USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1075 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 126 HIS : no HD1:sc= -4.07! C(o=-12!,f=-10!) USER MOD Set 1.2: A 130 ASN : amide:sc= -7.71! C(o=-12!,f=-22!) USER MOD Set 2.1: A 70 SER OG : rot 9:sc= 1.06 USER MOD Set 2.2: A 81 THR OG1 : rot -92:sc= 1.23 USER MOD Set 3.1: A 27 SER OG : rot 46:sc= -1.09! USER MOD Set 3.2: A 37 ASN : amide:sc= -0.83 K(o=-1.9,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.399 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 170:sc= -1.36 USER MOD Single : A 26 THR OG1 : rot -92:sc= 1.24 USER MOD Single : A 35 MET CE :methyl 152:sc= -1 (180deg=-1.87) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0.0354 K(o=0.035,f=-1.2) USER MOD Single : A 46 HIS : no HD1:sc= -0.0639 X(o=-0.064,f=-0.1) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc=-0.00226 X(o=-0.0023,f=0) USER MOD Single : A 51 SER OG : rot -89:sc= 1.17 USER MOD Single : A 56 SER OG : rot -167:sc= 0.917 USER MOD Single : A 58 CYS SG : rot -14:sc= -1.26 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.74 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -101:sc= 1.47 USER MOD Single : A 75 THR OG1 : rot -73:sc= 1.13 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.471 X(o=-0.47,f=-0.038) USER MOD Single : A 85 LYS NZ :NH3+ -139:sc= -0.0752 (180deg=-1.09) USER MOD Single : A 89 ASN : amide:sc= -0.172 K(o=-0.17,f=-1.8!) USER MOD Single : A 91 THR OG1 : rot 104:sc= 1.2 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.929 USER MOD Single : A 97 HIS : no HD1:sc= -0.65 X(o=-0.65,f=-0.36) USER MOD Single : A 98 SER OG : rot 180:sc= -2.27 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.12) USER MOD Single : A 105 THR OG1 : rot -140:sc= -0.0182 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= -0.969 USER MOD Single : A 118 HIS : no HD1:sc= -0.318 X(o=-0.32,f=-0.0024) USER MOD Single : A 121 MET CE :methyl -131:sc= -0.0349 (180deg=-0.541) USER MOD Single : A 135 GLN : amide:sc= -0.0246 X(o=-0.025,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.519 20.640 -15.188 1.00 0.00 N ATOM 2 CA MET A 1 -3.252 20.051 -14.788 1.00 0.00 C ATOM 3 C MET A 1 -2.925 18.823 -15.640 1.00 0.00 C ATOM 4 O MET A 1 -2.015 18.860 -16.467 1.00 0.00 O ATOM 5 CB MET A 1 -3.318 19.647 -13.314 1.00 0.00 C ATOM 6 CG MET A 1 -2.006 19.973 -12.597 1.00 0.00 C ATOM 7 SD MET A 1 -0.920 18.557 -12.638 1.00 0.00 S ATOM 8 CE MET A 1 0.660 19.374 -12.485 1.00 0.00 C ATOM 0 H1 MET A 1 -4.718 21.471 -14.595 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.467 20.930 -16.185 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.280 19.941 -15.070 1.00 0.00 H new ATOM 0 HA MET A 1 -2.466 20.792 -14.935 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.142 20.168 -12.827 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.525 18.580 -13.235 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.523 20.826 -13.074 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.207 20.258 -11.564 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.457 18.630 -12.493 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.797 20.061 -13.320 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.693 19.930 -11.548 1.00 0.00 H new ATOM 18 N THR A 2 -3.686 17.763 -15.410 1.00 0.00 N ATOM 19 CA THR A 2 -3.489 16.526 -16.146 1.00 0.00 C ATOM 20 C THR A 2 -4.454 15.449 -15.646 1.00 0.00 C ATOM 21 O THR A 2 -5.010 15.566 -14.555 1.00 0.00 O ATOM 22 CB THR A 2 -2.017 16.129 -16.017 1.00 0.00 C ATOM 23 OG1 THR A 2 -1.986 14.768 -16.439 1.00 0.00 O ATOM 24 CG2 THR A 2 -1.548 16.079 -14.562 1.00 0.00 C ATOM 0 H THR A 2 -4.440 17.735 -14.724 1.00 0.00 H new ATOM 0 HA THR A 2 -3.715 16.655 -17.205 1.00 0.00 H new ATOM 0 HB THR A 2 -1.401 16.837 -16.572 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.067 14.431 -16.388 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.497 15.792 -14.528 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.671 17.061 -14.106 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.141 15.348 -14.013 1.00 0.00 H new ATOM 32 N ARG A 3 -4.624 14.424 -16.469 1.00 0.00 N ATOM 33 CA ARG A 3 -5.513 13.327 -16.125 1.00 0.00 C ATOM 34 C ARG A 3 -5.318 12.926 -14.662 1.00 0.00 C ATOM 35 O ARG A 3 -4.341 13.325 -14.029 1.00 0.00 O ATOM 36 CB ARG A 3 -5.259 12.112 -17.019 1.00 0.00 C ATOM 37 CG ARG A 3 -5.653 12.404 -18.468 1.00 0.00 C ATOM 38 CD ARG A 3 -4.414 12.583 -19.348 1.00 0.00 C ATOM 39 NE ARG A 3 -4.804 12.583 -20.776 1.00 0.00 N ATOM 40 CZ ARG A 3 -3.980 12.917 -21.779 1.00 0.00 C ATOM 41 NH1 ARG A 3 -2.717 13.279 -21.517 1.00 0.00 N ATOM 42 NH2 ARG A 3 -4.420 12.889 -23.044 1.00 0.00 N ATOM 0 H ARG A 3 -4.161 14.330 -17.373 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.537 13.668 -16.278 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.205 11.837 -16.974 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.827 11.259 -16.649 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.263 11.587 -18.854 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.265 13.305 -18.508 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.913 13.519 -19.099 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.703 11.780 -19.157 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.759 12.312 -21.011 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.382 13.301 -20.554 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.090 13.533 -22.281 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.382 12.614 -23.243 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.793 13.143 -23.808 1.00 0.00 H new ATOM 56 N LEU A 4 -6.263 12.140 -14.166 1.00 0.00 N ATOM 57 CA LEU A 4 -6.207 11.680 -12.789 1.00 0.00 C ATOM 58 C LEU A 4 -4.780 11.237 -12.461 1.00 0.00 C ATOM 59 O LEU A 4 -4.279 10.270 -13.033 1.00 0.00 O ATOM 60 CB LEU A 4 -7.259 10.596 -12.544 1.00 0.00 C ATOM 61 CG LEU A 4 -8.715 11.065 -12.532 1.00 0.00 C ATOM 62 CD1 LEU A 4 -9.667 9.907 -12.837 1.00 0.00 C ATOM 63 CD2 LEU A 4 -9.058 11.756 -11.211 1.00 0.00 C ATOM 0 H LEU A 4 -7.071 11.810 -14.693 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.454 12.492 -12.105 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.151 9.832 -13.314 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.044 10.118 -11.588 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.842 11.803 -13.324 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.695 10.268 -12.822 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.440 9.499 -13.822 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.545 9.128 -12.085 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.099 12.080 -11.229 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.909 11.059 -10.386 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.411 12.623 -11.075 1.00 0.00 H new ATOM 75 N PRO A 5 -4.149 11.986 -11.517 1.00 0.00 N ATOM 76 CA PRO A 5 -2.789 11.681 -11.106 1.00 0.00 C ATOM 77 C PRO A 5 -2.753 10.448 -10.201 1.00 0.00 C ATOM 78 O PRO A 5 -3.741 10.130 -9.540 1.00 0.00 O ATOM 79 CB PRO A 5 -2.295 12.940 -10.413 1.00 0.00 C ATOM 80 CG PRO A 5 -3.541 13.732 -10.051 1.00 0.00 C ATOM 81 CD PRO A 5 -4.711 13.139 -10.819 1.00 0.00 C ATOM 0 HA PRO A 5 -2.144 11.426 -11.946 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.716 12.694 -9.523 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.642 13.516 -11.069 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -3.725 13.684 -8.978 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.412 14.784 -10.305 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.516 12.842 -10.147 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -5.131 13.860 -11.520 1.00 0.00 H new ATOM 89 N ASP A 6 -1.605 9.786 -10.201 1.00 0.00 N ATOM 90 CA ASP A 6 -1.428 8.595 -9.388 1.00 0.00 C ATOM 91 C ASP A 6 -1.657 8.948 -7.917 1.00 0.00 C ATOM 92 O ASP A 6 -1.326 10.049 -7.480 1.00 0.00 O ATOM 93 CB ASP A 6 -0.009 8.040 -9.526 1.00 0.00 C ATOM 94 CG ASP A 6 0.614 8.195 -10.915 1.00 0.00 C ATOM 95 OD1 ASP A 6 0.023 7.639 -11.866 1.00 0.00 O ATOM 96 OD2 ASP A 6 1.666 8.864 -10.994 1.00 0.00 O ATOM 0 H ASP A 6 -0.788 10.052 -10.751 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.143 7.846 -9.728 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.632 8.539 -8.799 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.022 6.981 -9.266 1.00 0.00 H new ATOM 101 N ILE A 7 -2.222 7.992 -7.193 1.00 0.00 N ATOM 102 CA ILE A 7 -2.499 8.188 -5.781 1.00 0.00 C ATOM 103 C ILE A 7 -1.185 8.154 -4.998 1.00 0.00 C ATOM 104 O ILE A 7 -0.909 7.193 -4.282 1.00 0.00 O ATOM 105 CB ILE A 7 -3.533 7.172 -5.291 1.00 0.00 C ATOM 106 CG1 ILE A 7 -4.932 7.525 -5.800 1.00 0.00 C ATOM 107 CG2 ILE A 7 -3.493 7.040 -3.768 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.943 6.440 -5.420 1.00 0.00 C ATOM 0 H ILE A 7 -2.495 7.080 -7.559 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.945 9.168 -5.613 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.277 6.197 -5.705 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.245 8.481 -5.381 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.910 7.643 -6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.238 6.312 -3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.502 6.708 -3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.710 8.006 -3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.929 6.715 -5.793 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.640 5.490 -5.860 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.980 6.341 -4.335 1.00 0.00 H new ATOM 120 N LYS A 8 -0.409 9.216 -5.161 1.00 0.00 N ATOM 121 CA LYS A 8 0.870 9.319 -4.478 1.00 0.00 C ATOM 122 C LYS A 8 0.659 9.957 -3.104 1.00 0.00 C ATOM 123 O LYS A 8 0.114 11.055 -3.002 1.00 0.00 O ATOM 124 CB LYS A 8 1.885 10.061 -5.351 1.00 0.00 C ATOM 125 CG LYS A 8 3.138 10.420 -4.551 1.00 0.00 C ATOM 126 CD LYS A 8 4.174 11.114 -5.437 1.00 0.00 C ATOM 127 CE LYS A 8 5.456 10.284 -5.532 1.00 0.00 C ATOM 128 NZ LYS A 8 6.467 10.985 -6.356 1.00 0.00 N ATOM 0 H LYS A 8 -0.641 10.012 -5.755 1.00 0.00 H new ATOM 0 HA LYS A 8 1.293 8.329 -4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.159 9.440 -6.204 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.432 10.968 -5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.869 11.073 -3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.570 9.517 -4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.761 11.268 -6.434 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.403 12.099 -5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.854 10.103 -4.534 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.234 9.310 -5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.331 10.408 -6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.090 11.136 -7.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.691 11.904 -5.923 1.00 0.00 H new ATOM 142 N LYS A 9 1.103 9.242 -2.081 1.00 0.00 N ATOM 143 CA LYS A 9 0.969 9.725 -0.717 1.00 0.00 C ATOM 144 C LYS A 9 2.265 9.446 0.047 1.00 0.00 C ATOM 145 O LYS A 9 3.105 8.671 -0.409 1.00 0.00 O ATOM 146 CB LYS A 9 -0.274 9.127 -0.056 1.00 0.00 C ATOM 147 CG LYS A 9 -1.549 9.602 -0.757 1.00 0.00 C ATOM 148 CD LYS A 9 -1.901 11.033 -0.346 1.00 0.00 C ATOM 149 CE LYS A 9 -3.378 11.332 -0.610 1.00 0.00 C ATOM 150 NZ LYS A 9 -3.842 12.448 0.244 1.00 0.00 N ATOM 0 H LYS A 9 1.556 8.332 -2.169 1.00 0.00 H new ATOM 0 HA LYS A 9 0.818 10.804 -0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.220 8.039 -0.089 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.305 9.413 0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.414 9.553 -1.837 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.375 8.935 -0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.681 11.176 0.712 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.279 11.737 -0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.522 11.586 -1.660 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.976 10.442 -0.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.846 12.638 0.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.723 12.192 1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.283 13.300 0.036 1.00 0.00 H new ATOM 164 N GLU A 10 2.388 10.093 1.197 1.00 0.00 N ATOM 165 CA GLU A 10 3.568 9.924 2.028 1.00 0.00 C ATOM 166 C GLU A 10 3.205 10.095 3.505 1.00 0.00 C ATOM 167 O GLU A 10 2.332 10.891 3.846 1.00 0.00 O ATOM 168 CB GLU A 10 4.671 10.901 1.619 1.00 0.00 C ATOM 169 CG GLU A 10 6.009 10.514 2.252 1.00 0.00 C ATOM 170 CD GLU A 10 6.343 11.430 3.432 1.00 0.00 C ATOM 171 OE1 GLU A 10 5.398 11.752 4.185 1.00 0.00 O ATOM 172 OE2 GLU A 10 7.534 11.787 3.554 1.00 0.00 O ATOM 0 H GLU A 10 1.690 10.735 1.573 1.00 0.00 H new ATOM 0 HA GLU A 10 3.950 8.914 1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.768 10.912 0.533 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.399 11.911 1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.969 9.479 2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.800 10.575 1.505 1.00 0.00 H new ATOM 179 N VAL A 11 3.894 9.333 4.342 1.00 0.00 N ATOM 180 CA VAL A 11 3.656 9.390 5.774 1.00 0.00 C ATOM 181 C VAL A 11 4.976 9.172 6.516 1.00 0.00 C ATOM 182 O VAL A 11 5.948 8.694 5.933 1.00 0.00 O ATOM 183 CB VAL A 11 2.576 8.378 6.165 1.00 0.00 C ATOM 184 CG1 VAL A 11 1.177 8.950 5.928 1.00 0.00 C ATOM 185 CG2 VAL A 11 2.764 7.058 5.415 1.00 0.00 C ATOM 0 H VAL A 11 4.617 8.673 4.056 1.00 0.00 H new ATOM 0 HA VAL A 11 3.281 10.373 6.060 1.00 0.00 H new ATOM 0 HB VAL A 11 2.678 8.174 7.231 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.429 8.211 6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.046 9.850 6.528 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.059 9.197 4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.984 6.357 5.711 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.702 7.237 4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.740 6.638 5.657 1.00 0.00 H new ATOM 195 N ARG A 12 4.968 9.533 7.791 1.00 0.00 N ATOM 196 CA ARG A 12 6.154 9.384 8.618 1.00 0.00 C ATOM 197 C ARG A 12 5.810 8.631 9.905 1.00 0.00 C ATOM 198 O ARG A 12 4.885 9.008 10.621 1.00 0.00 O ATOM 199 CB ARG A 12 6.751 10.746 8.976 1.00 0.00 C ATOM 200 CG ARG A 12 7.874 10.598 10.005 1.00 0.00 C ATOM 201 CD ARG A 12 8.472 11.961 10.363 1.00 0.00 C ATOM 202 NE ARG A 12 9.784 11.780 11.023 1.00 0.00 N ATOM 203 CZ ARG A 12 10.461 12.764 11.631 1.00 0.00 C ATOM 204 NH1 ARG A 12 9.954 14.004 11.666 1.00 0.00 N ATOM 205 NH2 ARG A 12 11.645 12.508 12.204 1.00 0.00 N ATOM 0 H ARG A 12 4.160 9.928 8.271 1.00 0.00 H new ATOM 0 HA ARG A 12 6.889 8.818 8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.138 11.226 8.077 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.971 11.396 9.374 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.487 10.119 10.904 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.653 9.948 9.607 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.589 12.564 9.463 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.795 12.502 11.024 1.00 0.00 H new ATOM 0 HE ARG A 12 10.199 10.848 11.015 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.053 14.199 11.230 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.469 14.753 12.129 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.031 11.564 12.177 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.160 13.257 12.667 1.00 0.00 H new ATOM 219 N PHE A 13 6.575 7.579 10.160 1.00 0.00 N ATOM 220 CA PHE A 13 6.364 6.770 11.348 1.00 0.00 C ATOM 221 C PHE A 13 7.632 6.709 12.203 1.00 0.00 C ATOM 222 O PHE A 13 8.742 6.773 11.678 1.00 0.00 O ATOM 223 CB PHE A 13 6.016 5.359 10.872 1.00 0.00 C ATOM 224 CG PHE A 13 4.761 5.288 10.000 1.00 0.00 C ATOM 225 CD1 PHE A 13 3.699 6.095 10.270 1.00 0.00 C ATOM 226 CD2 PHE A 13 4.706 4.418 8.956 1.00 0.00 C ATOM 227 CE1 PHE A 13 2.534 6.029 9.461 1.00 0.00 C ATOM 228 CE2 PHE A 13 3.540 4.352 8.148 1.00 0.00 C ATOM 229 CZ PHE A 13 2.479 5.159 8.417 1.00 0.00 C ATOM 0 H PHE A 13 7.342 7.269 9.564 1.00 0.00 H new ATOM 0 HA PHE A 13 5.569 7.202 11.956 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.859 4.958 10.310 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.878 4.717 11.742 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.742 6.785 11.099 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.549 3.778 8.742 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.691 6.670 9.675 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.496 3.661 7.320 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.593 5.109 7.802 1.00 0.00 H new ATOM 239 N ASN A 14 7.424 6.587 13.505 1.00 0.00 N ATOM 240 CA ASN A 14 8.536 6.516 14.438 1.00 0.00 C ATOM 241 C ASN A 14 8.847 5.050 14.744 1.00 0.00 C ATOM 242 O ASN A 14 8.193 4.436 15.587 1.00 0.00 O ATOM 243 CB ASN A 14 8.194 7.213 15.756 1.00 0.00 C ATOM 244 CG ASN A 14 9.128 8.399 16.008 1.00 0.00 C ATOM 245 OD1 ASN A 14 10.273 8.420 15.587 1.00 0.00 O ATOM 246 ND2 ASN A 14 8.578 9.380 16.716 1.00 0.00 N ATOM 0 H ASN A 14 6.501 6.535 13.937 1.00 0.00 H new ATOM 0 HA ASN A 14 9.392 7.011 13.980 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.160 7.558 15.731 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.273 6.502 16.579 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.120 10.215 16.938 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.614 9.298 17.038 1.00 0.00 H new ATOM 253 N ALA A 15 9.845 4.531 14.044 1.00 0.00 N ATOM 254 CA ALA A 15 10.250 3.148 14.231 1.00 0.00 C ATOM 255 C ALA A 15 11.398 2.824 13.274 1.00 0.00 C ATOM 256 O ALA A 15 11.718 3.618 12.390 1.00 0.00 O ATOM 257 CB ALA A 15 9.043 2.230 14.027 1.00 0.00 C ATOM 0 H ALA A 15 10.385 5.043 13.347 1.00 0.00 H new ATOM 0 HA ALA A 15 10.612 2.988 15.246 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.347 1.193 14.167 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.268 2.482 14.751 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.653 2.360 13.017 1.00 0.00 H new ATOM 263 N PRO A 16 12.003 1.625 13.487 1.00 0.00 N ATOM 264 CA PRO A 16 13.109 1.185 12.653 1.00 0.00 C ATOM 265 C PRO A 16 12.613 0.730 11.279 1.00 0.00 C ATOM 266 O PRO A 16 11.681 -0.067 11.184 1.00 0.00 O ATOM 267 CB PRO A 16 13.778 0.072 13.441 1.00 0.00 C ATOM 268 CG PRO A 16 12.754 -0.386 14.467 1.00 0.00 C ATOM 269 CD PRO A 16 11.651 0.658 14.523 1.00 0.00 C ATOM 0 HA PRO A 16 13.818 1.985 12.439 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.069 -0.749 12.786 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.686 0.429 13.928 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.346 -1.358 14.191 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.220 -0.502 15.446 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.674 0.213 14.334 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.601 1.130 15.504 1.00 0.00 H new ATOM 277 N ILE A 17 13.258 1.257 10.248 1.00 0.00 N ATOM 278 CA ILE A 17 12.894 0.914 8.884 1.00 0.00 C ATOM 279 C ILE A 17 12.892 -0.608 8.727 1.00 0.00 C ATOM 280 O ILE A 17 12.206 -1.145 7.860 1.00 0.00 O ATOM 281 CB ILE A 17 13.807 1.634 7.889 1.00 0.00 C ATOM 282 CG1 ILE A 17 13.328 1.420 6.451 1.00 0.00 C ATOM 283 CG2 ILE A 17 15.264 1.209 8.077 1.00 0.00 C ATOM 284 CD1 ILE A 17 13.905 2.486 5.517 1.00 0.00 C ATOM 0 H ILE A 17 14.030 1.919 10.330 1.00 0.00 H new ATOM 0 HA ILE A 17 11.884 1.258 8.662 1.00 0.00 H new ATOM 0 HB ILE A 17 13.755 2.704 8.089 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.627 0.430 6.108 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.239 1.453 6.418 1.00 0.00 H new ATOM 0 HG21 ILE A 17 15.892 1.735 7.358 1.00 0.00 H new ATOM 0 HG22 ILE A 17 15.587 1.454 9.089 1.00 0.00 H new ATOM 0 HG23 ILE A 17 15.353 0.134 7.919 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.549 2.311 4.502 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.584 3.473 5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 17 14.994 2.434 5.534 1.00 0.00 H new ATOM 296 N GLU A 18 13.668 -1.259 9.581 1.00 0.00 N ATOM 297 CA GLU A 18 13.765 -2.708 9.548 1.00 0.00 C ATOM 298 C GLU A 18 12.411 -3.338 9.883 1.00 0.00 C ATOM 299 O GLU A 18 12.031 -4.350 9.295 1.00 0.00 O ATOM 300 CB GLU A 18 14.852 -3.207 10.502 1.00 0.00 C ATOM 301 CG GLU A 18 15.790 -4.190 9.799 1.00 0.00 C ATOM 302 CD GLU A 18 16.446 -5.138 10.806 1.00 0.00 C ATOM 303 OE1 GLU A 18 15.706 -5.639 11.680 1.00 0.00 O ATOM 304 OE2 GLU A 18 17.673 -5.339 10.679 1.00 0.00 O ATOM 0 H GLU A 18 14.235 -0.810 10.300 1.00 0.00 H new ATOM 0 HA GLU A 18 14.046 -3.011 8.539 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.425 -2.361 10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.391 -3.691 11.363 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.232 -4.767 9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 18 16.560 -3.640 9.257 1.00 0.00 H new ATOM 311 N LYS A 19 11.720 -2.714 10.825 1.00 0.00 N ATOM 312 CA LYS A 19 10.417 -3.200 11.245 1.00 0.00 C ATOM 313 C LYS A 19 9.395 -2.928 10.139 1.00 0.00 C ATOM 314 O LYS A 19 8.703 -3.840 9.690 1.00 0.00 O ATOM 315 CB LYS A 19 10.032 -2.602 12.599 1.00 0.00 C ATOM 316 CG LYS A 19 9.063 -3.519 13.348 1.00 0.00 C ATOM 317 CD LYS A 19 8.908 -3.079 14.805 1.00 0.00 C ATOM 318 CE LYS A 19 8.828 -4.289 15.738 1.00 0.00 C ATOM 319 NZ LYS A 19 10.185 -4.744 16.114 1.00 0.00 N ATOM 0 H LYS A 19 12.038 -1.875 11.310 1.00 0.00 H new ATOM 0 HA LYS A 19 10.444 -4.279 11.396 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.928 -2.446 13.200 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.573 -1.625 12.451 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.091 -3.507 12.855 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.426 -4.546 13.311 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.752 -2.450 15.090 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.008 -2.473 14.912 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.264 -4.028 16.634 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.289 -5.099 15.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.113 -5.566 16.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.711 -5.012 15.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.687 -3.974 16.602 1.00 0.00 H new ATOM 333 N VAL A 20 9.333 -1.669 9.732 1.00 0.00 N ATOM 334 CA VAL A 20 8.408 -1.264 8.687 1.00 0.00 C ATOM 335 C VAL A 20 8.731 -2.029 7.402 1.00 0.00 C ATOM 336 O VAL A 20 7.827 -2.479 6.700 1.00 0.00 O ATOM 337 CB VAL A 20 8.453 0.254 8.507 1.00 0.00 C ATOM 338 CG1 VAL A 20 7.535 0.699 7.367 1.00 0.00 C ATOM 339 CG2 VAL A 20 8.097 0.972 9.810 1.00 0.00 C ATOM 0 H VAL A 20 9.909 -0.915 10.107 1.00 0.00 H new ATOM 0 HA VAL A 20 7.384 -1.514 8.965 1.00 0.00 H new ATOM 0 HB VAL A 20 9.474 0.529 8.241 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.586 1.783 7.261 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.854 0.228 6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.509 0.404 7.589 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.137 2.050 9.654 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.092 0.687 10.120 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.809 0.691 10.586 1.00 0.00 H new ATOM 349 N TRP A 21 10.022 -2.153 7.133 1.00 0.00 N ATOM 350 CA TRP A 21 10.475 -2.855 5.945 1.00 0.00 C ATOM 351 C TRP A 21 9.937 -4.286 6.008 1.00 0.00 C ATOM 352 O TRP A 21 9.463 -4.819 5.006 1.00 0.00 O ATOM 353 CB TRP A 21 11.999 -2.795 5.820 1.00 0.00 C ATOM 354 CG TRP A 21 12.555 -3.555 4.614 1.00 0.00 C ATOM 355 CD1 TRP A 21 13.498 -4.507 4.603 1.00 0.00 C ATOM 356 CD2 TRP A 21 12.161 -3.388 3.236 1.00 0.00 C ATOM 357 NE1 TRP A 21 13.740 -4.964 3.323 1.00 0.00 N ATOM 358 CE2 TRP A 21 12.902 -4.262 2.466 1.00 0.00 C ATOM 359 CE3 TRP A 21 11.211 -2.527 2.659 1.00 0.00 C ATOM 360 CZ2 TRP A 21 12.769 -4.359 1.076 1.00 0.00 C ATOM 361 CZ3 TRP A 21 11.090 -2.637 1.269 1.00 0.00 C ATOM 362 CH2 TRP A 21 11.828 -3.511 0.479 1.00 0.00 C ATOM 0 H TRP A 21 10.769 -1.779 7.718 1.00 0.00 H new ATOM 0 HA TRP A 21 10.090 -2.377 5.044 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.307 -1.752 5.752 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.444 -3.200 6.729 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.005 -4.871 5.485 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.411 -5.685 3.056 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.621 -1.835 3.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.361 -5.051 0.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.373 -1.998 0.775 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.676 -3.536 -0.590 1.00 0.00 H new ATOM 373 N GLU A 22 10.029 -4.867 7.195 1.00 0.00 N ATOM 374 CA GLU A 22 9.557 -6.226 7.401 1.00 0.00 C ATOM 375 C GLU A 22 8.028 -6.270 7.355 1.00 0.00 C ATOM 376 O GLU A 22 7.446 -7.248 6.890 1.00 0.00 O ATOM 377 CB GLU A 22 10.082 -6.794 8.721 1.00 0.00 C ATOM 378 CG GLU A 22 11.342 -7.632 8.495 1.00 0.00 C ATOM 379 CD GLU A 22 12.590 -6.748 8.462 1.00 0.00 C ATOM 380 OE1 GLU A 22 13.119 -6.471 9.560 1.00 0.00 O ATOM 381 OE2 GLU A 22 12.987 -6.368 7.339 1.00 0.00 O ATOM 0 H GLU A 22 10.423 -4.422 8.024 1.00 0.00 H new ATOM 0 HA GLU A 22 9.943 -6.850 6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.302 -5.979 9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.312 -7.407 9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.438 -8.373 9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.255 -8.180 7.557 1.00 0.00 H new ATOM 388 N ALA A 23 7.422 -5.198 7.843 1.00 0.00 N ATOM 389 CA ALA A 23 5.972 -5.101 7.863 1.00 0.00 C ATOM 390 C ALA A 23 5.453 -4.992 6.429 1.00 0.00 C ATOM 391 O ALA A 23 4.255 -5.132 6.186 1.00 0.00 O ATOM 392 CB ALA A 23 5.552 -3.912 8.729 1.00 0.00 C ATOM 0 H ALA A 23 7.909 -4.388 8.228 1.00 0.00 H new ATOM 0 HA ALA A 23 5.533 -5.996 8.304 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.465 -3.839 8.744 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.920 -4.054 9.745 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.971 -2.995 8.316 1.00 0.00 H new ATOM 398 N VAL A 24 6.380 -4.742 5.515 1.00 0.00 N ATOM 399 CA VAL A 24 6.030 -4.612 4.111 1.00 0.00 C ATOM 400 C VAL A 24 6.746 -5.700 3.308 1.00 0.00 C ATOM 401 O VAL A 24 6.696 -5.705 2.079 1.00 0.00 O ATOM 402 CB VAL A 24 6.351 -3.199 3.620 1.00 0.00 C ATOM 403 CG1 VAL A 24 5.636 -2.147 4.471 1.00 0.00 C ATOM 404 CG2 VAL A 24 7.862 -2.954 3.603 1.00 0.00 C ATOM 0 H VAL A 24 7.372 -4.626 5.720 1.00 0.00 H new ATOM 0 HA VAL A 24 4.959 -4.755 3.970 1.00 0.00 H new ATOM 0 HB VAL A 24 5.985 -3.109 2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.881 -1.152 4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.559 -2.301 4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.958 -2.238 5.508 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.063 -1.942 3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.261 -3.073 4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.340 -3.672 2.936 1.00 0.00 H new ATOM 414 N SER A 25 7.396 -6.596 4.036 1.00 0.00 N ATOM 415 CA SER A 25 8.122 -7.687 3.408 1.00 0.00 C ATOM 416 C SER A 25 7.429 -9.018 3.708 1.00 0.00 C ATOM 417 O SER A 25 7.546 -9.970 2.938 1.00 0.00 O ATOM 418 CB SER A 25 9.576 -7.727 3.882 1.00 0.00 C ATOM 419 OG SER A 25 9.717 -8.425 5.116 1.00 0.00 O ATOM 0 H SER A 25 7.435 -6.589 5.055 1.00 0.00 H new ATOM 0 HA SER A 25 8.124 -7.520 2.331 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.192 -8.207 3.122 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.948 -6.709 3.997 1.00 0.00 H new ATOM 0 HG SER A 25 10.668 -8.569 5.304 1.00 0.00 H new ATOM 425 N THR A 26 6.723 -9.041 4.829 1.00 0.00 N ATOM 426 CA THR A 26 6.012 -10.240 5.241 1.00 0.00 C ATOM 427 C THR A 26 4.545 -10.163 4.812 1.00 0.00 C ATOM 428 O THR A 26 4.050 -9.090 4.470 1.00 0.00 O ATOM 429 CB THR A 26 6.196 -10.404 6.751 1.00 0.00 C ATOM 430 OG1 THR A 26 5.841 -9.131 7.284 1.00 0.00 O ATOM 431 CG2 THR A 26 7.664 -10.577 7.146 1.00 0.00 C ATOM 0 H THR A 26 6.628 -8.249 5.465 1.00 0.00 H new ATOM 0 HA THR A 26 6.415 -11.127 4.752 1.00 0.00 H new ATOM 0 HB THR A 26 5.623 -11.265 7.095 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.643 -8.572 7.359 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.739 -10.689 8.228 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.069 -11.465 6.660 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.231 -9.701 6.832 1.00 0.00 H new ATOM 439 N SER A 27 3.891 -11.314 4.845 1.00 0.00 N ATOM 440 CA SER A 27 2.491 -11.391 4.464 1.00 0.00 C ATOM 441 C SER A 27 1.604 -11.017 5.654 1.00 0.00 C ATOM 442 O SER A 27 0.659 -10.244 5.509 1.00 0.00 O ATOM 443 CB SER A 27 2.134 -12.789 3.955 1.00 0.00 C ATOM 444 OG SER A 27 2.837 -13.117 2.760 1.00 0.00 O ATOM 0 H SER A 27 4.305 -12.202 5.130 1.00 0.00 H new ATOM 0 HA SER A 27 2.318 -10.684 3.653 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.365 -13.525 4.725 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.061 -12.845 3.772 1.00 0.00 H new ATOM 0 HG SER A 27 3.783 -12.883 2.862 1.00 0.00 H new ATOM 450 N GLU A 28 1.941 -11.584 6.803 1.00 0.00 N ATOM 451 CA GLU A 28 1.187 -11.320 8.017 1.00 0.00 C ATOM 452 C GLU A 28 1.300 -9.843 8.401 1.00 0.00 C ATOM 453 O GLU A 28 0.325 -9.237 8.844 1.00 0.00 O ATOM 454 CB GLU A 28 1.655 -12.221 9.161 1.00 0.00 C ATOM 455 CG GLU A 28 0.508 -13.093 9.676 1.00 0.00 C ATOM 456 CD GLU A 28 -0.326 -12.343 10.716 1.00 0.00 C ATOM 457 OE1 GLU A 28 -0.689 -11.183 10.423 1.00 0.00 O ATOM 458 OE2 GLU A 28 -0.583 -12.946 11.780 1.00 0.00 O ATOM 0 H GLU A 28 2.726 -12.225 6.919 1.00 0.00 H new ATOM 0 HA GLU A 28 0.138 -11.547 7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.473 -12.855 8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.045 -11.609 9.974 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.127 -13.394 8.843 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.910 -14.006 10.116 1.00 0.00 H new ATOM 465 N GLY A 29 2.497 -9.307 8.217 1.00 0.00 N ATOM 466 CA GLY A 29 2.750 -7.913 8.539 1.00 0.00 C ATOM 467 C GLY A 29 1.970 -6.984 7.606 1.00 0.00 C ATOM 468 O GLY A 29 1.432 -5.968 8.043 1.00 0.00 O ATOM 0 H GLY A 29 3.303 -9.813 7.849 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.466 -7.718 9.573 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.817 -7.705 8.457 1.00 0.00 H new ATOM 472 N LEU A 30 1.934 -7.366 6.338 1.00 0.00 N ATOM 473 CA LEU A 30 1.229 -6.581 5.340 1.00 0.00 C ATOM 474 C LEU A 30 -0.279 -6.730 5.551 1.00 0.00 C ATOM 475 O LEU A 30 -0.990 -5.737 5.702 1.00 0.00 O ATOM 476 CB LEU A 30 1.692 -6.962 3.932 1.00 0.00 C ATOM 477 CG LEU A 30 2.614 -5.959 3.235 1.00 0.00 C ATOM 478 CD1 LEU A 30 3.941 -6.613 2.845 1.00 0.00 C ATOM 479 CD2 LEU A 30 1.916 -5.316 2.035 1.00 0.00 C ATOM 0 H LEU A 30 2.382 -8.209 5.979 1.00 0.00 H new ATOM 0 HA LEU A 30 1.465 -5.523 5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.207 -7.921 3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.810 -7.109 3.308 1.00 0.00 H new ATOM 0 HG LEU A 30 2.845 -5.160 3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.577 -5.878 2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.441 -6.983 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.751 -7.444 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.593 -4.607 1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.636 -6.089 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.021 -4.793 2.372 1.00 0.00 H new ATOM 491 N ALA A 31 -0.724 -7.978 5.556 1.00 0.00 N ATOM 492 CA ALA A 31 -2.134 -8.270 5.747 1.00 0.00 C ATOM 493 C ALA A 31 -2.625 -7.581 7.022 1.00 0.00 C ATOM 494 O ALA A 31 -3.824 -7.369 7.195 1.00 0.00 O ATOM 495 CB ALA A 31 -2.341 -9.785 5.786 1.00 0.00 C ATOM 0 H ALA A 31 -0.132 -8.799 5.431 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.722 -7.882 4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.399 -10.004 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.004 -10.223 4.846 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.768 -10.209 6.610 1.00 0.00 H new ATOM 501 N PHE A 32 -1.673 -7.251 7.882 1.00 0.00 N ATOM 502 CA PHE A 32 -1.993 -6.591 9.136 1.00 0.00 C ATOM 503 C PHE A 32 -2.638 -5.226 8.888 1.00 0.00 C ATOM 504 O PHE A 32 -3.273 -4.663 9.779 1.00 0.00 O ATOM 505 CB PHE A 32 -0.675 -6.390 9.886 1.00 0.00 C ATOM 506 CG PHE A 32 -0.759 -6.688 11.384 1.00 0.00 C ATOM 507 CD1 PHE A 32 -1.789 -6.190 12.120 1.00 0.00 C ATOM 508 CD2 PHE A 32 0.196 -7.451 11.980 1.00 0.00 C ATOM 509 CE1 PHE A 32 -1.866 -6.467 13.510 1.00 0.00 C ATOM 510 CE2 PHE A 32 0.118 -7.728 13.370 1.00 0.00 C ATOM 511 CZ PHE A 32 -0.911 -7.230 14.106 1.00 0.00 C ATOM 0 H PHE A 32 -0.679 -7.428 7.735 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.697 -7.198 9.706 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.086 -7.031 9.441 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.344 -5.360 9.749 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.548 -5.584 11.647 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.014 -7.846 11.396 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.683 -6.072 14.095 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.876 -8.334 13.843 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.970 -7.440 15.164 1.00 0.00 H new ATOM 521 N TRP A 33 -2.454 -4.732 7.672 1.00 0.00 N ATOM 522 CA TRP A 33 -3.010 -3.444 7.295 1.00 0.00 C ATOM 523 C TRP A 33 -3.553 -3.562 5.870 1.00 0.00 C ATOM 524 O TRP A 33 -4.691 -3.180 5.602 1.00 0.00 O ATOM 525 CB TRP A 33 -1.970 -2.332 7.448 1.00 0.00 C ATOM 526 CG TRP A 33 -0.703 -2.547 6.618 1.00 0.00 C ATOM 527 CD1 TRP A 33 0.401 -3.225 6.959 1.00 0.00 C ATOM 528 CD2 TRP A 33 -0.452 -2.050 5.286 1.00 0.00 C ATOM 529 NE1 TRP A 33 1.341 -3.202 5.949 1.00 0.00 N ATOM 530 CE2 TRP A 33 0.806 -2.465 4.899 1.00 0.00 C ATOM 531 CE3 TRP A 33 -1.262 -1.276 4.437 1.00 0.00 C ATOM 532 CZ2 TRP A 33 1.366 -2.155 3.654 1.00 0.00 C ATOM 533 CZ3 TRP A 33 -0.688 -0.974 3.196 1.00 0.00 C ATOM 534 CH2 TRP A 33 0.577 -1.384 2.792 1.00 0.00 C ATOM 0 H TRP A 33 -1.927 -5.201 6.935 1.00 0.00 H new ATOM 0 HA TRP A 33 -3.830 -3.169 7.958 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -2.423 -1.383 7.162 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -1.694 -2.249 8.499 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.538 -3.727 7.906 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.260 -3.645 5.969 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.249 -0.941 4.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.353 -2.492 3.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -1.269 -0.381 2.505 1.00 0.00 H new ATOM 0 HH2 TRP A 33 0.950 -1.109 1.817 1.00 0.00 H new ATOM 545 N PHE A 34 -2.714 -4.094 4.993 1.00 0.00 N ATOM 546 CA PHE A 34 -3.096 -4.267 3.602 1.00 0.00 C ATOM 547 C PHE A 34 -4.166 -5.351 3.458 1.00 0.00 C ATOM 548 O PHE A 34 -5.361 -5.059 3.499 1.00 0.00 O ATOM 549 CB PHE A 34 -1.841 -4.703 2.844 1.00 0.00 C ATOM 550 CG PHE A 34 -2.116 -5.226 1.433 1.00 0.00 C ATOM 551 CD1 PHE A 34 -2.881 -4.499 0.575 1.00 0.00 C ATOM 552 CD2 PHE A 34 -1.595 -6.418 1.036 1.00 0.00 C ATOM 553 CE1 PHE A 34 -3.136 -4.985 -0.735 1.00 0.00 C ATOM 554 CE2 PHE A 34 -1.850 -6.904 -0.274 1.00 0.00 C ATOM 555 CZ PHE A 34 -2.615 -6.177 -1.131 1.00 0.00 C ATOM 0 H PHE A 34 -1.771 -4.411 5.219 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.505 -3.336 3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.156 -3.858 2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.335 -5.481 3.416 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.295 -3.552 0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.987 -6.995 1.717 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.744 -4.408 -1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.436 -7.851 -0.589 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.809 -6.546 -2.127 1.00 0.00 H new ATOM 565 N MET A 35 -3.700 -6.580 3.293 1.00 0.00 N ATOM 566 CA MET A 35 -4.602 -7.709 3.143 1.00 0.00 C ATOM 567 C MET A 35 -3.833 -9.032 3.164 1.00 0.00 C ATOM 568 O MET A 35 -2.614 -9.048 3.000 1.00 0.00 O ATOM 569 CB MET A 35 -5.364 -7.582 1.822 1.00 0.00 C ATOM 570 CG MET A 35 -6.756 -6.990 2.048 1.00 0.00 C ATOM 571 SD MET A 35 -6.907 -5.438 1.178 1.00 0.00 S ATOM 572 CE MET A 35 -6.725 -6.006 -0.504 1.00 0.00 C ATOM 0 H MET A 35 -2.709 -6.819 3.260 1.00 0.00 H new ATOM 0 HA MET A 35 -5.302 -7.704 3.978 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.803 -6.950 1.134 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.453 -8.562 1.354 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.518 -7.687 1.700 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.927 -6.837 3.114 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.259 -5.333 -1.175 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.668 -6.021 -0.771 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.136 -7.011 -0.595 1.00 0.00 H new ATOM 582 N GLU A 36 -4.577 -10.109 3.367 1.00 0.00 N ATOM 583 CA GLU A 36 -3.981 -11.433 3.411 1.00 0.00 C ATOM 584 C GLU A 36 -3.312 -11.759 2.074 1.00 0.00 C ATOM 585 O GLU A 36 -3.907 -11.567 1.015 1.00 0.00 O ATOM 586 CB GLU A 36 -5.023 -12.492 3.776 1.00 0.00 C ATOM 587 CG GLU A 36 -5.366 -12.433 5.265 1.00 0.00 C ATOM 588 CD GLU A 36 -5.467 -13.839 5.861 1.00 0.00 C ATOM 589 OE1 GLU A 36 -5.724 -14.773 5.071 1.00 0.00 O ATOM 590 OE2 GLU A 36 -5.285 -13.948 7.093 1.00 0.00 O ATOM 0 H GLU A 36 -5.588 -10.092 3.503 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.217 -11.440 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.926 -12.338 3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.643 -13.483 3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.603 -11.863 5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.310 -11.907 5.404 1.00 0.00 H new ATOM 597 N ASN A 37 -2.084 -12.248 2.167 1.00 0.00 N ATOM 598 CA ASN A 37 -1.328 -12.602 0.977 1.00 0.00 C ATOM 599 C ASN A 37 -0.241 -13.612 1.352 1.00 0.00 C ATOM 600 O ASN A 37 -0.203 -14.099 2.480 1.00 0.00 O ATOM 601 CB ASN A 37 -0.645 -11.374 0.372 1.00 0.00 C ATOM 602 CG ASN A 37 0.365 -10.771 1.350 1.00 0.00 C ATOM 603 OD1 ASN A 37 1.567 -10.811 1.144 1.00 0.00 O ATOM 604 ND2 ASN A 37 -0.187 -10.212 2.422 1.00 0.00 N ATOM 0 H ASN A 37 -1.594 -12.407 3.047 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.022 -13.023 0.249 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.139 -11.653 -0.552 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.395 -10.627 0.112 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.403 -9.782 3.134 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.201 -10.213 2.533 1.00 0.00 H new ATOM 611 N ASP A 38 0.617 -13.896 0.383 1.00 0.00 N ATOM 612 CA ASP A 38 1.702 -14.838 0.596 1.00 0.00 C ATOM 613 C ASP A 38 3.014 -14.217 0.111 1.00 0.00 C ATOM 614 O ASP A 38 3.900 -14.925 -0.366 1.00 0.00 O ATOM 615 CB ASP A 38 1.472 -16.131 -0.189 1.00 0.00 C ATOM 616 CG ASP A 38 2.026 -17.395 0.470 1.00 0.00 C ATOM 617 OD1 ASP A 38 3.267 -17.472 0.596 1.00 0.00 O ATOM 618 OD2 ASP A 38 1.196 -18.256 0.833 1.00 0.00 O ATOM 0 H ASP A 38 0.582 -13.490 -0.552 1.00 0.00 H new ATOM 0 HA ASP A 38 1.746 -15.066 1.661 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.401 -16.259 -0.342 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.925 -16.025 -1.175 1.00 0.00 H new ATOM 623 N LEU A 39 3.096 -12.902 0.249 1.00 0.00 N ATOM 624 CA LEU A 39 4.285 -12.179 -0.169 1.00 0.00 C ATOM 625 C LEU A 39 5.457 -12.567 0.733 1.00 0.00 C ATOM 626 O LEU A 39 5.263 -12.892 1.904 1.00 0.00 O ATOM 627 CB LEU A 39 4.010 -10.674 -0.207 1.00 0.00 C ATOM 628 CG LEU A 39 5.142 -9.799 -0.751 1.00 0.00 C ATOM 629 CD1 LEU A 39 4.692 -9.033 -1.997 1.00 0.00 C ATOM 630 CD2 LEU A 39 5.681 -8.864 0.333 1.00 0.00 C ATOM 0 H LEU A 39 2.359 -12.318 0.644 1.00 0.00 H new ATOM 0 HA LEU A 39 4.561 -12.456 -1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.121 -10.502 -0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.775 -10.342 0.804 1.00 0.00 H new ATOM 0 HG LEU A 39 5.963 -10.450 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.515 -8.419 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.394 -9.740 -2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.846 -8.393 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.484 -8.253 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.879 -8.217 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.065 -9.455 1.165 1.00 0.00 H new ATOM 642 N LYS A 40 6.648 -12.522 0.155 1.00 0.00 N ATOM 643 CA LYS A 40 7.852 -12.865 0.892 1.00 0.00 C ATOM 644 C LYS A 40 9.010 -11.992 0.404 1.00 0.00 C ATOM 645 O LYS A 40 10.165 -12.417 0.427 1.00 0.00 O ATOM 646 CB LYS A 40 8.130 -14.366 0.795 1.00 0.00 C ATOM 647 CG LYS A 40 7.997 -15.038 2.163 1.00 0.00 C ATOM 648 CD LYS A 40 8.779 -16.353 2.207 1.00 0.00 C ATOM 649 CE LYS A 40 10.101 -16.180 2.957 1.00 0.00 C ATOM 650 NZ LYS A 40 10.996 -17.331 2.703 1.00 0.00 N ATOM 0 H LYS A 40 6.805 -12.253 -0.816 1.00 0.00 H new ATOM 0 HA LYS A 40 7.721 -12.657 1.954 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.434 -14.824 0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.134 -14.529 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.364 -14.366 2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.946 -15.229 2.378 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.178 -17.121 2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.975 -16.698 1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.587 -15.257 2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.910 -16.089 4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.889 -17.197 3.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.536 -18.206 3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.193 -17.400 1.684 1.00 0.00 H new ATOM 664 N ALA A 41 8.662 -10.788 -0.025 1.00 0.00 N ATOM 665 CA ALA A 41 9.658 -9.852 -0.518 1.00 0.00 C ATOM 666 C ALA A 41 10.622 -10.585 -1.453 1.00 0.00 C ATOM 667 O ALA A 41 11.806 -10.719 -1.149 1.00 0.00 O ATOM 668 CB ALA A 41 10.376 -9.201 0.666 1.00 0.00 C ATOM 0 H ALA A 41 7.704 -10.439 -0.041 1.00 0.00 H new ATOM 0 HA ALA A 41 9.185 -9.055 -1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.123 -8.499 0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.652 -8.669 1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.865 -9.971 1.263 1.00 0.00 H new ATOM 674 N GLU A 42 10.078 -11.040 -2.573 1.00 0.00 N ATOM 675 CA GLU A 42 10.875 -11.756 -3.554 1.00 0.00 C ATOM 676 C GLU A 42 10.391 -11.432 -4.969 1.00 0.00 C ATOM 677 O GLU A 42 9.247 -11.719 -5.319 1.00 0.00 O ATOM 678 CB GLU A 42 10.841 -13.263 -3.295 1.00 0.00 C ATOM 679 CG GLU A 42 12.256 -13.838 -3.211 1.00 0.00 C ATOM 680 CD GLU A 42 12.358 -14.883 -2.098 1.00 0.00 C ATOM 681 OE1 GLU A 42 11.960 -16.037 -2.366 1.00 0.00 O ATOM 682 OE2 GLU A 42 12.833 -14.505 -1.005 1.00 0.00 O ATOM 0 H GLU A 42 9.095 -10.926 -2.822 1.00 0.00 H new ATOM 0 HA GLU A 42 11.910 -11.428 -3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.308 -13.464 -2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.290 -13.760 -4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.526 -14.290 -4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.969 -13.034 -3.026 1.00 0.00 H new ATOM 689 N THR A 43 11.286 -10.837 -5.745 1.00 0.00 N ATOM 690 CA THR A 43 10.965 -10.471 -7.114 1.00 0.00 C ATOM 691 C THR A 43 10.687 -11.722 -7.949 1.00 0.00 C ATOM 692 O THR A 43 11.371 -12.735 -7.804 1.00 0.00 O ATOM 693 CB THR A 43 12.113 -9.620 -7.658 1.00 0.00 C ATOM 694 OG1 THR A 43 11.500 -8.803 -8.651 1.00 0.00 O ATOM 695 CG2 THR A 43 13.138 -10.447 -8.436 1.00 0.00 C ATOM 0 H THR A 43 12.233 -10.599 -5.451 1.00 0.00 H new ATOM 0 HA THR A 43 10.052 -9.878 -7.161 1.00 0.00 H new ATOM 0 HB THR A 43 12.610 -9.111 -6.832 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.174 -8.217 -9.055 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.931 -9.794 -8.800 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.565 -11.207 -7.781 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.649 -10.930 -9.282 1.00 0.00 H new ATOM 703 N GLY A 44 9.683 -11.612 -8.806 1.00 0.00 N ATOM 704 CA GLY A 44 9.306 -12.722 -9.665 1.00 0.00 C ATOM 705 C GLY A 44 8.583 -13.810 -8.870 1.00 0.00 C ATOM 706 O GLY A 44 8.529 -14.963 -9.296 1.00 0.00 O ATOM 0 H GLY A 44 9.118 -10.771 -8.924 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.661 -12.363 -10.467 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.196 -13.141 -10.135 1.00 0.00 H new ATOM 710 N HIS A 45 8.047 -13.406 -7.728 1.00 0.00 N ATOM 711 CA HIS A 45 7.329 -14.333 -6.869 1.00 0.00 C ATOM 712 C HIS A 45 5.848 -14.346 -7.251 1.00 0.00 C ATOM 713 O HIS A 45 5.305 -13.329 -7.682 1.00 0.00 O ATOM 714 CB HIS A 45 7.558 -13.994 -5.394 1.00 0.00 C ATOM 715 CG HIS A 45 6.958 -14.994 -4.435 1.00 0.00 C ATOM 716 ND1 HIS A 45 6.934 -16.355 -4.688 1.00 0.00 N ATOM 717 CD2 HIS A 45 6.362 -14.818 -3.220 1.00 0.00 C ATOM 718 CE1 HIS A 45 6.346 -16.960 -3.665 1.00 0.00 C ATOM 719 NE2 HIS A 45 5.992 -16.005 -2.758 1.00 0.00 N ATOM 0 H HIS A 45 8.095 -12.449 -7.377 1.00 0.00 H new ATOM 0 HA HIS A 45 7.714 -15.342 -7.015 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.630 -13.927 -5.209 1.00 0.00 H new ATOM 0 HB3 HIS A 45 7.137 -13.010 -5.188 1.00 0.00 H new ATOM 0 HD2 HIS A 45 6.216 -13.872 -2.719 1.00 0.00 H new ATOM 0 HE1 HIS A 45 6.177 -18.022 -3.567 1.00 0.00 H new ATOM 0 HE2 HIS A 45 5.520 -16.176 -1.870 1.00 0.00 H new ATOM 727 N HIS A 46 5.236 -15.508 -7.081 1.00 0.00 N ATOM 728 CA HIS A 46 3.828 -15.667 -7.403 1.00 0.00 C ATOM 729 C HIS A 46 3.035 -15.931 -6.121 1.00 0.00 C ATOM 730 O HIS A 46 3.111 -17.019 -5.553 1.00 0.00 O ATOM 731 CB HIS A 46 3.631 -16.758 -8.457 1.00 0.00 C ATOM 732 CG HIS A 46 4.488 -17.983 -8.240 1.00 0.00 C ATOM 733 ND1 HIS A 46 5.764 -18.107 -8.761 1.00 0.00 N ATOM 734 CD2 HIS A 46 4.238 -19.135 -7.554 1.00 0.00 C ATOM 735 CE1 HIS A 46 6.251 -19.285 -8.399 1.00 0.00 C ATOM 736 NE2 HIS A 46 5.303 -19.921 -7.651 1.00 0.00 N ATOM 0 H HIS A 46 5.689 -16.349 -6.724 1.00 0.00 H new ATOM 0 HA HIS A 46 3.446 -14.746 -7.842 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.583 -17.057 -8.464 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.851 -16.343 -9.441 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.328 -19.368 -7.022 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.227 -19.674 -8.651 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.397 -20.848 -7.235 1.00 0.00 H new ATOM 744 N PHE A 47 2.291 -14.917 -5.704 1.00 0.00 N ATOM 745 CA PHE A 47 1.485 -15.026 -4.500 1.00 0.00 C ATOM 746 C PHE A 47 0.067 -14.503 -4.741 1.00 0.00 C ATOM 747 O PHE A 47 -0.122 -13.518 -5.453 1.00 0.00 O ATOM 748 CB PHE A 47 2.159 -14.164 -3.431 1.00 0.00 C ATOM 749 CG PHE A 47 1.910 -12.663 -3.593 1.00 0.00 C ATOM 750 CD1 PHE A 47 2.736 -11.917 -4.376 1.00 0.00 C ATOM 751 CD2 PHE A 47 0.863 -12.074 -2.955 1.00 0.00 C ATOM 752 CE1 PHE A 47 2.505 -10.524 -4.527 1.00 0.00 C ATOM 753 CE2 PHE A 47 0.632 -10.681 -3.106 1.00 0.00 C ATOM 754 CZ PHE A 47 1.458 -9.936 -3.889 1.00 0.00 C ATOM 0 H PHE A 47 2.229 -14.016 -6.178 1.00 0.00 H new ATOM 0 HA PHE A 47 1.412 -16.070 -4.194 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.803 -14.477 -2.449 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.233 -14.348 -3.454 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.567 -12.384 -4.883 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.207 -12.666 -2.334 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.161 -9.932 -5.148 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.199 -10.213 -2.599 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.282 -8.877 -4.004 1.00 0.00 H new ATOM 764 N HIS A 48 -0.892 -15.185 -4.133 1.00 0.00 N ATOM 765 CA HIS A 48 -2.286 -14.802 -4.272 1.00 0.00 C ATOM 766 C HIS A 48 -2.665 -13.829 -3.153 1.00 0.00 C ATOM 767 O HIS A 48 -1.919 -13.665 -2.189 1.00 0.00 O ATOM 768 CB HIS A 48 -3.188 -16.037 -4.313 1.00 0.00 C ATOM 769 CG HIS A 48 -3.421 -16.581 -5.703 1.00 0.00 C ATOM 770 ND1 HIS A 48 -2.425 -17.190 -6.446 1.00 0.00 N ATOM 771 CD2 HIS A 48 -4.545 -16.602 -6.475 1.00 0.00 C ATOM 772 CE1 HIS A 48 -2.938 -17.556 -7.612 1.00 0.00 C ATOM 773 NE2 HIS A 48 -4.252 -17.190 -7.628 1.00 0.00 N ATOM 0 H HIS A 48 -0.731 -16.001 -3.543 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.431 -14.286 -5.221 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.744 -16.819 -3.697 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.150 -15.787 -3.866 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.510 -16.207 -6.195 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.409 -18.056 -8.409 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.902 -17.343 -8.399 1.00 0.00 H new ATOM 781 N LEU A 49 -3.824 -13.208 -3.320 1.00 0.00 N ATOM 782 CA LEU A 49 -4.311 -12.256 -2.336 1.00 0.00 C ATOM 783 C LEU A 49 -5.726 -12.651 -1.908 1.00 0.00 C ATOM 784 O LEU A 49 -6.633 -12.715 -2.735 1.00 0.00 O ATOM 785 CB LEU A 49 -4.208 -10.828 -2.876 1.00 0.00 C ATOM 786 CG LEU A 49 -4.843 -9.737 -2.012 1.00 0.00 C ATOM 787 CD1 LEU A 49 -3.841 -9.194 -0.991 1.00 0.00 C ATOM 788 CD2 LEU A 49 -5.435 -8.625 -2.881 1.00 0.00 C ATOM 0 H LEU A 49 -4.439 -13.346 -4.122 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.688 -12.280 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.154 -10.588 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.672 -10.799 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.666 -10.181 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.318 -8.420 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.508 -10.004 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.983 -8.771 -1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.880 -7.862 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.646 -8.177 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.201 -9.043 -3.535 1.00 0.00 H new ATOM 800 N GLN A 50 -5.869 -12.904 -0.615 1.00 0.00 N ATOM 801 CA GLN A 50 -7.158 -13.290 -0.067 1.00 0.00 C ATOM 802 C GLN A 50 -7.948 -12.050 0.357 1.00 0.00 C ATOM 803 O GLN A 50 -8.048 -11.749 1.545 1.00 0.00 O ATOM 804 CB GLN A 50 -6.987 -14.258 1.106 1.00 0.00 C ATOM 805 CG GLN A 50 -6.619 -15.658 0.612 1.00 0.00 C ATOM 806 CD GLN A 50 -7.799 -16.620 0.762 1.00 0.00 C ATOM 807 OE1 GLN A 50 -8.114 -17.095 1.841 1.00 0.00 O ATOM 808 NE2 GLN A 50 -8.432 -16.881 -0.378 1.00 0.00 N ATOM 0 H GLN A 50 -5.114 -12.849 0.068 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.721 -13.807 -0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.211 -13.889 1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.911 -14.303 1.683 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.315 -15.610 -0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.765 -16.034 1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.117 -16.450 -1.247 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.233 -17.512 -0.384 1.00 0.00 H new ATOM 817 N SER A 51 -8.488 -11.364 -0.640 1.00 0.00 N ATOM 818 CA SER A 51 -9.266 -10.163 -0.386 1.00 0.00 C ATOM 819 C SER A 51 -10.721 -10.535 -0.091 1.00 0.00 C ATOM 820 O SER A 51 -11.117 -11.687 -0.259 1.00 0.00 O ATOM 821 CB SER A 51 -9.194 -9.199 -1.571 1.00 0.00 C ATOM 822 OG SER A 51 -10.346 -9.291 -2.405 1.00 0.00 O ATOM 0 H SER A 51 -8.402 -11.617 -1.624 1.00 0.00 H new ATOM 0 HA SER A 51 -8.843 -9.659 0.483 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.094 -8.178 -1.202 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.302 -9.414 -2.160 1.00 0.00 H new ATOM 0 HG SER A 51 -10.201 -9.978 -3.089 1.00 0.00 H new ATOM 828 N PRO A 52 -11.497 -9.511 0.354 1.00 0.00 N ATOM 829 CA PRO A 52 -12.899 -9.718 0.673 1.00 0.00 C ATOM 830 C PRO A 52 -13.738 -9.846 -0.600 1.00 0.00 C ATOM 831 O PRO A 52 -14.550 -10.762 -0.723 1.00 0.00 O ATOM 832 CB PRO A 52 -13.290 -8.521 1.525 1.00 0.00 C ATOM 833 CG PRO A 52 -12.232 -7.462 1.265 1.00 0.00 C ATOM 834 CD PRO A 52 -11.062 -8.133 0.565 1.00 0.00 C ATOM 0 HA PRO A 52 -13.074 -10.648 1.213 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.282 -8.157 1.256 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.324 -8.788 2.581 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.638 -6.661 0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.907 -7.009 2.202 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.831 -7.641 -0.380 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.159 -8.092 1.175 1.00 0.00 H new ATOM 842 N PHE A 53 -13.514 -8.914 -1.514 1.00 0.00 N ATOM 843 CA PHE A 53 -14.239 -8.911 -2.773 1.00 0.00 C ATOM 844 C PHE A 53 -13.630 -9.909 -3.759 1.00 0.00 C ATOM 845 O PHE A 53 -13.339 -9.560 -4.902 1.00 0.00 O ATOM 846 CB PHE A 53 -14.119 -7.500 -3.355 1.00 0.00 C ATOM 847 CG PHE A 53 -15.204 -6.535 -2.875 1.00 0.00 C ATOM 848 CD1 PHE A 53 -16.509 -6.772 -3.180 1.00 0.00 C ATOM 849 CD2 PHE A 53 -14.865 -5.440 -2.144 1.00 0.00 C ATOM 850 CE1 PHE A 53 -17.516 -5.876 -2.735 1.00 0.00 C ATOM 851 CE2 PHE A 53 -15.873 -4.544 -1.698 1.00 0.00 C ATOM 852 CZ PHE A 53 -17.177 -4.781 -2.003 1.00 0.00 C ATOM 0 H PHE A 53 -12.840 -8.155 -1.408 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.278 -9.195 -2.605 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -13.143 -7.092 -3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -14.158 -7.562 -4.443 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -16.778 -7.642 -3.761 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -13.829 -5.251 -1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -18.551 -6.064 -2.978 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -15.604 -3.675 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 53 -17.943 -4.100 -1.664 1.00 0.00 H new ATOM 862 N GLY A 54 -13.455 -11.133 -3.281 1.00 0.00 N ATOM 863 CA GLY A 54 -12.886 -12.185 -4.106 1.00 0.00 C ATOM 864 C GLY A 54 -11.360 -12.081 -4.152 1.00 0.00 C ATOM 865 O GLY A 54 -10.807 -10.983 -4.107 1.00 0.00 O ATOM 0 H GLY A 54 -13.697 -11.419 -2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.176 -13.159 -3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.289 -12.118 -5.116 1.00 0.00 H new ATOM 869 N PRO A 55 -10.706 -13.269 -4.242 1.00 0.00 N ATOM 870 CA PRO A 55 -9.255 -13.323 -4.294 1.00 0.00 C ATOM 871 C PRO A 55 -8.739 -12.895 -5.670 1.00 0.00 C ATOM 872 O PRO A 55 -9.417 -13.089 -6.678 1.00 0.00 O ATOM 873 CB PRO A 55 -8.901 -14.760 -3.948 1.00 0.00 C ATOM 874 CG PRO A 55 -10.170 -15.566 -4.171 1.00 0.00 C ATOM 875 CD PRO A 55 -11.327 -14.589 -4.297 1.00 0.00 C ATOM 0 HA PRO A 55 -8.784 -12.632 -3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.090 -15.125 -4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.563 -14.841 -2.915 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.083 -16.173 -5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.338 -16.251 -3.340 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -11.867 -14.734 -5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.047 -14.722 -3.489 1.00 0.00 H new ATOM 883 N SER A 56 -7.545 -12.321 -5.667 1.00 0.00 N ATOM 884 CA SER A 56 -6.931 -11.864 -6.902 1.00 0.00 C ATOM 885 C SER A 56 -5.456 -12.267 -6.933 1.00 0.00 C ATOM 886 O SER A 56 -4.820 -12.391 -5.888 1.00 0.00 O ATOM 887 CB SER A 56 -7.071 -10.349 -7.060 1.00 0.00 C ATOM 888 OG SER A 56 -7.927 -10.001 -8.145 1.00 0.00 O ATOM 0 H SER A 56 -6.986 -12.162 -4.829 1.00 0.00 H new ATOM 0 HA SER A 56 -7.448 -12.338 -7.736 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.465 -9.923 -6.137 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.087 -9.909 -7.220 1.00 0.00 H new ATOM 0 HG SER A 56 -7.827 -9.047 -8.348 1.00 0.00 H new ATOM 894 N PRO A 57 -4.940 -12.464 -8.176 1.00 0.00 N ATOM 895 CA PRO A 57 -3.551 -12.850 -8.357 1.00 0.00 C ATOM 896 C PRO A 57 -2.616 -11.662 -8.120 1.00 0.00 C ATOM 897 O PRO A 57 -2.990 -10.515 -8.362 1.00 0.00 O ATOM 898 CB PRO A 57 -3.475 -13.392 -9.775 1.00 0.00 C ATOM 899 CG PRO A 57 -4.707 -12.863 -10.490 1.00 0.00 C ATOM 900 CD PRO A 57 -5.662 -12.326 -9.437 1.00 0.00 C ATOM 0 HA PRO A 57 -3.227 -13.603 -7.639 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.563 -13.061 -10.271 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.461 -14.482 -9.776 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.432 -12.076 -11.193 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.183 -13.655 -11.068 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.922 -11.286 -9.632 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.594 -12.891 -9.423 1.00 0.00 H new ATOM 908 N CYS A 58 -1.418 -11.977 -7.650 1.00 0.00 N ATOM 909 CA CYS A 58 -0.427 -10.950 -7.378 1.00 0.00 C ATOM 910 C CYS A 58 0.956 -11.521 -7.694 1.00 0.00 C ATOM 911 O CYS A 58 1.185 -12.720 -7.545 1.00 0.00 O ATOM 912 CB CYS A 58 -0.520 -10.442 -5.937 1.00 0.00 C ATOM 913 SG CYS A 58 -2.245 -9.972 -5.549 1.00 0.00 S ATOM 0 H CYS A 58 -1.111 -12.929 -7.451 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.614 -10.083 -8.012 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.181 -11.215 -5.248 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.139 -9.584 -5.802 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.932 -9.895 -6.650 1.00 0.00 H new ATOM 919 N GLN A 59 1.843 -10.635 -8.125 1.00 0.00 N ATOM 920 CA GLN A 59 3.198 -11.037 -8.463 1.00 0.00 C ATOM 921 C GLN A 59 4.162 -9.863 -8.274 1.00 0.00 C ATOM 922 O GLN A 59 3.974 -8.800 -8.862 1.00 0.00 O ATOM 923 CB GLN A 59 3.268 -11.579 -9.892 1.00 0.00 C ATOM 924 CG GLN A 59 4.714 -11.871 -10.297 1.00 0.00 C ATOM 925 CD GLN A 59 4.808 -13.171 -11.098 1.00 0.00 C ATOM 926 OE1 GLN A 59 5.261 -14.196 -10.617 1.00 0.00 O ATOM 927 NE2 GLN A 59 4.355 -13.072 -12.345 1.00 0.00 N ATOM 0 H GLN A 59 1.650 -9.641 -8.248 1.00 0.00 H new ATOM 0 HA GLN A 59 3.497 -11.840 -7.790 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.674 -12.490 -9.969 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.833 -10.855 -10.581 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.103 -11.044 -10.892 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.337 -11.943 -9.406 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.988 -12.183 -12.685 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.374 -13.885 -12.961 1.00 0.00 H new ATOM 936 N VAL A 60 5.173 -10.097 -7.450 1.00 0.00 N ATOM 937 CA VAL A 60 6.166 -9.073 -7.176 1.00 0.00 C ATOM 938 C VAL A 60 6.932 -8.754 -8.462 1.00 0.00 C ATOM 939 O VAL A 60 7.267 -9.655 -9.229 1.00 0.00 O ATOM 940 CB VAL A 60 7.079 -9.522 -6.033 1.00 0.00 C ATOM 941 CG1 VAL A 60 7.968 -8.371 -5.558 1.00 0.00 C ATOM 942 CG2 VAL A 60 6.263 -10.099 -4.875 1.00 0.00 C ATOM 0 H VAL A 60 5.325 -10.980 -6.964 1.00 0.00 H new ATOM 0 HA VAL A 60 5.684 -8.152 -6.847 1.00 0.00 H new ATOM 0 HB VAL A 60 7.728 -10.312 -6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.607 -8.716 -4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.588 -8.025 -6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.343 -7.551 -5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.935 -10.411 -4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.579 -9.339 -4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.692 -10.959 -5.225 1.00 0.00 H new ATOM 952 N THR A 61 7.186 -7.468 -8.658 1.00 0.00 N ATOM 953 CA THR A 61 7.905 -7.019 -9.838 1.00 0.00 C ATOM 954 C THR A 61 9.280 -6.472 -9.448 1.00 0.00 C ATOM 955 O THR A 61 10.248 -6.630 -10.190 1.00 0.00 O ATOM 956 CB THR A 61 7.029 -5.998 -10.566 1.00 0.00 C ATOM 957 OG1 THR A 61 7.068 -4.846 -9.727 1.00 0.00 O ATOM 958 CG2 THR A 61 5.552 -6.398 -10.580 1.00 0.00 C ATOM 0 H THR A 61 6.907 -6.723 -8.019 1.00 0.00 H new ATOM 0 HA THR A 61 8.100 -7.846 -10.521 1.00 0.00 H new ATOM 0 HB THR A 61 7.383 -5.881 -11.590 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.527 -4.133 -10.125 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.975 -5.640 -11.109 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.440 -7.357 -11.085 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.188 -6.482 -9.556 1.00 0.00 H new ATOM 966 N ASP A 62 9.322 -5.840 -8.284 1.00 0.00 N ATOM 967 CA ASP A 62 10.562 -5.269 -7.787 1.00 0.00 C ATOM 968 C ASP A 62 10.544 -5.278 -6.257 1.00 0.00 C ATOM 969 O ASP A 62 9.565 -4.859 -5.641 1.00 0.00 O ATOM 970 CB ASP A 62 10.726 -3.820 -8.250 1.00 0.00 C ATOM 971 CG ASP A 62 11.833 -3.592 -9.280 1.00 0.00 C ATOM 972 OD1 ASP A 62 12.966 -4.042 -9.004 1.00 0.00 O ATOM 973 OD2 ASP A 62 11.522 -2.973 -10.320 1.00 0.00 O ATOM 0 H ASP A 62 8.517 -5.711 -7.671 1.00 0.00 H new ATOM 0 HA ASP A 62 11.388 -5.866 -8.174 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.781 -3.481 -8.674 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.927 -3.197 -7.379 1.00 0.00 H new ATOM 978 N VAL A 63 11.639 -5.759 -5.687 1.00 0.00 N ATOM 979 CA VAL A 63 11.762 -5.827 -4.241 1.00 0.00 C ATOM 980 C VAL A 63 13.235 -6.008 -3.866 1.00 0.00 C ATOM 981 O VAL A 63 13.801 -7.082 -4.059 1.00 0.00 O ATOM 982 CB VAL A 63 10.865 -6.939 -3.691 1.00 0.00 C ATOM 983 CG1 VAL A 63 11.104 -8.254 -4.435 1.00 0.00 C ATOM 984 CG2 VAL A 63 11.071 -7.115 -2.186 1.00 0.00 C ATOM 0 H VAL A 63 12.449 -6.105 -6.201 1.00 0.00 H new ATOM 0 HA VAL A 63 11.422 -4.897 -3.785 1.00 0.00 H new ATOM 0 HB VAL A 63 9.828 -6.645 -3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.454 -9.027 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.883 -8.118 -5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.145 -8.555 -4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.422 -7.911 -1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 63 12.111 -7.376 -1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.827 -6.184 -1.674 1.00 0.00 H new ATOM 994 N GLU A 64 13.813 -4.939 -3.338 1.00 0.00 N ATOM 995 CA GLU A 64 15.209 -4.966 -2.935 1.00 0.00 C ATOM 996 C GLU A 64 15.465 -3.929 -1.839 1.00 0.00 C ATOM 997 O GLU A 64 15.528 -2.732 -2.115 1.00 0.00 O ATOM 998 CB GLU A 64 16.130 -4.735 -4.134 1.00 0.00 C ATOM 999 CG GLU A 64 17.597 -4.922 -3.742 1.00 0.00 C ATOM 1000 CD GLU A 64 18.165 -6.209 -4.343 1.00 0.00 C ATOM 1001 OE1 GLU A 64 17.445 -7.229 -4.285 1.00 0.00 O ATOM 1002 OE2 GLU A 64 19.307 -6.144 -4.848 1.00 0.00 O ATOM 0 H GLU A 64 13.340 -4.049 -3.180 1.00 0.00 H new ATOM 0 HA GLU A 64 15.432 -5.954 -2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.872 -5.429 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.980 -3.728 -4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.181 -4.068 -4.085 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.686 -4.953 -2.656 1.00 0.00 H new ATOM 1009 N ARG A 65 15.604 -4.427 -0.619 1.00 0.00 N ATOM 1010 CA ARG A 65 15.852 -3.558 0.520 1.00 0.00 C ATOM 1011 C ARG A 65 14.753 -2.499 0.628 1.00 0.00 C ATOM 1012 O ARG A 65 13.951 -2.335 -0.290 1.00 0.00 O ATOM 1013 CB ARG A 65 17.210 -2.864 0.398 1.00 0.00 C ATOM 1014 CG ARG A 65 18.154 -3.308 1.517 1.00 0.00 C ATOM 1015 CD ARG A 65 19.076 -4.434 1.042 1.00 0.00 C ATOM 1016 NE ARG A 65 20.464 -4.170 1.482 1.00 0.00 N ATOM 1017 CZ ARG A 65 21.290 -3.301 0.882 1.00 0.00 C ATOM 1018 NH1 ARG A 65 20.871 -2.607 -0.185 1.00 0.00 N ATOM 1019 NH2 ARG A 65 22.533 -3.127 1.349 1.00 0.00 N ATOM 0 H ARG A 65 15.550 -5.420 -0.394 1.00 0.00 H new ATOM 0 HA ARG A 65 15.853 -4.178 1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.654 -3.094 -0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.075 -1.783 0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.752 -2.460 1.851 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.573 -3.646 2.375 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.734 -5.389 1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.039 -4.512 -0.045 1.00 0.00 H new ATOM 0 HE ARG A 65 20.814 -4.681 2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.924 -2.740 -0.540 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.499 -1.946 -0.642 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.851 -3.656 2.161 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.161 -2.466 0.892 1.00 0.00 H new ATOM 1033 N PRO A 66 14.752 -1.789 1.788 1.00 0.00 N ATOM 1034 CA PRO A 66 13.765 -0.749 2.028 1.00 0.00 C ATOM 1035 C PRO A 66 14.085 0.508 1.218 1.00 0.00 C ATOM 1036 O PRO A 66 14.485 1.527 1.779 1.00 0.00 O ATOM 1037 CB PRO A 66 13.800 -0.514 3.529 1.00 0.00 C ATOM 1038 CG PRO A 66 15.121 -1.090 4.011 1.00 0.00 C ATOM 1039 CD PRO A 66 15.687 -1.955 2.897 1.00 0.00 C ATOM 0 HA PRO A 66 12.764 -1.036 1.706 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.730 0.549 3.759 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.959 -1.002 4.020 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.817 -0.290 4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.973 -1.681 4.915 1.00 0.00 H new ATOM 0 HD2 PRO A 66 16.692 -1.636 2.619 1.00 0.00 H new ATOM 0 HD3 PRO A 66 15.757 -2.999 3.203 1.00 0.00 H new ATOM 1047 N ILE A 67 13.897 0.395 -0.089 1.00 0.00 N ATOM 1048 CA ILE A 67 14.161 1.511 -0.982 1.00 0.00 C ATOM 1049 C ILE A 67 13.188 1.456 -2.161 1.00 0.00 C ATOM 1050 O ILE A 67 12.593 2.468 -2.528 1.00 0.00 O ATOM 1051 CB ILE A 67 15.633 1.526 -1.400 1.00 0.00 C ATOM 1052 CG1 ILE A 67 16.048 0.180 -1.997 1.00 0.00 C ATOM 1053 CG2 ILE A 67 16.530 1.936 -0.231 1.00 0.00 C ATOM 1054 CD1 ILE A 67 15.978 0.214 -3.525 1.00 0.00 C ATOM 0 H ILE A 67 13.565 -0.452 -0.551 1.00 0.00 H new ATOM 0 HA ILE A 67 13.989 2.458 -0.470 1.00 0.00 H new ATOM 0 HB ILE A 67 15.759 2.276 -2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 67 17.062 -0.065 -1.681 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.397 -0.607 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 67 17.571 1.939 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.253 2.934 0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.407 1.228 0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 67 16.278 -0.755 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 67 14.958 0.435 -3.838 1.00 0.00 H new ATOM 0 HD13 ILE A 67 16.649 0.986 -3.903 1.00 0.00 H new ATOM 1066 N LYS A 68 13.055 0.263 -2.723 1.00 0.00 N ATOM 1067 CA LYS A 68 12.164 0.062 -3.853 1.00 0.00 C ATOM 1068 C LYS A 68 11.398 -1.249 -3.666 1.00 0.00 C ATOM 1069 O LYS A 68 12.003 -2.309 -3.514 1.00 0.00 O ATOM 1070 CB LYS A 68 12.941 0.139 -5.168 1.00 0.00 C ATOM 1071 CG LYS A 68 11.993 0.110 -6.368 1.00 0.00 C ATOM 1072 CD LYS A 68 12.259 1.289 -7.306 1.00 0.00 C ATOM 1073 CE LYS A 68 12.337 0.825 -8.762 1.00 0.00 C ATOM 1074 NZ LYS A 68 13.455 1.497 -9.461 1.00 0.00 N ATOM 0 H LYS A 68 13.550 -0.575 -2.416 1.00 0.00 H new ATOM 0 HA LYS A 68 11.423 0.860 -3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.534 1.053 -5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.639 -0.696 -5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.117 -0.827 -6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.960 0.143 -6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.467 2.030 -7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.192 1.778 -7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.475 -0.256 -8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.398 1.044 -9.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.494 1.171 -10.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.308 2.526 -9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.351 1.267 -8.985 1.00 0.00 H new ATOM 1088 N LEU A 69 10.078 -1.134 -3.685 1.00 0.00 N ATOM 1089 CA LEU A 69 9.224 -2.298 -3.520 1.00 0.00 C ATOM 1090 C LEU A 69 7.948 -2.109 -4.344 1.00 0.00 C ATOM 1091 O LEU A 69 7.263 -1.097 -4.210 1.00 0.00 O ATOM 1092 CB LEU A 69 8.963 -2.565 -2.036 1.00 0.00 C ATOM 1093 CG LEU A 69 8.240 -3.873 -1.707 1.00 0.00 C ATOM 1094 CD1 LEU A 69 9.203 -5.060 -1.763 1.00 0.00 C ATOM 1095 CD2 LEU A 69 7.523 -3.779 -0.359 1.00 0.00 C ATOM 0 H LEU A 69 9.579 -0.253 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 69 9.720 -3.192 -3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.919 -2.560 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.376 -1.738 -1.636 1.00 0.00 H new ATOM 0 HG LEU A 69 7.476 -4.042 -2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.664 -5.977 -1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.627 -5.137 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.005 -4.912 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.017 -4.722 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.250 -3.575 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.790 -2.973 -0.392 1.00 0.00 H new ATOM 1107 N SER A 70 7.669 -3.100 -5.178 1.00 0.00 N ATOM 1108 CA SER A 70 6.489 -3.056 -6.024 1.00 0.00 C ATOM 1109 C SER A 70 5.886 -4.456 -6.154 1.00 0.00 C ATOM 1110 O SER A 70 6.601 -5.454 -6.074 1.00 0.00 O ATOM 1111 CB SER A 70 6.822 -2.492 -7.406 1.00 0.00 C ATOM 1112 OG SER A 70 5.691 -1.879 -8.020 1.00 0.00 O ATOM 0 H SER A 70 8.240 -3.938 -5.286 1.00 0.00 H new ATOM 0 HA SER A 70 5.759 -2.394 -5.558 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.626 -1.761 -7.315 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.191 -3.294 -8.045 1.00 0.00 H new ATOM 0 HG SER A 70 4.962 -1.812 -7.369 1.00 0.00 H new ATOM 1118 N PHE A 71 4.576 -4.486 -6.352 1.00 0.00 N ATOM 1119 CA PHE A 71 3.869 -5.747 -6.494 1.00 0.00 C ATOM 1120 C PHE A 71 2.562 -5.559 -7.268 1.00 0.00 C ATOM 1121 O PHE A 71 1.853 -4.575 -7.066 1.00 0.00 O ATOM 1122 CB PHE A 71 3.545 -6.240 -5.082 1.00 0.00 C ATOM 1123 CG PHE A 71 2.320 -5.571 -4.455 1.00 0.00 C ATOM 1124 CD1 PHE A 71 2.456 -4.394 -3.786 1.00 0.00 C ATOM 1125 CD2 PHE A 71 1.096 -6.152 -4.567 1.00 0.00 C ATOM 1126 CE1 PHE A 71 1.319 -3.773 -3.204 1.00 0.00 C ATOM 1127 CE2 PHE A 71 -0.041 -5.531 -3.985 1.00 0.00 C ATOM 1128 CZ PHE A 71 0.095 -4.355 -3.316 1.00 0.00 C ATOM 0 H PHE A 71 3.986 -3.657 -6.417 1.00 0.00 H new ATOM 0 HA PHE A 71 4.486 -6.459 -7.042 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.382 -7.317 -5.113 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.409 -6.067 -4.441 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.428 -3.932 -3.698 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.988 -7.086 -5.099 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.426 -2.839 -2.673 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.013 -5.993 -4.074 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.770 -3.883 -2.873 1.00 0.00 H new ATOM 1138 N THR A 72 2.284 -6.519 -8.138 1.00 0.00 N ATOM 1139 CA THR A 72 1.075 -6.472 -8.943 1.00 0.00 C ATOM 1140 C THR A 72 -0.105 -7.061 -8.168 1.00 0.00 C ATOM 1141 O THR A 72 0.080 -7.919 -7.306 1.00 0.00 O ATOM 1142 CB THR A 72 1.358 -7.193 -10.262 1.00 0.00 C ATOM 1143 OG1 THR A 72 1.767 -8.498 -9.864 1.00 0.00 O ATOM 1144 CG2 THR A 72 2.578 -6.626 -10.991 1.00 0.00 C ATOM 0 H THR A 72 2.875 -7.334 -8.303 1.00 0.00 H new ATOM 0 HA THR A 72 0.791 -5.445 -9.172 1.00 0.00 H new ATOM 0 HB THR A 72 0.484 -7.121 -10.909 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.744 -8.563 -9.911 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.734 -7.174 -11.920 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.411 -5.572 -11.214 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.460 -6.727 -10.358 1.00 0.00 H new ATOM 1152 N TRP A 73 -1.292 -6.578 -8.504 1.00 0.00 N ATOM 1153 CA TRP A 73 -2.502 -7.046 -7.850 1.00 0.00 C ATOM 1154 C TRP A 73 -3.642 -6.989 -8.869 1.00 0.00 C ATOM 1155 O TRP A 73 -3.858 -5.959 -9.507 1.00 0.00 O ATOM 1156 CB TRP A 73 -2.791 -6.237 -6.584 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.189 -6.463 -6.006 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -4.960 -7.554 -6.115 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -4.955 -5.528 -5.218 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -6.163 -7.390 -5.458 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -6.160 -6.119 -4.895 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -4.641 -4.226 -4.792 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -7.146 -5.482 -4.133 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -5.637 -3.603 -4.031 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -6.855 -4.184 -3.697 1.00 0.00 C ATOM 0 H TRP A 73 -1.442 -5.868 -9.220 1.00 0.00 H new ATOM 0 HA TRP A 73 -2.385 -8.077 -7.515 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -2.050 -6.491 -5.826 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -2.668 -5.177 -6.807 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -4.676 -8.449 -6.649 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -6.916 -8.076 -5.397 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -3.705 -3.744 -5.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -8.081 -5.966 -3.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -5.446 -2.600 -3.678 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -7.573 -3.637 -3.104 1.00 0.00 H new ATOM 1176 N ASP A 74 -4.342 -8.107 -8.991 1.00 0.00 N ATOM 1177 CA ASP A 74 -5.454 -8.197 -9.921 1.00 0.00 C ATOM 1178 C ASP A 74 -4.933 -8.030 -11.350 1.00 0.00 C ATOM 1179 O ASP A 74 -3.839 -7.509 -11.558 1.00 0.00 O ATOM 1180 CB ASP A 74 -6.481 -7.093 -9.660 1.00 0.00 C ATOM 1181 CG ASP A 74 -6.804 -6.847 -8.185 1.00 0.00 C ATOM 1182 OD1 ASP A 74 -7.512 -7.701 -7.609 1.00 0.00 O ATOM 1183 OD2 ASP A 74 -6.336 -5.810 -7.667 1.00 0.00 O ATOM 0 H ASP A 74 -4.160 -8.959 -8.460 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.928 -9.169 -9.787 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.113 -6.164 -10.096 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.404 -7.345 -10.182 1.00 0.00 H new ATOM 1188 N THR A 75 -5.742 -8.481 -12.297 1.00 0.00 N ATOM 1189 CA THR A 75 -5.376 -8.387 -13.700 1.00 0.00 C ATOM 1190 C THR A 75 -6.283 -7.389 -14.422 1.00 0.00 C ATOM 1191 O THR A 75 -6.792 -7.677 -15.504 1.00 0.00 O ATOM 1192 CB THR A 75 -5.427 -9.795 -14.297 1.00 0.00 C ATOM 1193 OG1 THR A 75 -5.358 -9.579 -15.704 1.00 0.00 O ATOM 1194 CG2 THR A 75 -6.784 -10.471 -14.090 1.00 0.00 C ATOM 0 H THR A 75 -6.649 -8.912 -12.121 1.00 0.00 H new ATOM 0 HA THR A 75 -4.363 -8.003 -13.819 1.00 0.00 H new ATOM 0 HB THR A 75 -4.645 -10.407 -13.848 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.209 -9.211 -16.021 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.766 -11.467 -14.533 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.991 -10.552 -13.023 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.563 -9.876 -14.567 1.00 0.00 H new ATOM 1202 N ASP A 76 -6.456 -6.235 -13.795 1.00 0.00 N ATOM 1203 CA ASP A 76 -7.292 -5.192 -14.364 1.00 0.00 C ATOM 1204 C ASP A 76 -6.406 -4.046 -14.857 1.00 0.00 C ATOM 1205 O ASP A 76 -6.829 -3.241 -15.685 1.00 0.00 O ATOM 1206 CB ASP A 76 -8.257 -4.627 -13.319 1.00 0.00 C ATOM 1207 CG ASP A 76 -7.682 -4.509 -11.906 1.00 0.00 C ATOM 1208 OD1 ASP A 76 -6.565 -3.960 -11.792 1.00 0.00 O ATOM 1209 OD2 ASP A 76 -8.373 -4.969 -10.972 1.00 0.00 O ATOM 0 H ASP A 76 -6.031 -5.999 -12.898 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.863 -5.628 -15.184 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.585 -3.640 -13.645 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.142 -5.262 -13.283 1.00 0.00 H new ATOM 1214 N GLY A 77 -5.192 -4.008 -14.326 1.00 0.00 N ATOM 1215 CA GLY A 77 -4.243 -2.975 -14.702 1.00 0.00 C ATOM 1216 C GLY A 77 -3.956 -2.040 -13.525 1.00 0.00 C ATOM 1217 O GLY A 77 -3.683 -0.856 -13.720 1.00 0.00 O ATOM 0 H GLY A 77 -4.845 -4.676 -13.638 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.315 -3.435 -15.041 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.638 -2.400 -15.540 1.00 0.00 H new ATOM 1221 N TRP A 78 -4.028 -2.606 -12.329 1.00 0.00 N ATOM 1222 CA TRP A 78 -3.780 -1.839 -11.121 1.00 0.00 C ATOM 1223 C TRP A 78 -2.429 -2.277 -10.552 1.00 0.00 C ATOM 1224 O TRP A 78 -2.156 -3.471 -10.444 1.00 0.00 O ATOM 1225 CB TRP A 78 -4.929 -1.998 -10.124 1.00 0.00 C ATOM 1226 CG TRP A 78 -6.151 -1.132 -10.439 1.00 0.00 C ATOM 1227 CD1 TRP A 78 -6.476 -0.557 -11.604 1.00 0.00 C ATOM 1228 CD2 TRP A 78 -7.203 -0.764 -9.522 1.00 0.00 C ATOM 1229 NE1 TRP A 78 -7.656 0.152 -11.507 1.00 0.00 N ATOM 1230 CE2 TRP A 78 -8.112 0.022 -10.200 1.00 0.00 C ATOM 1231 CE3 TRP A 78 -7.381 -1.085 -8.165 1.00 0.00 C ATOM 1232 CZ2 TRP A 78 -9.262 0.552 -9.603 1.00 0.00 C ATOM 1233 CZ3 TRP A 78 -8.535 -0.547 -7.583 1.00 0.00 C ATOM 1234 CH2 TRP A 78 -9.460 0.246 -8.252 1.00 0.00 C ATOM 0 H TRP A 78 -4.255 -3.588 -12.171 1.00 0.00 H new ATOM 0 HA TRP A 78 -3.735 -0.773 -11.344 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.234 -3.044 -10.101 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.568 -1.749 -9.126 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.888 -0.638 -12.506 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -8.110 0.675 -12.256 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.683 -1.698 -7.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -9.959 1.164 -10.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.719 -0.763 -6.541 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -10.327 0.624 -7.732 1.00 0.00 H new ATOM 1245 N SER A 79 -1.621 -1.287 -10.202 1.00 0.00 N ATOM 1246 CA SER A 79 -0.306 -1.556 -9.646 1.00 0.00 C ATOM 1247 C SER A 79 0.072 -0.464 -8.644 1.00 0.00 C ATOM 1248 O SER A 79 -0.235 0.709 -8.853 1.00 0.00 O ATOM 1249 CB SER A 79 0.749 -1.652 -10.750 1.00 0.00 C ATOM 1250 OG SER A 79 0.331 -1.001 -11.946 1.00 0.00 O ATOM 0 H SER A 79 -1.852 -0.298 -10.293 1.00 0.00 H new ATOM 0 HA SER A 79 -0.342 -2.516 -9.131 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.680 -1.206 -10.401 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.957 -2.701 -10.962 1.00 0.00 H new ATOM 0 HG SER A 79 1.032 -1.083 -12.625 1.00 0.00 H new ATOM 1256 N VAL A 80 0.733 -0.887 -7.576 1.00 0.00 N ATOM 1257 CA VAL A 80 1.156 0.041 -6.541 1.00 0.00 C ATOM 1258 C VAL A 80 2.625 -0.215 -6.202 1.00 0.00 C ATOM 1259 O VAL A 80 3.074 -1.361 -6.193 1.00 0.00 O ATOM 1260 CB VAL A 80 0.233 -0.075 -5.326 1.00 0.00 C ATOM 1261 CG1 VAL A 80 0.279 -1.486 -4.735 1.00 0.00 C ATOM 1262 CG2 VAL A 80 0.585 0.974 -4.269 1.00 0.00 C ATOM 0 H VAL A 80 0.986 -1.860 -7.405 1.00 0.00 H new ATOM 0 HA VAL A 80 1.079 1.069 -6.895 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.787 0.115 -5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.386 -1.541 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.042 -2.206 -5.487 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.298 -1.717 -4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.086 0.870 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.614 0.829 -3.941 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.477 1.971 -4.696 1.00 0.00 H new ATOM 1272 N THR A 81 3.335 0.870 -5.932 1.00 0.00 N ATOM 1273 CA THR A 81 4.745 0.778 -5.593 1.00 0.00 C ATOM 1274 C THR A 81 5.019 1.467 -4.255 1.00 0.00 C ATOM 1275 O THR A 81 4.482 2.540 -3.984 1.00 0.00 O ATOM 1276 CB THR A 81 5.550 1.365 -6.755 1.00 0.00 C ATOM 1277 OG1 THR A 81 5.074 0.660 -7.898 1.00 0.00 O ATOM 1278 CG2 THR A 81 7.034 0.999 -6.683 1.00 0.00 C ATOM 0 H THR A 81 2.960 1.819 -5.941 1.00 0.00 H new ATOM 0 HA THR A 81 5.052 -0.259 -5.457 1.00 0.00 H new ATOM 0 HB THR A 81 5.443 2.450 -6.759 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.641 -0.123 -8.059 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.559 1.440 -7.530 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.458 1.381 -5.754 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.143 -0.085 -6.713 1.00 0.00 H new ATOM 1286 N PHE A 82 5.853 0.822 -3.453 1.00 0.00 N ATOM 1287 CA PHE A 82 6.204 1.359 -2.150 1.00 0.00 C ATOM 1288 C PHE A 82 7.659 1.832 -2.126 1.00 0.00 C ATOM 1289 O PHE A 82 8.549 1.140 -2.617 1.00 0.00 O ATOM 1290 CB PHE A 82 6.033 0.225 -1.137 1.00 0.00 C ATOM 1291 CG PHE A 82 4.600 -0.303 -1.031 1.00 0.00 C ATOM 1292 CD1 PHE A 82 3.554 0.566 -1.033 1.00 0.00 C ATOM 1293 CD2 PHE A 82 4.374 -1.640 -0.933 1.00 0.00 C ATOM 1294 CE1 PHE A 82 2.225 0.077 -0.934 1.00 0.00 C ATOM 1295 CE2 PHE A 82 3.045 -2.129 -0.834 1.00 0.00 C ATOM 1296 CZ PHE A 82 1.998 -1.261 -0.836 1.00 0.00 C ATOM 0 H PHE A 82 6.296 -0.068 -3.681 1.00 0.00 H new ATOM 0 HA PHE A 82 5.568 2.213 -1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.693 -0.597 -1.413 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.354 0.576 -0.156 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.734 1.628 -1.110 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.205 -2.330 -0.930 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.394 0.767 -0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.865 -3.191 -0.757 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.987 -1.633 -0.760 1.00 0.00 H new ATOM 1306 N HIS A 83 7.856 3.009 -1.550 1.00 0.00 N ATOM 1307 CA HIS A 83 9.187 3.583 -1.455 1.00 0.00 C ATOM 1308 C HIS A 83 9.494 3.929 0.003 1.00 0.00 C ATOM 1309 O HIS A 83 8.836 4.783 0.594 1.00 0.00 O ATOM 1310 CB HIS A 83 9.328 4.784 -2.392 1.00 0.00 C ATOM 1311 CG HIS A 83 9.529 4.412 -3.842 1.00 0.00 C ATOM 1312 ND1 HIS A 83 10.767 4.441 -4.459 1.00 0.00 N ATOM 1313 CD2 HIS A 83 8.636 4.003 -4.788 1.00 0.00 C ATOM 1314 CE1 HIS A 83 10.614 4.064 -5.720 1.00 0.00 C ATOM 1315 NE2 HIS A 83 9.293 3.794 -5.922 1.00 0.00 N ATOM 0 H HIS A 83 7.115 3.581 -1.144 1.00 0.00 H new ATOM 0 HA HIS A 83 9.927 2.852 -1.782 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.436 5.405 -2.307 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.171 5.391 -2.063 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.574 3.871 -4.640 1.00 0.00 H new ATOM 0 HE1 HIS A 83 11.398 3.985 -6.458 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.878 3.483 -6.800 1.00 0.00 H new ATOM 1323 N LEU A 84 10.496 3.248 0.541 1.00 0.00 N ATOM 1324 CA LEU A 84 10.899 3.473 1.919 1.00 0.00 C ATOM 1325 C LEU A 84 12.228 4.230 1.940 1.00 0.00 C ATOM 1326 O LEU A 84 12.937 4.275 0.936 1.00 0.00 O ATOM 1327 CB LEU A 84 10.932 2.152 2.689 1.00 0.00 C ATOM 1328 CG LEU A 84 9.571 1.547 3.043 1.00 0.00 C ATOM 1329 CD1 LEU A 84 9.182 0.453 2.047 1.00 0.00 C ATOM 1330 CD2 LEU A 84 9.554 1.040 4.486 1.00 0.00 C ATOM 0 H LEU A 84 11.040 2.541 0.047 1.00 0.00 H new ATOM 0 HA LEU A 84 10.168 4.097 2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.488 1.424 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.490 2.307 3.613 1.00 0.00 H new ATOM 0 HG LEU A 84 8.819 2.333 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.211 0.040 2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.126 0.877 1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.931 -0.338 2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.576 0.615 4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.320 0.274 4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.755 1.869 5.165 1.00 0.00 H new ATOM 1342 N LYS A 85 12.525 4.808 3.095 1.00 0.00 N ATOM 1343 CA LYS A 85 13.756 5.561 3.260 1.00 0.00 C ATOM 1344 C LYS A 85 13.890 5.997 4.720 1.00 0.00 C ATOM 1345 O LYS A 85 13.091 6.793 5.210 1.00 0.00 O ATOM 1346 CB LYS A 85 13.812 6.721 2.264 1.00 0.00 C ATOM 1347 CG LYS A 85 12.599 7.640 2.423 1.00 0.00 C ATOM 1348 CD LYS A 85 12.180 8.233 1.077 1.00 0.00 C ATOM 1349 CE LYS A 85 12.708 9.660 0.918 1.00 0.00 C ATOM 1350 NZ LYS A 85 11.616 10.641 1.107 1.00 0.00 N ATOM 0 H LYS A 85 11.934 4.770 3.925 1.00 0.00 H new ATOM 0 HA LYS A 85 14.619 4.935 3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.728 7.292 2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 85 13.846 6.330 1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.768 7.080 2.852 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.836 8.443 3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.558 7.609 0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.093 8.233 0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.500 9.844 1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.148 9.783 -0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.708 11.402 0.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.698 10.167 0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.674 11.045 2.064 1.00 0.00 H new ATOM 1364 N GLU A 86 14.907 5.457 5.375 1.00 0.00 N ATOM 1365 CA GLU A 86 15.156 5.780 6.769 1.00 0.00 C ATOM 1366 C GLU A 86 15.648 7.223 6.900 1.00 0.00 C ATOM 1367 O GLU A 86 16.647 7.600 6.290 1.00 0.00 O ATOM 1368 CB GLU A 86 16.157 4.802 7.389 1.00 0.00 C ATOM 1369 CG GLU A 86 15.799 4.502 8.846 1.00 0.00 C ATOM 1370 CD GLU A 86 16.791 5.168 9.802 1.00 0.00 C ATOM 1371 OE1 GLU A 86 17.501 6.085 9.335 1.00 0.00 O ATOM 1372 OE2 GLU A 86 16.816 4.746 10.978 1.00 0.00 O ATOM 0 H GLU A 86 15.569 4.797 4.966 1.00 0.00 H new ATOM 0 HA GLU A 86 14.218 5.685 7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.169 3.875 6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.161 5.222 7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.790 4.857 9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.798 3.424 9.010 1.00 0.00 H new ATOM 1379 N GLU A 87 14.923 7.991 7.700 1.00 0.00 N ATOM 1380 CA GLU A 87 15.273 9.385 7.918 1.00 0.00 C ATOM 1381 C GLU A 87 16.094 9.531 9.201 1.00 0.00 C ATOM 1382 O GLU A 87 16.557 8.539 9.762 1.00 0.00 O ATOM 1383 CB GLU A 87 14.021 10.263 7.966 1.00 0.00 C ATOM 1384 CG GLU A 87 13.885 11.093 6.688 1.00 0.00 C ATOM 1385 CD GLU A 87 14.137 10.235 5.447 1.00 0.00 C ATOM 1386 OE1 GLU A 87 14.046 8.996 5.586 1.00 0.00 O ATOM 1387 OE2 GLU A 87 14.415 10.837 4.388 1.00 0.00 O ATOM 0 H GLU A 87 14.095 7.675 8.205 1.00 0.00 H new ATOM 0 HA GLU A 87 15.882 9.722 7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.138 9.637 8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.069 10.925 8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.887 11.528 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.593 11.922 6.711 1.00 0.00 H new ATOM 1394 N GLU A 88 16.251 10.776 9.627 1.00 0.00 N ATOM 1395 CA GLU A 88 17.008 11.064 10.833 1.00 0.00 C ATOM 1396 C GLU A 88 16.679 10.044 11.924 1.00 0.00 C ATOM 1397 O GLU A 88 17.360 9.028 12.054 1.00 0.00 O ATOM 1398 CB GLU A 88 16.744 12.491 11.318 1.00 0.00 C ATOM 1399 CG GLU A 88 17.803 13.457 10.784 1.00 0.00 C ATOM 1400 CD GLU A 88 18.965 13.597 11.770 1.00 0.00 C ATOM 1401 OE1 GLU A 88 18.721 14.164 12.857 1.00 0.00 O ATOM 1402 OE2 GLU A 88 20.070 13.134 11.415 1.00 0.00 O ATOM 0 H GLU A 88 15.867 11.596 9.158 1.00 0.00 H new ATOM 0 HA GLU A 88 18.070 10.985 10.599 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.755 12.813 10.991 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.742 12.514 12.408 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.177 13.099 9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.353 14.434 10.606 1.00 0.00 H new ATOM 1409 N ASN A 89 15.635 10.350 12.680 1.00 0.00 N ATOM 1410 CA ASN A 89 15.207 9.472 13.756 1.00 0.00 C ATOM 1411 C ASN A 89 13.792 8.968 13.464 1.00 0.00 C ATOM 1412 O ASN A 89 12.888 9.135 14.282 1.00 0.00 O ATOM 1413 CB ASN A 89 15.178 10.214 15.093 1.00 0.00 C ATOM 1414 CG ASN A 89 16.544 10.160 15.780 1.00 0.00 C ATOM 1415 OD1 ASN A 89 17.320 9.234 15.604 1.00 0.00 O ATOM 1416 ND2 ASN A 89 16.794 11.200 16.570 1.00 0.00 N ATOM 0 H ASN A 89 15.073 11.194 12.569 1.00 0.00 H new ATOM 0 HA ASN A 89 15.914 8.645 13.818 1.00 0.00 H new ATOM 0 HB2 ASN A 89 14.890 11.252 14.930 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.423 9.771 15.742 1.00 0.00 H new ATOM 0 HD21 ASN A 89 17.679 11.257 17.073 1.00 0.00 H new ATOM 0 HD22 ASN A 89 16.101 11.941 16.672 1.00 0.00 H new ATOM 1423 N GLY A 90 13.643 8.360 12.296 1.00 0.00 N ATOM 1424 CA GLY A 90 12.354 7.831 11.886 1.00 0.00 C ATOM 1425 C GLY A 90 12.426 7.241 10.477 1.00 0.00 C ATOM 1426 O GLY A 90 13.434 7.391 9.788 1.00 0.00 O ATOM 0 H GLY A 90 14.395 8.222 11.620 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.032 7.063 12.589 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.606 8.623 11.914 1.00 0.00 H new ATOM 1430 N THR A 91 11.344 6.582 10.089 1.00 0.00 N ATOM 1431 CA THR A 91 11.272 5.968 8.774 1.00 0.00 C ATOM 1432 C THR A 91 10.257 6.705 7.897 1.00 0.00 C ATOM 1433 O THR A 91 9.194 7.101 8.371 1.00 0.00 O ATOM 1434 CB THR A 91 10.950 4.485 8.961 1.00 0.00 C ATOM 1435 OG1 THR A 91 12.071 3.973 9.676 1.00 0.00 O ATOM 1436 CG2 THR A 91 10.965 3.711 7.641 1.00 0.00 C ATOM 0 H THR A 91 10.510 6.460 10.663 1.00 0.00 H new ATOM 0 HA THR A 91 12.224 6.044 8.249 1.00 0.00 H new ATOM 0 HB THR A 91 9.971 4.383 9.430 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.827 3.842 10.616 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.730 2.664 7.831 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.222 4.132 6.964 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.953 3.785 7.187 1.00 0.00 H new ATOM 1444 N ILE A 92 10.622 6.865 6.633 1.00 0.00 N ATOM 1445 CA ILE A 92 9.756 7.547 5.686 1.00 0.00 C ATOM 1446 C ILE A 92 9.147 6.521 4.728 1.00 0.00 C ATOM 1447 O ILE A 92 9.871 5.764 4.082 1.00 0.00 O ATOM 1448 CB ILE A 92 10.516 8.672 4.980 1.00 0.00 C ATOM 1449 CG1 ILE A 92 11.112 9.651 5.994 1.00 0.00 C ATOM 1450 CG2 ILE A 92 9.623 9.379 3.958 1.00 0.00 C ATOM 1451 CD1 ILE A 92 10.011 10.385 6.761 1.00 0.00 C ATOM 0 H ILE A 92 11.505 6.534 6.243 1.00 0.00 H new ATOM 0 HA ILE A 92 8.928 8.029 6.206 1.00 0.00 H new ATOM 0 HB ILE A 92 11.348 8.231 4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 92 11.750 9.111 6.694 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.745 10.374 5.478 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.187 10.174 3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.287 8.661 3.210 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.758 9.806 4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.462 11.074 7.475 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.390 10.943 6.061 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.395 9.661 7.295 1.00 0.00 H new ATOM 1463 N PHE A 93 7.824 6.528 4.667 1.00 0.00 N ATOM 1464 CA PHE A 93 7.110 5.607 3.799 1.00 0.00 C ATOM 1465 C PHE A 93 6.280 6.365 2.760 1.00 0.00 C ATOM 1466 O PHE A 93 5.531 7.277 3.104 1.00 0.00 O ATOM 1467 CB PHE A 93 6.170 4.792 4.689 1.00 0.00 C ATOM 1468 CG PHE A 93 5.425 3.678 3.950 1.00 0.00 C ATOM 1469 CD1 PHE A 93 4.347 3.977 3.177 1.00 0.00 C ATOM 1470 CD2 PHE A 93 5.841 2.388 4.067 1.00 0.00 C ATOM 1471 CE1 PHE A 93 3.656 2.943 2.492 1.00 0.00 C ATOM 1472 CE2 PHE A 93 5.150 1.354 3.382 1.00 0.00 C ATOM 1473 CZ PHE A 93 4.072 1.653 2.609 1.00 0.00 C ATOM 0 H PHE A 93 7.227 7.157 5.205 1.00 0.00 H new ATOM 0 HA PHE A 93 7.818 4.972 3.266 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.747 4.352 5.502 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.441 5.464 5.142 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.016 5.001 3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.697 2.150 4.681 1.00 0.00 H new ATOM 0 HE1 PHE A 93 2.800 3.181 1.878 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.481 0.330 3.475 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.546 0.867 2.088 1.00 0.00 H new ATOM 1483 N THR A 94 6.443 5.958 1.509 1.00 0.00 N ATOM 1484 CA THR A 94 5.718 6.587 0.418 1.00 0.00 C ATOM 1485 C THR A 94 4.957 5.536 -0.392 1.00 0.00 C ATOM 1486 O THR A 94 5.472 4.448 -0.644 1.00 0.00 O ATOM 1487 CB THR A 94 6.721 7.388 -0.416 1.00 0.00 C ATOM 1488 OG1 THR A 94 6.947 8.567 0.352 1.00 0.00 O ATOM 1489 CG2 THR A 94 6.115 7.904 -1.722 1.00 0.00 C ATOM 0 H THR A 94 7.066 5.201 1.227 1.00 0.00 H new ATOM 0 HA THR A 94 4.960 7.276 0.791 1.00 0.00 H new ATOM 0 HB THR A 94 7.588 6.766 -0.639 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.588 9.144 -0.115 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.868 8.465 -2.276 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.776 7.061 -2.324 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.269 8.554 -1.499 1.00 0.00 H new ATOM 1497 N ILE A 95 3.742 5.898 -0.778 1.00 0.00 N ATOM 1498 CA ILE A 95 2.904 5.000 -1.554 1.00 0.00 C ATOM 1499 C ILE A 95 2.658 5.607 -2.937 1.00 0.00 C ATOM 1500 O ILE A 95 2.587 6.827 -3.080 1.00 0.00 O ATOM 1501 CB ILE A 95 1.620 4.671 -0.790 1.00 0.00 C ATOM 1502 CG1 ILE A 95 0.668 3.838 -1.651 1.00 0.00 C ATOM 1503 CG2 ILE A 95 0.953 5.943 -0.264 1.00 0.00 C ATOM 1504 CD1 ILE A 95 -0.300 4.737 -2.423 1.00 0.00 C ATOM 0 H ILE A 95 3.318 6.801 -0.568 1.00 0.00 H new ATOM 0 HA ILE A 95 3.409 4.046 -1.709 1.00 0.00 H new ATOM 0 HB ILE A 95 1.884 4.065 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.242 3.230 -2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.106 3.151 -1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.043 5.680 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.637 6.461 0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.704 6.596 -1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.966 4.121 -3.027 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.889 5.326 -1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.264 5.406 -3.073 1.00 0.00 H new ATOM 1516 N VAL A 96 2.534 4.728 -3.920 1.00 0.00 N ATOM 1517 CA VAL A 96 2.298 5.161 -5.287 1.00 0.00 C ATOM 1518 C VAL A 96 1.374 4.160 -5.982 1.00 0.00 C ATOM 1519 O VAL A 96 1.753 3.011 -6.204 1.00 0.00 O ATOM 1520 CB VAL A 96 3.631 5.350 -6.014 1.00 0.00 C ATOM 1521 CG1 VAL A 96 3.417 5.964 -7.399 1.00 0.00 C ATOM 1522 CG2 VAL A 96 4.594 6.198 -5.181 1.00 0.00 C ATOM 0 H VAL A 96 2.593 3.717 -3.797 1.00 0.00 H new ATOM 0 HA VAL A 96 1.797 6.129 -5.300 1.00 0.00 H new ATOM 0 HB VAL A 96 4.082 4.367 -6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.380 6.088 -7.895 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.784 5.306 -7.995 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.934 6.936 -7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.534 6.317 -5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.153 7.178 -5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.783 5.704 -4.228 1.00 0.00 H new ATOM 1532 N HIS A 97 0.180 4.632 -6.307 1.00 0.00 N ATOM 1533 CA HIS A 97 -0.801 3.792 -6.973 1.00 0.00 C ATOM 1534 C HIS A 97 -1.256 4.464 -8.270 1.00 0.00 C ATOM 1535 O HIS A 97 -1.894 5.516 -8.238 1.00 0.00 O ATOM 1536 CB HIS A 97 -1.965 3.467 -6.034 1.00 0.00 C ATOM 1537 CG HIS A 97 -3.069 2.665 -6.680 1.00 0.00 C ATOM 1538 ND1 HIS A 97 -4.285 3.219 -7.043 1.00 0.00 N ATOM 1539 CD2 HIS A 97 -3.129 1.346 -7.025 1.00 0.00 C ATOM 1540 CE1 HIS A 97 -5.034 2.267 -7.580 1.00 0.00 C ATOM 1541 NE2 HIS A 97 -4.316 1.108 -7.568 1.00 0.00 N ATOM 0 H HIS A 97 -0.131 5.586 -6.122 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.347 2.837 -7.239 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.583 2.914 -5.176 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.382 4.399 -5.653 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -2.343 0.619 -6.881 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.037 2.388 -7.961 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.638 0.206 -7.919 1.00 0.00 H new ATOM 1549 N SER A 98 -0.911 3.829 -9.381 1.00 0.00 N ATOM 1550 CA SER A 98 -1.276 4.353 -10.686 1.00 0.00 C ATOM 1551 C SER A 98 -2.219 3.378 -11.396 1.00 0.00 C ATOM 1552 O SER A 98 -2.247 2.191 -11.075 1.00 0.00 O ATOM 1553 CB SER A 98 -0.035 4.609 -11.543 1.00 0.00 C ATOM 1554 OG SER A 98 0.889 5.481 -10.897 1.00 0.00 O ATOM 0 H SER A 98 -0.383 2.957 -9.404 1.00 0.00 H new ATOM 0 HA SER A 98 -1.788 5.305 -10.542 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.455 3.661 -11.764 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.336 5.042 -12.497 1.00 0.00 H new ATOM 0 HG SER A 98 1.668 5.619 -11.475 1.00 0.00 H new ATOM 1560 N GLY A 99 -2.968 3.917 -12.347 1.00 0.00 N ATOM 1561 CA GLY A 99 -3.910 3.110 -13.104 1.00 0.00 C ATOM 1562 C GLY A 99 -5.283 3.781 -13.164 1.00 0.00 C ATOM 1563 O GLY A 99 -6.276 3.214 -12.709 1.00 0.00 O ATOM 0 H GLY A 99 -2.942 4.902 -12.610 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.532 2.956 -14.115 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.002 2.126 -12.645 1.00 0.00 H new ATOM 1567 N TRP A 100 -5.297 4.980 -13.728 1.00 0.00 N ATOM 1568 CA TRP A 100 -6.532 5.734 -13.853 1.00 0.00 C ATOM 1569 C TRP A 100 -6.564 6.362 -15.248 1.00 0.00 C ATOM 1570 O TRP A 100 -5.571 6.320 -15.974 1.00 0.00 O ATOM 1571 CB TRP A 100 -6.660 6.766 -12.731 1.00 0.00 C ATOM 1572 CG TRP A 100 -6.342 6.215 -11.339 1.00 0.00 C ATOM 1573 CD1 TRP A 100 -5.152 6.164 -10.725 1.00 0.00 C ATOM 1574 CD2 TRP A 100 -7.281 5.636 -10.409 1.00 0.00 C ATOM 1575 NE1 TRP A 100 -5.255 5.596 -9.471 1.00 0.00 N ATOM 1576 CE2 TRP A 100 -6.591 5.265 -9.273 1.00 0.00 C ATOM 1577 CE3 TRP A 100 -8.667 5.433 -10.523 1.00 0.00 C ATOM 1578 CZ2 TRP A 100 -7.203 4.668 -8.164 1.00 0.00 C ATOM 1579 CZ3 TRP A 100 -9.264 4.836 -9.406 1.00 0.00 C ATOM 1580 CH2 TRP A 100 -8.584 4.456 -8.255 1.00 0.00 C ATOM 0 H TRP A 100 -4.472 5.448 -14.104 1.00 0.00 H new ATOM 0 HA TRP A 100 -7.396 5.078 -13.746 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -5.992 7.601 -12.941 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -7.675 7.163 -12.730 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.229 6.522 -11.157 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -4.492 5.447 -8.811 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -9.227 5.715 -11.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -6.640 4.386 -7.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -10.329 4.658 -9.441 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -9.118 3.999 -7.435 1.00 0.00 H new ATOM 1591 N LYS A 101 -7.714 6.928 -15.581 1.00 0.00 N ATOM 1592 CA LYS A 101 -7.888 7.563 -16.877 1.00 0.00 C ATOM 1593 C LYS A 101 -8.085 9.068 -16.680 1.00 0.00 C ATOM 1594 O LYS A 101 -7.959 9.574 -15.566 1.00 0.00 O ATOM 1595 CB LYS A 101 -9.021 6.891 -17.655 1.00 0.00 C ATOM 1596 CG LYS A 101 -8.666 5.443 -17.998 1.00 0.00 C ATOM 1597 CD LYS A 101 -9.731 4.816 -18.900 1.00 0.00 C ATOM 1598 CE LYS A 101 -9.091 4.130 -20.108 1.00 0.00 C ATOM 1599 NZ LYS A 101 -8.932 5.088 -21.225 1.00 0.00 N ATOM 0 H LYS A 101 -8.535 6.960 -14.976 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.994 7.435 -17.487 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.937 6.915 -17.064 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.218 7.448 -18.571 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.697 5.411 -18.497 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.572 4.861 -17.081 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.313 4.091 -18.332 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.424 5.586 -19.239 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.119 3.723 -19.829 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.709 3.291 -20.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.496 4.606 -22.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.864 5.457 -21.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.324 5.876 -20.923 1.00 0.00 H new ATOM 1613 N GLN A 102 -8.392 9.741 -17.779 1.00 0.00 N ATOM 1614 CA GLN A 102 -8.608 11.177 -17.742 1.00 0.00 C ATOM 1615 C GLN A 102 -9.703 11.523 -16.730 1.00 0.00 C ATOM 1616 O GLN A 102 -10.682 10.791 -16.594 1.00 0.00 O ATOM 1617 CB GLN A 102 -8.956 11.716 -19.131 1.00 0.00 C ATOM 1618 CG GLN A 102 -10.285 11.141 -19.625 1.00 0.00 C ATOM 1619 CD GLN A 102 -10.972 12.103 -20.596 1.00 0.00 C ATOM 1620 OE1 GLN A 102 -10.340 12.778 -21.392 1.00 0.00 O ATOM 1621 NE2 GLN A 102 -12.297 12.128 -20.487 1.00 0.00 N ATOM 0 H GLN A 102 -8.496 9.318 -18.701 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.682 11.656 -17.425 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -9.016 12.804 -19.098 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -8.162 11.462 -19.833 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -10.111 10.184 -20.118 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -10.940 10.947 -18.775 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -12.763 11.537 -19.799 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -12.847 12.738 -21.092 1.00 0.00 H new ATOM 1630 N GLY A 103 -9.500 12.639 -16.045 1.00 0.00 N ATOM 1631 CA GLY A 103 -10.457 13.090 -15.049 1.00 0.00 C ATOM 1632 C GLY A 103 -11.836 13.308 -15.674 1.00 0.00 C ATOM 1633 O GLY A 103 -12.196 14.433 -16.018 1.00 0.00 O ATOM 0 H GLY A 103 -8.687 13.244 -16.160 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.529 12.354 -14.249 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -10.107 14.018 -14.598 1.00 0.00 H new ATOM 1637 N ASP A 104 -12.572 12.213 -15.801 1.00 0.00 N ATOM 1638 CA ASP A 104 -13.904 12.270 -16.379 1.00 0.00 C ATOM 1639 C ASP A 104 -14.465 10.851 -16.497 1.00 0.00 C ATOM 1640 O ASP A 104 -15.368 10.472 -15.753 1.00 0.00 O ATOM 1641 CB ASP A 104 -13.872 12.884 -17.779 1.00 0.00 C ATOM 1642 CG ASP A 104 -14.699 14.160 -17.945 1.00 0.00 C ATOM 1643 OD1 ASP A 104 -15.208 14.645 -16.911 1.00 0.00 O ATOM 1644 OD2 ASP A 104 -14.804 14.623 -19.102 1.00 0.00 O ATOM 0 H ASP A 104 -12.271 11.282 -15.514 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.527 12.886 -15.730 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.837 13.104 -18.039 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -14.229 12.142 -18.493 1.00 0.00 H new ATOM 1649 N THR A 105 -13.905 10.105 -17.438 1.00 0.00 N ATOM 1650 CA THR A 105 -14.338 8.736 -17.664 1.00 0.00 C ATOM 1651 C THR A 105 -14.644 8.047 -16.333 1.00 0.00 C ATOM 1652 O THR A 105 -14.031 8.359 -15.313 1.00 0.00 O ATOM 1653 CB THR A 105 -13.256 8.027 -18.480 1.00 0.00 C ATOM 1654 OG1 THR A 105 -12.101 8.081 -17.647 1.00 0.00 O ATOM 1655 CG2 THR A 105 -12.852 8.815 -19.728 1.00 0.00 C ATOM 0 H THR A 105 -13.155 10.422 -18.053 1.00 0.00 H new ATOM 0 HA THR A 105 -15.268 8.704 -18.232 1.00 0.00 H new ATOM 0 HB THR A 105 -13.613 7.040 -18.774 1.00 0.00 H new ATOM 0 HG1 THR A 105 -11.310 8.265 -18.196 1.00 0.00 H new ATOM 0 HG21 THR A 105 -12.082 8.267 -20.271 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.722 8.950 -20.371 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.464 9.790 -19.433 1.00 0.00 H new ATOM 1663 N LYS A 106 -15.593 7.124 -16.385 1.00 0.00 N ATOM 1664 CA LYS A 106 -15.988 6.388 -15.196 1.00 0.00 C ATOM 1665 C LYS A 106 -15.286 5.029 -15.186 1.00 0.00 C ATOM 1666 O LYS A 106 -14.783 4.578 -16.214 1.00 0.00 O ATOM 1667 CB LYS A 106 -17.512 6.294 -15.106 1.00 0.00 C ATOM 1668 CG LYS A 106 -17.939 5.436 -13.914 1.00 0.00 C ATOM 1669 CD LYS A 106 -19.439 5.575 -13.647 1.00 0.00 C ATOM 1670 CE LYS A 106 -20.247 4.655 -14.565 1.00 0.00 C ATOM 1671 NZ LYS A 106 -21.061 3.712 -13.767 1.00 0.00 N ATOM 0 H LYS A 106 -16.100 6.869 -17.232 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.671 6.917 -14.297 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -17.936 7.293 -15.010 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -17.909 5.866 -16.027 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -17.696 4.391 -14.108 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -17.379 5.734 -13.028 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -19.651 5.333 -12.606 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -19.745 6.610 -13.802 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -20.895 5.251 -15.207 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -19.573 4.100 -15.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -21.603 3.095 -14.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -20.436 3.131 -13.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -21.717 4.246 -13.162 1.00 0.00 H new ATOM 1685 N VAL A 107 -15.274 4.414 -14.013 1.00 0.00 N ATOM 1686 CA VAL A 107 -14.642 3.115 -13.855 1.00 0.00 C ATOM 1687 C VAL A 107 -15.697 2.017 -14.009 1.00 0.00 C ATOM 1688 O VAL A 107 -16.850 2.202 -13.624 1.00 0.00 O ATOM 1689 CB VAL A 107 -13.903 3.051 -12.517 1.00 0.00 C ATOM 1690 CG1 VAL A 107 -13.530 1.609 -12.165 1.00 0.00 C ATOM 1691 CG2 VAL A 107 -12.666 3.950 -12.530 1.00 0.00 C ATOM 0 H VAL A 107 -15.692 4.791 -13.162 1.00 0.00 H new ATOM 0 HA VAL A 107 -13.893 2.958 -14.632 1.00 0.00 H new ATOM 0 HB VAL A 107 -14.577 3.421 -11.744 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.006 1.592 -11.209 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -14.435 1.006 -12.093 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -12.883 1.201 -12.941 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.159 3.886 -11.567 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.988 3.625 -13.319 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -12.968 4.981 -12.713 1.00 0.00 H new ATOM 1701 N GLU A 108 -15.263 0.899 -14.572 1.00 0.00 N ATOM 1702 CA GLU A 108 -16.156 -0.228 -14.781 1.00 0.00 C ATOM 1703 C GLU A 108 -15.760 -1.394 -13.873 1.00 0.00 C ATOM 1704 O GLU A 108 -15.561 -2.513 -14.345 1.00 0.00 O ATOM 1705 CB GLU A 108 -16.164 -0.656 -16.250 1.00 0.00 C ATOM 1706 CG GLU A 108 -14.747 -0.956 -16.742 1.00 0.00 C ATOM 1707 CD GLU A 108 -14.772 -1.573 -18.142 1.00 0.00 C ATOM 1708 OE1 GLU A 108 -14.969 -0.796 -19.101 1.00 0.00 O ATOM 1709 OE2 GLU A 108 -14.593 -2.808 -18.222 1.00 0.00 O ATOM 0 H GLU A 108 -14.305 0.749 -14.890 1.00 0.00 H new ATOM 0 HA GLU A 108 -17.168 0.082 -14.521 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -16.790 -1.540 -16.371 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -16.605 0.133 -16.860 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -14.161 -0.037 -16.756 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -14.254 -1.638 -16.049 1.00 0.00 H new ATOM 1716 N LYS A 109 -15.659 -1.093 -12.587 1.00 0.00 N ATOM 1717 CA LYS A 109 -15.291 -2.102 -11.609 1.00 0.00 C ATOM 1718 C LYS A 109 -15.405 -1.510 -10.203 1.00 0.00 C ATOM 1719 O LYS A 109 -16.337 -1.827 -9.465 1.00 0.00 O ATOM 1720 CB LYS A 109 -13.907 -2.675 -11.924 1.00 0.00 C ATOM 1721 CG LYS A 109 -13.807 -4.138 -11.489 1.00 0.00 C ATOM 1722 CD LYS A 109 -13.498 -5.045 -12.682 1.00 0.00 C ATOM 1723 CE LYS A 109 -13.657 -6.519 -12.305 1.00 0.00 C ATOM 1724 NZ LYS A 109 -15.079 -6.923 -12.379 1.00 0.00 N ATOM 0 H LYS A 109 -15.826 -0.164 -12.200 1.00 0.00 H new ATOM 0 HA LYS A 109 -15.979 -2.946 -11.657 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.712 -2.596 -12.993 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.142 -2.088 -11.416 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.027 -4.244 -10.735 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.743 -4.448 -11.025 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.165 -4.803 -13.509 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.481 -4.862 -13.029 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.062 -7.138 -12.976 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -13.278 -6.685 -11.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.169 -7.926 -12.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.639 -6.344 -11.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.430 -6.783 -13.348 1.00 0.00 H new ATOM 1738 N ALA A 110 -14.444 -0.659 -9.874 1.00 0.00 N ATOM 1739 CA ALA A 110 -14.425 -0.019 -8.570 1.00 0.00 C ATOM 1740 C ALA A 110 -15.850 0.383 -8.183 1.00 0.00 C ATOM 1741 O ALA A 110 -16.393 -0.115 -7.198 1.00 0.00 O ATOM 1742 CB ALA A 110 -13.471 1.177 -8.601 1.00 0.00 C ATOM 0 H ALA A 110 -13.673 -0.398 -10.488 1.00 0.00 H new ATOM 0 HA ALA A 110 -14.058 -0.709 -7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -13.457 1.657 -7.622 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -12.467 0.835 -8.852 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -13.809 1.892 -9.351 1.00 0.00 H new ATOM 1748 N GLY A 111 -16.415 1.279 -8.979 1.00 0.00 N ATOM 1749 CA GLY A 111 -17.766 1.753 -8.732 1.00 0.00 C ATOM 1750 C GLY A 111 -17.793 3.274 -8.571 1.00 0.00 C ATOM 1751 O GLY A 111 -17.130 3.821 -7.691 1.00 0.00 O ATOM 0 H GLY A 111 -15.962 1.689 -9.795 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -18.415 1.460 -9.557 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -18.162 1.282 -7.832 1.00 0.00 H new ATOM 1755 N ALA A 112 -18.566 3.915 -9.436 1.00 0.00 N ATOM 1756 CA ALA A 112 -18.688 5.363 -9.401 1.00 0.00 C ATOM 1757 C ALA A 112 -17.530 5.986 -10.182 1.00 0.00 C ATOM 1758 O ALA A 112 -16.489 5.356 -10.366 1.00 0.00 O ATOM 1759 CB ALA A 112 -18.732 5.836 -7.947 1.00 0.00 C ATOM 0 H ALA A 112 -19.114 3.458 -10.165 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.616 5.682 -9.876 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -18.823 6.922 -7.920 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -19.589 5.387 -7.444 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -17.815 5.537 -7.439 1.00 0.00 H new ATOM 1765 N GLU A 113 -17.749 7.217 -10.621 1.00 0.00 N ATOM 1766 CA GLU A 113 -16.736 7.933 -11.379 1.00 0.00 C ATOM 1767 C GLU A 113 -15.345 7.637 -10.816 1.00 0.00 C ATOM 1768 O GLU A 113 -15.197 7.365 -9.626 1.00 0.00 O ATOM 1769 CB GLU A 113 -17.017 9.437 -11.384 1.00 0.00 C ATOM 1770 CG GLU A 113 -18.252 9.761 -12.228 1.00 0.00 C ATOM 1771 CD GLU A 113 -17.850 10.297 -13.604 1.00 0.00 C ATOM 1772 OE1 GLU A 113 -17.422 9.466 -14.433 1.00 0.00 O ATOM 1773 OE2 GLU A 113 -17.980 11.526 -13.794 1.00 0.00 O ATOM 0 H GLU A 113 -18.613 7.737 -10.466 1.00 0.00 H new ATOM 0 HA GLU A 113 -16.770 7.587 -12.412 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -17.168 9.786 -10.362 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -16.152 9.971 -11.778 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -18.861 8.865 -12.346 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -18.867 10.498 -11.712 1.00 0.00 H new ATOM 1780 N SER A 114 -14.359 7.700 -11.699 1.00 0.00 N ATOM 1781 CA SER A 114 -12.984 7.442 -11.305 1.00 0.00 C ATOM 1782 C SER A 114 -12.523 8.494 -10.295 1.00 0.00 C ATOM 1783 O SER A 114 -11.868 8.166 -9.307 1.00 0.00 O ATOM 1784 CB SER A 114 -12.056 7.432 -12.522 1.00 0.00 C ATOM 1785 OG SER A 114 -11.103 6.374 -12.457 1.00 0.00 O ATOM 0 H SER A 114 -14.485 7.926 -12.686 1.00 0.00 H new ATOM 0 HA SER A 114 -12.940 6.457 -10.840 1.00 0.00 H new ATOM 0 HB2 SER A 114 -12.650 7.330 -13.430 1.00 0.00 H new ATOM 0 HB3 SER A 114 -11.534 8.387 -12.588 1.00 0.00 H new ATOM 0 HG SER A 114 -10.530 6.400 -13.252 1.00 0.00 H new ATOM 1791 N ALA A 115 -12.883 9.738 -10.577 1.00 0.00 N ATOM 1792 CA ALA A 115 -12.515 10.840 -9.705 1.00 0.00 C ATOM 1793 C ALA A 115 -13.137 10.623 -8.325 1.00 0.00 C ATOM 1794 O ALA A 115 -12.594 11.071 -7.317 1.00 0.00 O ATOM 1795 CB ALA A 115 -12.951 12.162 -10.340 1.00 0.00 C ATOM 0 H ALA A 115 -13.426 10.007 -11.398 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.433 10.882 -9.576 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -12.675 12.989 -9.685 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -12.458 12.282 -11.305 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -14.032 12.158 -10.483 1.00 0.00 H new ATOM 1801 N VAL A 116 -14.269 9.934 -8.323 1.00 0.00 N ATOM 1802 CA VAL A 116 -14.972 9.652 -7.083 1.00 0.00 C ATOM 1803 C VAL A 116 -14.237 8.543 -6.327 1.00 0.00 C ATOM 1804 O VAL A 116 -13.972 8.672 -5.132 1.00 0.00 O ATOM 1805 CB VAL A 116 -16.434 9.308 -7.376 1.00 0.00 C ATOM 1806 CG1 VAL A 116 -17.101 8.665 -6.159 1.00 0.00 C ATOM 1807 CG2 VAL A 116 -17.207 10.546 -7.835 1.00 0.00 C ATOM 0 H VAL A 116 -14.717 9.563 -9.161 1.00 0.00 H new ATOM 0 HA VAL A 116 -14.982 10.533 -6.441 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.451 8.582 -8.189 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.139 8.431 -6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.573 7.748 -5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -17.067 9.357 -5.318 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.243 10.274 -8.037 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -17.177 11.305 -7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -16.753 10.943 -8.743 1.00 0.00 H new ATOM 1817 N VAL A 117 -13.929 7.479 -7.053 1.00 0.00 N ATOM 1818 CA VAL A 117 -13.231 6.348 -6.465 1.00 0.00 C ATOM 1819 C VAL A 117 -11.832 6.789 -6.030 1.00 0.00 C ATOM 1820 O VAL A 117 -11.368 6.421 -4.952 1.00 0.00 O ATOM 1821 CB VAL A 117 -13.209 5.177 -7.450 1.00 0.00 C ATOM 1822 CG1 VAL A 117 -12.128 4.163 -7.071 1.00 0.00 C ATOM 1823 CG2 VAL A 117 -14.582 4.509 -7.536 1.00 0.00 C ATOM 0 H VAL A 117 -14.150 7.376 -8.043 1.00 0.00 H new ATOM 0 HA VAL A 117 -13.753 5.997 -5.575 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.966 5.572 -8.436 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -12.133 3.341 -7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.152 4.649 -7.084 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.327 3.776 -6.072 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -14.540 3.680 -8.243 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -14.866 4.134 -6.553 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -15.320 5.236 -7.874 1.00 0.00 H new ATOM 1833 N HIS A 118 -11.198 7.572 -6.891 1.00 0.00 N ATOM 1834 CA HIS A 118 -9.862 8.067 -6.609 1.00 0.00 C ATOM 1835 C HIS A 118 -9.825 8.675 -5.206 1.00 0.00 C ATOM 1836 O HIS A 118 -8.997 8.292 -4.381 1.00 0.00 O ATOM 1837 CB HIS A 118 -9.406 9.048 -7.692 1.00 0.00 C ATOM 1838 CG HIS A 118 -8.439 10.098 -7.201 1.00 0.00 C ATOM 1839 ND1 HIS A 118 -8.809 11.414 -6.981 1.00 0.00 N ATOM 1840 CD2 HIS A 118 -7.113 10.014 -6.890 1.00 0.00 C ATOM 1841 CE1 HIS A 118 -7.746 12.082 -6.557 1.00 0.00 C ATOM 1842 NE2 HIS A 118 -6.696 11.213 -6.502 1.00 0.00 N ATOM 0 H HIS A 118 -11.585 7.876 -7.784 1.00 0.00 H new ATOM 0 HA HIS A 118 -9.153 7.239 -6.628 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -8.938 8.488 -8.502 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -10.282 9.543 -8.112 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -6.506 9.123 -6.949 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -7.716 13.131 -6.300 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -5.747 11.446 -6.211 1.00 0.00 H new ATOM 1850 N GLU A 119 -10.733 9.613 -4.977 1.00 0.00 N ATOM 1851 CA GLU A 119 -10.815 10.277 -3.688 1.00 0.00 C ATOM 1852 C GLU A 119 -11.043 9.251 -2.576 1.00 0.00 C ATOM 1853 O GLU A 119 -10.352 9.269 -1.559 1.00 0.00 O ATOM 1854 CB GLU A 119 -11.915 11.340 -3.688 1.00 0.00 C ATOM 1855 CG GLU A 119 -11.439 12.621 -4.376 1.00 0.00 C ATOM 1856 CD GLU A 119 -12.305 13.816 -3.970 1.00 0.00 C ATOM 1857 OE1 GLU A 119 -13.540 13.630 -3.920 1.00 0.00 O ATOM 1858 OE2 GLU A 119 -11.713 14.887 -3.720 1.00 0.00 O ATOM 0 H GLU A 119 -11.418 9.929 -5.663 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.868 10.782 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -12.798 10.955 -4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -12.211 11.562 -2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -10.399 12.815 -4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.475 12.492 -5.458 1.00 0.00 H new ATOM 1865 N ARG A 120 -12.016 8.382 -2.807 1.00 0.00 N ATOM 1866 CA ARG A 120 -12.344 7.351 -1.838 1.00 0.00 C ATOM 1867 C ARG A 120 -11.122 6.473 -1.562 1.00 0.00 C ATOM 1868 O ARG A 120 -10.624 6.432 -0.438 1.00 0.00 O ATOM 1869 CB ARG A 120 -13.492 6.471 -2.337 1.00 0.00 C ATOM 1870 CG ARG A 120 -14.808 6.846 -1.652 1.00 0.00 C ATOM 1871 CD ARG A 120 -15.689 5.613 -1.444 1.00 0.00 C ATOM 1872 NE ARG A 120 -15.105 4.743 -0.399 1.00 0.00 N ATOM 1873 CZ ARG A 120 -15.311 4.905 0.915 1.00 0.00 C ATOM 1874 NH1 ARG A 120 -16.089 5.904 1.353 1.00 0.00 N ATOM 1875 NH2 ARG A 120 -14.740 4.068 1.791 1.00 0.00 N ATOM 0 H ARG A 120 -12.588 8.371 -3.652 1.00 0.00 H new ATOM 0 HA ARG A 120 -12.654 7.848 -0.919 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -13.596 6.580 -3.417 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -13.263 5.423 -2.143 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -14.601 7.315 -0.690 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.341 7.580 -2.257 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -16.694 5.919 -1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -15.781 5.060 -2.379 1.00 0.00 H new ATOM 0 HE ARG A 120 -14.508 3.972 -0.698 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -16.524 6.541 0.686 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -16.246 6.027 2.353 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -14.148 3.307 1.458 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -14.897 4.192 2.791 1.00 0.00 H new ATOM 1889 N MET A 121 -10.673 5.793 -2.606 1.00 0.00 N ATOM 1890 CA MET A 121 -9.519 4.918 -2.490 1.00 0.00 C ATOM 1891 C MET A 121 -8.309 5.678 -1.943 1.00 0.00 C ATOM 1892 O MET A 121 -7.560 5.152 -1.121 1.00 0.00 O ATOM 1893 CB MET A 121 -9.178 4.337 -3.864 1.00 0.00 C ATOM 1894 CG MET A 121 -10.125 3.191 -4.224 1.00 0.00 C ATOM 1895 SD MET A 121 -9.942 1.857 -3.052 1.00 0.00 S ATOM 1896 CE MET A 121 -8.350 1.222 -3.551 1.00 0.00 C ATOM 0 H MET A 121 -11.088 5.830 -3.537 1.00 0.00 H new ATOM 0 HA MET A 121 -9.764 4.114 -1.796 1.00 0.00 H new ATOM 0 HB2 MET A 121 -9.244 5.119 -4.620 1.00 0.00 H new ATOM 0 HB3 MET A 121 -8.149 3.978 -3.866 1.00 0.00 H new ATOM 0 HG2 MET A 121 -11.155 3.546 -4.225 1.00 0.00 H new ATOM 0 HG3 MET A 121 -9.910 2.833 -5.231 1.00 0.00 H new ATOM 0 HE1 MET A 121 -8.410 0.140 -3.666 1.00 0.00 H new ATOM 0 HE2 MET A 121 -8.060 1.672 -4.500 1.00 0.00 H new ATOM 0 HE3 MET A 121 -7.607 1.465 -2.792 1.00 0.00 H new ATOM 1906 N ASP A 122 -8.154 6.904 -2.421 1.00 0.00 N ATOM 1907 CA ASP A 122 -7.047 7.741 -1.990 1.00 0.00 C ATOM 1908 C ASP A 122 -7.148 7.975 -0.482 1.00 0.00 C ATOM 1909 O ASP A 122 -6.158 7.846 0.238 1.00 0.00 O ATOM 1910 CB ASP A 122 -7.086 9.105 -2.684 1.00 0.00 C ATOM 1911 CG ASP A 122 -6.031 10.104 -2.204 1.00 0.00 C ATOM 1912 OD1 ASP A 122 -4.835 9.819 -2.428 1.00 0.00 O ATOM 1913 OD2 ASP A 122 -6.446 11.131 -1.623 1.00 0.00 O ATOM 0 H ASP A 122 -8.777 7.338 -3.103 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.118 7.232 -2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -6.961 8.954 -3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.073 9.543 -2.537 1.00 0.00 H new ATOM 1918 N ARG A 123 -8.352 8.316 -0.047 1.00 0.00 N ATOM 1919 CA ARG A 123 -8.595 8.569 1.363 1.00 0.00 C ATOM 1920 C ARG A 123 -8.245 7.332 2.192 1.00 0.00 C ATOM 1921 O ARG A 123 -7.439 7.409 3.118 1.00 0.00 O ATOM 1922 CB ARG A 123 -10.058 8.943 1.611 1.00 0.00 C ATOM 1923 CG ARG A 123 -10.372 10.330 1.046 1.00 0.00 C ATOM 1924 CD ARG A 123 -11.850 10.445 0.666 1.00 0.00 C ATOM 1925 NE ARG A 123 -12.490 11.529 1.445 1.00 0.00 N ATOM 1926 CZ ARG A 123 -13.762 11.918 1.286 1.00 0.00 C ATOM 1927 NH1 ARG A 123 -14.539 11.314 0.377 1.00 0.00 N ATOM 1928 NH2 ARG A 123 -14.258 12.911 2.037 1.00 0.00 N ATOM 0 H ARG A 123 -9.170 8.423 -0.647 1.00 0.00 H new ATOM 0 HA ARG A 123 -7.962 9.404 1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -10.710 8.202 1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.265 8.927 2.681 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -10.122 11.092 1.784 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -9.752 10.519 0.170 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -11.945 10.648 -0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -12.358 9.500 0.857 1.00 0.00 H new ATOM 0 HE ARG A 123 -11.927 12.010 2.147 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -14.162 10.558 -0.194 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -15.507 11.610 0.256 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -13.667 13.371 2.730 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -15.227 13.207 1.916 1.00 0.00 H new ATOM 1942 N GLY A 124 -8.868 6.220 1.830 1.00 0.00 N ATOM 1943 CA GLY A 124 -8.632 4.968 2.530 1.00 0.00 C ATOM 1944 C GLY A 124 -7.152 4.585 2.483 1.00 0.00 C ATOM 1945 O GLY A 124 -6.609 4.068 3.458 1.00 0.00 O ATOM 0 H GLY A 124 -9.536 6.160 1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.955 5.060 3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.231 4.177 2.079 1.00 0.00 H new ATOM 1949 N TRP A 125 -6.540 4.852 1.338 1.00 0.00 N ATOM 1950 CA TRP A 125 -5.133 4.541 1.151 1.00 0.00 C ATOM 1951 C TRP A 125 -4.334 5.311 2.204 1.00 0.00 C ATOM 1952 O TRP A 125 -3.595 4.715 2.986 1.00 0.00 O ATOM 1953 CB TRP A 125 -4.689 4.850 -0.280 1.00 0.00 C ATOM 1954 CG TRP A 125 -4.566 3.615 -1.174 1.00 0.00 C ATOM 1955 CD1 TRP A 125 -5.368 3.242 -2.181 1.00 0.00 C ATOM 1956 CD2 TRP A 125 -3.543 2.599 -1.102 1.00 0.00 C ATOM 1957 NE1 TRP A 125 -4.939 2.065 -2.760 1.00 0.00 N ATOM 1958 CE2 TRP A 125 -3.795 1.662 -2.083 1.00 0.00 C ATOM 1959 CE3 TRP A 125 -2.443 2.476 -0.236 1.00 0.00 C ATOM 1960 CZ2 TRP A 125 -2.990 0.535 -2.290 1.00 0.00 C ATOM 1961 CZ3 TRP A 125 -1.648 1.345 -0.456 1.00 0.00 C ATOM 1962 CH2 TRP A 125 -1.887 0.392 -1.439 1.00 0.00 C ATOM 0 H TRP A 125 -6.993 5.280 0.531 1.00 0.00 H new ATOM 0 HA TRP A 125 -4.952 3.475 1.288 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -5.402 5.541 -0.729 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -3.726 5.360 -0.249 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -6.240 3.793 -2.499 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.381 1.580 -3.541 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -2.228 3.197 0.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -3.208 -0.185 -3.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -0.789 1.203 0.183 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -1.225 -0.455 -1.546 1.00 0.00 H new ATOM 1973 N HIS A 126 -4.511 6.624 2.191 1.00 0.00 N ATOM 1974 CA HIS A 126 -3.816 7.482 3.136 1.00 0.00 C ATOM 1975 C HIS A 126 -4.123 7.027 4.564 1.00 0.00 C ATOM 1976 O HIS A 126 -3.209 6.763 5.345 1.00 0.00 O ATOM 1977 CB HIS A 126 -4.166 8.952 2.894 1.00 0.00 C ATOM 1978 CG HIS A 126 -3.271 9.924 3.625 1.00 0.00 C ATOM 1979 ND1 HIS A 126 -1.895 9.785 3.674 1.00 0.00 N ATOM 1980 CD2 HIS A 126 -3.570 11.051 4.334 1.00 0.00 C ATOM 1981 CE1 HIS A 126 -1.398 10.788 4.384 1.00 0.00 C ATOM 1982 NE2 HIS A 126 -2.438 11.571 4.792 1.00 0.00 N ATOM 0 H HIS A 126 -5.125 7.115 1.541 1.00 0.00 H new ATOM 0 HA HIS A 126 -2.740 7.396 2.988 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.111 9.157 1.825 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -5.198 9.124 3.199 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -4.560 11.452 4.495 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -0.353 10.956 4.601 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -2.359 12.417 5.356 1.00 0.00 H new ATOM 1990 N ASP A 127 -5.411 6.950 4.863 1.00 0.00 N ATOM 1991 CA ASP A 127 -5.850 6.531 6.183 1.00 0.00 C ATOM 1992 C ASP A 127 -5.217 5.180 6.521 1.00 0.00 C ATOM 1993 O ASP A 127 -4.805 4.950 7.658 1.00 0.00 O ATOM 1994 CB ASP A 127 -7.370 6.367 6.232 1.00 0.00 C ATOM 1995 CG ASP A 127 -8.167 7.648 5.979 1.00 0.00 C ATOM 1996 OD1 ASP A 127 -7.915 8.628 6.713 1.00 0.00 O ATOM 1997 OD2 ASP A 127 -9.011 7.618 5.058 1.00 0.00 O ATOM 0 H ASP A 127 -6.166 7.171 4.213 1.00 0.00 H new ATOM 0 HA ASP A 127 -5.547 7.296 6.898 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.664 5.622 5.493 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.646 5.972 7.210 1.00 0.00 H new ATOM 2002 N LEU A 128 -5.159 4.321 5.514 1.00 0.00 N ATOM 2003 CA LEU A 128 -4.583 2.999 5.691 1.00 0.00 C ATOM 2004 C LEU A 128 -3.094 3.134 6.016 1.00 0.00 C ATOM 2005 O LEU A 128 -2.613 2.561 6.992 1.00 0.00 O ATOM 2006 CB LEU A 128 -4.868 2.123 4.469 1.00 0.00 C ATOM 2007 CG LEU A 128 -4.236 0.729 4.480 1.00 0.00 C ATOM 2008 CD1 LEU A 128 -4.903 -0.167 5.525 1.00 0.00 C ATOM 2009 CD2 LEU A 128 -4.265 0.103 3.085 1.00 0.00 C ATOM 0 H LEU A 128 -5.501 4.515 4.573 1.00 0.00 H new ATOM 0 HA LEU A 128 -5.049 2.491 6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.948 2.010 4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -4.522 2.650 3.580 1.00 0.00 H new ATOM 0 HG LEU A 128 -3.189 0.831 4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -4.435 -1.151 5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -4.786 0.277 6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.964 -0.266 5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -3.810 -0.887 3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -5.298 0.016 2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -3.708 0.733 2.392 1.00 0.00 H new ATOM 2021 N VAL A 129 -2.406 3.897 5.179 1.00 0.00 N ATOM 2022 CA VAL A 129 -0.981 4.116 5.365 1.00 0.00 C ATOM 2023 C VAL A 129 -0.768 5.386 6.190 1.00 0.00 C ATOM 2024 O VAL A 129 0.173 6.139 5.945 1.00 0.00 O ATOM 2025 CB VAL A 129 -0.277 4.159 4.008 1.00 0.00 C ATOM 2026 CG1 VAL A 129 -0.729 5.373 3.194 1.00 0.00 C ATOM 2027 CG2 VAL A 129 1.244 4.149 4.179 1.00 0.00 C ATOM 0 H VAL A 129 -2.809 4.371 4.371 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.537 3.290 5.920 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.558 3.262 3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -0.213 5.380 2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.805 5.319 3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -0.491 6.286 3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.721 4.180 3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 129 1.551 5.019 4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.546 3.241 4.700 1.00 0.00 H new ATOM 2037 N ASN A 130 -1.658 5.586 7.151 1.00 0.00 N ATOM 2038 CA ASN A 130 -1.579 6.752 8.014 1.00 0.00 C ATOM 2039 C ASN A 130 -1.428 6.298 9.467 1.00 0.00 C ATOM 2040 O ASN A 130 -0.478 6.683 10.146 1.00 0.00 O ATOM 2041 CB ASN A 130 -2.850 7.599 7.913 1.00 0.00 C ATOM 2042 CG ASN A 130 -2.617 8.837 7.046 1.00 0.00 C ATOM 2043 OD1 ASN A 130 -3.364 9.135 6.129 1.00 0.00 O ATOM 2044 ND2 ASN A 130 -1.541 9.541 7.387 1.00 0.00 N ATOM 0 H ASN A 130 -2.438 4.960 7.351 1.00 0.00 H new ATOM 0 HA ASN A 130 -0.722 7.347 7.698 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -3.657 7.001 7.490 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -3.168 7.904 8.910 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -1.299 10.386 6.870 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -0.958 9.236 8.166 1.00 0.00 H new ATOM 2051 N GLU A 131 -2.379 5.484 9.901 1.00 0.00 N ATOM 2052 CA GLU A 131 -2.363 4.972 11.261 1.00 0.00 C ATOM 2053 C GLU A 131 -2.480 3.447 11.256 1.00 0.00 C ATOM 2054 O GLU A 131 -1.739 2.761 11.958 1.00 0.00 O ATOM 2055 CB GLU A 131 -3.477 5.605 12.097 1.00 0.00 C ATOM 2056 CG GLU A 131 -4.852 5.310 11.493 1.00 0.00 C ATOM 2057 CD GLU A 131 -5.430 4.009 12.054 1.00 0.00 C ATOM 2058 OE1 GLU A 131 -4.656 3.282 12.712 1.00 0.00 O ATOM 2059 OE2 GLU A 131 -6.633 3.772 11.811 1.00 0.00 O ATOM 0 H GLU A 131 -3.166 5.166 9.335 1.00 0.00 H new ATOM 0 HA GLU A 131 -1.411 5.242 11.719 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.434 5.222 13.116 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.325 6.683 12.155 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -5.531 6.135 11.706 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -4.769 5.237 10.409 1.00 0.00 H new ATOM 2066 N ARG A 132 -3.417 2.960 10.455 1.00 0.00 N ATOM 2067 CA ARG A 132 -3.641 1.528 10.349 1.00 0.00 C ATOM 2068 C ARG A 132 -2.310 0.795 10.167 1.00 0.00 C ATOM 2069 O ARG A 132 -2.098 -0.268 10.749 1.00 0.00 O ATOM 2070 CB ARG A 132 -4.562 1.200 9.172 1.00 0.00 C ATOM 2071 CG ARG A 132 -5.935 1.850 9.353 1.00 0.00 C ATOM 2072 CD ARG A 132 -6.968 0.826 9.827 1.00 0.00 C ATOM 2073 NE ARG A 132 -7.682 1.341 11.017 1.00 0.00 N ATOM 2074 CZ ARG A 132 -8.706 0.712 11.610 1.00 0.00 C ATOM 2075 NH1 ARG A 132 -9.141 -0.460 11.128 1.00 0.00 N ATOM 2076 NH2 ARG A 132 -9.294 1.255 12.685 1.00 0.00 N ATOM 0 H ARG A 132 -4.030 3.532 9.873 1.00 0.00 H new ATOM 0 HA ARG A 132 -4.118 1.198 11.271 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -4.110 1.549 8.244 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -4.676 0.119 9.085 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -5.864 2.662 10.076 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -6.260 2.290 8.410 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -7.679 0.618 9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -6.475 -0.116 10.068 1.00 0.00 H new ATOM 0 HE ARG A 132 -7.375 2.231 11.410 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -8.693 -0.873 10.310 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -9.920 -0.939 11.579 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -8.962 2.147 13.052 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -10.073 0.776 13.136 1.00 0.00 H new ATOM 2090 N LEU A 133 -1.449 1.392 9.356 1.00 0.00 N ATOM 2091 CA LEU A 133 -0.145 0.809 9.090 1.00 0.00 C ATOM 2092 C LEU A 133 0.779 1.071 10.280 1.00 0.00 C ATOM 2093 O LEU A 133 1.413 0.150 10.794 1.00 0.00 O ATOM 2094 CB LEU A 133 0.408 1.320 7.758 1.00 0.00 C ATOM 2095 CG LEU A 133 1.884 1.021 7.486 1.00 0.00 C ATOM 2096 CD1 LEU A 133 2.194 -0.460 7.712 1.00 0.00 C ATOM 2097 CD2 LEU A 133 2.288 1.484 6.084 1.00 0.00 C ATOM 0 H LEU A 133 -1.629 2.273 8.875 1.00 0.00 H new ATOM 0 HA LEU A 133 -0.226 -0.273 8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.184 0.888 6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.263 2.400 7.717 1.00 0.00 H new ATOM 0 HG LEU A 133 2.484 1.588 8.198 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.249 -0.646 7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 133 1.968 -0.725 8.745 1.00 0.00 H new ATOM 0 HD13 LEU A 133 1.585 -1.066 7.041 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.341 1.260 5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.684 0.964 5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 133 2.127 2.558 5.995 1.00 0.00 H new ATOM 2109 N ARG A 134 0.827 2.332 10.685 1.00 0.00 N ATOM 2110 CA ARG A 134 1.663 2.727 11.806 1.00 0.00 C ATOM 2111 C ARG A 134 1.396 1.824 13.011 1.00 0.00 C ATOM 2112 O ARG A 134 2.322 1.457 13.734 1.00 0.00 O ATOM 2113 CB ARG A 134 1.403 4.183 12.200 1.00 0.00 C ATOM 2114 CG ARG A 134 2.316 4.610 13.351 1.00 0.00 C ATOM 2115 CD ARG A 134 1.582 5.542 14.317 1.00 0.00 C ATOM 2116 NE ARG A 134 1.229 6.805 13.631 1.00 0.00 N ATOM 2117 CZ ARG A 134 2.116 7.755 13.303 1.00 0.00 C ATOM 2118 NH1 ARG A 134 3.413 7.590 13.596 1.00 0.00 N ATOM 2119 NH2 ARG A 134 1.706 8.869 12.682 1.00 0.00 N ATOM 0 H ARG A 134 0.300 3.093 10.257 1.00 0.00 H new ATOM 0 HA ARG A 134 2.703 2.626 11.496 1.00 0.00 H new ATOM 0 HB2 ARG A 134 1.569 4.832 11.340 1.00 0.00 H new ATOM 0 HB3 ARG A 134 0.360 4.303 12.494 1.00 0.00 H new ATOM 0 HG2 ARG A 134 2.667 3.728 13.887 1.00 0.00 H new ATOM 0 HG3 ARG A 134 3.197 5.114 12.953 1.00 0.00 H new ATOM 0 HD2 ARG A 134 0.680 5.056 14.689 1.00 0.00 H new ATOM 0 HD3 ARG A 134 2.211 5.752 15.182 1.00 0.00 H new ATOM 0 HE ARG A 134 0.250 6.962 13.393 1.00 0.00 H new ATOM 0 HH11 ARG A 134 3.725 6.742 14.068 1.00 0.00 H new ATOM 0 HH12 ARG A 134 4.088 8.313 13.347 1.00 0.00 H new ATOM 0 HH21 ARG A 134 0.719 8.994 12.459 1.00 0.00 H new ATOM 0 HH22 ARG A 134 2.381 9.592 12.433 1.00 0.00 H new ATOM 2133 N GLN A 135 0.127 1.491 13.192 1.00 0.00 N ATOM 2134 CA GLN A 135 -0.273 0.638 14.298 1.00 0.00 C ATOM 2135 C GLN A 135 0.428 -0.719 14.202 1.00 0.00 C ATOM 2136 O GLN A 135 0.497 -1.456 15.184 1.00 0.00 O ATOM 2137 CB GLN A 135 -1.793 0.467 14.337 1.00 0.00 C ATOM 2138 CG GLN A 135 -2.386 1.119 15.588 1.00 0.00 C ATOM 2139 CD GLN A 135 -2.852 0.059 16.589 1.00 0.00 C ATOM 2140 OE1 GLN A 135 -3.569 -0.871 16.260 1.00 0.00 O ATOM 2141 NE2 GLN A 135 -2.404 0.252 17.827 1.00 0.00 N ATOM 0 H GLN A 135 -0.638 1.797 12.591 1.00 0.00 H new ATOM 0 HA GLN A 135 0.030 1.117 15.229 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -2.236 0.912 13.446 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -2.044 -0.594 14.322 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -1.641 1.763 16.055 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -3.226 1.755 15.308 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -1.806 1.052 18.034 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -2.658 -0.400 18.569 1.00 0.00 H new ATOM 2150 N ILE A 136 0.931 -1.006 13.010 1.00 0.00 N ATOM 2151 CA ILE A 136 1.624 -2.261 12.774 1.00 0.00 C ATOM 2152 C ILE A 136 3.021 -2.192 13.396 1.00 0.00 C ATOM 2153 O ILE A 136 3.604 -3.220 13.737 1.00 0.00 O ATOM 2154 CB ILE A 136 1.632 -2.596 11.281 1.00 0.00 C ATOM 2155 CG1 ILE A 136 0.228 -2.474 10.685 1.00 0.00 C ATOM 2156 CG2 ILE A 136 2.242 -3.977 11.032 1.00 0.00 C ATOM 2157 CD1 ILE A 136 -0.764 -3.370 11.429 1.00 0.00 C ATOM 0 H ILE A 136 0.872 -0.391 12.198 1.00 0.00 H new ATOM 0 HA ILE A 136 1.098 -3.083 13.259 1.00 0.00 H new ATOM 0 HB ILE A 136 2.263 -1.869 10.771 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -0.104 -1.437 10.737 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.252 -2.749 9.631 1.00 0.00 H new ATOM 0 HG21 ILE A 136 2.235 -4.190 9.963 1.00 0.00 H new ATOM 0 HG22 ILE A 136 3.268 -3.993 11.399 1.00 0.00 H new ATOM 0 HG23 ILE A 136 1.657 -4.733 11.556 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.754 -3.264 10.985 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -0.442 -4.409 11.355 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -0.803 -3.076 12.478 1.00 0.00 H new ATOM 2169 N VAL A 137 3.517 -0.970 13.523 1.00 0.00 N ATOM 2170 CA VAL A 137 4.834 -0.753 14.098 1.00 0.00 C ATOM 2171 C VAL A 137 4.687 -0.047 15.447 1.00 0.00 C ATOM 2172 O VAL A 137 5.645 0.042 16.213 1.00 0.00 O ATOM 2173 CB VAL A 137 5.714 0.017 13.112 1.00 0.00 C ATOM 2174 CG1 VAL A 137 6.035 -0.834 11.882 1.00 0.00 C ATOM 2175 CG2 VAL A 137 5.057 1.339 12.708 1.00 0.00 C ATOM 0 H VAL A 137 3.031 -0.120 13.238 1.00 0.00 H new ATOM 0 HA VAL A 137 5.332 -1.705 14.283 1.00 0.00 H new ATOM 0 HB VAL A 137 6.654 0.249 13.613 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.662 -0.262 11.198 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.564 -1.736 12.191 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.108 -1.111 11.380 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.703 1.867 12.007 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.096 1.138 12.235 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.904 1.955 13.594 1.00 0.00 H new ATOM 2185 N GLU A 138 3.479 0.438 15.697 1.00 0.00 N ATOM 2186 CA GLU A 138 3.195 1.134 16.940 1.00 0.00 C ATOM 2187 C GLU A 138 2.297 0.277 17.834 1.00 0.00 C ATOM 2188 O GLU A 138 1.669 0.787 18.761 1.00 0.00 O ATOM 2189 CB GLU A 138 2.558 2.499 16.671 1.00 0.00 C ATOM 2190 CG GLU A 138 3.624 3.594 16.589 1.00 0.00 C ATOM 2191 CD GLU A 138 3.584 4.492 17.827 1.00 0.00 C ATOM 2192 OE1 GLU A 138 2.460 4.882 18.209 1.00 0.00 O ATOM 2193 OE2 GLU A 138 4.679 4.768 18.364 1.00 0.00 O ATOM 0 H GLU A 138 2.686 0.362 15.060 1.00 0.00 H new ATOM 0 HA GLU A 138 4.137 1.306 17.461 1.00 0.00 H new ATOM 0 HB2 GLU A 138 1.995 2.464 15.739 1.00 0.00 H new ATOM 0 HB3 GLU A 138 1.848 2.736 17.464 1.00 0.00 H new ATOM 0 HG2 GLU A 138 4.611 3.140 16.497 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.465 4.195 15.694 1.00 0.00 H new TER 2200 GLU A 138