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+ -172:sc= 2.18 (180deg=1.18) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.91 K(o=5.1,f=-4.8) USER MOD Set 2.1: A 77 SER OG : rot 173:sc= -0.503 USER MOD Set 2.2: A 115 ASN : amide:sc= 0.696 K(o=0.19,f=-2.8) USER MOD Set 3.1: A 56 ASN : amide:sc= -0.048 X(o=-0.47,f=-0.51) USER MOD Set 3.2: A 71 ASN : amide:sc= -0.424 X(o=-0.47,f=-0.92) USER MOD Set 4.1: A 55 SER OG : rot -170:sc= 0.0445 USER MOD Set 4.2: A 57 THR OG1 : rot 180:sc= 0.693 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.113 K(o=-0.11,f=-5!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0895 USER MOD Single : A 79 HIS : no HD1:sc= -4.97! C(o=-5!,f=-11!) USER MOD Single : A 81 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 173:sc= -0.186 (180deg=-0.299) USER MOD Single : A 84 LYS NZ :NH3+ -165:sc=-0.00278 (180deg=-0.165) USER MOD Single : A 87 LYS NZ :NH3+ -149:sc= 0.63 (180deg=-0.651) USER MOD Single : A 92 GLN : amide:sc= -0.0324 K(o=-0.032,f=-2.3!) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.0251 USER MOD Single : A 96 CYS SG : rot 110:sc= 1.06 USER MOD Single : A 103 HIS : +bothHN:sc= 1.96 K(o=2,f=-11!) USER MOD Single : A 105 HIS : no HE2:sc= -6.5! C(o=-6.5!,f=-6!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -167:sc=-0.00994 (180deg=-0.192) USER MOD Single : A 116 THR OG1 : rot -51:sc= 0.595 USER MOD Single : A 120 SER OG : rot 93:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.901 8.054 2.735 1.00 0.00 N ATOM 2 CA SER A 55 -12.720 7.470 1.405 1.00 0.00 C ATOM 3 C SER A 55 -12.905 5.985 1.461 1.00 0.00 C ATOM 4 O SER A 55 -13.229 5.420 2.504 1.00 0.00 O ATOM 5 CB SER A 55 -11.296 7.755 0.887 1.00 0.00 C ATOM 6 OG SER A 55 -11.246 7.605 -0.529 1.00 0.00 O ATOM 0 HA SER A 55 -13.459 7.915 0.739 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.997 8.766 1.163 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.587 7.073 1.357 1.00 0.00 H new ATOM 0 HG SER A 55 -10.313 7.632 -0.828 1.00 0.00 H new ATOM 14 N ASN A 56 -12.704 5.325 0.309 1.00 0.00 N ATOM 15 CA ASN A 56 -12.697 3.893 0.265 1.00 0.00 C ATOM 16 C ASN A 56 -11.612 3.498 -0.691 1.00 0.00 C ATOM 17 O ASN A 56 -11.551 2.357 -1.148 1.00 0.00 O ATOM 18 CB ASN A 56 -14.039 3.273 -0.149 1.00 0.00 C ATOM 19 CG ASN A 56 -14.530 3.969 -1.413 1.00 0.00 C ATOM 20 OD1 ASN A 56 -15.297 4.931 -1.353 1.00 0.00 O ATOM 21 ND2 ASN A 56 -14.068 3.479 -2.591 1.00 0.00 N ATOM 0 H ASN A 56 -12.547 5.778 -0.591 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.519 3.512 1.271 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.922 2.204 -0.327 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.770 3.385 0.652 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.355 3.910 -3.470 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.434 2.680 -2.597 1.00 0.00 H new ATOM 28 N THR A 57 -10.715 4.460 -0.981 1.00 0.00 N ATOM 29 CA THR A 57 -9.716 4.263 -1.989 1.00 0.00 C ATOM 30 C THR A 57 -8.388 4.566 -1.370 1.00 0.00 C ATOM 31 O THR A 57 -8.291 5.372 -0.444 1.00 0.00 O ATOM 32 CB THR A 57 -9.892 5.202 -3.198 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.702 6.559 -2.808 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.291 5.151 -3.818 1.00 0.00 C ATOM 0 H THR A 57 -10.681 5.370 -0.521 1.00 0.00 H new ATOM 0 HA THR A 57 -9.798 3.237 -2.348 1.00 0.00 H new ATOM 0 HB THR A 57 -9.153 4.859 -3.922 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.816 7.142 -3.587 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.340 5.838 -4.663 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.500 4.138 -4.161 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.031 5.441 -3.072 1.00 0.00 H new ATOM 42 N ILE A 58 -7.326 3.921 -1.888 1.00 0.00 N ATOM 43 CA ILE A 58 -5.989 4.325 -1.560 1.00 0.00 C ATOM 44 C ILE A 58 -5.154 4.030 -2.760 1.00 0.00 C ATOM 45 O ILE A 58 -5.554 3.257 -3.631 1.00 0.00 O ATOM 46 CB ILE A 58 -5.352 3.646 -0.335 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.335 2.814 0.498 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.538 4.616 0.539 1.00 0.00 C ATOM 49 CD1 ILE A 58 -6.647 1.445 -0.115 1.00 0.00 C ATOM 0 H ILE A 58 -7.389 3.128 -2.527 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.037 5.380 -1.288 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.644 2.934 -0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.923 2.671 1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.264 3.372 0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.115 4.075 1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.732 5.050 -0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.189 5.410 0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.348 0.911 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.089 1.581 -1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.726 0.869 -0.206 1.00 0.00 H new ATOM 61 N ARG A 59 -3.958 4.643 -2.844 1.00 0.00 N ATOM 62 CA ARG A 59 -3.182 4.509 -4.035 1.00 0.00 C ATOM 63 C ARG A 59 -1.976 3.714 -3.696 1.00 0.00 C ATOM 64 O ARG A 59 -1.431 3.842 -2.607 1.00 0.00 O ATOM 65 CB ARG A 59 -2.779 5.872 -4.572 1.00 0.00 C ATOM 66 CG ARG A 59 -3.966 6.635 -5.157 1.00 0.00 C ATOM 67 CD ARG A 59 -4.122 8.059 -4.614 1.00 0.00 C ATOM 68 NE ARG A 59 -4.962 7.991 -3.379 1.00 0.00 N ATOM 69 CZ ARG A 59 -6.296 7.719 -3.455 1.00 0.00 C ATOM 70 NH1 ARG A 59 -6.927 7.650 -4.643 1.00 0.00 N ATOM 71 NH2 ARG A 59 -7.025 7.591 -2.325 1.00 0.00 N ATOM 0 H ARG A 59 -3.539 5.215 -2.110 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.766 4.012 -4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.332 6.459 -3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.015 5.747 -5.340 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.857 6.681 -6.241 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.880 6.077 -4.952 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.147 8.490 -4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.590 8.702 -5.359 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.532 8.150 -2.468 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.406 7.802 -5.507 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.926 7.445 -4.679 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.578 7.698 -1.415 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.023 7.388 -2.382 1.00 0.00 H new ATOM 85 N VAL A 60 -1.554 2.856 -4.639 1.00 0.00 N ATOM 86 CA VAL A 60 -0.395 2.042 -4.422 1.00 0.00 C ATOM 87 C VAL A 60 0.616 2.443 -5.440 1.00 0.00 C ATOM 88 O VAL A 60 0.430 2.232 -6.637 1.00 0.00 O ATOM 89 CB VAL A 60 -0.643 0.535 -4.557 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.509 -0.319 -4.011 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.958 0.075 -3.912 1.00 0.00 C ATOM 0 H VAL A 60 -2.007 2.724 -5.543 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.070 2.204 -3.394 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.713 0.377 -5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.270 -1.375 -4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.424 -0.086 -4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.652 -0.103 -2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.071 -1.001 -4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.943 0.311 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.795 0.588 -4.386 1.00 0.00 H new ATOM 101 N PHE A 61 1.734 3.016 -4.965 1.00 0.00 N ATOM 102 CA PHE A 61 2.772 3.457 -5.848 1.00 0.00 C ATOM 103 C PHE A 61 3.794 2.368 -5.891 1.00 0.00 C ATOM 104 O PHE A 61 4.040 1.686 -4.895 1.00 0.00 O ATOM 105 CB PHE A 61 3.447 4.751 -5.371 1.00 0.00 C ATOM 106 CG PHE A 61 2.611 5.905 -5.818 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.320 6.088 -5.343 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.154 6.901 -6.639 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.614 7.243 -5.627 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.459 8.068 -6.895 1.00 0.00 C ATOM 111 CZ PHE A 61 1.192 8.245 -6.376 1.00 0.00 C ATOM 0 H PHE A 61 1.921 3.175 -3.975 1.00 0.00 H new ATOM 0 HA PHE A 61 2.338 3.668 -6.825 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.545 4.751 -4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.453 4.829 -5.782 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.860 5.317 -4.743 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.130 6.755 -7.078 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.395 7.360 -5.260 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.907 8.841 -7.501 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.656 9.165 -6.556 1.00 0.00 H new ATOM 121 N LEU A 62 4.433 2.172 -7.062 1.00 0.00 N ATOM 122 CA LEU A 62 5.259 1.013 -7.235 1.00 0.00 C ATOM 123 C LEU A 62 6.661 1.390 -6.861 1.00 0.00 C ATOM 124 O LEU A 62 7.024 2.567 -6.814 1.00 0.00 O ATOM 125 CB LEU A 62 5.251 0.465 -8.672 1.00 0.00 C ATOM 126 CG LEU A 62 4.026 -0.397 -8.994 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.157 -1.842 -8.501 1.00 0.00 C ATOM 128 CD2 LEU A 62 2.719 0.197 -8.463 1.00 0.00 C ATOM 0 H LEU A 62 4.382 2.796 -7.867 1.00 0.00 H new ATOM 0 HA LEU A 62 4.861 0.221 -6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.290 1.301 -9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.153 -0.126 -8.831 1.00 0.00 H new ATOM 0 HG LEU A 62 3.987 -0.407 -10.083 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.256 -2.398 -8.761 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.021 -2.310 -8.972 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.287 -1.847 -7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.889 -0.460 -8.723 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.778 0.295 -7.379 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.558 1.179 -8.908 1.00 0.00 H new ATOM 140 N PRO A 63 7.460 0.336 -6.747 1.00 0.00 N ATOM 141 CA PRO A 63 8.833 0.720 -6.497 1.00 0.00 C ATOM 142 C PRO A 63 9.420 0.977 -7.868 1.00 0.00 C ATOM 143 O PRO A 63 10.585 1.345 -7.992 1.00 0.00 O ATOM 144 CB PRO A 63 9.471 -0.506 -5.887 1.00 0.00 C ATOM 145 CG PRO A 63 8.330 -1.326 -5.291 1.00 0.00 C ATOM 146 CD PRO A 63 7.044 -0.774 -5.906 1.00 0.00 C ATOM 0 HA PRO A 63 8.965 1.588 -5.851 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.011 -1.080 -6.640 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.193 -0.228 -5.119 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.449 -2.385 -5.522 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.312 -1.237 -4.205 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.529 -1.537 -6.490 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.351 -0.442 -5.133 1.00 0.00 H new ATOM 154 N ASN A 64 8.599 0.845 -8.933 1.00 0.00 N ATOM 155 CA ASN A 64 9.013 1.256 -10.242 1.00 0.00 C ATOM 156 C ASN A 64 8.496 2.652 -10.450 1.00 0.00 C ATOM 157 O ASN A 64 8.344 3.103 -11.583 1.00 0.00 O ATOM 158 CB ASN A 64 8.451 0.363 -11.360 1.00 0.00 C ATOM 159 CG ASN A 64 9.054 -1.027 -11.206 1.00 0.00 C ATOM 160 OD1 ASN A 64 10.274 -1.194 -11.201 1.00 0.00 O ATOM 161 ND2 ASN A 64 8.180 -2.061 -11.087 1.00 0.00 N ATOM 0 H ASN A 64 7.657 0.457 -8.887 1.00 0.00 H new ATOM 0 HA ASN A 64 10.100 1.190 -10.294 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.364 0.315 -11.298 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.696 0.778 -12.338 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.528 -3.015 -10.989 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.176 -1.883 -11.095 1.00 0.00 H new ATOM 168 N LYS A 65 8.097 3.313 -9.340 1.00 0.00 N ATOM 169 CA LYS A 65 7.764 4.711 -9.362 1.00 0.00 C ATOM 170 C LYS A 65 6.373 4.858 -9.884 1.00 0.00 C ATOM 171 O LYS A 65 5.883 5.971 -10.079 1.00 0.00 O ATOM 172 CB LYS A 65 8.740 5.598 -10.132 1.00 0.00 C ATOM 173 CG LYS A 65 10.190 5.362 -9.714 1.00 0.00 C ATOM 174 CD LYS A 65 11.051 4.732 -10.810 1.00 0.00 C ATOM 175 CE LYS A 65 11.994 3.647 -10.284 1.00 0.00 C ATOM 176 NZ LYS A 65 12.580 2.909 -11.399 1.00 0.00 N ATOM 0 H LYS A 65 8.005 2.876 -8.423 1.00 0.00 H new ATOM 0 HA LYS A 65 7.839 5.070 -8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.636 5.407 -11.200 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.483 6.645 -9.969 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.633 6.313 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.205 4.716 -8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.401 4.302 -11.572 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.638 5.511 -11.295 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.782 4.100 -9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.448 2.964 -9.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.219 2.175 -11.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.823 2.463 -11.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.116 3.563 -12.005 1.00 0.00 H new ATOM 190 N GLN A 66 5.681 3.719 -10.058 1.00 0.00 N ATOM 191 CA GLN A 66 4.399 3.738 -10.700 1.00 0.00 C ATOM 192 C GLN A 66 3.355 3.937 -9.658 1.00 0.00 C ATOM 193 O GLN A 66 3.651 4.313 -8.530 1.00 0.00 O ATOM 194 CB GLN A 66 4.069 2.501 -11.544 1.00 0.00 C ATOM 195 CG GLN A 66 3.990 2.793 -13.043 1.00 0.00 C ATOM 196 CD GLN A 66 2.531 2.706 -13.468 1.00 0.00 C ATOM 197 OE1 GLN A 66 2.067 1.668 -13.940 1.00 0.00 O ATOM 198 NE2 GLN A 66 1.761 3.801 -13.244 1.00 0.00 N ATOM 0 H GLN A 66 6.000 2.797 -9.761 1.00 0.00 H new ATOM 0 HA GLN A 66 4.426 4.560 -11.415 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.828 1.738 -11.369 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.117 2.086 -11.211 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.390 3.784 -13.259 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.592 2.077 -13.602 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.177 4.646 -12.852 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.766 3.779 -13.468 1.00 0.00 H new ATOM 207 N ARG A 67 2.084 3.773 -10.066 1.00 0.00 N ATOM 208 CA ARG A 67 0.993 4.111 -9.207 1.00 0.00 C ATOM 209 C ARG A 67 -0.222 3.407 -9.718 1.00 0.00 C ATOM 210 O ARG A 67 -0.245 2.922 -10.851 1.00 0.00 O ATOM 211 CB ARG A 67 0.708 5.613 -9.169 1.00 0.00 C ATOM 212 CG ARG A 67 0.713 6.275 -10.549 1.00 0.00 C ATOM 213 CD ARG A 67 2.038 6.966 -10.881 1.00 0.00 C ATOM 214 NE ARG A 67 2.212 6.915 -12.364 1.00 0.00 N ATOM 215 CZ ARG A 67 3.416 7.200 -12.932 1.00 0.00 C ATOM 216 NH1 ARG A 67 4.532 7.301 -12.183 1.00 0.00 N ATOM 217 NH2 ARG A 67 3.536 7.229 -14.278 1.00 0.00 N ATOM 0 H ARG A 67 1.814 3.410 -10.980 1.00 0.00 H new ATOM 0 HA ARG A 67 1.254 3.808 -8.193 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.262 5.778 -8.700 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.453 6.100 -8.540 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.504 5.521 -11.308 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.093 7.007 -10.597 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.030 7.998 -10.531 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.867 6.466 -10.380 1.00 0.00 H new ATOM 0 HE ARG A 67 1.421 6.664 -12.957 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.483 7.163 -11.174 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.426 7.515 -12.626 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.725 7.038 -14.867 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.437 7.442 -14.705 1.00 0.00 H new ATOM 231 N THR A 68 -1.254 3.348 -8.857 1.00 0.00 N ATOM 232 CA THR A 68 -2.510 2.757 -9.219 1.00 0.00 C ATOM 233 C THR A 68 -3.405 2.940 -8.035 1.00 0.00 C ATOM 234 O THR A 68 -2.939 3.289 -6.951 1.00 0.00 O ATOM 235 CB THR A 68 -2.439 1.263 -9.587 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.702 0.808 -10.051 1.00 0.00 O ATOM 237 CG2 THR A 68 -1.943 0.357 -8.452 1.00 0.00 C ATOM 0 H THR A 68 -1.220 3.711 -7.904 1.00 0.00 H new ATOM 0 HA THR A 68 -2.873 3.246 -10.123 1.00 0.00 H new ATOM 0 HB THR A 68 -1.694 1.191 -10.380 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.642 -0.142 -10.283 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.923 -0.678 -8.795 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.939 0.661 -8.156 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.614 0.443 -7.598 1.00 0.00 H new ATOM 245 N VAL A 69 -4.723 2.737 -8.218 1.00 0.00 N ATOM 246 CA VAL A 69 -5.637 2.938 -7.132 1.00 0.00 C ATOM 247 C VAL A 69 -6.242 1.614 -6.802 1.00 0.00 C ATOM 248 O VAL A 69 -6.533 0.808 -7.684 1.00 0.00 O ATOM 249 CB VAL A 69 -6.747 3.958 -7.417 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.388 3.802 -8.802 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.815 4.055 -6.309 1.00 0.00 C ATOM 0 H VAL A 69 -5.150 2.441 -9.096 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.071 3.356 -6.300 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.222 4.913 -7.419 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.163 4.557 -8.931 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.627 3.928 -9.572 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.830 2.809 -8.889 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.562 4.798 -6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.297 3.085 -6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.342 4.351 -5.373 1.00 0.00 H new ATOM 261 N VAL A 70 -6.447 1.384 -5.495 1.00 0.00 N ATOM 262 CA VAL A 70 -7.064 0.174 -5.044 1.00 0.00 C ATOM 263 C VAL A 70 -8.150 0.566 -4.092 1.00 0.00 C ATOM 264 O VAL A 70 -8.176 1.690 -3.587 1.00 0.00 O ATOM 265 CB VAL A 70 -6.081 -0.779 -4.352 1.00 0.00 C ATOM 266 CG1 VAL A 70 -5.018 -1.337 -5.302 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.345 -0.155 -3.156 1.00 0.00 C ATOM 0 H VAL A 70 -6.187 2.032 -4.751 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.451 -0.369 -5.906 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.726 -1.582 -3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.353 -2.004 -4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.503 -1.890 -6.106 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.440 -0.515 -5.724 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.669 -0.891 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.773 0.710 -3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.071 0.159 -2.406 1.00 0.00 H new ATOM 277 N ASN A 71 -9.095 -0.360 -3.844 1.00 0.00 N ATOM 278 CA ASN A 71 -10.236 -0.041 -3.035 1.00 0.00 C ATOM 279 C ASN A 71 -10.286 -1.047 -1.931 1.00 0.00 C ATOM 280 O ASN A 71 -9.857 -2.187 -2.099 1.00 0.00 O ATOM 281 CB ASN A 71 -11.561 -0.158 -3.809 1.00 0.00 C ATOM 282 CG ASN A 71 -11.693 1.049 -4.728 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.403 2.004 -4.418 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.039 0.987 -5.919 1.00 0.00 N ATOM 0 H ASN A 71 -9.073 -1.317 -4.197 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.131 0.987 -2.688 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.580 -1.080 -4.390 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.402 -0.200 -3.116 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.129 1.750 -6.590 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.459 0.178 -6.141 1.00 0.00 H new ATOM 291 N VAL A 72 -10.865 -0.651 -0.781 1.00 0.00 N ATOM 292 CA VAL A 72 -11.044 -1.578 0.299 1.00 0.00 C ATOM 293 C VAL A 72 -12.505 -1.890 0.371 1.00 0.00 C ATOM 294 O VAL A 72 -13.304 -1.078 0.830 1.00 0.00 O ATOM 295 CB VAL A 72 -10.548 -1.072 1.658 1.00 0.00 C ATOM 296 CG1 VAL A 72 -10.569 -2.147 2.752 1.00 0.00 C ATOM 297 CG2 VAL A 72 -9.123 -0.520 1.595 1.00 0.00 C ATOM 0 H VAL A 72 -11.204 0.294 -0.599 1.00 0.00 H new ATOM 0 HA VAL A 72 -10.437 -2.459 0.090 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.251 -0.279 1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.206 -1.721 3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -11.589 -2.507 2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.928 -2.978 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.822 -0.176 2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.443 -1.304 1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.086 0.314 0.894 1.00 0.00 H new ATOM 369 N SER A 77 -6.841 -5.468 3.214 1.00 0.00 N ATOM 370 CA SER A 77 -5.663 -5.389 4.030 1.00 0.00 C ATOM 371 C SER A 77 -4.626 -4.643 3.276 1.00 0.00 C ATOM 372 O SER A 77 -4.914 -3.668 2.591 1.00 0.00 O ATOM 373 CB SER A 77 -5.081 -6.735 4.503 1.00 0.00 C ATOM 374 OG SER A 77 -4.599 -6.618 5.832 1.00 0.00 O ATOM 0 HA SER A 77 -5.968 -4.883 4.946 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.847 -7.509 4.453 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.272 -7.043 3.840 1.00 0.00 H new ATOM 0 HG SER A 77 -4.331 -7.501 6.162 1.00 0.00 H new ATOM 380 N LEU A 78 -3.362 -4.937 3.602 1.00 0.00 N ATOM 381 CA LEU A 78 -2.269 -4.450 2.836 1.00 0.00 C ATOM 382 C LEU A 78 -1.884 -5.545 1.911 1.00 0.00 C ATOM 383 O LEU A 78 -1.870 -5.363 0.704 1.00 0.00 O ATOM 384 CB LEU A 78 -1.114 -4.154 3.790 1.00 0.00 C ATOM 385 CG LEU A 78 -0.995 -2.676 4.135 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.681 -1.838 2.943 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.320 -2.024 4.501 1.00 0.00 C ATOM 0 H LEU A 78 -3.097 -5.515 4.400 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.521 -3.545 2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.251 -4.726 4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.181 -4.493 3.339 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.249 -2.696 4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.607 -0.793 3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.267 -2.160 2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.473 -1.948 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.156 -0.972 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.010 -2.106 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.745 -2.526 5.370 1.00 0.00 H new ATOM 399 N HIS A 79 -1.727 -6.753 2.474 1.00 0.00 N ATOM 400 CA HIS A 79 -1.230 -7.880 1.738 1.00 0.00 C ATOM 401 C HIS A 79 -2.179 -8.163 0.616 1.00 0.00 C ATOM 402 O HIS A 79 -1.792 -8.133 -0.535 1.00 0.00 O ATOM 403 CB HIS A 79 -1.206 -9.133 2.622 1.00 0.00 C ATOM 404 CG HIS A 79 0.131 -9.411 3.240 1.00 0.00 C ATOM 405 ND1 HIS A 79 0.240 -10.076 4.430 1.00 0.00 N ATOM 406 CD2 HIS A 79 1.371 -9.417 2.689 1.00 0.00 C ATOM 407 CE1 HIS A 79 1.500 -10.434 4.605 1.00 0.00 C ATOM 408 NE2 HIS A 79 2.195 -10.093 3.539 1.00 0.00 N ATOM 0 H HIS A 79 -1.946 -6.955 3.450 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.225 -7.650 1.384 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.946 -9.022 3.414 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.506 -9.994 2.024 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.654 -8.968 1.748 1.00 0.00 H new ATOM 0 HE1 HIS A 79 1.896 -10.927 5.481 1.00 0.00 H new ATOM 0 HE2 HIS A 79 3.181 -10.299 3.377 1.00 0.00 H new ATOM 417 N ASP A 80 -3.468 -8.405 0.929 1.00 0.00 N ATOM 418 CA ASP A 80 -4.375 -8.873 -0.081 1.00 0.00 C ATOM 419 C ASP A 80 -4.780 -7.699 -0.933 1.00 0.00 C ATOM 420 O ASP A 80 -5.219 -7.873 -2.068 1.00 0.00 O ATOM 421 CB ASP A 80 -5.629 -9.582 0.460 1.00 0.00 C ATOM 422 CG ASP A 80 -5.230 -10.394 1.686 1.00 0.00 C ATOM 423 OD1 ASP A 80 -4.889 -9.770 2.731 1.00 0.00 O ATOM 424 OD2 ASP A 80 -5.223 -11.648 1.587 1.00 0.00 O ATOM 0 H ASP A 80 -3.876 -8.281 1.856 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.843 -9.631 -0.656 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.395 -8.852 0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.056 -10.232 -0.303 1.00 0.00 H new ATOM 429 N CYS A 81 -4.582 -6.465 -0.424 1.00 0.00 N ATOM 430 CA CYS A 81 -4.959 -5.301 -1.179 1.00 0.00 C ATOM 431 C CYS A 81 -3.835 -4.965 -2.131 1.00 0.00 C ATOM 432 O CYS A 81 -4.026 -4.244 -3.109 1.00 0.00 O ATOM 433 CB CYS A 81 -5.184 -4.108 -0.244 1.00 0.00 C ATOM 434 SG CYS A 81 -6.280 -2.888 -1.042 1.00 0.00 S ATOM 0 H CYS A 81 -4.170 -6.273 0.489 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.882 -5.506 -1.721 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.626 -4.448 0.693 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.229 -3.644 0.003 1.00 0.00 H new ATOM 0 HG CYS A 81 -6.466 -1.882 -0.240 1.00 0.00 H new ATOM 440 N LEU A 82 -2.622 -5.479 -1.854 1.00 0.00 N ATOM 441 CA LEU A 82 -1.459 -5.073 -2.597 1.00 0.00 C ATOM 442 C LEU A 82 -1.066 -6.200 -3.456 1.00 0.00 C ATOM 443 O LEU A 82 -0.599 -5.999 -4.569 1.00 0.00 O ATOM 444 CB LEU A 82 -0.264 -4.904 -1.672 1.00 0.00 C ATOM 445 CG LEU A 82 -0.256 -3.582 -0.917 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.896 -2.662 -1.323 1.00 0.00 C ATOM 447 CD2 LEU A 82 -1.554 -2.785 -1.065 1.00 0.00 C ATOM 0 H LEU A 82 -2.443 -6.169 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.699 -4.152 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.254 -5.723 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.652 -4.983 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.135 -3.890 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.843 -1.738 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.846 -3.159 -1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.821 -2.433 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.477 -1.856 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.723 -2.558 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.388 -3.373 -0.682 1.00 0.00 H new ATOM 459 N MET A 83 -1.106 -7.405 -2.872 1.00 0.00 N ATOM 460 CA MET A 83 -0.855 -8.621 -3.587 1.00 0.00 C ATOM 461 C MET A 83 -1.689 -8.596 -4.821 1.00 0.00 C ATOM 462 O MET A 83 -1.226 -9.077 -5.830 1.00 0.00 O ATOM 463 CB MET A 83 -1.326 -9.755 -2.682 1.00 0.00 C ATOM 464 CG MET A 83 -1.542 -11.085 -3.393 1.00 0.00 C ATOM 465 SD MET A 83 0.067 -11.835 -3.800 1.00 0.00 S ATOM 466 CE MET A 83 0.530 -12.473 -2.157 1.00 0.00 C ATOM 0 H MET A 83 -1.316 -7.543 -1.884 1.00 0.00 H new ATOM 0 HA MET A 83 0.195 -8.744 -3.852 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.593 -9.897 -1.888 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.259 -9.457 -2.204 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.117 -11.758 -2.758 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.123 -10.932 -4.303 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.435 -13.074 -2.242 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.711 -11.638 -1.480 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.279 -13.089 -1.765 1.00 0.00 H new ATOM 476 N LYS A 84 -2.865 -7.951 -4.717 1.00 0.00 N ATOM 477 CA LYS A 84 -3.678 -7.634 -5.834 1.00 0.00 C ATOM 478 C LYS A 84 -2.869 -6.846 -6.838 1.00 0.00 C ATOM 479 O LYS A 84 -2.722 -7.264 -7.980 1.00 0.00 O ATOM 480 CB LYS A 84 -4.714 -6.697 -5.210 1.00 0.00 C ATOM 481 CG LYS A 84 -5.778 -6.255 -6.186 1.00 0.00 C ATOM 482 CD LYS A 84 -6.046 -7.326 -7.229 1.00 0.00 C ATOM 483 CE LYS A 84 -7.372 -7.147 -7.971 1.00 0.00 C ATOM 484 NZ LYS A 84 -8.488 -7.454 -7.081 1.00 0.00 N ATOM 0 H LYS A 84 -3.256 -7.644 -3.826 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.091 -8.505 -6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.189 -7.200 -4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.207 -5.818 -4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.698 -6.030 -5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.464 -5.335 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.232 -7.326 -7.954 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.041 -8.302 -6.744 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.458 -6.124 -8.336 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.401 -7.800 -8.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.355 -7.579 -7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.284 -8.330 -6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.621 -6.672 -6.408 1.00 0.00 H new ATOM 498 N ALA A 85 -2.392 -5.655 -6.427 1.00 0.00 N ATOM 499 CA ALA A 85 -1.791 -4.708 -7.341 1.00 0.00 C ATOM 500 C ALA A 85 -0.587 -5.336 -7.972 1.00 0.00 C ATOM 501 O ALA A 85 -0.355 -5.194 -9.167 1.00 0.00 O ATOM 502 CB ALA A 85 -1.277 -3.565 -6.438 1.00 0.00 C ATOM 0 H ALA A 85 -2.419 -5.339 -5.457 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.490 -4.384 -8.112 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.804 -2.800 -7.053 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.114 -3.127 -5.894 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.550 -3.961 -5.729 1.00 0.00 H new ATOM 508 N LEU A 86 0.229 -6.018 -7.157 1.00 0.00 N ATOM 509 CA LEU A 86 1.520 -6.466 -7.593 1.00 0.00 C ATOM 510 C LEU A 86 1.330 -7.761 -8.266 1.00 0.00 C ATOM 511 O LEU A 86 2.195 -8.217 -8.994 1.00 0.00 O ATOM 512 CB LEU A 86 2.364 -6.713 -6.362 1.00 0.00 C ATOM 513 CG LEU A 86 2.450 -5.473 -5.480 1.00 0.00 C ATOM 514 CD1 LEU A 86 2.318 -5.766 -4.018 1.00 0.00 C ATOM 515 CD2 LEU A 86 3.451 -4.441 -5.978 1.00 0.00 C ATOM 0 H LEU A 86 -0.000 -6.262 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 86 1.990 -5.736 -8.252 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.940 -7.538 -5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.367 -7.016 -6.663 1.00 0.00 H new ATOM 0 HG LEU A 86 1.540 -4.886 -5.605 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.389 -4.837 -3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.353 -6.234 -3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.116 -6.441 -3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.459 -3.586 -5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.446 -4.886 -6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.167 -4.111 -6.977 1.00 0.00 H new ATOM 527 N LYS A 87 0.183 -8.389 -7.989 1.00 0.00 N ATOM 528 CA LYS A 87 -0.195 -9.589 -8.687 1.00 0.00 C ATOM 529 C LYS A 87 -0.301 -9.254 -10.144 1.00 0.00 C ATOM 530 O LYS A 87 0.167 -10.011 -10.995 1.00 0.00 O ATOM 531 CB LYS A 87 -1.601 -10.059 -8.309 1.00 0.00 C ATOM 532 CG LYS A 87 -1.658 -11.512 -7.864 1.00 0.00 C ATOM 533 CD LYS A 87 -2.030 -12.468 -9.001 1.00 0.00 C ATOM 534 CE LYS A 87 -0.913 -13.448 -9.371 1.00 0.00 C ATOM 535 NZ LYS A 87 0.260 -12.720 -9.849 1.00 0.00 N ATOM 0 H LYS A 87 -0.487 -8.076 -7.287 1.00 0.00 H new ATOM 0 HA LYS A 87 0.544 -10.352 -8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.983 -9.427 -7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.263 -9.924 -9.165 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.689 -11.800 -7.456 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.386 -11.612 -7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.917 -13.033 -8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.296 -11.884 -9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.647 -14.051 -8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.263 -14.135 -10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.766 -13.298 -10.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.041 -11.827 -10.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.892 -12.515 -9.048 1.00 0.00 H new ATOM 549 N VAL A 88 -0.993 -8.133 -10.419 1.00 0.00 N ATOM 550 CA VAL A 88 -1.218 -7.658 -11.761 1.00 0.00 C ATOM 551 C VAL A 88 0.120 -7.471 -12.424 1.00 0.00 C ATOM 552 O VAL A 88 0.269 -7.683 -13.626 1.00 0.00 O ATOM 553 CB VAL A 88 -1.880 -6.272 -11.710 1.00 0.00 C ATOM 554 CG1 VAL A 88 -2.094 -5.620 -13.076 1.00 0.00 C ATOM 555 CG2 VAL A 88 -3.168 -6.236 -10.898 1.00 0.00 C ATOM 0 H VAL A 88 -1.407 -7.541 -9.699 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.846 -8.370 -12.296 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.139 -5.669 -11.185 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.566 -4.646 -12.944 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.132 -5.493 -13.573 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.737 -6.255 -13.686 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.576 -5.225 -10.908 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.892 -6.924 -11.334 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.959 -6.532 -9.870 1.00 0.00 H new ATOM 565 N ARG A 89 1.119 -7.058 -11.626 1.00 0.00 N ATOM 566 CA ARG A 89 2.370 -6.620 -12.163 1.00 0.00 C ATOM 567 C ARG A 89 3.273 -7.813 -12.261 1.00 0.00 C ATOM 568 O ARG A 89 4.106 -7.903 -13.162 1.00 0.00 O ATOM 569 CB ARG A 89 2.958 -5.602 -11.188 1.00 0.00 C ATOM 570 CG ARG A 89 1.980 -4.470 -10.860 1.00 0.00 C ATOM 571 CD ARG A 89 2.394 -3.122 -11.446 1.00 0.00 C ATOM 572 NE ARG A 89 1.387 -2.112 -11.005 1.00 0.00 N ATOM 573 CZ ARG A 89 1.336 -0.887 -11.595 1.00 0.00 C ATOM 574 NH1 ARG A 89 2.077 -0.621 -12.688 1.00 0.00 N ATOM 575 NH2 ARG A 89 0.477 0.048 -11.132 1.00 0.00 N ATOM 0 H ARG A 89 1.061 -7.027 -10.608 1.00 0.00 H new ATOM 0 HA ARG A 89 2.253 -6.168 -13.148 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.243 -6.109 -10.266 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.868 -5.179 -11.614 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.992 -4.733 -11.237 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.894 -4.376 -9.777 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.391 -2.845 -11.103 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.434 -3.173 -12.534 1.00 0.00 H new ATOM 0 HE ARG A 89 0.733 -2.342 -10.257 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.683 -1.341 -13.081 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.032 0.300 -13.123 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.132 -0.165 -10.342 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.437 0.967 -11.573 1.00 0.00 H new ATOM 589 N GLY A 90 3.133 -8.749 -11.306 1.00 0.00 N ATOM 590 CA GLY A 90 3.946 -9.933 -11.299 1.00 0.00 C ATOM 591 C GLY A 90 5.038 -9.717 -10.300 1.00 0.00 C ATOM 592 O GLY A 90 6.141 -10.239 -10.450 1.00 0.00 O ATOM 0 H GLY A 90 2.461 -8.690 -10.541 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.350 -10.807 -11.034 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.362 -10.119 -12.289 1.00 0.00 H new ATOM 596 N LEU A 91 4.738 -8.946 -9.238 1.00 0.00 N ATOM 597 CA LEU A 91 5.744 -8.590 -8.282 1.00 0.00 C ATOM 598 C LEU A 91 5.442 -9.331 -7.015 1.00 0.00 C ATOM 599 O LEU A 91 4.361 -9.894 -6.845 1.00 0.00 O ATOM 600 CB LEU A 91 5.740 -7.086 -7.959 1.00 0.00 C ATOM 601 CG LEU A 91 6.300 -6.204 -9.081 1.00 0.00 C ATOM 602 CD1 LEU A 91 7.020 -4.956 -8.557 1.00 0.00 C ATOM 603 CD2 LEU A 91 7.205 -6.958 -10.060 1.00 0.00 C ATOM 0 H LEU A 91 3.810 -8.572 -9.042 1.00 0.00 H new ATOM 0 HA LEU A 91 6.719 -8.842 -8.700 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.718 -6.774 -7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.323 -6.918 -7.054 1.00 0.00 H new ATOM 0 HG LEU A 91 5.417 -5.882 -9.633 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.394 -4.372 -9.398 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.324 -4.351 -7.976 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.855 -5.256 -7.924 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.564 -6.271 -10.826 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.055 -7.377 -9.521 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.641 -7.763 -10.530 1.00 0.00 H new ATOM 615 N GLN A 92 6.403 -9.305 -6.070 1.00 0.00 N ATOM 616 CA GLN A 92 6.235 -10.008 -4.831 1.00 0.00 C ATOM 617 C GLN A 92 5.939 -8.982 -3.771 1.00 0.00 C ATOM 618 O GLN A 92 6.509 -7.892 -3.760 1.00 0.00 O ATOM 619 CB GLN A 92 7.491 -10.784 -4.409 1.00 0.00 C ATOM 620 CG GLN A 92 8.010 -11.736 -5.495 1.00 0.00 C ATOM 621 CD GLN A 92 9.137 -12.574 -4.891 1.00 0.00 C ATOM 622 OE1 GLN A 92 9.470 -12.437 -3.713 1.00 0.00 O ATOM 623 NE2 GLN A 92 9.767 -13.478 -5.701 1.00 0.00 N ATOM 0 H GLN A 92 7.287 -8.804 -6.161 1.00 0.00 H new ATOM 0 HA GLN A 92 5.431 -10.734 -4.957 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.278 -10.075 -4.151 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.270 -11.357 -3.509 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.206 -12.380 -5.853 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.373 -11.172 -6.354 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.479 -13.579 -6.674 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.525 -14.052 -5.332 1.00 0.00 H new ATOM 632 N PRO A 93 5.116 -9.420 -2.827 1.00 0.00 N ATOM 633 CA PRO A 93 4.814 -8.379 -1.867 1.00 0.00 C ATOM 634 C PRO A 93 5.639 -8.728 -0.655 1.00 0.00 C ATOM 635 O PRO A 93 6.040 -7.855 0.107 1.00 0.00 O ATOM 636 CB PRO A 93 3.351 -8.560 -1.519 1.00 0.00 C ATOM 637 CG PRO A 93 2.974 -9.966 -1.970 1.00 0.00 C ATOM 638 CD PRO A 93 4.024 -10.363 -3.000 1.00 0.00 C ATOM 0 HA PRO A 93 5.013 -7.366 -2.218 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.188 -8.439 -0.448 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.737 -7.813 -2.021 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.969 -10.659 -1.129 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.974 -9.983 -2.403 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.361 -11.387 -2.841 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.620 -10.314 -4.011 1.00 0.00 H new ATOM 646 N GLU A 94 5.985 -10.022 -0.482 1.00 0.00 N ATOM 647 CA GLU A 94 6.576 -10.469 0.750 1.00 0.00 C ATOM 648 C GLU A 94 8.021 -10.057 0.760 1.00 0.00 C ATOM 649 O GLU A 94 8.687 -10.121 1.791 1.00 0.00 O ATOM 650 CB GLU A 94 6.524 -11.994 0.913 1.00 0.00 C ATOM 651 CG GLU A 94 5.118 -12.535 1.205 1.00 0.00 C ATOM 652 CD GLU A 94 4.785 -12.248 2.664 1.00 0.00 C ATOM 653 OE1 GLU A 94 4.460 -11.069 2.980 1.00 0.00 O ATOM 654 OE2 GLU A 94 4.807 -13.209 3.476 1.00 0.00 O ATOM 0 H GLU A 94 5.858 -10.751 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 94 6.009 -10.021 1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.902 -12.461 0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.192 -12.287 1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.386 -12.063 0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.076 -13.607 1.010 1.00 0.00 H new ATOM 661 N CYS A 95 8.540 -9.608 -0.399 1.00 0.00 N ATOM 662 CA CYS A 95 9.919 -9.218 -0.477 1.00 0.00 C ATOM 663 C CYS A 95 9.966 -7.718 -0.441 1.00 0.00 C ATOM 664 O CYS A 95 11.021 -7.110 -0.629 1.00 0.00 O ATOM 665 CB CYS A 95 10.574 -9.693 -1.782 1.00 0.00 C ATOM 666 SG CYS A 95 12.382 -9.792 -1.566 1.00 0.00 S ATOM 0 H CYS A 95 8.017 -9.515 -1.270 1.00 0.00 H new ATOM 0 HA CYS A 95 10.461 -9.669 0.354 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.178 -10.669 -2.064 1.00 0.00 H new ATOM 0 HB3 CYS A 95 10.333 -9.005 -2.592 1.00 0.00 H new ATOM 0 HG CYS A 95 12.930 -10.197 -2.673 1.00 0.00 H new ATOM 672 N CYS A 96 8.814 -7.077 -0.167 1.00 0.00 N ATOM 673 CA CYS A 96 8.744 -5.650 -0.250 1.00 0.00 C ATOM 674 C CYS A 96 8.189 -5.146 1.049 1.00 0.00 C ATOM 675 O CYS A 96 7.717 -5.916 1.885 1.00 0.00 O ATOM 676 CB CYS A 96 7.786 -5.191 -1.353 1.00 0.00 C ATOM 677 SG CYS A 96 8.471 -5.626 -2.985 1.00 0.00 S ATOM 0 H CYS A 96 7.946 -7.537 0.107 1.00 0.00 H new ATOM 0 HA CYS A 96 9.742 -5.269 -0.465 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.812 -5.661 -1.220 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.632 -4.114 -1.288 1.00 0.00 H new ATOM 0 HG CYS A 96 7.761 -6.578 -3.514 1.00 0.00 H new ATOM 683 N ALA A 97 8.244 -3.813 1.227 1.00 0.00 N ATOM 684 CA ALA A 97 7.613 -3.180 2.348 1.00 0.00 C ATOM 685 C ALA A 97 6.727 -2.120 1.791 1.00 0.00 C ATOM 686 O ALA A 97 7.110 -1.386 0.884 1.00 0.00 O ATOM 687 CB ALA A 97 8.540 -2.500 3.370 1.00 0.00 C ATOM 0 H ALA A 97 8.725 -3.172 0.596 1.00 0.00 H new ATOM 0 HA ALA A 97 7.112 -3.977 2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.942 -2.060 4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.220 -3.239 3.793 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.116 -1.718 2.875 1.00 0.00 H new ATOM 693 N VAL A 98 5.511 -2.010 2.348 1.00 0.00 N ATOM 694 CA VAL A 98 4.592 -1.002 1.919 1.00 0.00 C ATOM 695 C VAL A 98 4.641 0.100 2.932 1.00 0.00 C ATOM 696 O VAL A 98 4.951 -0.116 4.106 1.00 0.00 O ATOM 697 CB VAL A 98 3.165 -1.547 1.810 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.754 -2.398 3.010 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.104 -0.477 1.554 1.00 0.00 C ATOM 0 H VAL A 98 5.163 -2.615 3.092 1.00 0.00 H new ATOM 0 HA VAL A 98 4.873 -0.646 0.928 1.00 0.00 H new ATOM 0 HB VAL A 98 3.205 -2.186 0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.733 -2.754 2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.427 -3.251 3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.809 -1.797 3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.122 -0.946 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.109 0.244 2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.323 0.036 0.617 1.00 0.00 H new ATOM 709 N PHE A 99 4.335 1.328 2.477 1.00 0.00 N ATOM 710 CA PHE A 99 4.532 2.489 3.290 1.00 0.00 C ATOM 711 C PHE A 99 3.414 3.431 2.998 1.00 0.00 C ATOM 712 O PHE A 99 2.822 3.402 1.919 1.00 0.00 O ATOM 713 CB PHE A 99 5.792 3.283 2.911 1.00 0.00 C ATOM 714 CG PHE A 99 6.985 2.535 3.395 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.494 1.468 2.676 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.776 3.015 4.451 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.823 1.121 2.779 1.00 0.00 C ATOM 718 CE2 PHE A 99 9.099 2.670 4.555 1.00 0.00 C ATOM 719 CZ PHE A 99 9.644 1.806 3.645 1.00 0.00 C ATOM 0 H PHE A 99 3.953 1.517 1.550 1.00 0.00 H new ATOM 0 HA PHE A 99 4.601 2.145 4.322 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.843 3.420 1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.762 4.277 3.357 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.842 0.901 2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.336 3.666 5.192 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.220 0.313 2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.706 3.077 5.350 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.714 1.662 3.607 1.00 0.00 H new ATOM 729 N ARG A 100 3.201 4.375 3.931 1.00 0.00 N ATOM 730 CA ARG A 100 2.488 5.575 3.617 1.00 0.00 C ATOM 731 C ARG A 100 3.524 6.564 3.175 1.00 0.00 C ATOM 732 O ARG A 100 4.654 6.559 3.667 1.00 0.00 O ATOM 733 CB ARG A 100 1.796 6.173 4.839 1.00 0.00 C ATOM 734 CG ARG A 100 0.358 5.687 5.023 1.00 0.00 C ATOM 735 CD ARG A 100 -0.157 5.821 6.460 1.00 0.00 C ATOM 736 NE ARG A 100 -0.967 7.075 6.546 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.378 8.285 6.759 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.903 8.376 7.172 1.00 0.00 N ATOM 739 NH2 ARG A 100 -1.127 9.411 6.743 1.00 0.00 N ATOM 0 H ARG A 100 3.520 4.309 4.898 1.00 0.00 H new ATOM 0 HA ARG A 100 1.727 5.355 2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.372 5.925 5.731 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.796 7.259 4.751 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.295 6.252 4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.295 4.642 4.720 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.764 4.956 6.729 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.676 5.857 7.162 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.980 7.024 6.443 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.449 7.529 7.331 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.325 9.292 7.326 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.131 9.353 6.572 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.688 10.318 6.902 1.00 0.00 H new ATOM 753 N LEU A 101 3.149 7.476 2.261 1.00 0.00 N ATOM 754 CA LEU A 101 4.093 8.425 1.751 1.00 0.00 C ATOM 755 C LEU A 101 4.241 9.514 2.770 1.00 0.00 C ATOM 756 O LEU A 101 3.696 9.452 3.875 1.00 0.00 O ATOM 757 CB LEU A 101 3.602 9.054 0.437 1.00 0.00 C ATOM 758 CG LEU A 101 3.764 8.130 -0.771 1.00 0.00 C ATOM 759 CD1 LEU A 101 2.893 6.885 -0.696 1.00 0.00 C ATOM 760 CD2 LEU A 101 3.488 8.821 -2.110 1.00 0.00 C ATOM 0 H LEU A 101 2.207 7.558 1.879 1.00 0.00 H new ATOM 0 HA LEU A 101 5.037 7.917 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.551 9.324 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.152 9.978 0.256 1.00 0.00 H new ATOM 0 HG LEU A 101 4.814 7.840 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.056 6.273 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.154 6.311 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.844 7.177 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.622 8.107 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.465 9.196 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.181 9.652 -2.240 1.00 0.00 H new ATOM 772 N LEU A 102 4.990 10.570 2.403 1.00 0.00 N ATOM 773 CA LEU A 102 5.316 11.597 3.340 1.00 0.00 C ATOM 774 C LEU A 102 4.196 12.592 3.345 1.00 0.00 C ATOM 775 O LEU A 102 4.303 13.692 2.808 1.00 0.00 O ATOM 776 CB LEU A 102 6.663 12.258 3.042 1.00 0.00 C ATOM 777 CG LEU A 102 7.111 12.115 1.585 1.00 0.00 C ATOM 778 CD1 LEU A 102 6.131 12.755 0.603 1.00 0.00 C ATOM 779 CD2 LEU A 102 8.543 12.595 1.341 1.00 0.00 C ATOM 0 H LEU A 102 5.366 10.711 1.466 1.00 0.00 H new ATOM 0 HA LEU A 102 5.427 11.156 4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.601 13.317 3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.423 11.822 3.691 1.00 0.00 H new ATOM 0 HG LEU A 102 7.108 11.042 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.498 12.624 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.155 12.279 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.040 13.819 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.796 12.465 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.624 13.649 1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.231 12.013 1.954 1.00 0.00 H new ATOM 791 N HIS A 103 3.090 12.230 4.026 1.00 0.00 N ATOM 792 CA HIS A 103 2.001 13.145 4.197 1.00 0.00 C ATOM 793 C HIS A 103 2.211 13.839 5.512 1.00 0.00 C ATOM 794 O HIS A 103 1.550 14.828 5.821 1.00 0.00 O ATOM 795 CB HIS A 103 0.631 12.445 4.225 1.00 0.00 C ATOM 796 CG HIS A 103 0.184 11.962 2.875 1.00 0.00 C ATOM 797 ND1 HIS A 103 -1.023 11.337 2.682 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.726 12.143 1.649 1.00 0.00 C ATOM 799 CE1 HIS A 103 -1.201 11.153 1.386 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.154 11.627 0.737 1.00 0.00 N ATOM 0 H HIS A 103 2.951 11.314 4.454 1.00 0.00 H new ATOM 0 HA HIS A 103 1.990 13.834 3.352 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.677 11.598 4.909 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.114 13.135 4.622 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -1.674 11.061 3.417 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.676 12.608 1.431 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.064 10.690 0.931 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.023 11.611 -0.274 1.00 0.00 H new ATOM 809 N GLU A 104 3.160 13.326 6.325 1.00 0.00 N ATOM 810 CA GLU A 104 3.439 13.934 7.595 1.00 0.00 C ATOM 811 C GLU A 104 4.923 13.860 7.811 1.00 0.00 C ATOM 812 O GLU A 104 5.399 13.869 8.946 1.00 0.00 O ATOM 813 CB GLU A 104 2.779 13.212 8.783 1.00 0.00 C ATOM 814 CG GLU A 104 1.260 13.043 8.645 1.00 0.00 C ATOM 815 CD GLU A 104 0.977 11.772 7.849 1.00 0.00 C ATOM 816 OE1 GLU A 104 1.792 10.805 7.894 1.00 0.00 O ATOM 817 OE2 GLU A 104 -0.101 11.708 7.198 1.00 0.00 O ATOM 0 H GLU A 104 3.725 12.505 6.108 1.00 0.00 H new ATOM 0 HA GLU A 104 3.045 14.950 7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.235 12.228 8.896 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.991 13.768 9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.796 12.983 9.629 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.828 13.908 8.141 1.00 0.00 H new ATOM 824 N HIS A 105 5.702 13.710 6.721 1.00 0.00 N ATOM 825 CA HIS A 105 7.123 13.561 6.869 1.00 0.00 C ATOM 826 C HIS A 105 7.765 14.256 5.712 1.00 0.00 C ATOM 827 O HIS A 105 7.096 14.901 4.908 1.00 0.00 O ATOM 828 CB HIS A 105 7.624 12.100 6.889 1.00 0.00 C ATOM 829 CG HIS A 105 6.527 11.083 7.011 1.00 0.00 C ATOM 830 ND1 HIS A 105 5.724 10.992 8.116 1.00 0.00 N ATOM 831 CD2 HIS A 105 6.112 10.141 6.144 1.00 0.00 C ATOM 832 CE1 HIS A 105 4.785 10.089 7.874 1.00 0.00 C ATOM 833 NE2 HIS A 105 4.994 9.564 6.676 1.00 0.00 N ATOM 0 H HIS A 105 5.361 13.692 5.760 1.00 0.00 H new ATOM 0 HA HIS A 105 7.387 13.984 7.838 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.186 11.906 5.975 1.00 0.00 H new ATOM 0 HB3 HIS A 105 8.316 11.975 7.721 1.00 0.00 H new ATOM 0 HD1 HIS A 105 5.830 11.527 8.978 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.577 9.888 5.202 1.00 0.00 H new ATOM 0 HE1 HIS A 105 3.981 9.824 8.544 1.00 0.00 H new ATOM 842 N LYS A 106 9.104 14.142 5.614 1.00 0.00 N ATOM 843 CA LYS A 106 9.799 14.665 4.480 1.00 0.00 C ATOM 844 C LYS A 106 11.072 13.891 4.358 1.00 0.00 C ATOM 845 O LYS A 106 11.906 13.899 5.262 1.00 0.00 O ATOM 846 CB LYS A 106 10.139 16.148 4.620 1.00 0.00 C ATOM 847 CG LYS A 106 10.879 16.716 3.407 1.00 0.00 C ATOM 848 CD LYS A 106 10.551 18.185 3.123 1.00 0.00 C ATOM 849 CE LYS A 106 10.798 18.591 1.669 1.00 0.00 C ATOM 850 NZ LYS A 106 10.406 19.984 1.466 1.00 0.00 N ATOM 0 H LYS A 106 9.698 13.693 6.312 1.00 0.00 H new ATOM 0 HA LYS A 106 9.158 14.570 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 106 9.219 16.712 4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 106 10.751 16.291 5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 106 11.953 16.616 3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 106 10.631 16.120 2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.506 18.371 3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.152 18.817 3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 106 11.851 18.461 1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.230 17.944 1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.577 20.252 0.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.396 20.096 1.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.966 20.597 2.092 1.00 0.00 H new ATOM 864 N GLY A 107 11.208 13.139 3.250 1.00 0.00 N ATOM 865 CA GLY A 107 12.420 12.408 2.996 1.00 0.00 C ATOM 866 C GLY A 107 12.319 11.085 3.698 1.00 0.00 C ATOM 867 O GLY A 107 13.319 10.395 3.876 1.00 0.00 O ATOM 0 H GLY A 107 10.489 13.035 2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 107 12.559 12.261 1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.284 12.966 3.357 1.00 0.00 H new ATOM 871 N LYS A 108 11.090 10.684 4.076 1.00 0.00 N ATOM 872 CA LYS A 108 10.908 9.465 4.794 1.00 0.00 C ATOM 873 C LYS A 108 9.504 9.045 4.557 1.00 0.00 C ATOM 874 O LYS A 108 8.597 9.872 4.500 1.00 0.00 O ATOM 875 CB LYS A 108 11.097 9.620 6.301 1.00 0.00 C ATOM 876 CG LYS A 108 12.565 9.747 6.705 1.00 0.00 C ATOM 877 CD LYS A 108 12.900 9.026 8.013 1.00 0.00 C ATOM 878 CE LYS A 108 12.275 9.676 9.251 1.00 0.00 C ATOM 879 NZ LYS A 108 12.869 10.990 9.480 1.00 0.00 N ATOM 0 H LYS A 108 10.231 11.201 3.885 1.00 0.00 H new ATOM 0 HA LYS A 108 11.650 8.746 4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.554 10.502 6.642 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.659 8.760 6.808 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.190 9.346 5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.816 10.803 6.806 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.560 7.993 7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.983 8.998 8.135 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.198 9.774 9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.431 9.041 10.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.609 11.328 10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.904 10.920 9.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.518 11.659 8.766 1.00 0.00 H new ATOM 893 N LYS A 109 9.311 7.733 4.368 1.00 0.00 N ATOM 894 CA LYS A 109 8.000 7.199 4.206 1.00 0.00 C ATOM 895 C LYS A 109 7.678 6.498 5.484 1.00 0.00 C ATOM 896 O LYS A 109 8.564 5.979 6.162 1.00 0.00 O ATOM 897 CB LYS A 109 7.989 6.190 3.052 1.00 0.00 C ATOM 898 CG LYS A 109 7.705 6.793 1.679 1.00 0.00 C ATOM 899 CD LYS A 109 7.130 5.770 0.703 1.00 0.00 C ATOM 900 CE LYS A 109 8.044 4.558 0.494 1.00 0.00 C ATOM 901 NZ LYS A 109 9.215 4.945 -0.287 1.00 0.00 N ATOM 0 H LYS A 109 10.061 7.042 4.327 1.00 0.00 H new ATOM 0 HA LYS A 109 7.275 7.981 3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.955 5.686 3.019 1.00 0.00 H new ATOM 0 HB3 LYS A 109 7.238 5.428 3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.005 7.622 1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.627 7.205 1.268 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.163 5.429 1.072 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.952 6.253 -0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.356 4.157 1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.500 3.766 -0.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.760 4.096 -0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 8.909 5.431 -1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.812 5.584 0.276 1.00 0.00 H new ATOM 915 N ALA A 110 6.389 6.503 5.858 1.00 0.00 N ATOM 916 CA ALA A 110 5.989 5.902 7.100 1.00 0.00 C ATOM 917 C ALA A 110 5.712 4.469 6.815 1.00 0.00 C ATOM 918 O ALA A 110 4.857 4.139 5.996 1.00 0.00 O ATOM 919 CB ALA A 110 4.769 6.491 7.811 1.00 0.00 C ATOM 0 H ALA A 110 5.630 6.915 5.315 1.00 0.00 H new ATOM 0 HA ALA A 110 6.812 6.089 7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.584 5.940 8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.956 7.539 8.046 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.897 6.415 7.161 1.00 0.00 H new ATOM 925 N ARG A 111 6.472 3.569 7.466 1.00 0.00 N ATOM 926 CA ARG A 111 6.462 2.205 7.059 1.00 0.00 C ATOM 927 C ARG A 111 5.402 1.525 7.840 1.00 0.00 C ATOM 928 O ARG A 111 5.144 1.862 8.995 1.00 0.00 O ATOM 929 CB ARG A 111 7.809 1.550 7.326 1.00 0.00 C ATOM 930 CG ARG A 111 7.878 0.087 6.899 1.00 0.00 C ATOM 931 CD ARG A 111 7.930 -0.857 8.094 1.00 0.00 C ATOM 932 NE ARG A 111 7.405 -2.184 7.655 1.00 0.00 N ATOM 933 CZ ARG A 111 8.157 -3.012 6.876 1.00 0.00 C ATOM 934 NH1 ARG A 111 9.451 -2.736 6.609 1.00 0.00 N ATOM 935 NH2 ARG A 111 7.637 -4.178 6.435 1.00 0.00 N ATOM 0 H ARG A 111 7.080 3.783 8.257 1.00 0.00 H new ATOM 0 HA ARG A 111 6.270 2.130 5.989 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.584 2.109 6.802 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.031 1.619 8.391 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.009 -0.153 6.286 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.760 -0.067 6.277 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.952 -0.953 8.460 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.333 -0.464 8.917 1.00 0.00 H new ATOM 0 HE ARG A 111 6.470 -2.475 7.942 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.883 -1.895 6.992 1.00 0.00 H new ATOM 0 HH12 ARG A 111 9.997 -3.368 6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.683 -4.438 6.685 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.198 -4.799 5.852 1.00 0.00 H new ATOM 949 N LEU A 112 4.762 0.541 7.197 1.00 0.00 N ATOM 950 CA LEU A 112 3.515 0.049 7.690 1.00 0.00 C ATOM 951 C LEU A 112 3.629 -1.429 7.840 1.00 0.00 C ATOM 952 O LEU A 112 4.712 -2.008 7.763 1.00 0.00 O ATOM 953 CB LEU A 112 2.368 0.306 6.715 1.00 0.00 C ATOM 954 CG LEU A 112 2.224 1.768 6.301 1.00 0.00 C ATOM 955 CD1 LEU A 112 1.217 1.969 5.170 1.00 0.00 C ATOM 956 CD2 LEU A 112 1.844 2.700 7.457 1.00 0.00 C ATOM 0 H LEU A 112 5.099 0.089 6.347 1.00 0.00 H new ATOM 0 HA LEU A 112 3.304 0.559 8.630 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.520 -0.301 5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.435 -0.026 7.171 1.00 0.00 H new ATOM 0 HG LEU A 112 3.221 2.036 5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.158 3.028 4.919 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.537 1.406 4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.236 1.616 5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.760 3.722 7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.889 2.386 7.878 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.613 2.655 8.228 1.00 0.00 H new ATOM 968 N ASP A 113 2.458 -2.070 8.000 1.00 0.00 N ATOM 969 CA ASP A 113 2.398 -3.484 8.221 1.00 0.00 C ATOM 970 C ASP A 113 1.838 -4.107 6.976 1.00 0.00 C ATOM 971 O ASP A 113 1.480 -3.416 6.029 1.00 0.00 O ATOM 972 CB ASP A 113 1.510 -3.839 9.430 1.00 0.00 C ATOM 973 CG ASP A 113 1.758 -5.293 9.808 1.00 0.00 C ATOM 974 OD1 ASP A 113 2.906 -5.612 10.210 1.00 0.00 O ATOM 975 OD2 ASP A 113 0.818 -6.113 9.622 1.00 0.00 O ATOM 0 H ASP A 113 1.549 -1.609 7.976 1.00 0.00 H new ATOM 0 HA ASP A 113 3.397 -3.860 8.441 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.739 -3.185 10.272 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.459 -3.686 9.185 1.00 0.00 H new ATOM 980 N TRP A 114 1.821 -5.456 6.936 1.00 0.00 N ATOM 981 CA TRP A 114 1.325 -6.159 5.806 1.00 0.00 C ATOM 982 C TRP A 114 -0.110 -6.526 6.076 1.00 0.00 C ATOM 983 O TRP A 114 -0.804 -7.066 5.215 1.00 0.00 O ATOM 984 CB TRP A 114 2.185 -7.435 5.623 1.00 0.00 C ATOM 985 CG TRP A 114 3.163 -7.346 4.473 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.463 -7.736 4.336 1.00 0.00 C ATOM 987 CD2 TRP A 114 2.801 -6.725 3.252 1.00 0.00 C ATOM 988 NE1 TRP A 114 4.940 -7.341 3.095 1.00 0.00 N ATOM 989 CE2 TRP A 114 3.920 -6.700 2.417 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.587 -6.270 2.913 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.757 -6.119 1.168 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.433 -5.739 1.660 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.486 -5.709 0.777 1.00 0.00 C ATOM 0 H TRP A 114 2.154 -6.054 7.693 1.00 0.00 H new ATOM 0 HA TRP A 114 1.377 -5.554 4.901 1.00 0.00 H new ATOM 0 HB2 TRP A 114 2.736 -7.627 6.544 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.525 -8.288 5.463 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.034 -8.271 5.081 1.00 0.00 H new ATOM 0 HE1 TRP A 114 5.884 -7.497 2.742 1.00 0.00 H new ATOM 0 HE3 TRP A 114 0.759 -6.320 3.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.603 -5.987 0.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.475 -5.340 1.363 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.325 -5.363 -0.233 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.630 -6.122 7.249 1.00 0.00 N ATOM 1005 CA ASN A 115 -2.033 -6.258 7.519 1.00 0.00 C ATOM 1006 C ASN A 115 -2.487 -4.926 8.017 1.00 0.00 C ATOM 1007 O ASN A 115 -3.301 -4.824 8.934 1.00 0.00 O ATOM 1008 CB ASN A 115 -2.262 -7.259 8.657 1.00 0.00 C ATOM 1009 CG ASN A 115 -3.435 -8.155 8.281 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -3.488 -8.708 7.180 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -4.448 -8.252 9.181 1.00 0.00 N ATOM 0 H ASN A 115 -0.088 -5.705 8.006 1.00 0.00 H new ATOM 0 HA ASN A 115 -2.560 -6.594 6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -1.366 -7.857 8.822 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -2.470 -6.733 9.589 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -5.282 -8.794 8.954 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.375 -7.783 10.084 1.00 0.00 H new ATOM 1018 N THR A 116 -1.978 -3.851 7.388 1.00 0.00 N ATOM 1019 CA THR A 116 -1.921 -2.583 8.058 1.00 0.00 C ATOM 1020 C THR A 116 -3.285 -1.934 8.029 1.00 0.00 C ATOM 1021 O THR A 116 -3.470 -0.887 8.642 1.00 0.00 O ATOM 1022 CB THR A 116 -0.783 -1.650 7.608 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.107 -1.126 8.743 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.224 -0.441 6.778 1.00 0.00 C ATOM 0 H THR A 116 -1.612 -3.854 6.436 1.00 0.00 H new ATOM 0 HA THR A 116 -1.651 -2.786 9.094 1.00 0.00 H new ATOM 0 HB THR A 116 -0.153 -2.280 6.981 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.761 -0.747 9.367 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.351 0.154 6.510 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.722 -0.784 5.871 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.914 0.169 7.362 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.228 -2.518 7.254 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.580 -2.031 7.199 1.00 0.00 C ATOM 1034 C ASP A 117 -5.575 -0.793 6.358 1.00 0.00 C ATOM 1035 O ASP A 117 -5.627 0.307 6.892 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.178 -1.772 8.588 1.00 0.00 C ATOM 1037 CG ASP A 117 -7.651 -1.423 8.429 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -8.403 -2.279 7.896 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -8.034 -0.285 8.815 1.00 0.00 O ATOM 0 H ASP A 117 -4.052 -3.331 6.663 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.222 -2.793 6.757 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.065 -2.654 9.218 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.648 -0.957 9.081 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.712 -0.983 5.024 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.650 0.107 4.084 1.00 0.00 C ATOM 1046 C ALA A 118 -6.880 0.945 4.258 1.00 0.00 C ATOM 1047 O ALA A 118 -6.937 2.079 3.796 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.744 -0.602 2.714 1.00 0.00 C ATOM 0 H ALA A 118 -5.866 -1.896 4.595 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.766 0.734 4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.706 0.140 1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.910 -1.295 2.605 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.683 -1.152 2.653 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.848 0.435 5.043 1.00 0.00 N ATOM 1055 CA ALA A 119 -9.071 1.142 5.286 1.00 0.00 C ATOM 1056 C ALA A 119 -8.811 2.175 6.344 1.00 0.00 C ATOM 1057 O ALA A 119 -9.633 3.058 6.579 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.869 -0.012 5.921 1.00 0.00 C ATOM 0 H ALA A 119 -7.784 -0.469 5.511 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.529 1.642 4.432 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.867 0.338 6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.950 -0.833 5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.356 -0.359 6.818 1.00 0.00 H new ATOM 1064 N SER A 120 -7.625 2.118 6.985 1.00 0.00 N ATOM 1065 CA SER A 120 -7.285 3.097 7.977 1.00 0.00 C ATOM 1066 C SER A 120 -6.409 4.119 7.313 1.00 0.00 C ATOM 1067 O SER A 120 -6.229 5.224 7.818 1.00 0.00 O ATOM 1068 CB SER A 120 -6.524 2.510 9.175 1.00 0.00 C ATOM 1069 OG SER A 120 -7.418 1.800 10.021 1.00 0.00 O ATOM 0 H SER A 120 -6.912 1.407 6.820 1.00 0.00 H new ATOM 0 HA SER A 120 -8.211 3.519 8.366 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.736 1.843 8.824 1.00 0.00 H new ATOM 0 HB3 SER A 120 -6.039 3.310 9.735 1.00 0.00 H new ATOM 0 HG SER A 120 -7.430 0.854 9.764 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.832 3.751 6.150 1.00 0.00 N ATOM 1076 CA LEU A 121 -5.008 4.664 5.405 1.00 0.00 C ATOM 1077 C LEU A 121 -5.828 5.119 4.262 1.00 0.00 C ATOM 1078 O LEU A 121 -5.312 5.633 3.273 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.760 3.994 4.819 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.951 3.212 5.854 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -3.026 3.833 7.252 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.428 1.770 5.997 1.00 0.00 C ATOM 0 H LEU A 121 -5.934 2.829 5.727 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.680 5.462 6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.061 3.319 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.123 4.757 4.371 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.929 3.244 5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.434 3.238 7.947 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.634 4.850 7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.064 3.854 7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.821 1.258 6.744 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.472 1.761 6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.332 1.258 5.039 1.00 0.00 H new ATOM 1094 N ILE A 122 -7.140 4.876 4.379 1.00 0.00 N ATOM 1095 CA ILE A 122 -8.046 5.138 3.300 1.00 0.00 C ATOM 1096 C ILE A 122 -8.048 6.612 3.035 1.00 0.00 C ATOM 1097 O ILE A 122 -8.085 7.435 3.950 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.469 4.618 3.547 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -10.134 4.032 2.300 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.428 5.634 4.193 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.731 2.587 1.992 1.00 0.00 C ATOM 0 H ILE A 122 -7.579 4.498 5.219 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.695 4.589 2.426 1.00 0.00 H new ATOM 0 HB ILE A 122 -9.299 3.819 4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -11.216 4.077 2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.886 4.657 1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.407 5.175 4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -10.035 5.940 5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.522 6.507 3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -10.247 2.249 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.654 2.536 1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -10.005 1.946 2.830 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.959 6.955 1.741 1.00 0.00 N ATOM 1114 CA GLY A 123 -8.002 8.328 1.322 1.00 0.00 C ATOM 1115 C GLY A 123 -6.615 8.891 1.442 1.00 0.00 C ATOM 1116 O GLY A 123 -6.438 10.058 1.780 1.00 0.00 O ATOM 0 H GLY A 123 -7.857 6.284 0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.356 8.402 0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.698 8.894 1.941 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.588 8.068 1.147 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.236 8.526 1.269 1.00 0.00 C ATOM 1122 C GLU A 124 -3.491 8.024 0.069 1.00 0.00 C ATOM 1123 O GLU A 124 -4.075 7.469 -0.864 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.524 7.960 2.509 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.270 8.220 3.824 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.636 9.420 4.517 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -3.194 10.372 3.815 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -3.470 9.358 5.765 1.00 0.00 O ATOM 0 H GLU A 124 -5.690 7.104 0.830 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.253 9.613 1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.394 6.885 2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.527 8.396 2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.325 8.411 3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -4.219 7.342 4.467 1.00 0.00 H new ATOM 1135 N GLU A 125 -2.155 8.180 0.097 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.319 7.582 -0.903 1.00 0.00 C ATOM 1137 C GLU A 125 -0.471 6.581 -0.207 1.00 0.00 C ATOM 1138 O GLU A 125 -0.070 6.786 0.939 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.366 8.564 -1.600 1.00 0.00 C ATOM 1140 CG GLU A 125 -1.026 9.329 -2.749 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.392 10.713 -2.836 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.343 11.418 -1.790 1.00 0.00 O ATOM 1143 OE2 GLU A 125 0.071 11.079 -3.948 1.00 0.00 O ATOM 0 H GLU A 125 -1.654 8.716 0.806 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.975 7.170 -1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 125 0.012 9.277 -0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.494 8.015 -1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.893 8.792 -3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.099 9.414 -2.580 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.149 5.486 -0.918 1.00 0.00 N ATOM 1151 CA LEU A 126 0.730 4.500 -0.372 1.00 0.00 C ATOM 1152 C LEU A 126 1.726 4.136 -1.420 1.00 0.00 C ATOM 1153 O LEU A 126 1.511 4.341 -2.610 1.00 0.00 O ATOM 1154 CB LEU A 126 0.021 3.232 0.101 1.00 0.00 C ATOM 1155 CG LEU A 126 -0.434 3.313 1.557 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -1.865 3.791 1.728 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.119 2.053 2.362 1.00 0.00 C ATOM 0 H LEU A 126 -0.491 5.285 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 126 1.198 4.937 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.845 3.047 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.692 2.381 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 126 0.179 4.100 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.114 3.822 2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.969 4.789 1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.541 3.106 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.469 2.179 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.620 1.197 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.958 1.883 2.365 1.00 0.00 H new ATOM 1169 N GLN A 127 2.871 3.600 -0.964 1.00 0.00 N ATOM 1170 CA GLN A 127 3.932 3.246 -1.860 1.00 0.00 C ATOM 1171 C GLN A 127 4.479 1.946 -1.376 1.00 0.00 C ATOM 1172 O GLN A 127 4.329 1.599 -0.207 1.00 0.00 O ATOM 1173 CB GLN A 127 5.087 4.267 -1.856 1.00 0.00 C ATOM 1174 CG GLN A 127 5.897 4.300 -3.163 1.00 0.00 C ATOM 1175 CD GLN A 127 7.369 4.491 -2.819 1.00 0.00 C ATOM 1176 OE1 GLN A 127 7.817 5.606 -2.547 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.160 3.390 -2.876 1.00 0.00 N ATOM 0 H GLN A 127 3.064 3.411 0.020 1.00 0.00 H new ATOM 0 HA GLN A 127 3.532 3.206 -2.873 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.680 5.260 -1.668 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.759 4.036 -1.030 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.756 3.373 -3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.550 5.111 -3.803 1.00 0.00 H new ATOM 0 HE21 GLN A 127 7.755 2.482 -3.104 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.160 3.470 -2.690 1.00 0.00 H new ATOM 1186 N VAL A 128 5.125 1.192 -2.278 1.00 0.00 N ATOM 1187 CA VAL A 128 5.764 -0.027 -1.881 1.00 0.00 C ATOM 1188 C VAL A 128 7.213 0.122 -2.211 1.00 0.00 C ATOM 1189 O VAL A 128 7.574 0.789 -3.178 1.00 0.00 O ATOM 1190 CB VAL A 128 5.178 -1.272 -2.566 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.049 -2.525 -2.428 1.00 0.00 C ATOM 1192 CG2 VAL A 128 3.812 -1.682 -2.007 1.00 0.00 C ATOM 0 H VAL A 128 5.207 1.418 -3.269 1.00 0.00 H new ATOM 0 HA VAL A 128 5.603 -0.186 -0.815 1.00 0.00 H new ATOM 0 HB VAL A 128 5.111 -0.954 -3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.568 -3.360 -2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.025 -2.340 -2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.174 -2.767 -1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.454 -2.567 -2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 128 3.906 -1.905 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.103 -0.866 -2.145 1.00 0.00 H new ATOM 1202 N ASP A 129 8.081 -0.470 -1.370 1.00 0.00 N ATOM 1203 CA ASP A 129 9.495 -0.316 -1.546 1.00 0.00 C ATOM 1204 C ASP A 129 10.122 -1.631 -1.192 1.00 0.00 C ATOM 1205 O ASP A 129 9.450 -2.658 -1.146 1.00 0.00 O ATOM 1206 CB ASP A 129 10.057 0.777 -0.614 1.00 0.00 C ATOM 1207 CG ASP A 129 10.891 1.735 -1.450 1.00 0.00 C ATOM 1208 OD1 ASP A 129 11.867 1.261 -2.088 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.546 2.949 -1.470 1.00 0.00 O ATOM 0 H ASP A 129 7.809 -1.050 -0.576 1.00 0.00 H new ATOM 0 HA ASP A 129 9.712 -0.022 -2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.244 1.311 -0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.666 0.330 0.172 1.00 0.00 H new ATOM 1214 N PHE A 130 11.437 -1.617 -0.891 1.00 0.00 N ATOM 1215 CA PHE A 130 12.117 -2.820 -0.499 1.00 0.00 C ATOM 1216 C PHE A 130 11.620 -3.202 0.871 1.00 0.00 C ATOM 1217 O PHE A 130 10.946 -2.424 1.540 1.00 0.00 O ATOM 1218 CB PHE A 130 13.654 -2.684 -0.472 1.00 0.00 C ATOM 1219 CG PHE A 130 13.992 -1.248 -0.231 1.00 0.00 C ATOM 1220 CD1 PHE A 130 13.805 -0.666 1.013 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.524 -0.454 -1.254 1.00 0.00 C ATOM 1222 CE1 PHE A 130 14.105 0.670 1.228 1.00 0.00 C ATOM 1223 CE2 PHE A 130 14.838 0.875 -1.033 1.00 0.00 C ATOM 1224 CZ PHE A 130 14.625 1.439 0.209 1.00 0.00 C ATOM 0 H PHE A 130 12.024 -0.784 -0.918 1.00 0.00 H new ATOM 0 HA PHE A 130 11.898 -3.585 -1.244 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.077 -3.311 0.313 1.00 0.00 H new ATOM 0 HB3 PHE A 130 14.082 -3.022 -1.416 1.00 0.00 H new ATOM 0 HD1 PHE A 130 13.420 -1.262 1.827 1.00 0.00 H new ATOM 0 HD2 PHE A 130 14.692 -0.885 -2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 130 13.931 1.111 2.198 1.00 0.00 H new ATOM 0 HE2 PHE A 130 15.250 1.472 -1.833 1.00 0.00 H new ATOM 0 HZ PHE A 130 14.865 2.478 0.381 1.00 0.00 H new