USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 597 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 109 LYS NZ :NH3+ -171:sc= 2.1 (180deg=1.19) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.23 K(o=4.3,f=-3.8) USER MOD Set 2.1: A 77 SER OG : rot 25:sc= 0.0631 USER MOD Set 2.2: A 115 ASN : amide:sc= 0.509 X(o=0.57,f=0.31) USER MOD Set 3.1: A 55 SER OG : rot -170:sc= 0.188 USER MOD Set 3.2: A 57 THR OG1 : rot -170:sc= 0.936 USER MOD Single : A 56 ASN : amide:sc= -0.0353 X(o=-0.035,f=-0.24) USER MOD Single : A 64 ASN : amide:sc= -0.0135 K(o=-0.014,f=-0.64) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.147 K(o=-0.15,f=-4.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.00582 USER MOD Single : A 71 ASN : amide:sc= -0.0335 K(o=-0.033,f=-0.55) USER MOD Single : A 79 HIS :FLIP no HE2:sc= -5.71 F(o=-7.1!,f=-5.7) USER MOD Single : A 81 CYS SG : rot 160:sc= 0 USER MOD Single : A 83 MET CE :methyl -150:sc= -0.168 (180deg=-0.727) USER MOD Single : A 84 LYS NZ :NH3+ 141:sc= 1.27 (180deg=0.876) USER MOD Single : A 87 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.106) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.057 USER MOD Single : A 96 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 HIS : +bothHN:sc= 1.85 K(o=1.8,f=-11!) USER MOD Single : A 105 HIS :FLIP no HD1:sc= -1.76 F(o=-2.3,f=-1.8) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -170:sc= -0.0726 USER MOD Single : A 120 SER OG : rot 41:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.690 8.033 2.704 1.00 0.00 N ATOM 2 CA SER A 55 -12.462 7.455 1.378 1.00 0.00 C ATOM 3 C SER A 55 -12.644 5.970 1.422 1.00 0.00 C ATOM 4 O SER A 55 -13.105 5.409 2.415 1.00 0.00 O ATOM 5 CB SER A 55 -11.030 7.756 0.900 1.00 0.00 C ATOM 6 OG SER A 55 -10.947 7.639 -0.517 1.00 0.00 O ATOM 0 HA SER A 55 -13.182 7.898 0.690 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.741 8.761 1.206 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.330 7.066 1.370 1.00 0.00 H new ATOM 0 HG SER A 55 -10.008 7.676 -0.794 1.00 0.00 H new ATOM 14 N ASN A 56 -12.281 5.302 0.314 1.00 0.00 N ATOM 15 CA ASN A 56 -12.351 3.873 0.252 1.00 0.00 C ATOM 16 C ASN A 56 -11.348 3.448 -0.779 1.00 0.00 C ATOM 17 O ASN A 56 -11.334 2.307 -1.241 1.00 0.00 O ATOM 18 CB ASN A 56 -13.766 3.391 -0.116 1.00 0.00 C ATOM 19 CG ASN A 56 -13.851 1.886 0.103 1.00 0.00 C ATOM 20 OD1 ASN A 56 -14.065 1.121 -0.837 1.00 0.00 O ATOM 21 ND2 ASN A 56 -13.744 1.450 1.378 1.00 0.00 N ATOM 0 H ASN A 56 -11.940 5.748 -0.538 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.129 3.431 1.224 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.509 3.903 0.496 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.988 3.633 -1.155 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.841 0.456 1.587 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.566 2.115 2.131 1.00 0.00 H new ATOM 28 N THR A 57 -10.412 4.363 -1.102 1.00 0.00 N ATOM 29 CA THR A 57 -9.451 4.093 -2.128 1.00 0.00 C ATOM 30 C THR A 57 -8.121 4.548 -1.616 1.00 0.00 C ATOM 31 O THR A 57 -8.036 5.487 -0.821 1.00 0.00 O ATOM 32 CB THR A 57 -9.754 4.817 -3.454 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.522 6.215 -3.327 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.218 4.700 -3.889 1.00 0.00 C ATOM 0 H THR A 57 -10.322 5.277 -0.659 1.00 0.00 H new ATOM 0 HA THR A 57 -9.474 3.026 -2.348 1.00 0.00 H new ATOM 0 HB THR A 57 -9.101 4.339 -4.184 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.866 6.677 -4.120 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.362 5.232 -4.829 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.475 3.649 -4.024 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.861 5.135 -3.124 1.00 0.00 H new ATOM 42 N ILE A 58 -7.049 3.863 -2.055 1.00 0.00 N ATOM 43 CA ILE A 58 -5.720 4.327 -1.781 1.00 0.00 C ATOM 44 C ILE A 58 -4.913 4.026 -2.999 1.00 0.00 C ATOM 45 O ILE A 58 -5.293 3.183 -3.812 1.00 0.00 O ATOM 46 CB ILE A 58 -5.044 3.691 -0.555 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.019 2.931 0.352 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.190 4.691 0.259 1.00 0.00 C ATOM 49 CD1 ILE A 58 -5.327 2.127 1.455 1.00 0.00 C ATOM 0 H ILE A 58 -7.098 2.998 -2.593 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.781 5.389 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.360 2.953 -0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.707 3.642 0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.618 2.255 -0.258 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.741 4.178 1.110 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.403 5.098 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.823 5.503 0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.077 1.615 2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.660 1.392 1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.750 2.800 2.089 1.00 0.00 H new ATOM 61 N ARG A 59 -3.783 4.734 -3.176 1.00 0.00 N ATOM 62 CA ARG A 59 -3.054 4.608 -4.396 1.00 0.00 C ATOM 63 C ARG A 59 -1.725 4.050 -4.065 1.00 0.00 C ATOM 64 O ARG A 59 -0.988 4.620 -3.276 1.00 0.00 O ATOM 65 CB ARG A 59 -2.905 5.952 -5.084 1.00 0.00 C ATOM 66 CG ARG A 59 -4.224 6.434 -5.679 1.00 0.00 C ATOM 67 CD ARG A 59 -4.528 7.909 -5.401 1.00 0.00 C ATOM 68 NE ARG A 59 -4.947 8.029 -3.970 1.00 0.00 N ATOM 69 CZ ARG A 59 -6.171 7.595 -3.556 1.00 0.00 C ATOM 70 NH1 ARG A 59 -7.102 7.184 -4.438 1.00 0.00 N ATOM 71 NH2 ARG A 59 -6.493 7.649 -2.246 1.00 0.00 N ATOM 0 H ARG A 59 -3.383 5.377 -2.493 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.588 3.952 -5.083 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.539 6.688 -4.368 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.157 5.875 -5.873 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.205 6.274 -6.757 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.035 5.825 -5.281 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.648 8.523 -5.594 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.318 8.267 -6.061 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.306 8.442 -3.293 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.897 7.194 -5.437 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.012 6.863 -4.107 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.821 8.014 -1.570 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.408 7.325 -1.932 1.00 0.00 H new ATOM 85 N VAL A 60 -1.383 2.930 -4.717 1.00 0.00 N ATOM 86 CA VAL A 60 -0.165 2.244 -4.403 1.00 0.00 C ATOM 87 C VAL A 60 0.831 2.600 -5.453 1.00 0.00 C ATOM 88 O VAL A 60 0.699 2.187 -6.600 1.00 0.00 O ATOM 89 CB VAL A 60 -0.296 0.717 -4.351 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.884 0.033 -3.649 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.609 0.240 -3.713 1.00 0.00 C ATOM 0 H VAL A 60 -1.940 2.499 -5.455 1.00 0.00 H new ATOM 0 HA VAL A 60 0.135 2.557 -3.403 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.296 0.418 -5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.730 -1.046 -3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.807 0.266 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.954 0.392 -2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.636 -0.850 -3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.671 0.609 -2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.453 0.622 -4.288 1.00 0.00 H new ATOM 101 N PHE A 61 1.872 3.346 -5.044 1.00 0.00 N ATOM 102 CA PHE A 61 2.929 3.709 -5.943 1.00 0.00 C ATOM 103 C PHE A 61 3.999 2.675 -5.778 1.00 0.00 C ATOM 104 O PHE A 61 4.201 2.143 -4.688 1.00 0.00 O ATOM 105 CB PHE A 61 3.528 5.079 -5.594 1.00 0.00 C ATOM 106 CG PHE A 61 2.589 6.134 -6.078 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.348 6.325 -5.460 1.00 0.00 C ATOM 108 CD2 PHE A 61 2.964 7.028 -7.070 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.536 7.386 -5.804 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.163 8.112 -7.389 1.00 0.00 C ATOM 111 CZ PHE A 61 0.955 8.298 -6.748 1.00 0.00 C ATOM 0 H PHE A 61 1.984 3.699 -4.093 1.00 0.00 H new ATOM 0 HA PHE A 61 2.541 3.763 -6.960 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.676 5.166 -4.518 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.506 5.197 -6.061 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.020 5.630 -4.701 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.893 6.877 -7.600 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.429 7.502 -5.333 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.485 8.815 -8.143 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.341 9.154 -6.985 1.00 0.00 H new ATOM 121 N LEU A 62 4.708 2.317 -6.871 1.00 0.00 N ATOM 122 CA LEU A 62 5.563 1.170 -6.802 1.00 0.00 C ATOM 123 C LEU A 62 6.976 1.639 -6.623 1.00 0.00 C ATOM 124 O LEU A 62 7.296 2.822 -6.750 1.00 0.00 O ATOM 125 CB LEU A 62 5.476 0.316 -8.073 1.00 0.00 C ATOM 126 CG LEU A 62 4.535 -0.883 -7.940 1.00 0.00 C ATOM 127 CD1 LEU A 62 3.072 -0.488 -7.732 1.00 0.00 C ATOM 128 CD2 LEU A 62 4.789 -1.947 -8.994 1.00 0.00 C ATOM 0 H LEU A 62 4.691 2.801 -7.768 1.00 0.00 H new ATOM 0 HA LEU A 62 5.243 0.553 -5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.139 0.942 -8.899 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.473 -0.042 -8.330 1.00 0.00 H new ATOM 0 HG LEU A 62 4.788 -1.379 -7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.461 -1.387 -7.646 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.981 0.102 -6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.730 0.103 -8.582 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.093 -2.774 -8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.645 -1.518 -9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.811 -2.314 -8.902 1.00 0.00 H new ATOM 140 N PRO A 63 7.816 0.623 -6.445 1.00 0.00 N ATOM 141 CA PRO A 63 9.177 1.059 -6.225 1.00 0.00 C ATOM 142 C PRO A 63 9.749 1.242 -7.608 1.00 0.00 C ATOM 143 O PRO A 63 10.820 1.821 -7.775 1.00 0.00 O ATOM 144 CB PRO A 63 9.875 -0.107 -5.556 1.00 0.00 C ATOM 145 CG PRO A 63 8.779 -1.050 -5.063 1.00 0.00 C ATOM 146 CD PRO A 63 7.480 -0.584 -5.716 1.00 0.00 C ATOM 0 HA PRO A 63 9.273 1.965 -5.626 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.537 -0.616 -6.257 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.493 0.236 -4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.003 -2.081 -5.337 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.700 -1.018 -3.976 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.083 -1.347 -6.385 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.714 -0.388 -4.966 1.00 0.00 H new ATOM 154 N ASN A 64 9.019 0.784 -8.647 1.00 0.00 N ATOM 155 CA ASN A 64 9.454 0.983 -10.000 1.00 0.00 C ATOM 156 C ASN A 64 8.892 2.300 -10.460 1.00 0.00 C ATOM 157 O ASN A 64 8.798 2.551 -11.659 1.00 0.00 O ATOM 158 CB ASN A 64 8.953 -0.107 -10.963 1.00 0.00 C ATOM 159 CG ASN A 64 9.262 -1.469 -10.351 1.00 0.00 C ATOM 160 OD1 ASN A 64 8.549 -1.944 -9.466 1.00 0.00 O ATOM 161 ND2 ASN A 64 10.339 -2.130 -10.850 1.00 0.00 N ATOM 0 H ASN A 64 8.137 0.281 -8.552 1.00 0.00 H new ATOM 0 HA ASN A 64 10.543 0.952 -10.012 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.881 -0.001 -11.131 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.439 -0.008 -11.934 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.582 -3.054 -10.492 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.905 -1.703 -11.583 1.00 0.00 H new ATOM 168 N LYS A 65 8.434 3.130 -9.495 1.00 0.00 N ATOM 169 CA LYS A 65 7.960 4.453 -9.794 1.00 0.00 C ATOM 170 C LYS A 65 6.566 4.337 -10.328 1.00 0.00 C ATOM 171 O LYS A 65 5.969 5.322 -10.760 1.00 0.00 O ATOM 172 CB LYS A 65 8.824 5.262 -10.769 1.00 0.00 C ATOM 173 CG LYS A 65 10.323 5.182 -10.465 1.00 0.00 C ATOM 174 CD LYS A 65 10.728 5.918 -9.183 1.00 0.00 C ATOM 175 CE LYS A 65 11.019 4.982 -8.007 1.00 0.00 C ATOM 176 NZ LYS A 65 11.453 5.756 -6.848 1.00 0.00 N ATOM 0 H LYS A 65 8.393 2.883 -8.506 1.00 0.00 H new ATOM 0 HA LYS A 65 8.005 5.013 -8.860 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.647 4.903 -11.783 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.510 6.306 -10.741 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.613 4.135 -10.380 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.879 5.599 -11.305 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.613 6.522 -9.384 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.931 6.606 -8.901 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.126 4.409 -7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.791 4.264 -8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.648 5.113 -6.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.317 6.284 -7.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.703 6.424 -6.576 1.00 0.00 H new ATOM 190 N GLN A 66 5.997 3.117 -10.265 1.00 0.00 N ATOM 191 CA GLN A 66 4.715 2.885 -10.860 1.00 0.00 C ATOM 192 C GLN A 66 3.666 3.214 -9.862 1.00 0.00 C ATOM 193 O GLN A 66 3.940 3.800 -8.823 1.00 0.00 O ATOM 194 CB GLN A 66 4.519 1.462 -11.383 1.00 0.00 C ATOM 195 CG GLN A 66 4.525 1.379 -12.908 1.00 0.00 C ATOM 196 CD GLN A 66 3.095 1.560 -13.391 1.00 0.00 C ATOM 197 OE1 GLN A 66 2.441 2.556 -13.081 1.00 0.00 O ATOM 198 NE2 GLN A 66 2.571 0.541 -14.109 1.00 0.00 N ATOM 0 H GLN A 66 6.415 2.305 -9.811 1.00 0.00 H new ATOM 0 HA GLN A 66 4.644 3.529 -11.737 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.309 0.824 -10.987 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.574 1.070 -11.007 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.171 2.149 -13.330 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.920 0.418 -13.236 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.148 -0.266 -14.345 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.599 0.580 -14.415 1.00 0.00 H new ATOM 207 N ARG A 67 2.395 2.974 -10.234 1.00 0.00 N ATOM 208 CA ARG A 67 1.325 3.299 -9.349 1.00 0.00 C ATOM 209 C ARG A 67 0.086 2.631 -9.847 1.00 0.00 C ATOM 210 O ARG A 67 0.037 2.134 -10.974 1.00 0.00 O ATOM 211 CB ARG A 67 1.063 4.802 -9.234 1.00 0.00 C ATOM 212 CG ARG A 67 0.926 5.511 -10.584 1.00 0.00 C ATOM 213 CD ARG A 67 2.095 6.451 -10.897 1.00 0.00 C ATOM 214 NE ARG A 67 1.728 7.250 -12.105 1.00 0.00 N ATOM 215 CZ ARG A 67 1.761 6.692 -13.347 1.00 0.00 C ATOM 216 NH1 ARG A 67 2.222 5.440 -13.534 1.00 0.00 N ATOM 217 NH2 ARG A 67 1.385 7.419 -14.423 1.00 0.00 N ATOM 0 H ARG A 67 2.115 2.565 -11.125 1.00 0.00 H new ATOM 0 HA ARG A 67 1.608 2.952 -8.355 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.151 4.959 -8.658 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.877 5.261 -8.674 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.849 4.763 -11.373 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.003 6.082 -10.594 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.294 7.108 -10.050 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.006 5.880 -11.079 1.00 0.00 H new ATOM 0 HE ARG A 67 1.449 8.225 -11.998 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.553 4.894 -12.738 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.240 5.038 -14.471 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.077 8.384 -14.304 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.409 7.002 -15.354 1.00 0.00 H new ATOM 231 N THR A 68 -0.932 2.583 -8.968 1.00 0.00 N ATOM 232 CA THR A 68 -2.225 2.086 -9.337 1.00 0.00 C ATOM 233 C THR A 68 -3.131 2.386 -8.184 1.00 0.00 C ATOM 234 O THR A 68 -2.670 2.627 -7.070 1.00 0.00 O ATOM 235 CB THR A 68 -2.269 0.578 -9.640 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.547 0.213 -10.143 1.00 0.00 O ATOM 237 CG2 THR A 68 -1.919 -0.315 -8.442 1.00 0.00 C ATOM 0 H THR A 68 -0.860 2.889 -7.998 1.00 0.00 H new ATOM 0 HA THR A 68 -2.525 2.570 -10.266 1.00 0.00 H new ATOM 0 HB THR A 68 -1.496 0.408 -10.390 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.561 -0.748 -10.333 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.974 -1.362 -8.740 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.909 -0.087 -8.101 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.625 -0.131 -7.632 1.00 0.00 H new ATOM 245 N VAL A 69 -4.455 2.400 -8.429 1.00 0.00 N ATOM 246 CA VAL A 69 -5.379 2.682 -7.369 1.00 0.00 C ATOM 247 C VAL A 69 -6.021 1.393 -6.984 1.00 0.00 C ATOM 248 O VAL A 69 -6.275 0.530 -7.824 1.00 0.00 O ATOM 249 CB VAL A 69 -6.458 3.716 -7.725 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.091 3.495 -9.104 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.531 3.907 -6.633 1.00 0.00 C ATOM 0 H VAL A 69 -4.880 2.221 -9.339 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.817 3.129 -6.549 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.908 4.655 -7.779 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.843 4.262 -9.286 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.320 3.553 -9.872 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.561 2.512 -9.135 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.255 4.653 -6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.041 2.960 -6.454 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.056 4.243 -5.711 1.00 0.00 H new ATOM 261 N VAL A 70 -6.295 1.245 -5.677 1.00 0.00 N ATOM 262 CA VAL A 70 -6.886 0.038 -5.184 1.00 0.00 C ATOM 263 C VAL A 70 -8.079 0.427 -4.372 1.00 0.00 C ATOM 264 O VAL A 70 -8.179 1.558 -3.893 1.00 0.00 O ATOM 265 CB VAL A 70 -5.934 -0.786 -4.308 1.00 0.00 C ATOM 266 CG1 VAL A 70 -4.755 -1.375 -5.087 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.364 -0.009 -3.108 1.00 0.00 C ATOM 0 H VAL A 70 -6.110 1.953 -4.966 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.147 -0.589 -6.037 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.570 -1.591 -3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.120 -1.946 -4.409 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.129 -2.031 -5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.175 -0.568 -5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.700 -0.658 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.806 0.856 -3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.182 0.326 -2.470 1.00 0.00 H new ATOM 277 N ASN A 71 -9.003 -0.533 -4.183 1.00 0.00 N ATOM 278 CA ASN A 71 -10.166 -0.285 -3.384 1.00 0.00 C ATOM 279 C ASN A 71 -10.042 -1.146 -2.168 1.00 0.00 C ATOM 280 O ASN A 71 -9.470 -2.234 -2.219 1.00 0.00 O ATOM 281 CB ASN A 71 -11.479 -0.643 -4.096 1.00 0.00 C ATOM 282 CG ASN A 71 -11.645 0.292 -5.288 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.005 1.458 -5.134 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.374 -0.225 -6.517 1.00 0.00 N ATOM 0 H ASN A 71 -8.947 -1.472 -4.578 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.209 0.781 -3.158 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.461 -1.681 -4.427 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.322 -0.541 -3.413 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.467 0.359 -7.348 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.078 -1.197 -6.607 1.00 0.00 H new ATOM 291 N VAL A 72 -10.594 -0.671 -1.036 1.00 0.00 N ATOM 292 CA VAL A 72 -10.409 -1.361 0.206 1.00 0.00 C ATOM 293 C VAL A 72 -11.752 -1.874 0.633 1.00 0.00 C ATOM 294 O VAL A 72 -12.683 -1.107 0.863 1.00 0.00 O ATOM 295 CB VAL A 72 -9.815 -0.438 1.278 1.00 0.00 C ATOM 296 CG1 VAL A 72 -9.675 -1.094 2.655 1.00 0.00 C ATOM 297 CG2 VAL A 72 -8.420 0.080 0.900 1.00 0.00 C ATOM 0 H VAL A 72 -11.159 0.176 -0.979 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.703 -2.182 0.077 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.536 0.377 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.248 -0.378 3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.656 -1.409 3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.021 -1.962 2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.046 0.728 1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.742 -0.763 0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.481 0.643 -0.031 1.00 0.00 H new ATOM 369 N SER A 77 -6.590 -5.850 4.083 1.00 0.00 N ATOM 370 CA SER A 77 -5.288 -6.078 4.647 1.00 0.00 C ATOM 371 C SER A 77 -4.274 -5.823 3.595 1.00 0.00 C ATOM 372 O SER A 77 -4.314 -6.457 2.558 1.00 0.00 O ATOM 373 CB SER A 77 -5.014 -7.476 5.181 1.00 0.00 C ATOM 374 OG SER A 77 -6.039 -7.872 6.082 1.00 0.00 O ATOM 0 HA SER A 77 -5.240 -5.406 5.504 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.955 -8.183 4.354 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.049 -7.496 5.687 1.00 0.00 H new ATOM 0 HG SER A 77 -6.861 -7.378 5.880 1.00 0.00 H new ATOM 380 N LEU A 78 -3.165 -5.188 4.016 1.00 0.00 N ATOM 381 CA LEU A 78 -2.169 -4.676 3.117 1.00 0.00 C ATOM 382 C LEU A 78 -1.807 -5.732 2.111 1.00 0.00 C ATOM 383 O LEU A 78 -2.026 -5.556 0.928 1.00 0.00 O ATOM 384 CB LEU A 78 -0.919 -4.261 3.891 1.00 0.00 C ATOM 385 CG LEU A 78 -0.779 -2.750 4.065 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.632 -2.010 2.780 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.043 -2.066 4.545 1.00 0.00 C ATOM 0 H LEU A 78 -2.953 -5.025 5.000 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.574 -3.804 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.938 -4.731 4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.039 -4.641 3.373 1.00 0.00 H new ATOM 0 HG LEU A 78 0.073 -2.708 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.538 -0.943 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.259 -2.360 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.509 -2.185 2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.862 -0.996 4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.844 -2.234 3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.333 -2.476 5.512 1.00 0.00 H new ATOM 399 N HIS A 79 -1.334 -6.901 2.579 1.00 0.00 N ATOM 400 CA HIS A 79 -0.783 -7.891 1.692 1.00 0.00 C ATOM 401 C HIS A 79 -1.844 -8.305 0.716 1.00 0.00 C ATOM 402 O HIS A 79 -1.634 -8.221 -0.483 1.00 0.00 O ATOM 403 CB HIS A 79 -0.293 -9.156 2.418 1.00 0.00 C ATOM 404 CG HIS A 79 1.183 -9.383 2.284 1.00 0.00 C ATOM 405 ND1 HIS A 79 2.088 -9.800 3.192 1.00 0.00 N flip ATOM 406 CD2 HIS A 79 1.870 -9.101 1.137 1.00 0.00 C flip ATOM 407 CE1 HIS A 79 3.316 -9.746 2.595 1.00 0.00 C flip ATOM 408 NE2 HIS A 79 3.160 -9.282 1.367 1.00 0.00 N flip ATOM 0 H HIS A 79 -1.331 -7.164 3.564 1.00 0.00 H new ATOM 0 HA HIS A 79 0.078 -7.434 1.204 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.547 -9.081 3.475 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.824 -10.022 2.023 1.00 0.00 H new ATOM 0 HD1 HIS A 79 1.892 -10.100 4.147 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.434 -8.784 0.201 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.253 -10.033 3.049 1.00 0.00 H new ATOM 417 N ASP A 80 -3.039 -8.678 1.216 1.00 0.00 N ATOM 418 CA ASP A 80 -4.054 -9.215 0.352 1.00 0.00 C ATOM 419 C ASP A 80 -4.671 -8.074 -0.411 1.00 0.00 C ATOM 420 O ASP A 80 -5.321 -8.284 -1.431 1.00 0.00 O ATOM 421 CB ASP A 80 -5.167 -9.937 1.122 1.00 0.00 C ATOM 422 CG ASP A 80 -4.627 -11.282 1.587 1.00 0.00 C ATOM 423 OD1 ASP A 80 -3.738 -11.284 2.479 1.00 0.00 O ATOM 424 OD2 ASP A 80 -5.100 -12.320 1.055 1.00 0.00 O ATOM 0 H ASP A 80 -3.302 -8.611 2.199 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.581 -9.944 -0.306 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.488 -9.340 1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.041 -10.077 0.485 1.00 0.00 H new ATOM 429 N CYS A 81 -4.448 -6.831 0.057 1.00 0.00 N ATOM 430 CA CYS A 81 -5.050 -5.687 -0.566 1.00 0.00 C ATOM 431 C CYS A 81 -4.105 -5.185 -1.637 1.00 0.00 C ATOM 432 O CYS A 81 -4.512 -4.480 -2.557 1.00 0.00 O ATOM 433 CB CYS A 81 -5.287 -4.573 0.467 1.00 0.00 C ATOM 434 SG CYS A 81 -6.704 -3.548 -0.046 1.00 0.00 S ATOM 0 H CYS A 81 -3.856 -6.617 0.860 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.011 -5.967 -0.997 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.477 -5.008 1.448 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.394 -3.955 0.560 1.00 0.00 H new ATOM 0 HG CYS A 81 -7.169 -2.904 0.983 1.00 0.00 H new ATOM 440 N LEU A 82 -2.809 -5.539 -1.521 1.00 0.00 N ATOM 441 CA LEU A 82 -1.809 -5.061 -2.441 1.00 0.00 C ATOM 442 C LEU A 82 -1.517 -6.165 -3.370 1.00 0.00 C ATOM 443 O LEU A 82 -0.955 -5.971 -4.440 1.00 0.00 O ATOM 444 CB LEU A 82 -0.503 -4.791 -1.704 1.00 0.00 C ATOM 445 CG LEU A 82 -0.579 -3.588 -0.773 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.666 -2.698 -0.820 1.00 0.00 C ATOM 447 CD2 LEU A 82 -1.783 -2.698 -1.050 1.00 0.00 C ATOM 0 H LEU A 82 -2.450 -6.156 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.170 -4.157 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.230 -5.674 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.291 -4.629 -2.433 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.666 -4.039 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.542 -1.862 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.540 -3.280 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.804 -2.318 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.782 -1.858 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.731 -2.323 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.699 -3.275 -0.921 1.00 0.00 H new ATOM 459 N MET A 83 -1.972 -7.353 -2.972 1.00 0.00 N ATOM 460 CA MET A 83 -1.903 -8.520 -3.791 1.00 0.00 C ATOM 461 C MET A 83 -2.970 -8.378 -4.839 1.00 0.00 C ATOM 462 O MET A 83 -3.489 -9.333 -5.403 1.00 0.00 O ATOM 463 CB MET A 83 -2.283 -9.672 -2.874 1.00 0.00 C ATOM 464 CG MET A 83 -2.480 -10.994 -3.596 1.00 0.00 C ATOM 465 SD MET A 83 -1.978 -12.368 -2.510 1.00 0.00 S ATOM 466 CE MET A 83 -0.175 -12.103 -2.498 1.00 0.00 C ATOM 0 H MET A 83 -2.399 -7.513 -2.060 1.00 0.00 H new ATOM 0 HA MET A 83 -0.928 -8.669 -4.254 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.506 -9.794 -2.119 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.202 -9.416 -2.347 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.525 -11.109 -3.885 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.892 -11.009 -4.514 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.332 -13.059 -2.368 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.133 -11.654 -3.442 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.089 -11.438 -1.676 1.00 0.00 H new ATOM 476 N LYS A 84 -3.581 -7.194 -4.866 1.00 0.00 N ATOM 477 CA LYS A 84 -4.359 -6.766 -5.986 1.00 0.00 C ATOM 478 C LYS A 84 -3.417 -6.106 -6.923 1.00 0.00 C ATOM 479 O LYS A 84 -3.321 -6.471 -8.094 1.00 0.00 O ATOM 480 CB LYS A 84 -5.268 -5.606 -5.572 1.00 0.00 C ATOM 481 CG LYS A 84 -6.639 -6.056 -5.105 1.00 0.00 C ATOM 482 CD LYS A 84 -6.591 -6.989 -3.894 1.00 0.00 C ATOM 483 CE LYS A 84 -7.940 -7.142 -3.189 1.00 0.00 C ATOM 484 NZ LYS A 84 -7.881 -8.244 -2.233 1.00 0.00 N ATOM 0 H LYS A 84 -3.539 -6.518 -4.103 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.911 -7.617 -6.384 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.786 -5.043 -4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.384 -4.926 -6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.236 -5.179 -4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.146 -6.563 -5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.244 -7.971 -4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.858 -6.610 -3.182 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.198 -6.216 -2.674 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.724 -7.328 -3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.408 -7.987 -1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.304 -9.094 -2.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.889 -8.437 -1.986 1.00 0.00 H new ATOM 498 N ALA A 85 -2.676 -5.140 -6.359 1.00 0.00 N ATOM 499 CA ALA A 85 -2.051 -4.105 -7.139 1.00 0.00 C ATOM 500 C ALA A 85 -0.770 -4.625 -7.724 1.00 0.00 C ATOM 501 O ALA A 85 -0.068 -3.897 -8.420 1.00 0.00 O ATOM 502 CB ALA A 85 -1.653 -3.101 -6.041 1.00 0.00 C ATOM 0 H ALA A 85 -2.505 -5.070 -5.356 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.680 -3.721 -7.942 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.157 -2.243 -6.495 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.546 -2.766 -5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.974 -3.582 -5.337 1.00 0.00 H new ATOM 508 N LEU A 86 -0.410 -5.877 -7.409 1.00 0.00 N ATOM 509 CA LEU A 86 0.873 -6.395 -7.791 1.00 0.00 C ATOM 510 C LEU A 86 0.626 -7.695 -8.423 1.00 0.00 C ATOM 511 O LEU A 86 1.387 -8.137 -9.259 1.00 0.00 O ATOM 512 CB LEU A 86 1.650 -6.695 -6.526 1.00 0.00 C ATOM 513 CG LEU A 86 1.788 -5.472 -5.628 1.00 0.00 C ATOM 514 CD1 LEU A 86 1.902 -5.811 -4.172 1.00 0.00 C ATOM 515 CD2 LEU A 86 2.804 -4.457 -6.143 1.00 0.00 C ATOM 0 H LEU A 86 -0.998 -6.532 -6.893 1.00 0.00 H new ATOM 0 HA LEU A 86 1.403 -5.696 -8.438 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.150 -7.492 -5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.642 -7.063 -6.790 1.00 0.00 H new ATOM 0 HG LEU A 86 0.838 -4.942 -5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.997 -4.894 -3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.011 -6.351 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.781 -6.435 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.853 -3.611 -5.457 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.785 -4.927 -6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.501 -4.107 -7.130 1.00 0.00 H new ATOM 527 N LYS A 87 -0.435 -8.362 -7.955 1.00 0.00 N ATOM 528 CA LYS A 87 -0.917 -9.549 -8.594 1.00 0.00 C ATOM 529 C LYS A 87 -1.301 -9.200 -9.997 1.00 0.00 C ATOM 530 O LYS A 87 -1.077 -9.975 -10.924 1.00 0.00 O ATOM 531 CB LYS A 87 -2.205 -9.922 -7.901 1.00 0.00 C ATOM 532 CG LYS A 87 -2.507 -11.409 -7.928 1.00 0.00 C ATOM 533 CD LYS A 87 -3.474 -11.814 -9.046 1.00 0.00 C ATOM 534 CE LYS A 87 -3.896 -13.286 -8.987 1.00 0.00 C ATOM 535 NZ LYS A 87 -4.769 -13.511 -7.838 1.00 0.00 N ATOM 0 H LYS A 87 -0.966 -8.082 -7.130 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.167 -10.339 -8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.158 -9.589 -6.864 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.029 -9.385 -8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.574 -11.959 -8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.930 -11.704 -6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.364 -11.187 -8.991 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.005 -11.617 -10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.413 -13.561 -9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.014 -13.923 -8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.198 -14.456 -7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.213 -13.447 -6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.519 -12.790 -7.825 1.00 0.00 H new ATOM 549 N VAL A 88 -1.893 -8.002 -10.157 1.00 0.00 N ATOM 550 CA VAL A 88 -2.339 -7.544 -11.446 1.00 0.00 C ATOM 551 C VAL A 88 -1.118 -7.293 -12.305 1.00 0.00 C ATOM 552 O VAL A 88 -1.202 -7.238 -13.532 1.00 0.00 O ATOM 553 CB VAL A 88 -3.166 -6.256 -11.314 1.00 0.00 C ATOM 554 CG1 VAL A 88 -2.370 -5.061 -10.791 1.00 0.00 C ATOM 555 CG2 VAL A 88 -3.745 -5.727 -12.616 1.00 0.00 C ATOM 0 H VAL A 88 -2.065 -7.346 -9.395 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.977 -8.301 -11.903 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.943 -6.590 -10.626 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.022 -4.190 -10.726 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.973 -5.293 -9.802 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.546 -4.847 -11.471 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.311 -4.817 -12.419 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.935 -5.507 -13.312 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.404 -6.477 -13.052 1.00 0.00 H new ATOM 565 N ARG A 89 0.059 -7.176 -11.660 1.00 0.00 N ATOM 566 CA ARG A 89 1.283 -6.933 -12.367 1.00 0.00 C ATOM 567 C ARG A 89 1.942 -8.254 -12.595 1.00 0.00 C ATOM 568 O ARG A 89 2.442 -8.537 -13.683 1.00 0.00 O ATOM 569 CB ARG A 89 2.216 -6.109 -11.484 1.00 0.00 C ATOM 570 CG ARG A 89 1.565 -4.832 -10.980 1.00 0.00 C ATOM 571 CD ARG A 89 2.565 -3.852 -10.377 1.00 0.00 C ATOM 572 NE ARG A 89 1.805 -2.652 -9.919 1.00 0.00 N ATOM 573 CZ ARG A 89 1.473 -1.662 -10.792 1.00 0.00 C ATOM 574 NH1 ARG A 89 1.872 -1.714 -12.076 1.00 0.00 N ATOM 575 NH2 ARG A 89 0.781 -0.587 -10.356 1.00 0.00 N ATOM 0 H ARG A 89 0.164 -7.250 -10.648 1.00 0.00 H new ATOM 0 HA ARG A 89 1.080 -6.410 -13.302 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.532 -6.712 -10.633 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.115 -5.857 -12.047 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.042 -4.348 -11.804 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.815 -5.084 -10.231 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.094 -4.311 -9.542 1.00 0.00 H new ATOM 0 HD3 ARG A 89 3.316 -3.570 -11.115 1.00 0.00 H new ATOM 0 HE ARG A 89 1.531 -2.573 -8.940 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.430 -2.502 -12.405 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.616 -0.966 -12.720 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.509 -0.519 -9.375 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.531 0.157 -11.007 1.00 0.00 H new ATOM 589 N GLY A 90 1.993 -9.055 -11.521 1.00 0.00 N ATOM 590 CA GLY A 90 2.706 -10.302 -11.534 1.00 0.00 C ATOM 591 C GLY A 90 3.899 -10.140 -10.638 1.00 0.00 C ATOM 592 O GLY A 90 4.928 -10.784 -10.837 1.00 0.00 O ATOM 0 H GLY A 90 1.538 -8.842 -10.633 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.068 -11.113 -11.183 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.017 -10.557 -12.547 1.00 0.00 H new ATOM 596 N LEU A 91 3.772 -9.278 -9.608 1.00 0.00 N ATOM 597 CA LEU A 91 4.884 -8.977 -8.755 1.00 0.00 C ATOM 598 C LEU A 91 4.622 -9.613 -7.423 1.00 0.00 C ATOM 599 O LEU A 91 3.550 -10.166 -7.179 1.00 0.00 O ATOM 600 CB LEU A 91 5.036 -7.466 -8.518 1.00 0.00 C ATOM 601 CG LEU A 91 5.515 -6.689 -9.749 1.00 0.00 C ATOM 602 CD1 LEU A 91 6.244 -5.389 -9.389 1.00 0.00 C ATOM 603 CD2 LEU A 91 6.381 -7.526 -10.696 1.00 0.00 C ATOM 0 H LEU A 91 2.907 -8.794 -9.368 1.00 0.00 H new ATOM 0 HA LEU A 91 5.791 -9.349 -9.232 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.077 -7.061 -8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.741 -7.305 -7.702 1.00 0.00 H new ATOM 0 HG LEU A 91 4.598 -6.430 -10.278 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.559 -4.884 -10.302 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.573 -4.739 -8.827 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.119 -5.619 -8.781 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.686 -6.915 -11.546 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.266 -7.877 -10.165 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.808 -8.382 -11.052 1.00 0.00 H new ATOM 615 N GLN A 92 5.603 -9.493 -6.506 1.00 0.00 N ATOM 616 CA GLN A 92 5.476 -10.091 -5.207 1.00 0.00 C ATOM 617 C GLN A 92 5.522 -8.976 -4.195 1.00 0.00 C ATOM 618 O GLN A 92 6.381 -8.095 -4.252 1.00 0.00 O ATOM 619 CB GLN A 92 6.609 -11.076 -4.891 1.00 0.00 C ATOM 620 CG GLN A 92 6.809 -12.142 -5.979 1.00 0.00 C ATOM 621 CD GLN A 92 7.505 -13.349 -5.353 1.00 0.00 C ATOM 622 OE1 GLN A 92 6.858 -14.323 -4.967 1.00 0.00 O ATOM 623 NE2 GLN A 92 8.867 -13.315 -5.229 1.00 0.00 N ATOM 0 H GLN A 92 6.476 -8.988 -6.660 1.00 0.00 H new ATOM 0 HA GLN A 92 4.542 -10.652 -5.178 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.538 -10.521 -4.761 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.398 -11.570 -3.943 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.849 -12.436 -6.402 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.408 -11.741 -6.796 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.388 -12.501 -5.554 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.361 -14.104 -4.812 1.00 0.00 H new ATOM 632 N PRO A 93 4.643 -9.120 -3.210 1.00 0.00 N ATOM 633 CA PRO A 93 4.688 -8.005 -2.285 1.00 0.00 C ATOM 634 C PRO A 93 5.501 -8.505 -1.120 1.00 0.00 C ATOM 635 O PRO A 93 5.956 -7.723 -0.288 1.00 0.00 O ATOM 636 CB PRO A 93 3.264 -7.815 -1.794 1.00 0.00 C ATOM 637 CG PRO A 93 2.456 -9.001 -2.313 1.00 0.00 C ATOM 638 CD PRO A 93 3.304 -9.643 -3.402 1.00 0.00 C ATOM 0 HA PRO A 93 5.091 -7.088 -2.716 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.233 -7.773 -0.705 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.851 -6.876 -2.161 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.247 -9.711 -1.512 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.494 -8.674 -2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.292 -10.730 -3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.924 -9.394 -4.393 1.00 0.00 H new ATOM 646 N GLU A 94 5.747 -9.830 -1.042 1.00 0.00 N ATOM 647 CA GLU A 94 6.305 -10.411 0.149 1.00 0.00 C ATOM 648 C GLU A 94 7.769 -10.070 0.203 1.00 0.00 C ATOM 649 O GLU A 94 8.433 -10.305 1.211 1.00 0.00 O ATOM 650 CB GLU A 94 6.191 -11.943 0.174 1.00 0.00 C ATOM 651 CG GLU A 94 4.756 -12.455 0.372 1.00 0.00 C ATOM 652 CD GLU A 94 3.983 -12.274 -0.932 1.00 0.00 C ATOM 653 OE1 GLU A 94 4.632 -12.106 -2.000 1.00 0.00 O ATOM 654 OE2 GLU A 94 2.726 -12.256 -0.872 1.00 0.00 O ATOM 0 H GLU A 94 5.562 -10.494 -1.794 1.00 0.00 H new ATOM 0 HA GLU A 94 5.747 -10.011 0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.584 -12.342 -0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.819 -12.332 0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.767 -13.506 0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.268 -11.908 1.179 1.00 0.00 H new ATOM 661 N CYS A 95 8.305 -9.483 -0.884 1.00 0.00 N ATOM 662 CA CYS A 95 9.710 -9.208 -0.949 1.00 0.00 C ATOM 663 C CYS A 95 9.899 -7.728 -0.757 1.00 0.00 C ATOM 664 O CYS A 95 10.982 -7.191 -0.991 1.00 0.00 O ATOM 665 CB CYS A 95 10.298 -9.592 -2.315 1.00 0.00 C ATOM 666 SG CYS A 95 12.092 -9.877 -2.159 1.00 0.00 S ATOM 0 H CYS A 95 7.774 -9.202 -1.708 1.00 0.00 H new ATOM 0 HA CYS A 95 10.217 -9.790 -0.179 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.809 -10.491 -2.692 1.00 0.00 H new ATOM 0 HB3 CYS A 95 10.108 -8.799 -3.038 1.00 0.00 H new ATOM 0 HG CYS A 95 12.582 -10.203 -3.318 1.00 0.00 H new ATOM 672 N CYS A 96 8.851 -7.027 -0.280 1.00 0.00 N ATOM 673 CA CYS A 96 8.893 -5.594 -0.274 1.00 0.00 C ATOM 674 C CYS A 96 8.331 -5.117 1.037 1.00 0.00 C ATOM 675 O CYS A 96 7.829 -5.903 1.839 1.00 0.00 O ATOM 676 CB CYS A 96 8.006 -5.019 -1.386 1.00 0.00 C ATOM 677 SG CYS A 96 8.815 -5.249 -3.003 1.00 0.00 S ATOM 0 H CYS A 96 7.995 -7.439 0.093 1.00 0.00 H new ATOM 0 HA CYS A 96 9.923 -5.271 -0.424 1.00 0.00 H new ATOM 0 HB2 CYS A 96 7.035 -5.514 -1.381 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.825 -3.959 -1.207 1.00 0.00 H new ATOM 0 HG CYS A 96 8.058 -4.762 -3.940 1.00 0.00 H new ATOM 683 N ALA A 97 8.415 -3.786 1.256 1.00 0.00 N ATOM 684 CA ALA A 97 7.796 -3.166 2.394 1.00 0.00 C ATOM 685 C ALA A 97 6.905 -2.096 1.857 1.00 0.00 C ATOM 686 O ALA A 97 7.277 -1.359 0.955 1.00 0.00 O ATOM 687 CB ALA A 97 8.785 -2.488 3.364 1.00 0.00 C ATOM 0 H ALA A 97 8.912 -3.139 0.644 1.00 0.00 H new ATOM 0 HA ALA A 97 7.284 -3.946 2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.235 -2.045 4.194 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.485 -3.230 3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.335 -1.709 2.837 1.00 0.00 H new ATOM 693 N VAL A 98 5.702 -1.961 2.438 1.00 0.00 N ATOM 694 CA VAL A 98 4.766 -0.985 1.967 1.00 0.00 C ATOM 695 C VAL A 98 4.719 0.116 2.983 1.00 0.00 C ATOM 696 O VAL A 98 4.998 -0.087 4.167 1.00 0.00 O ATOM 697 CB VAL A 98 3.366 -1.577 1.784 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.955 -2.500 2.928 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.268 -0.535 1.544 1.00 0.00 C ATOM 0 H VAL A 98 5.377 -2.520 3.227 1.00 0.00 H new ATOM 0 HA VAL A 98 5.087 -0.618 0.992 1.00 0.00 H new ATOM 0 HB VAL A 98 3.457 -2.168 0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.954 -2.888 2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.659 -3.330 2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.959 -1.942 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.309 -1.038 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.218 0.144 2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.495 0.032 0.641 1.00 0.00 H new ATOM 709 N PHE A 99 4.324 1.317 2.525 1.00 0.00 N ATOM 710 CA PHE A 99 4.407 2.488 3.342 1.00 0.00 C ATOM 711 C PHE A 99 3.260 3.367 2.974 1.00 0.00 C ATOM 712 O PHE A 99 2.612 3.179 1.944 1.00 0.00 O ATOM 713 CB PHE A 99 5.646 3.340 3.024 1.00 0.00 C ATOM 714 CG PHE A 99 6.841 2.658 3.592 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.456 1.626 2.883 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.482 3.129 4.732 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.745 1.244 3.173 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.766 2.742 5.024 1.00 0.00 C ATOM 719 CZ PHE A 99 9.422 1.870 4.190 1.00 0.00 C ATOM 0 H PHE A 99 3.948 1.478 1.591 1.00 0.00 H new ATOM 0 HA PHE A 99 4.428 2.159 4.381 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.756 3.463 1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.540 4.338 3.450 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.914 1.121 2.097 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.964 3.807 5.395 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.221 0.458 2.605 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.259 3.122 5.907 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.475 1.676 4.335 1.00 0.00 H new ATOM 729 N ARG A 100 3.067 4.419 3.786 1.00 0.00 N ATOM 730 CA ARG A 100 2.251 5.518 3.391 1.00 0.00 C ATOM 731 C ARG A 100 3.179 6.684 3.236 1.00 0.00 C ATOM 732 O ARG A 100 4.231 6.743 3.873 1.00 0.00 O ATOM 733 CB ARG A 100 1.126 5.734 4.395 1.00 0.00 C ATOM 734 CG ARG A 100 0.872 7.186 4.782 1.00 0.00 C ATOM 735 CD ARG A 100 0.108 7.296 6.098 1.00 0.00 C ATOM 736 NE ARG A 100 -0.840 8.445 6.003 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.461 9.705 6.350 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.774 9.948 6.825 1.00 0.00 N ATOM 739 NH2 ARG A 100 -1.353 10.715 6.256 1.00 0.00 N ATOM 0 H ARG A 100 3.477 4.507 4.716 1.00 0.00 H new ATOM 0 HA ARG A 100 1.736 5.349 2.445 1.00 0.00 H new ATOM 0 HB2 ARG A 100 0.207 5.319 3.982 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.353 5.168 5.299 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.823 7.711 4.869 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.307 7.679 3.991 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.435 6.373 6.298 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.801 7.444 6.926 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.791 8.282 5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.440 9.183 6.929 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.044 10.898 7.081 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.301 10.530 5.927 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.079 11.663 6.514 1.00 0.00 H new ATOM 753 N LEU A 101 2.836 7.605 2.322 1.00 0.00 N ATOM 754 CA LEU A 101 3.797 8.553 1.836 1.00 0.00 C ATOM 755 C LEU A 101 3.924 9.660 2.839 1.00 0.00 C ATOM 756 O LEU A 101 3.283 9.669 3.892 1.00 0.00 O ATOM 757 CB LEU A 101 3.344 9.187 0.510 1.00 0.00 C ATOM 758 CG LEU A 101 3.421 8.229 -0.681 1.00 0.00 C ATOM 759 CD1 LEU A 101 3.099 8.899 -2.021 1.00 0.00 C ATOM 760 CD2 LEU A 101 4.760 7.500 -0.774 1.00 0.00 C ATOM 0 H LEU A 101 1.903 7.697 1.920 1.00 0.00 H new ATOM 0 HA LEU A 101 4.739 8.028 1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.318 9.540 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.962 10.061 0.304 1.00 0.00 H new ATOM 0 HG LEU A 101 2.644 7.490 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.172 8.164 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.088 9.304 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.808 9.706 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.753 6.836 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.564 8.228 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.920 6.915 0.132 1.00 0.00 H new ATOM 772 N LEU A 102 4.758 10.659 2.491 1.00 0.00 N ATOM 773 CA LEU A 102 5.055 11.730 3.387 1.00 0.00 C ATOM 774 C LEU A 102 3.997 12.781 3.226 1.00 0.00 C ATOM 775 O LEU A 102 4.173 13.772 2.520 1.00 0.00 O ATOM 776 CB LEU A 102 6.447 12.326 3.188 1.00 0.00 C ATOM 777 CG LEU A 102 7.040 12.081 1.800 1.00 0.00 C ATOM 778 CD1 LEU A 102 7.567 10.645 1.578 1.00 0.00 C ATOM 779 CD2 LEU A 102 6.189 12.658 0.664 1.00 0.00 C ATOM 0 H LEU A 102 5.226 10.723 1.587 1.00 0.00 H new ATOM 0 HA LEU A 102 5.057 11.331 4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.399 13.400 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.120 11.908 3.937 1.00 0.00 H new ATOM 0 HG LEU A 102 7.953 12.676 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.970 10.557 0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.352 10.430 2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.751 9.934 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.668 12.448 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.200 12.201 0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.093 13.736 0.793 1.00 0.00 H new ATOM 791 N HIS A 103 2.867 12.614 3.938 1.00 0.00 N ATOM 792 CA HIS A 103 1.807 13.575 3.852 1.00 0.00 C ATOM 793 C HIS A 103 1.960 14.521 5.009 1.00 0.00 C ATOM 794 O HIS A 103 1.340 15.581 5.046 1.00 0.00 O ATOM 795 CB HIS A 103 0.408 12.939 3.890 1.00 0.00 C ATOM 796 CG HIS A 103 0.020 12.299 2.588 1.00 0.00 C ATOM 797 ND1 HIS A 103 -1.157 11.613 2.432 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.556 12.431 1.352 1.00 0.00 C ATOM 799 CE1 HIS A 103 -1.325 11.345 1.148 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.299 11.826 0.471 1.00 0.00 N ATOM 0 H HIS A 103 2.687 11.828 4.563 1.00 0.00 H new ATOM 0 HA HIS A 103 1.884 14.085 2.892 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.377 12.189 4.681 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.326 13.703 4.146 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -1.797 11.353 3.182 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.486 12.923 1.107 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.166 10.818 0.722 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.166 11.758 -0.538 1.00 0.00 H new ATOM 809 N GLU A 104 2.808 14.153 5.993 1.00 0.00 N ATOM 810 CA GLU A 104 3.050 15.023 7.108 1.00 0.00 C ATOM 811 C GLU A 104 4.490 14.864 7.492 1.00 0.00 C ATOM 812 O GLU A 104 4.858 14.998 8.659 1.00 0.00 O ATOM 813 CB GLU A 104 2.202 14.706 8.355 1.00 0.00 C ATOM 814 CG GLU A 104 0.691 14.655 8.085 1.00 0.00 C ATOM 815 CD GLU A 104 0.337 13.271 7.551 1.00 0.00 C ATOM 816 OE1 GLU A 104 1.184 12.334 7.625 1.00 0.00 O ATOM 817 OE2 GLU A 104 -0.799 13.107 7.027 1.00 0.00 O ATOM 0 H GLU A 104 3.317 13.270 6.018 1.00 0.00 H new ATOM 0 HA GLU A 104 2.784 16.032 6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.520 13.747 8.764 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.399 15.460 9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.136 14.860 9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.410 15.422 7.363 1.00 0.00 H new ATOM 824 N HIS A 105 5.353 14.541 6.507 1.00 0.00 N ATOM 825 CA HIS A 105 6.747 14.367 6.796 1.00 0.00 C ATOM 826 C HIS A 105 7.507 15.044 5.698 1.00 0.00 C ATOM 827 O HIS A 105 6.932 15.444 4.688 1.00 0.00 O ATOM 828 CB HIS A 105 7.194 12.896 6.892 1.00 0.00 C ATOM 829 CG HIS A 105 6.116 11.977 7.387 1.00 0.00 C ATOM 830 ND1 HIS A 105 5.582 10.869 6.829 1.00 0.00 N flip ATOM 831 CD2 HIS A 105 5.506 12.145 8.601 1.00 0.00 C flip ATOM 832 CE1 HIS A 105 4.636 10.394 7.694 1.00 0.00 C flip ATOM 833 NE2 HIS A 105 4.608 11.184 8.756 1.00 0.00 N flip ATOM 0 H HIS A 105 5.093 14.403 5.530 1.00 0.00 H new ATOM 0 HA HIS A 105 6.943 14.796 7.778 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.525 12.560 5.909 1.00 0.00 H new ATOM 0 HB3 HIS A 105 8.054 12.828 7.559 1.00 0.00 H new ATOM 0 HD2 HIS A 105 5.721 12.929 9.312 1.00 0.00 H new ATOM 0 HE1 HIS A 105 4.017 9.523 7.538 1.00 0.00 H new ATOM 0 HE2 HIS A 105 3.994 11.071 9.563 1.00 0.00 H new ATOM 842 N LYS A 106 8.839 15.171 5.868 1.00 0.00 N ATOM 843 CA LYS A 106 9.618 15.937 4.939 1.00 0.00 C ATOM 844 C LYS A 106 10.167 14.996 3.917 1.00 0.00 C ATOM 845 O LYS A 106 10.188 15.293 2.724 1.00 0.00 O ATOM 846 CB LYS A 106 10.781 16.649 5.641 1.00 0.00 C ATOM 847 CG LYS A 106 11.564 17.598 4.730 1.00 0.00 C ATOM 848 CD LYS A 106 10.779 18.852 4.331 1.00 0.00 C ATOM 849 CE LYS A 106 11.542 19.771 3.374 1.00 0.00 C ATOM 850 NZ LYS A 106 10.722 20.928 3.032 1.00 0.00 N ATOM 0 H LYS A 106 9.368 14.752 6.633 1.00 0.00 H new ATOM 0 HA LYS A 106 8.985 16.697 4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 106 10.391 17.213 6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.464 15.900 6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.481 17.899 5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.859 17.062 3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.842 18.551 3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.521 19.411 5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.473 20.099 3.837 1.00 0.00 H new ATOM 0 HE3 LYS A 106 11.810 19.225 2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.248 21.546 2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.845 20.609 2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.487 21.455 3.897 1.00 0.00 H new ATOM 864 N GLY A 107 10.642 13.832 4.378 1.00 0.00 N ATOM 865 CA GLY A 107 11.251 12.882 3.490 1.00 0.00 C ATOM 866 C GLY A 107 11.338 11.583 4.216 1.00 0.00 C ATOM 867 O GLY A 107 12.421 11.028 4.382 1.00 0.00 O ATOM 0 H GLY A 107 10.609 13.543 5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.660 12.774 2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 107 12.242 13.220 3.188 1.00 0.00 H new ATOM 871 N LYS A 108 10.175 11.060 4.644 1.00 0.00 N ATOM 872 CA LYS A 108 10.139 9.801 5.312 1.00 0.00 C ATOM 873 C LYS A 108 8.794 9.232 5.052 1.00 0.00 C ATOM 874 O LYS A 108 7.787 9.933 5.121 1.00 0.00 O ATOM 875 CB LYS A 108 10.323 9.908 6.823 1.00 0.00 C ATOM 876 CG LYS A 108 11.770 10.185 7.225 1.00 0.00 C ATOM 877 CD LYS A 108 12.208 9.436 8.484 1.00 0.00 C ATOM 878 CE LYS A 108 11.534 9.943 9.762 1.00 0.00 C ATOM 879 NZ LYS A 108 12.025 9.195 10.916 1.00 0.00 N ATOM 0 H LYS A 108 9.266 11.508 4.527 1.00 0.00 H new ATOM 0 HA LYS A 108 10.959 9.187 4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.685 10.705 7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.992 8.981 7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.427 9.908 6.400 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.895 11.256 7.387 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.986 8.376 8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.289 9.525 8.593 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.738 11.006 9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.453 9.834 9.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 11.563 9.545 11.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.809 8.185 10.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.054 9.321 10.999 1.00 0.00 H new ATOM 893 N LYS A 109 8.762 7.944 4.688 1.00 0.00 N ATOM 894 CA LYS A 109 7.524 7.289 4.434 1.00 0.00 C ATOM 895 C LYS A 109 7.170 6.567 5.690 1.00 0.00 C ATOM 896 O LYS A 109 8.039 6.056 6.395 1.00 0.00 O ATOM 897 CB LYS A 109 7.683 6.288 3.284 1.00 0.00 C ATOM 898 CG LYS A 109 7.500 6.877 1.889 1.00 0.00 C ATOM 899 CD LYS A 109 7.081 5.827 0.863 1.00 0.00 C ATOM 900 CE LYS A 109 8.077 4.670 0.736 1.00 0.00 C ATOM 901 NZ LYS A 109 9.254 5.104 -0.011 1.00 0.00 N ATOM 0 H LYS A 109 9.588 7.358 4.570 1.00 0.00 H new ATOM 0 HA LYS A 109 6.750 8.001 4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.675 5.840 3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.961 5.483 3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.748 7.665 1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.433 7.342 1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.105 5.428 1.140 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.965 6.306 -0.109 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.372 4.323 1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.606 3.827 0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.853 4.281 -0.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 8.955 5.554 -0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.794 5.786 0.558 1.00 0.00 H new ATOM 915 N ALA A 110 5.869 6.563 6.020 1.00 0.00 N ATOM 916 CA ALA A 110 5.422 5.943 7.236 1.00 0.00 C ATOM 917 C ALA A 110 5.198 4.505 6.928 1.00 0.00 C ATOM 918 O ALA A 110 4.444 4.162 6.022 1.00 0.00 O ATOM 919 CB ALA A 110 4.138 6.502 7.849 1.00 0.00 C ATOM 0 H ALA A 110 5.130 6.982 5.456 1.00 0.00 H new ATOM 0 HA ALA A 110 6.196 6.136 7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.902 5.955 8.762 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.277 7.557 8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.318 6.393 7.139 1.00 0.00 H new ATOM 925 N ARG A 111 5.888 3.616 7.664 1.00 0.00 N ATOM 926 CA ARG A 111 5.964 2.264 7.248 1.00 0.00 C ATOM 927 C ARG A 111 4.851 1.544 7.918 1.00 0.00 C ATOM 928 O ARG A 111 4.506 1.826 9.064 1.00 0.00 O ATOM 929 CB ARG A 111 7.300 1.719 7.713 1.00 0.00 C ATOM 930 CG ARG A 111 7.738 0.465 6.974 1.00 0.00 C ATOM 931 CD ARG A 111 7.126 -0.793 7.569 1.00 0.00 C ATOM 932 NE ARG A 111 8.081 -1.910 7.317 1.00 0.00 N ATOM 933 CZ ARG A 111 7.712 -3.204 7.510 1.00 0.00 C ATOM 934 NH1 ARG A 111 6.453 -3.520 7.875 1.00 0.00 N ATOM 935 NH2 ARG A 111 8.604 -4.190 7.268 1.00 0.00 N ATOM 0 H ARG A 111 6.382 3.834 8.529 1.00 0.00 H new ATOM 0 HA ARG A 111 5.884 2.151 6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.061 2.489 7.586 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.242 1.500 8.779 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.453 0.545 5.925 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.825 0.388 7.004 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.953 -0.668 8.638 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.159 -1.003 7.112 1.00 0.00 H new ATOM 0 HE ARG A 111 9.026 -1.700 6.995 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.761 -2.783 8.010 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.193 -4.496 8.016 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.543 -3.960 6.944 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.338 -5.164 7.409 1.00 0.00 H new ATOM 949 N LEU A 112 4.261 0.595 7.182 1.00 0.00 N ATOM 950 CA LEU A 112 3.009 0.032 7.583 1.00 0.00 C ATOM 951 C LEU A 112 3.230 -1.417 7.849 1.00 0.00 C ATOM 952 O LEU A 112 4.346 -1.864 8.106 1.00 0.00 O ATOM 953 CB LEU A 112 1.955 0.175 6.481 1.00 0.00 C ATOM 954 CG LEU A 112 1.599 1.628 6.171 1.00 0.00 C ATOM 955 CD1 LEU A 112 0.739 1.783 4.915 1.00 0.00 C ATOM 956 CD2 LEU A 112 0.966 2.366 7.358 1.00 0.00 C ATOM 0 H LEU A 112 4.643 0.217 6.315 1.00 0.00 H new ATOM 0 HA LEU A 112 2.647 0.555 8.468 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.321 -0.304 5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.052 -0.357 6.780 1.00 0.00 H new ATOM 0 HG LEU A 112 2.558 2.105 5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.521 2.838 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.277 1.385 4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.195 1.236 5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.738 3.392 7.069 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.047 1.860 7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.663 2.371 8.196 1.00 0.00 H new ATOM 968 N ASP A 113 2.130 -2.189 7.835 1.00 0.00 N ATOM 969 CA ASP A 113 2.208 -3.591 8.114 1.00 0.00 C ATOM 970 C ASP A 113 1.674 -4.314 6.923 1.00 0.00 C ATOM 971 O ASP A 113 0.805 -3.843 6.220 1.00 0.00 O ATOM 972 CB ASP A 113 1.428 -4.015 9.369 1.00 0.00 C ATOM 973 CG ASP A 113 1.829 -5.440 9.725 1.00 0.00 C ATOM 974 OD1 ASP A 113 2.991 -5.634 10.165 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.004 -6.355 9.461 1.00 0.00 O ATOM 0 H ASP A 113 1.191 -1.847 7.632 1.00 0.00 H new ATOM 0 HA ASP A 113 3.250 -3.839 8.314 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.647 -3.341 10.197 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.355 -3.957 9.186 1.00 0.00 H new ATOM 980 N TRP A 114 2.156 -5.548 6.693 1.00 0.00 N ATOM 981 CA TRP A 114 1.732 -6.299 5.561 1.00 0.00 C ATOM 982 C TRP A 114 0.370 -6.879 5.847 1.00 0.00 C ATOM 983 O TRP A 114 -0.227 -7.537 5.004 1.00 0.00 O ATOM 984 CB TRP A 114 2.756 -7.409 5.244 1.00 0.00 C ATOM 985 CG TRP A 114 3.638 -7.098 4.056 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.971 -7.289 3.845 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.130 -6.470 2.881 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.321 -6.803 2.596 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.187 -6.298 1.984 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.858 -6.103 2.617 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.894 -5.738 0.748 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.595 -5.505 1.411 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.570 -5.426 0.444 1.00 0.00 C ATOM 0 H TRP A 114 2.835 -6.021 7.289 1.00 0.00 H new ATOM 0 HA TRP A 114 1.667 -5.652 4.686 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.384 -7.573 6.119 1.00 0.00 H new ATOM 0 HB3 TRP A 114 2.223 -8.341 5.056 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.652 -7.750 4.546 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.258 -6.815 2.194 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.070 -6.275 3.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.680 -5.547 0.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.615 -5.093 1.219 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.308 -5.120 -0.558 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.223 -6.519 6.998 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.590 -6.861 7.256 1.00 0.00 C ATOM 1006 C ASN A 115 -2.287 -5.591 7.617 1.00 0.00 C ATOM 1007 O ASN A 115 -3.293 -5.602 8.327 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.691 -7.758 8.496 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.797 -8.775 8.270 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.538 -9.940 7.968 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -4.059 -8.323 8.436 1.00 0.00 N ATOM 0 H ASN A 115 0.236 -5.997 7.744 1.00 0.00 H new ATOM 0 HA ASN A 115 -2.011 -7.365 6.386 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.742 -8.264 8.675 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.904 -7.158 9.381 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.848 -8.957 8.311 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.223 -7.348 8.687 1.00 0.00 H new ATOM 1018 N THR A 116 -1.755 -4.442 7.150 1.00 0.00 N ATOM 1019 CA THR A 116 -2.150 -3.193 7.724 1.00 0.00 C ATOM 1020 C THR A 116 -3.584 -2.913 7.348 1.00 0.00 C ATOM 1021 O THR A 116 -4.091 -3.360 6.317 1.00 0.00 O ATOM 1022 CB THR A 116 -1.174 -2.003 7.593 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.538 -1.752 8.837 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.831 -0.639 7.339 1.00 0.00 C ATOM 0 H THR A 116 -1.071 -4.379 6.396 1.00 0.00 H new ATOM 0 HA THR A 116 -2.088 -3.315 8.805 1.00 0.00 H new ATOM 0 HB THR A 116 -0.537 -2.310 6.764 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.045 -0.906 8.788 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.060 0.128 7.263 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.399 -0.676 6.409 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.501 -0.399 8.164 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.288 -2.191 8.233 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.622 -1.738 7.956 1.00 0.00 C ATOM 1034 C ASP A 117 -5.501 -0.593 6.998 1.00 0.00 C ATOM 1035 O ASP A 117 -5.456 0.556 7.417 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.307 -1.243 9.244 1.00 0.00 C ATOM 1037 CG ASP A 117 -7.767 -0.944 8.937 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -8.494 -1.893 8.542 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -8.158 0.248 9.063 1.00 0.00 O ATOM 0 H ASP A 117 -3.934 -1.916 9.149 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.219 -2.552 7.545 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.233 -1.999 10.026 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.809 -0.348 9.617 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.565 -0.917 5.688 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.414 0.062 4.640 1.00 0.00 C ATOM 1046 C ALA A 118 -6.605 0.972 4.677 1.00 0.00 C ATOM 1047 O ALA A 118 -6.571 2.086 4.161 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.512 -0.810 3.371 1.00 0.00 C ATOM 0 H ALA A 118 -5.723 -1.866 5.350 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.507 0.662 4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.411 -0.179 2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.716 -1.554 3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.479 -1.313 3.349 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.643 0.570 5.431 1.00 0.00 N ATOM 1055 CA ALA A 119 -8.836 1.355 5.550 1.00 0.00 C ATOM 1056 C ALA A 119 -8.579 2.451 6.544 1.00 0.00 C ATOM 1057 O ALA A 119 -9.409 3.337 6.732 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.699 0.273 6.224 1.00 0.00 C ATOM 0 H ALA A 119 -7.658 -0.301 5.961 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.230 1.818 4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.696 0.670 6.416 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.774 -0.594 5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.239 -0.024 7.167 1.00 0.00 H new ATOM 1064 N SER A 120 -7.379 2.456 7.161 1.00 0.00 N ATOM 1065 CA SER A 120 -7.028 3.513 8.066 1.00 0.00 C ATOM 1066 C SER A 120 -6.091 4.433 7.337 1.00 0.00 C ATOM 1067 O SER A 120 -5.835 5.552 7.776 1.00 0.00 O ATOM 1068 CB SER A 120 -6.328 3.013 9.338 1.00 0.00 C ATOM 1069 OG SER A 120 -7.256 2.328 10.170 1.00 0.00 O ATOM 0 H SER A 120 -6.662 1.741 7.037 1.00 0.00 H new ATOM 0 HA SER A 120 -7.946 4.007 8.382 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.506 2.348 9.073 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.895 3.855 9.879 1.00 0.00 H new ATOM 0 HG SER A 120 -7.845 1.774 9.616 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.557 3.965 6.189 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.687 4.775 5.380 1.00 0.00 C ATOM 1077 C LEU A 121 -5.492 5.210 4.218 1.00 0.00 C ATOM 1078 O LEU A 121 -4.960 5.624 3.190 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.495 3.981 4.831 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.679 3.292 5.924 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -2.611 4.114 7.210 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.256 1.936 6.314 1.00 0.00 C ATOM 0 H LEU A 121 -5.726 3.029 5.821 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.299 5.595 5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.858 3.230 4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.846 4.653 4.270 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.687 3.178 5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.020 3.579 7.953 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.146 5.078 7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.619 4.273 7.594 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.639 1.489 7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.272 2.066 6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.269 1.282 5.442 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.812 5.069 4.378 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.723 5.275 3.291 1.00 0.00 C ATOM 1096 C ILE A 122 -7.725 6.732 2.949 1.00 0.00 C ATOM 1097 O ILE A 122 -7.696 7.600 3.820 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.149 4.786 3.586 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.830 4.122 2.390 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.098 5.845 4.181 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.443 2.657 2.191 1.00 0.00 C ATOM 0 H ILE A 122 -7.256 4.812 5.259 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.379 4.677 2.447 1.00 0.00 H new ATOM 0 HB ILE A 122 -8.975 4.037 4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -10.911 4.188 2.517 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.581 4.679 1.487 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.078 5.400 4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.693 6.206 5.126 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.195 6.679 3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -9.967 2.257 1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.367 2.583 2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.718 2.084 3.077 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.729 7.008 1.634 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.822 8.360 1.152 1.00 0.00 C ATOM 1115 C GLY A 123 -6.459 8.979 1.244 1.00 0.00 C ATOM 1116 O GLY A 123 -6.326 10.160 1.555 1.00 0.00 O ATOM 0 H GLY A 123 -7.668 6.301 0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.178 8.374 0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.539 8.928 1.745 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.404 8.191 0.952 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.070 8.701 1.061 1.00 0.00 C ATOM 1122 C GLU A 124 -3.324 8.247 -0.157 1.00 0.00 C ATOM 1123 O GLU A 124 -3.920 7.838 -1.157 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.328 8.156 2.289 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.095 8.340 3.605 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.707 9.685 4.213 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -3.348 10.626 3.454 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -3.631 9.769 5.469 1.00 0.00 O ATOM 0 H GLU A 124 -5.472 7.220 0.647 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.123 9.786 1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.128 7.095 2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.362 8.654 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.169 8.303 3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.859 7.531 4.296 1.00 0.00 H new ATOM 1135 N GLU A 125 -1.980 8.297 -0.086 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.167 7.748 -1.130 1.00 0.00 C ATOM 1137 C GLU A 125 -0.234 6.782 -0.487 1.00 0.00 C ATOM 1138 O GLU A 125 0.423 7.100 0.507 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.343 8.782 -1.905 1.00 0.00 C ATOM 1140 CG GLU A 125 -1.158 9.524 -2.969 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.611 10.940 -3.097 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.517 11.640 -2.050 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -0.263 11.336 -4.238 1.00 0.00 O ATOM 0 H GLU A 125 -1.460 8.713 0.686 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.834 7.291 -1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 125 0.073 9.506 -1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.499 8.282 -2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -1.094 9.005 -3.925 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.211 9.549 -2.690 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.192 5.560 -1.041 1.00 0.00 N ATOM 1151 CA LEU A 126 0.645 4.529 -0.503 1.00 0.00 C ATOM 1152 C LEU A 126 1.820 4.386 -1.418 1.00 0.00 C ATOM 1153 O LEU A 126 1.813 4.846 -2.558 1.00 0.00 O ATOM 1154 CB LEU A 126 -0.038 3.148 -0.445 1.00 0.00 C ATOM 1155 CG LEU A 126 -1.056 2.981 0.693 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -0.883 1.664 1.463 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -1.052 4.126 1.712 1.00 0.00 C ATOM 0 H LEU A 126 -0.735 5.283 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 126 0.904 4.820 0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.542 2.967 -1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.731 2.382 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 126 -2.012 2.984 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.631 1.604 2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.009 0.824 0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.114 1.628 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.799 3.931 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.067 4.200 2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -1.288 5.063 1.207 1.00 0.00 H new ATOM 1169 N GLN A 127 2.866 3.686 -0.944 1.00 0.00 N ATOM 1170 CA GLN A 127 3.961 3.341 -1.802 1.00 0.00 C ATOM 1171 C GLN A 127 4.498 2.039 -1.316 1.00 0.00 C ATOM 1172 O GLN A 127 4.355 1.696 -0.145 1.00 0.00 O ATOM 1173 CB GLN A 127 5.117 4.356 -1.809 1.00 0.00 C ATOM 1174 CG GLN A 127 6.037 4.244 -3.037 1.00 0.00 C ATOM 1175 CD GLN A 127 7.465 4.559 -2.606 1.00 0.00 C ATOM 1176 OE1 GLN A 127 7.805 5.708 -2.322 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.344 3.523 -2.601 1.00 0.00 N ATOM 0 H GLN A 127 2.956 3.362 0.019 1.00 0.00 H new ATOM 0 HA GLN A 127 3.576 3.312 -2.821 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.703 5.364 -1.768 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.713 4.219 -0.907 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.982 3.241 -3.460 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.715 4.936 -3.815 1.00 0.00 H new ATOM 0 HE21 GLN A 127 8.027 2.584 -2.842 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.321 3.684 -2.356 1.00 0.00 H new ATOM 1186 N VAL A 128 5.132 1.279 -2.223 1.00 0.00 N ATOM 1187 CA VAL A 128 5.803 0.079 -1.830 1.00 0.00 C ATOM 1188 C VAL A 128 7.259 0.300 -2.088 1.00 0.00 C ATOM 1189 O VAL A 128 7.636 0.972 -3.045 1.00 0.00 O ATOM 1190 CB VAL A 128 5.313 -1.168 -2.582 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.236 -2.382 -2.436 1.00 0.00 C ATOM 1192 CG2 VAL A 128 3.945 -1.663 -2.104 1.00 0.00 C ATOM 0 H VAL A 128 5.181 1.491 -3.220 1.00 0.00 H new ATOM 0 HA VAL A 128 5.595 -0.118 -0.778 1.00 0.00 H new ATOM 0 HB VAL A 128 5.281 -0.818 -3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.823 -3.222 -2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.224 -2.137 -2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.319 -2.652 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.657 -2.546 -2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.000 -1.918 -1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.203 -0.878 -2.250 1.00 0.00 H new ATOM 1202 N ASP A 129 8.105 -0.228 -1.187 1.00 0.00 N ATOM 1203 CA ASP A 129 9.521 -0.063 -1.314 1.00 0.00 C ATOM 1204 C ASP A 129 10.128 -1.413 -1.090 1.00 0.00 C ATOM 1205 O ASP A 129 9.428 -2.415 -0.995 1.00 0.00 O ATOM 1206 CB ASP A 129 10.075 0.912 -0.259 1.00 0.00 C ATOM 1207 CG ASP A 129 11.049 1.856 -0.945 1.00 0.00 C ATOM 1208 OD1 ASP A 129 12.110 1.360 -1.409 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.731 3.075 -1.023 1.00 0.00 O ATOM 0 H ASP A 129 7.811 -0.768 -0.373 1.00 0.00 H new ATOM 0 HA ASP A 129 9.759 0.345 -2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.263 1.474 0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.576 0.364 0.539 1.00 0.00 H new ATOM 1214 N PHE A 130 11.468 -1.468 -0.952 1.00 0.00 N ATOM 1215 CA PHE A 130 12.121 -2.727 -0.741 1.00 0.00 C ATOM 1216 C PHE A 130 12.006 -3.057 0.721 1.00 0.00 C ATOM 1217 O PHE A 130 11.597 -2.224 1.532 1.00 0.00 O ATOM 1218 CB PHE A 130 13.608 -2.707 -1.139 1.00 0.00 C ATOM 1219 CG PHE A 130 14.028 -4.107 -1.451 1.00 0.00 C ATOM 1220 CD1 PHE A 130 13.679 -4.706 -2.669 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.819 -4.834 -0.573 1.00 0.00 C ATOM 1222 CE1 PHE A 130 14.020 -6.019 -2.937 1.00 0.00 C ATOM 1223 CE2 PHE A 130 15.153 -6.151 -0.842 1.00 0.00 C ATOM 1224 CZ PHE A 130 14.749 -6.747 -2.017 1.00 0.00 C ATOM 0 H PHE A 130 12.089 -0.659 -0.985 1.00 0.00 H new ATOM 0 HA PHE A 130 11.638 -3.474 -1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 130 13.761 -2.063 -2.005 1.00 0.00 H new ATOM 0 HB3 PHE A 130 14.213 -2.301 -0.328 1.00 0.00 H new ATOM 0 HD1 PHE A 130 13.137 -4.135 -3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 130 15.179 -4.367 0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 130 13.716 -6.476 -3.867 1.00 0.00 H new ATOM 0 HE2 PHE A 130 15.734 -6.714 -0.126 1.00 0.00 H new ATOM 0 HZ PHE A 130 15.001 -7.778 -2.217 1.00 0.00 H new