1693 OG SER A 108 -7.882 0.630 12.300 1.00 1.43 O ATOM 0 H SER A 108 -9.764 2.759 11.614 1.00 0.80 H new ATOM 0 HA SER A 108 -7.027 2.517 10.523 1.00 0.69 H new ATOM 0 HB2 SER A 108 -9.237 0.438 10.758 1.00 0.78 H new ATOM 0 HB3 SER A 108 -7.565 0.151 10.320 1.00 0.78 H new ATOM 0 HG SER A 108 -7.207 1.296 12.547 1.00 1.43 H new ATOM 1699 N ILE A 109 -7.699 2.874 8.203 1.00 0.44 N ATOM 1700 CA ILE A 109 -8.039 3.079 6.809 1.00 0.39 C ATOM 1701 C ILE A 109 -7.602 1.866 6.011 1.00 0.35 C ATOM 1702 O ILE A 109 -6.408 1.573 5.935 1.00 0.34 O ATOM 1703 CB ILE A 109 -7.334 4.317 6.228 1.00 0.37 C ATOM 1704 CG1 ILE A 109 -7.158 5.395 7.291 1.00 0.41 C ATOM 1705 CG2 ILE A 109 -8.123 4.870 5.051 1.00 0.40 C ATOM 1706 CD1 ILE A 109 -6.083 6.390 6.938 1.00 0.42 C ATOM 0 H ILE A 109 -6.736 3.110 8.441 1.00 0.44 H new ATOM 0 HA ILE A 109 -9.117 3.229 6.745 1.00 0.39 H new ATOM 0 HB ILE A 109 -6.346 4.012 5.883 1.00 0.37 H new ATOM 0 HG12 ILE A 109 -8.103 5.921 7.429 1.00 0.41 H new ATOM 0 HG13 ILE A 109 -6.913 4.924 8.243 1.00 0.41 H new ATOM 0 HG21 ILE A 109 -7.613 5.746 4.650 1.00 0.40 H new ATOM 0 HG22 ILE A 109 -8.201 4.108 4.275 1.00 0.40 H new ATOM 0 HG23 ILE A 109 -9.122 5.153 5.383 1.00 0.40 H new ATOM 0 HD11 ILE A 109 -6.002 7.134 7.730 1.00 0.42 H new ATOM 0 HD12 ILE A 109 -5.130 5.872 6.827 1.00 0.42 H new ATOM 0 HD13 ILE A 109 -6.338 6.884 6.001 1.00 0.42 H new ATOM 1718 N LEU A 110 -8.553 1.158 5.429 1.00 0.36 N ATOM 1719 CA LEU A 110 -8.237 -0.055 4.698 1.00 0.31 C ATOM 1720 C LEU A 110 -8.367 0.166 3.192 1.00 0.31 C ATOM 1721 O LEU A 110 -9.456 0.431 2.681 1.00 0.37 O ATOM 1722 CB LEU A 110 -9.147 -1.202 5.150 1.00 0.34 C ATOM 1723 CG LEU A 110 -9.084 -1.536 6.644 1.00 0.43 C ATOM 1724 CD1 LEU A 110 -9.979 -2.723 6.963 1.00 0.65 C ATOM 1725 CD2 LEU A 110 -7.655 -1.821 7.073 1.00 0.83 C ATOM 0 H LEU A 110 -9.544 1.400 5.448 1.00 0.36 H new ATOM 0 HA LEU A 110 -7.203 -0.323 4.914 1.00 0.31 H new ATOM 0 HB2 LEU A 110 -10.176 -0.950 4.894 1.00 0.34 H new ATOM 0 HB3 LEU A 110 -8.887 -2.096 4.583 1.00 0.34 H new ATOM 0 HG LEU A 110 -9.443 -0.670 7.201 1.00 0.43 H new ATOM 0 HD11 LEU A 110 -9.922 -2.946 8.028 1.00 0.65 H new ATOM 0 HD12 LEU A 110 -11.009 -2.484 6.697 1.00 0.65 H new ATOM 0 HD13 LEU A 110 -9.649 -3.591 6.392 1.00 0.65 H new ATOM 0 HD21 LEU A 110 -7.635 -2.056 8.137 1.00 0.83 H new ATOM 0 HD22 LEU A 110 -7.267 -2.668 6.507 1.00 0.83 H new ATOM 0 HD23 LEU A 110 -7.036 -0.944 6.883 1.00 0.83 H new ATOM 1737 N LEU A 111 -7.246 0.057 2.493 1.00 0.28 N ATOM 1738 CA LEU A 111 -7.205 0.308 1.047 1.00 0.30 C ATOM 1739 C LEU A 111 -6.265 -0.673 0.345 1.00 0.30 C ATOM 1740 O LEU A 111 -5.265 -1.067 0.901 1.00 0.61 O ATOM 1741 CB LEU A 111 -6.740 1.749 0.771 1.00 0.52 C ATOM 1742 CG LEU A 111 -5.615 2.256 1.682 1.00 0.40 C ATOM 1743 CD1 LEU A 111 -4.728 3.256 0.966 1.00 0.48 C ATOM 1744 CD2 LEU A 111 -6.196 2.904 2.920 1.00 0.62 C ATOM 0 H LEU A 111 -6.347 -0.204 2.899 1.00 0.28 H new ATOM 0 HA LEU A 111 -8.212 0.168 0.654 1.00 0.30 H new ATOM 0 HB2 LEU A 111 -6.405 1.814 -0.264 1.00 0.52 H new ATOM 0 HB3 LEU A 111 -7.596 2.416 0.872 1.00 0.52 H new ATOM 0 HG LEU A 111 -5.009 1.395 1.964 1.00 0.40 H new ATOM 0 HD11 LEU A 111 -3.942 3.594 1.641 1.00 0.48 H new ATOM 0 HD12 LEU A 111 -4.278 2.783 0.093 1.00 0.48 H new ATOM 0 HD13 LEU A 111 -5.326 4.110 0.648 1.00 0.48 H new ATOM 0 HD21 LEU A 111 -5.387 3.260 3.558 1.00 0.62 H new ATOM 0 HD22 LEU A 111 -6.825 3.745 2.629 1.00 0.62 H new ATOM 0 HD23 LEU A 111 -6.795 2.175 3.466 1.00 0.62 H new ATOM 1756 N PRO A 112 -6.588 -1.107 -0.878 1.00 0.34 N ATOM 1757 CA PRO A 112 -5.684 -1.937 -1.684 1.00 0.33 C ATOM 1758 C PRO A 112 -4.513 -1.114 -2.219 1.00 0.32 C ATOM 1759 O PRO A 112 -4.692 0.024 -2.658 1.00 0.33 O ATOM 1760 CB PRO A 112 -6.568 -2.425 -2.843 1.00 0.35 C ATOM 1761 CG PRO A 112 -7.966 -2.047 -2.471 1.00 0.81 C ATOM 1762 CD PRO A 112 -7.849 -0.854 -1.573 1.00 0.64 C ATOM 0 HA PRO A 112 -5.244 -2.752 -1.109 1.00 0.33 H new ATOM 0 HB2 PRO A 112 -6.273 -1.959 -3.783 1.00 0.35 H new ATOM 0 HB3 PRO A 112 -6.476 -3.503 -2.979 1.00 0.35 H new ATOM 0 HG2 PRO A 112 -8.555 -1.811 -3.357 1.00 0.81 H new ATOM 0 HG3 PRO A 112 -8.470 -2.869 -1.963 1.00 0.81 H new ATOM 0 HD2 PRO A 112 -7.822 0.078 -2.137 1.00 0.64 H new ATOM 0 HD3 PRO A 112 -8.688 -0.783 -0.880 1.00 0.64 H new ATOM 1770 N ILE A 113 -3.327 -1.710 -2.203 1.00 0.33 N ATOM 1771 CA ILE A 113 -2.088 -1.001 -2.523 1.00 0.29 C ATOM 1772 C ILE A 113 -2.038 -0.526 -3.990 1.00 0.30 C ATOM 1773 O ILE A 113 -1.207 0.309 -4.350 1.00 0.28 O ATOM 1774 CB ILE A 113 -0.855 -1.889 -2.203 1.00 0.30 C ATOM 1775 CG1 ILE A 113 0.445 -1.106 -2.355 1.00 0.26 C ATOM 1776 CG2 ILE A 113 -0.834 -3.133 -3.079 1.00 0.33 C ATOM 1777 CD1 ILE A 113 0.635 -0.044 -1.294 1.00 0.25 C ATOM 0 H ILE A 113 -3.194 -2.694 -1.969 1.00 0.33 H new ATOM 0 HA ILE A 113 -2.064 -0.109 -1.896 1.00 0.29 H new ATOM 0 HB ILE A 113 -0.940 -2.205 -1.163 1.00 0.30 H new ATOM 0 HG12 ILE A 113 1.285 -1.800 -2.318 1.00 0.26 H new ATOM 0 HG13 ILE A 113 0.464 -0.635 -3.338 1.00 0.26 H new ATOM 0 HG21 ILE A 113 0.040 -3.736 -2.833 1.00 0.33 H new ATOM 0 HG22 ILE A 113 -1.738 -3.716 -2.904 1.00 0.33 H new ATOM 0 HG23 ILE A 113 -0.789 -2.839 -4.128 1.00 0.33 H new ATOM 0 HD11 ILE A 113 1.579 0.474 -1.463 1.00 0.25 H new ATOM 0 HD12 ILE A 113 -0.185 0.672 -1.345 1.00 0.25 H new ATOM 0 HD13 ILE A 113 0.648 -0.512 -0.309 1.00 0.25 H new ATOM 1789 N GLU A 114 -2.939 -1.036 -4.827 1.00 0.36 N ATOM 1790 CA GLU A 114 -3.005 -0.610 -6.228 1.00 0.42 C ATOM 1791 C GLU A 114 -3.383 0.871 -6.325 1.00 0.33 C ATOM 1792 O GLU A 114 -3.056 1.551 -7.297 1.00 0.41 O ATOM 1793 CB GLU A 114 -4.001 -1.480 -7.024 1.00 0.57 C ATOM 1794 CG GLU A 114 -4.174 -1.052 -8.476 1.00 0.72 C ATOM 1795 CD GLU A 114 -2.887 -1.117 -9.280 1.00 1.47 C ATOM 1796 OE1 GLU A 114 -2.099 -0.155 -9.218 1.00 1.90 O ATOM 1797 OE2 GLU A 114 -2.653 -2.138 -9.962 1.00 1.87 O ATOM 0 H GLU A 114 -3.630 -1.739 -4.565 1.00 0.36 H new ATOM 0 HA GLU A 114 -2.016 -0.742 -6.668 1.00 0.42 H new ATOM 0 HB2 GLU A 114 -3.663 -2.516 -6.999 1.00 0.57 H new ATOM 0 HB3 GLU A 114 -4.971 -1.449 -6.529 1.00 0.57 H new ATOM 0 HG2 GLU A 114 -4.922 -1.689 -8.948 1.00 0.72 H new ATOM 0 HG3 GLU A 114 -4.560 -0.033 -8.503 1.00 0.72 H new ATOM 1804 N LEU A 115 -4.036 1.382 -5.297 1.00 0.24 N ATOM 1805 CA LEU A 115 -4.476 2.771 -5.292 1.00 0.24 C ATOM 1806 C LEU A 115 -3.457 3.659 -4.591 1.00 0.21 C ATOM 1807 O LEU A 115 -3.725 4.819 -4.281 1.00 0.29 O ATOM 1808 CB LEU A 115 -5.840 2.883 -4.616 1.00 0.30 C ATOM 1809 CG LEU A 115 -6.988 2.247 -5.394 1.00 0.39 C ATOM 1810 CD1 LEU A 115 -8.237 2.182 -4.537 1.00 0.93 C ATOM 1811 CD2 LEU A 115 -7.257 3.035 -6.666 1.00 1.03 C ATOM 0 H LEU A 115 -4.275 0.859 -4.454 1.00 0.24 H new ATOM 0 HA LEU A 115 -4.565 3.111 -6.324 1.00 0.24 H new ATOM 0 HB2 LEU A 115 -5.783 2.417 -3.632 1.00 0.30 H new ATOM 0 HB3 LEU A 115 -6.066 3.937 -4.457 1.00 0.30 H new ATOM 0 HG LEU A 115 -6.705 1.230 -5.666 1.00 0.39 H new ATOM 0 HD11 LEU A 115 -9.046 1.726 -5.107 1.00 0.93 H new ATOM 0 HD12 LEU A 115 -8.037 1.584 -3.648 1.00 0.93 H new ATOM 0 HD13 LEU A 115 -8.527 3.190 -4.239 1.00 0.93 H new ATOM 0 HD21 LEU A 115 -8.078 2.573 -7.214 1.00 1.03 H new ATOM 0 HD22 LEU A 115 -7.524 4.060 -6.409 1.00 1.03 H new ATOM 0 HD23 LEU A 115 -6.362 3.038 -7.288 1.00 1.03 H new ATOM 1823 N CYS A 116 -2.281 3.111 -4.351 1.00 0.24 N ATOM 1824 CA CYS A 116 -1.233 3.839 -3.667 1.00 0.23 C ATOM 1825 C CYS A 116 -0.019 4.010 -4.570 1.00 0.22 C ATOM 1826 O CYS A 116 0.321 3.122 -5.356 1.00 0.25 O ATOM 1827 CB CYS A 116 -0.832 3.101 -2.392 1.00 0.25 C ATOM 1828 SG CYS A 116 -2.225 2.639 -1.339 1.00 0.37 S ATOM 0 H CYS A 116 -2.028 2.160 -4.621 1.00 0.24 H new ATOM 0 HA CYS A 116 -1.613 4.827 -3.407 1.00 0.23 H new ATOM 0 HB2 CYS A 116 -0.282 2.200 -2.664 1.00 0.25 H new ATOM 0 HB3 CYS A 116 -0.151 3.730 -1.820 1.00 0.25 H new ATOM 0 HG CYS A 116 -3.009 3.664 -1.182 1.00 0.37 H new ATOM 1834 N SER A 117 0.614 5.162 -4.478 1.00 0.24 N ATOM 1835 CA SER A 117 1.882 5.385 -5.144 1.00 0.24 C ATOM 1836 C SER A 117 2.932 5.729 -4.100 1.00 0.24 C ATOM 1837 O SER A 117 2.630 6.366 -3.096 1.00 0.25 O ATOM 1838 CB SER A 117 1.762 6.510 -6.169 1.00 0.29 C ATOM 1839 OG SER A 117 0.523 6.438 -6.857 1.00 0.63 O ATOM 0 H SER A 117 0.270 5.961 -3.946 1.00 0.24 H new ATOM 0 HA SER A 117 2.176 4.480 -5.675 1.00 0.24 H new ATOM 0 HB2 SER A 117 1.849 7.474 -5.668 1.00 0.29 H new ATOM 0 HB3 SER A 117 2.583 6.446 -6.883 1.00 0.29 H new ATOM 0 HG SER A 117 0.467 7.169 -7.507 1.00 0.63 H new ATOM 1845 N ILE A 118 4.151 5.304 -4.327 1.00 0.26 N ATOM 1846 CA ILE A 118 5.221 5.542 -3.387 1.00 0.28 C ATOM 1847 C ILE A 118 6.021 6.765 -3.823 1.00 0.34 C ATOM 1848 O ILE A 118 6.222 6.990 -5.015 1.00 0.36 O ATOM 1849 CB ILE A 118 6.141 4.297 -3.284 1.00 0.29 C ATOM 1850 CG1 ILE A 118 7.050 4.402 -2.063 1.00 0.29 C ATOM 1851 CG2 ILE A 118 6.966 4.112 -4.553 1.00 0.39 C ATOM 1852 CD1 ILE A 118 7.936 3.190 -1.842 1.00 0.31 C ATOM 0 H ILE A 118 4.429 4.787 -5.161 1.00 0.26 H new ATOM 0 HA ILE A 118 4.795 5.729 -2.401 1.00 0.28 H new ATOM 0 HB ILE A 118 5.505 3.419 -3.169 1.00 0.29 H new ATOM 0 HG12 ILE A 118 7.681 5.285 -2.168 1.00 0.29 H new ATOM 0 HG13 ILE A 118 6.434 4.554 -1.177 1.00 0.29 H new ATOM 0 HG21 ILE A 118 7.600 3.232 -4.450 1.00 0.39 H new ATOM 0 HG22 ILE A 118 6.299 3.981 -5.405 1.00 0.39 H new ATOM 0 HG23 ILE A 118 7.590 4.992 -4.713 1.00 0.39 H new ATOM 0 HD11 ILE A 118 8.550 3.345 -0.955 1.00 0.31 H new ATOM 0 HD12 ILE A 118 7.314 2.305 -1.703 1.00 0.31 H new ATOM 0 HD13 ILE A 118 8.581 3.048 -2.709 1.00 0.31 H new ATOM 1864 N GLU A 119 6.441 7.573 -2.867 1.00 0.41 N ATOM 1865 CA GLU A 119 7.240 8.743 -3.180 1.00 0.50 C ATOM 1866 C GLU A 119 8.680 8.311 -3.431 1.00 0.55 C ATOM 1867 O GLU A 119 9.371 7.872 -2.511 1.00 0.56 O ATOM 1868 CB GLU A 119 7.170 9.753 -2.028 1.00 0.60 C ATOM 1869 CG GLU A 119 8.131 10.924 -2.167 1.00 1.23 C ATOM 1870 CD GLU A 119 7.847 11.799 -3.372 1.00 1.69 C ATOM 1871 OE1 GLU A 119 7.059 12.760 -3.233 1.00 2.02 O ATOM 1872 OE2 GLU A 119 8.385 11.511 -4.463 1.00 2.46 O ATOM 0 H GLU A 119 6.244 7.442 -1.875 1.00 0.41 H new ATOM 0 HA GLU A 119 6.851 9.225 -4.077 1.00 0.50 H new ATOM 0 HB2 GLU A 119 6.153 10.138 -1.959 1.00 0.60 H new ATOM 0 HB3 GLU A 119 7.379 9.235 -1.092 1.00 0.60 H new ATOM 0 HG2 GLU A 119 8.081 11.534 -1.265 1.00 1.23 H new ATOM 0 HG3 GLU A 119 9.149 10.542 -2.237 1.00 1.23 H new ATOM 1879 N GLU A 120 9.137 8.438 -4.670 1.00 0.68 N ATOM 1880 CA GLU A 120 10.469 7.970 -5.014 1.00 0.84 C ATOM 1881 C GLU A 120 11.506 9.035 -4.694 1.00 0.98 C ATOM 1882 O GLU A 120 12.706 8.764 -4.705 1.00 1.08 O ATOM 1883 CB GLU A 120 10.565 7.548 -6.482 1.00 1.10 C ATOM 1884 CG GLU A 120 10.526 8.695 -7.472 1.00 1.26 C ATOM 1885 CD GLU A 120 10.825 8.240 -8.886 1.00 2.16 C ATOM 1886 OE1 GLU A 120 11.901 7.653 -9.117 1.00 2.36 O ATOM 1887 OE2 GLU A 120 9.985 8.472 -9.779 1.00 2.92 O ATOM 0 H GLU A 120 8.614 8.854 -5.440 1.00 0.68 H new ATOM 0 HA GLU A 120 10.672 7.087 -4.408 1.00 0.84 H new ATOM 0 HB2 GLU A 120 11.491 6.992 -6.627 1.00 1.10 H new ATOM 0 HB3 GLU A 120 9.745 6.865 -6.705 1.00 1.10 H new ATOM 0 HG2 GLU A 120 9.543 9.164 -7.443 1.00 1.26 H new ATOM 0 HG3 GLU A 120 11.250 9.454 -7.175 1.00 1.26 H new