USER MOD reduce.3.24.130724 H: found=0, std=0, add=1253, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1248 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 132 SER OG : rot 80:sc= -0.376 USER MOD Set 1.2: A 149 THR OG1 : rot -100:sc= 0.261 USER MOD Set 2.1: A 1 MET N :NH3+ -167:sc= 0.128 (180deg=-0.297) USER MOD Set 2.2: A 111 GLN : amide:sc= 0.437 K(o=0.57,f=-6!) USER MOD Set 3.1: A 76 CYS SG : rot 87:sc= 0.0196 USER MOD Set 3.2: A 120 SER OG : rot -103:sc= 0.0816 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 1.27 (180deg=1.16) USER MOD Single : A 9 THR OG1 : rot -86:sc= 0.101 USER MOD Single : A 11 GLN : amide:sc= 0.602 K(o=0.6,f=-1.7) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0389 F(o=-0.57,f=-0.039) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.27 K(o=-1.3,f=-5.1!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 20 HIS : no HD1:sc= -0.0465 X(o=-0.046,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.457 X(o=-0.46,f=-0.46) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -127:sc= 0.13 USER MOD Single : A 49 CYS SG : rot 140:sc= -0.442 USER MOD Single : A 51 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.6) USER MOD Single : A 54 THR OG1 : rot -34:sc= 0.044 USER MOD Single : A 57 LYS NZ :NH3+ -167:sc=-0.00117 (180deg=-0.124) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 64 TYR OH : rot 160:sc= 1.09 USER MOD Single : A 68 ASN : amide:sc= -0.48 K(o=-0.48,f=-3.9!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 CYS SG : rot -40:sc= -2.77 USER MOD Single : A 75 MET CE :methyl -162:sc= 0 (180deg=-0.356) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 170:sc= -0.0302 USER MOD Single : A 86 GLN :FLIP amide:sc= -3.77! C(o=-5.2!,f=-3.8!) USER MOD Single : A 88 LYS NZ :NH3+ 135:sc= 1.13 (180deg=-0.114) USER MOD Single : A 90 LYS NZ :NH3+ -136:sc= 0 (180deg=-1.63!) USER MOD Single : A 93 MET CE :methyl -133:sc= 0 (180deg=-1.04) USER MOD Single : A 96 TYR OH : rot 97:sc= 0.128 USER MOD Single : A 97 ASN : amide:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 98 GLN : amide:sc= 0.74 K(o=0.74,f=-2.1!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 108 TYR OH : rot 30:sc= 0 USER MOD Single : A 109 HIS : no HD1:sc= -0.0751 X(o=-0.075,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN :FLIP amide:sc=-0.00375 F(o=-1.5!,f=-0.0038) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 131 SER OG : rot 150:sc= 0.0108 USER MOD Single : A 136 CYS SG : rot 180:sc=-0.000537 USER MOD Single : A 141 THR OG1 : rot 160:sc= 0 USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 ASN : amide:sc= 0.179 K(o=0.18,f=-3.8!) USER MOD Single : A 150 THR OG1 : rot 150:sc= 0 USER MOD Single : A 155 THR OG1 : rot 180:sc= 0 USER MOD Single : A 156 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.067 0.763 16.555 1.00 0.00 N ATOM 2 CA MET A 1 -9.730 0.670 15.251 1.00 0.00 C ATOM 3 C MET A 1 -10.718 1.807 15.065 1.00 0.00 C ATOM 4 O MET A 1 -11.566 2.021 15.931 1.00 0.00 O ATOM 5 CB MET A 1 -10.406 -0.695 15.036 1.00 0.00 C ATOM 6 CG MET A 1 -11.493 -1.065 16.060 1.00 0.00 C ATOM 7 SD MET A 1 -13.206 -0.792 15.533 1.00 0.00 S ATOM 8 CE MET A 1 -14.047 -1.075 17.116 1.00 0.00 C ATOM 0 H1 MET A 1 -8.250 0.120 16.576 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.743 1.739 16.711 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.737 0.496 17.305 1.00 0.00 H new ATOM 0 HA MET A 1 -8.955 0.761 14.490 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.850 -0.708 14.041 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.638 -1.468 15.053 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.377 -2.117 16.320 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.318 -0.491 16.970 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.122 -0.949 16.985 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.840 -2.088 17.462 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.685 -0.359 17.853 1.00 0.00 H new ATOM 18 N GLU A 2 -10.557 2.583 13.991 1.00 0.00 N ATOM 19 CA GLU A 2 -11.465 3.681 13.659 1.00 0.00 C ATOM 20 C GLU A 2 -12.520 3.072 12.739 1.00 0.00 C ATOM 21 O GLU A 2 -12.201 2.200 11.923 1.00 0.00 O ATOM 22 CB GLU A 2 -10.761 4.823 12.921 1.00 0.00 C ATOM 23 CG GLU A 2 -9.919 5.685 13.862 1.00 0.00 C ATOM 24 CD GLU A 2 -10.726 6.604 14.793 1.00 0.00 C ATOM 25 OE1 GLU A 2 -11.977 6.606 14.750 1.00 0.00 O ATOM 26 OE2 GLU A 2 -10.082 7.386 15.534 1.00 0.00 O ATOM 0 H GLU A 2 -9.792 2.467 13.327 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.879 4.110 14.571 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.122 4.410 12.140 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.505 5.448 12.427 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.297 5.030 14.472 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.245 6.299 13.264 1.00 0.00 H new ATOM 33 N LYS A 3 -13.748 3.588 12.791 1.00 0.00 N ATOM 34 CA LYS A 3 -14.862 3.066 11.997 1.00 0.00 C ATOM 35 C LYS A 3 -15.074 3.686 10.618 1.00 0.00 C ATOM 36 O LYS A 3 -15.945 3.230 9.876 1.00 0.00 O ATOM 37 CB LYS A 3 -16.119 3.167 12.874 1.00 0.00 C ATOM 38 CG LYS A 3 -17.245 2.185 12.535 1.00 0.00 C ATOM 39 CD LYS A 3 -16.804 0.718 12.570 1.00 0.00 C ATOM 40 CE LYS A 3 -18.035 -0.188 12.534 1.00 0.00 C ATOM 41 NZ LYS A 3 -17.677 -1.554 12.127 1.00 0.00 N ATOM 0 H LYS A 3 -13.999 4.379 13.384 1.00 0.00 H new ATOM 0 HA LYS A 3 -14.618 2.036 11.736 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.828 3.013 13.913 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.511 4.181 12.799 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.065 2.327 13.239 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.633 2.417 11.543 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -16.156 0.502 11.721 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -16.223 0.524 13.472 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -18.503 -0.210 13.518 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -18.770 0.220 11.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -18.531 -2.147 12.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -17.252 -1.533 11.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.993 -1.950 12.803 1.00 0.00 H new ATOM 55 N ALA A 4 -14.239 4.652 10.242 1.00 0.00 N ATOM 56 CA ALA A 4 -14.288 5.380 8.975 1.00 0.00 C ATOM 57 C ALA A 4 -15.444 6.391 9.036 1.00 0.00 C ATOM 58 O ALA A 4 -16.551 6.145 8.555 1.00 0.00 O ATOM 59 CB ALA A 4 -14.312 4.462 7.739 1.00 0.00 C ATOM 0 H ALA A 4 -13.474 4.964 10.840 1.00 0.00 H new ATOM 0 HA ALA A 4 -13.358 5.933 8.844 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -14.348 5.070 6.835 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -13.413 3.846 7.726 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -15.192 3.820 7.780 1.00 0.00 H new ATOM 65 N LEU A 5 -15.160 7.514 9.704 1.00 0.00 N ATOM 66 CA LEU A 5 -16.079 8.637 9.923 1.00 0.00 C ATOM 67 C LEU A 5 -15.365 9.965 10.179 1.00 0.00 C ATOM 68 O LEU A 5 -15.961 10.953 10.600 1.00 0.00 O ATOM 69 CB LEU A 5 -17.023 8.276 11.083 1.00 0.00 C ATOM 70 CG LEU A 5 -16.333 7.947 12.426 1.00 0.00 C ATOM 71 CD1 LEU A 5 -15.930 9.179 13.237 1.00 0.00 C ATOM 72 CD2 LEU A 5 -17.260 7.090 13.287 1.00 0.00 C ATOM 0 H LEU A 5 -14.244 7.672 10.125 1.00 0.00 H new ATOM 0 HA LEU A 5 -16.648 8.793 9.007 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -17.710 9.108 11.242 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -17.625 7.418 10.784 1.00 0.00 H new ATOM 0 HG LEU A 5 -15.417 7.416 12.165 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.453 8.864 14.165 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -15.233 9.784 12.657 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.817 9.769 13.468 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -16.769 6.861 14.233 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -18.184 7.635 13.480 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -17.489 6.162 12.763 1.00 0.00 H new ATOM 84 N LYS A 6 -14.049 9.977 10.014 1.00 0.00 N ATOM 85 CA LYS A 6 -13.179 11.130 10.234 1.00 0.00 C ATOM 86 C LYS A 6 -11.913 11.016 9.378 1.00 0.00 C ATOM 87 O LYS A 6 -10.904 11.646 9.675 1.00 0.00 O ATOM 88 CB LYS A 6 -12.814 11.165 11.734 1.00 0.00 C ATOM 89 CG LYS A 6 -12.280 9.795 12.208 1.00 0.00 C ATOM 90 CD LYS A 6 -11.344 9.902 13.412 1.00 0.00 C ATOM 91 CE LYS A 6 -12.168 10.064 14.684 1.00 0.00 C ATOM 92 NZ LYS A 6 -11.347 9.870 15.889 1.00 0.00 N ATOM 0 H LYS A 6 -13.535 9.150 9.711 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.690 12.049 9.947 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -12.061 11.933 11.911 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -13.692 11.439 12.319 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.122 9.153 12.466 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.751 9.313 11.386 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.720 9.011 13.481 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.673 10.752 13.290 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.616 11.058 14.704 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.987 9.345 14.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.959 9.869 16.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.846 8.961 15.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.655 10.642 15.965 1.00 0.00 H new ATOM 106 N ILE A 7 -11.937 10.092 8.424 1.00 0.00 N ATOM 107 CA ILE A 7 -10.895 9.708 7.483 1.00 0.00 C ATOM 108 C ILE A 7 -11.591 9.352 6.158 1.00 0.00 C ATOM 109 O ILE A 7 -11.236 8.380 5.487 1.00 0.00 O ATOM 110 CB ILE A 7 -10.098 8.519 8.096 1.00 0.00 C ATOM 111 CG1 ILE A 7 -11.007 7.492 8.823 1.00 0.00 C ATOM 112 CG2 ILE A 7 -9.020 9.019 9.072 1.00 0.00 C ATOM 113 CD1 ILE A 7 -10.359 6.114 9.007 1.00 0.00 C ATOM 0 H ILE A 7 -12.779 9.535 8.277 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.179 10.506 7.288 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.627 8.012 7.254 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -11.278 7.889 9.801 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -11.932 7.376 8.258 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.479 8.167 9.485 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.323 9.669 8.543 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.492 9.576 9.881 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.054 5.451 9.522 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.113 5.695 8.032 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -9.449 6.216 9.598 1.00 0.00 H new ATOM 125 N ASP A 8 -12.680 10.073 5.862 1.00 0.00 N ATOM 126 CA ASP A 8 -13.503 9.897 4.669 1.00 0.00 C ATOM 127 C ASP A 8 -12.921 10.677 3.497 1.00 0.00 C ATOM 128 O ASP A 8 -13.252 10.420 2.338 1.00 0.00 O ATOM 129 CB ASP A 8 -14.950 10.342 4.946 1.00 0.00 C ATOM 130 CG ASP A 8 -15.579 9.651 6.160 1.00 0.00 C ATOM 131 OD1 ASP A 8 -16.236 10.334 6.977 1.00 0.00 O ATOM 132 OD2 ASP A 8 -15.423 8.411 6.283 1.00 0.00 O ATOM 0 H ASP A 8 -13.020 10.818 6.470 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.509 8.839 4.408 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.967 11.421 5.103 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.559 10.138 4.066 1.00 0.00 H new ATOM 137 N THR A 9 -12.124 11.699 3.787 1.00 0.00 N ATOM 138 CA THR A 9 -11.438 12.525 2.811 1.00 0.00 C ATOM 139 C THR A 9 -10.145 11.774 2.458 1.00 0.00 C ATOM 140 O THR A 9 -9.786 10.809 3.141 1.00 0.00 O ATOM 141 CB THR A 9 -11.138 13.904 3.446 1.00 0.00 C ATOM 142 OG1 THR A 9 -10.925 13.826 4.850 1.00 0.00 O ATOM 143 CG2 THR A 9 -12.295 14.868 3.186 1.00 0.00 C ATOM 0 H THR A 9 -11.933 11.983 4.748 1.00 0.00 H new ATOM 0 HA THR A 9 -12.030 12.701 1.913 1.00 0.00 H new ATOM 0 HB THR A 9 -10.221 14.265 2.980 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.786 13.876 5.315 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.072 15.835 3.638 1.00 0.00 H new ATOM 0 HG22 THR A 9 -12.431 14.992 2.112 1.00 0.00 H new ATOM 0 HG23 THR A 9 -13.209 14.466 3.623 1.00 0.00 H new ATOM 151 N PRO A 10 -9.437 12.127 1.379 1.00 0.00 N ATOM 152 CA PRO A 10 -8.192 11.447 1.076 1.00 0.00 C ATOM 153 C PRO A 10 -7.179 11.939 2.116 1.00 0.00 C ATOM 154 O PRO A 10 -7.235 13.099 2.535 1.00 0.00 O ATOM 155 CB PRO A 10 -7.839 11.895 -0.343 1.00 0.00 C ATOM 156 CG PRO A 10 -8.462 13.290 -0.452 1.00 0.00 C ATOM 157 CD PRO A 10 -9.699 13.211 0.444 1.00 0.00 C ATOM 0 HA PRO A 10 -8.226 10.358 1.117 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.760 11.926 -0.496 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.248 11.215 -1.090 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.772 14.063 -0.114 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.729 13.529 -1.481 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.862 14.151 0.970 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.596 13.014 -0.143 1.00 0.00 H new ATOM 165 N GLN A 11 -6.235 11.099 2.533 1.00 0.00 N ATOM 166 CA GLN A 11 -5.218 11.499 3.497 1.00 0.00 C ATOM 167 C GLN A 11 -3.900 11.138 2.868 1.00 0.00 C ATOM 168 O GLN A 11 -3.693 9.981 2.512 1.00 0.00 O ATOM 169 CB GLN A 11 -5.425 10.946 4.914 1.00 0.00 C ATOM 170 CG GLN A 11 -5.872 9.482 5.023 1.00 0.00 C ATOM 171 CD GLN A 11 -7.393 9.365 5.008 1.00 0.00 C ATOM 172 OE1 GLN A 11 -8.054 9.735 5.965 1.00 0.00 O ATOM 173 NE2 GLN A 11 -7.981 8.846 3.944 1.00 0.00 N ATOM 0 H GLN A 11 -6.155 10.133 2.216 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.271 12.571 3.689 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.490 11.058 5.463 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.167 11.567 5.417 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.453 8.909 4.196 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.481 9.047 5.943 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.419 8.540 3.149 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.996 8.752 3.918 1.00 0.00 H new ATOM 182 N GLN A 12 -3.055 12.133 2.619 1.00 0.00 N ATOM 183 CA GLN A 12 -1.770 11.909 1.988 1.00 0.00 C ATOM 184 C GLN A 12 -0.675 12.415 2.901 1.00 0.00 C ATOM 185 O GLN A 12 -0.835 13.456 3.530 1.00 0.00 O ATOM 186 CB GLN A 12 -1.686 12.578 0.609 1.00 0.00 C ATOM 187 CG GLN A 12 -2.990 12.645 -0.205 1.00 0.00 C ATOM 188 CD GLN A 12 -3.738 13.949 0.064 1.00 0.00 C ATOM 189 OE1 GLN A 12 -4.880 13.922 0.723 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 -3.278 15.013 -0.333 1.00 0.00 N flip ATOM 0 H GLN A 12 -3.244 13.109 2.849 1.00 0.00 H new ATOM 0 HA GLN A 12 -1.645 10.839 1.825 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.317 13.595 0.745 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.942 12.046 0.017 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.764 12.564 -1.268 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.626 11.798 0.051 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.394 15.028 -0.842 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.779 15.883 -0.154 1.00 0.00 H new ATOM 199 N GLY A 13 0.430 11.688 2.998 1.00 0.00 N ATOM 200 CA GLY A 13 1.533 12.082 3.846 1.00 0.00 C ATOM 201 C GLY A 13 2.747 11.232 3.559 1.00 0.00 C ATOM 202 O GLY A 13 3.200 11.211 2.416 1.00 0.00 O ATOM 0 H GLY A 13 0.581 10.815 2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.770 13.133 3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.249 11.980 4.893 1.00 0.00 H new ATOM 206 N SER A 14 3.259 10.483 4.531 1.00 0.00 N ATOM 207 CA SER A 14 4.456 9.685 4.301 1.00 0.00 C ATOM 208 C SER A 14 4.548 8.395 5.138 1.00 0.00 C ATOM 209 O SER A 14 3.634 8.063 5.886 1.00 0.00 O ATOM 210 CB SER A 14 5.640 10.657 4.424 1.00 0.00 C ATOM 211 OG SER A 14 5.569 11.478 5.582 1.00 0.00 O ATOM 0 H SER A 14 2.870 10.413 5.471 1.00 0.00 H new ATOM 0 HA SER A 14 4.445 9.247 3.303 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.569 10.088 4.446 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.676 11.291 3.538 1.00 0.00 H new ATOM 0 HG SER A 14 6.347 12.073 5.609 1.00 0.00 H new ATOM 217 N ILE A 15 5.608 7.605 4.924 1.00 0.00 N ATOM 218 CA ILE A 15 5.946 6.329 5.584 1.00 0.00 C ATOM 219 C ILE A 15 7.478 6.283 5.794 1.00 0.00 C ATOM 220 O ILE A 15 7.976 5.379 6.460 1.00 0.00 O ATOM 221 CB ILE A 15 5.499 5.152 4.654 1.00 0.00 C ATOM 222 CG1 ILE A 15 3.986 5.082 4.405 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.845 3.729 5.128 1.00 0.00 C ATOM 224 CD1 ILE A 15 3.657 4.157 3.219 1.00 0.00 C ATOM 0 H ILE A 15 6.311 7.859 4.229 1.00 0.00 H new ATOM 0 HA ILE A 15 5.441 6.241 6.546 1.00 0.00 H new ATOM 0 HB ILE A 15 6.071 5.414 3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.484 4.719 5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.601 6.082 4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.483 3.004 4.399 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.926 3.632 5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.372 3.541 6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.578 4.129 3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.140 4.535 2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.020 3.151 3.430 1.00 0.00 H new ATOM 236 N GLN A 16 8.284 7.196 5.237 1.00 0.00 N ATOM 237 CA GLN A 16 9.735 7.119 5.380 1.00 0.00 C ATOM 238 C GLN A 16 10.271 7.140 6.811 1.00 0.00 C ATOM 239 O GLN A 16 11.290 6.502 7.084 1.00 0.00 O ATOM 240 CB GLN A 16 10.403 8.171 4.486 1.00 0.00 C ATOM 241 CG GLN A 16 10.631 9.543 5.139 1.00 0.00 C ATOM 242 CD GLN A 16 10.934 10.682 4.160 1.00 0.00 C ATOM 243 OE1 GLN A 16 10.983 10.509 2.953 1.00 0.00 O ATOM 244 NE2 GLN A 16 11.161 11.882 4.660 1.00 0.00 N ATOM 0 H GLN A 16 7.954 7.990 4.688 1.00 0.00 H new ATOM 0 HA GLN A 16 10.010 6.120 5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.365 7.782 4.153 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.789 8.309 3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.745 9.806 5.716 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.458 9.460 5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.121 12.030 5.668 1.00 0.00 H new ATOM 0 HE22 GLN A 16 11.377 12.661 4.038 1.00 0.00 H new ATOM 253 N ASP A 17 9.567 7.806 7.723 1.00 0.00 N ATOM 254 CA ASP A 17 9.934 7.961 9.132 1.00 0.00 C ATOM 255 C ASP A 17 10.057 6.631 9.881 1.00 0.00 C ATOM 256 O ASP A 17 10.621 6.594 10.973 1.00 0.00 O ATOM 257 CB ASP A 17 8.919 8.867 9.842 1.00 0.00 C ATOM 258 CG ASP A 17 9.059 10.329 9.424 1.00 0.00 C ATOM 259 OD1 ASP A 17 9.601 11.136 10.214 1.00 0.00 O ATOM 260 OD2 ASP A 17 8.618 10.660 8.297 1.00 0.00 O ATOM 0 H ASP A 17 8.689 8.272 7.493 1.00 0.00 H new ATOM 0 HA ASP A 17 10.924 8.418 9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.909 8.522 9.619 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.053 8.785 10.921 1.00 0.00 H new ATOM 265 N ILE A 18 9.584 5.519 9.310 1.00 0.00 N ATOM 266 CA ILE A 18 9.649 4.198 9.931 1.00 0.00 C ATOM 267 C ILE A 18 11.079 3.829 10.321 1.00 0.00 C ATOM 268 O ILE A 18 11.309 3.343 11.428 1.00 0.00 O ATOM 269 CB ILE A 18 9.002 3.158 8.989 1.00 0.00 C ATOM 270 CG1 ILE A 18 7.474 3.390 8.949 1.00 0.00 C ATOM 271 CG2 ILE A 18 9.369 1.699 9.317 1.00 0.00 C ATOM 272 CD1 ILE A 18 6.704 2.361 8.118 1.00 0.00 C ATOM 0 H ILE A 18 9.140 5.514 8.392 1.00 0.00 H new ATOM 0 HA ILE A 18 9.084 4.211 10.863 1.00 0.00 H new ATOM 0 HB ILE A 18 9.416 3.314 7.993 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.089 3.378 9.969 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.279 4.384 8.547 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.875 1.032 8.611 1.00 0.00 H new ATOM 0 HG22 ILE A 18 10.449 1.570 9.243 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.043 1.461 10.330 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.640 2.596 8.142 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.058 2.387 7.087 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.865 1.365 8.532 1.00 0.00 H new ATOM 284 N ASN A 19 12.019 3.976 9.388 1.00 0.00 N ATOM 285 CA ASN A 19 13.435 3.675 9.607 1.00 0.00 C ATOM 286 C ASN A 19 14.283 4.527 8.663 1.00 0.00 C ATOM 287 O ASN A 19 15.338 4.108 8.186 1.00 0.00 O ATOM 288 CB ASN A 19 13.709 2.168 9.449 1.00 0.00 C ATOM 289 CG ASN A 19 14.963 1.712 10.198 1.00 0.00 C ATOM 290 OD1 ASN A 19 15.899 2.473 10.454 1.00 0.00 O ATOM 291 ND2 ASN A 19 14.990 0.452 10.595 1.00 0.00 N ATOM 0 H ASN A 19 11.817 4.312 8.446 1.00 0.00 H new ATOM 0 HA ASN A 19 13.711 3.929 10.631 1.00 0.00 H new ATOM 0 HB2 ASN A 19 12.849 1.607 9.814 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.818 1.932 8.390 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.791 0.099 11.119 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.210 -0.168 10.377 1.00 0.00 H new ATOM 298 N HIS A 20 13.777 5.720 8.335 1.00 0.00 N ATOM 299 CA HIS A 20 14.399 6.709 7.448 1.00 0.00 C ATOM 300 C HIS A 20 14.550 6.249 5.991 1.00 0.00 C ATOM 301 O HIS A 20 15.223 6.879 5.179 1.00 0.00 O ATOM 302 CB HIS A 20 15.743 7.175 8.059 1.00 0.00 C ATOM 303 CG HIS A 20 15.959 8.647 8.288 1.00 0.00 C ATOM 304 ND1 HIS A 20 16.826 9.134 9.232 1.00 0.00 N ATOM 305 CD2 HIS A 20 15.451 9.719 7.600 1.00 0.00 C ATOM 306 CE1 HIS A 20 16.839 10.469 9.134 1.00 0.00 C ATOM 307 NE2 HIS A 20 16.015 10.878 8.156 1.00 0.00 N ATOM 0 H HIS A 20 12.879 6.038 8.698 1.00 0.00 H new ATOM 0 HA HIS A 20 13.716 7.556 7.385 1.00 0.00 H new ATOM 0 HB2 HIS A 20 15.864 6.670 9.017 1.00 0.00 H new ATOM 0 HB3 HIS A 20 16.543 6.820 7.409 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.747 9.679 6.782 1.00 0.00 H new ATOM 0 HE1 HIS A 20 17.430 11.126 9.755 1.00 0.00 H new ATOM 0 HE2 HIS A 20 15.834 11.841 7.873 1.00 0.00 H new ATOM 315 N ARG A 21 13.967 5.105 5.662 1.00 0.00 N ATOM 316 CA ARG A 21 13.967 4.476 4.362 1.00 0.00 C ATOM 317 C ARG A 21 12.919 5.173 3.535 1.00 0.00 C ATOM 318 O ARG A 21 11.732 5.007 3.781 1.00 0.00 O ATOM 319 CB ARG A 21 13.693 2.964 4.461 1.00 0.00 C ATOM 320 CG ARG A 21 12.554 2.558 5.408 1.00 0.00 C ATOM 321 CD ARG A 21 11.525 1.662 4.728 1.00 0.00 C ATOM 322 NE ARG A 21 10.600 2.405 3.855 1.00 0.00 N ATOM 323 CZ ARG A 21 9.602 3.184 4.290 1.00 0.00 C ATOM 324 NH1 ARG A 21 9.305 3.149 5.577 1.00 0.00 N ATOM 325 NH2 ARG A 21 8.934 3.994 3.471 1.00 0.00 N ATOM 0 H ARG A 21 13.447 4.559 6.349 1.00 0.00 H new ATOM 0 HA ARG A 21 14.948 4.570 3.896 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.464 2.588 3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.607 2.468 4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 21 12.970 2.039 6.271 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.060 3.454 5.783 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.043 0.906 4.138 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.951 1.134 5.490 1.00 0.00 H new ATOM 0 HE ARG A 21 10.729 2.320 2.847 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.831 2.541 6.205 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.550 3.730 5.942 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.178 4.033 2.481 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.178 4.575 3.833 1.00 0.00 H new ATOM 339 N VAL A 22 13.329 6.018 2.613 1.00 0.00 N ATOM 340 CA VAL A 22 12.363 6.682 1.762 1.00 0.00 C ATOM 341 C VAL A 22 12.054 5.662 0.655 1.00 0.00 C ATOM 342 O VAL A 22 12.636 4.574 0.649 1.00 0.00 O ATOM 343 CB VAL A 22 12.962 8.018 1.324 1.00 0.00 C ATOM 344 CG1 VAL A 22 11.949 8.856 0.546 1.00 0.00 C ATOM 345 CG2 VAL A 22 13.593 8.824 2.464 1.00 0.00 C ATOM 0 H VAL A 22 14.304 6.259 2.435 1.00 0.00 H new ATOM 0 HA VAL A 22 11.415 6.956 2.226 1.00 0.00 H new ATOM 0 HB VAL A 22 13.785 7.762 0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.408 9.799 0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.633 8.311 -0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.082 9.056 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.995 9.758 2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 22 12.836 9.044 3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 22 14.398 8.245 2.917 1.00 0.00 H new ATOM 355 N TRP A 23 11.116 5.936 -0.244 1.00 0.00 N ATOM 356 CA TRP A 23 10.752 5.033 -1.328 1.00 0.00 C ATOM 357 C TRP A 23 10.928 5.775 -2.647 1.00 0.00 C ATOM 358 O TRP A 23 10.450 6.902 -2.779 1.00 0.00 O ATOM 359 CB TRP A 23 9.294 4.598 -1.173 1.00 0.00 C ATOM 360 CG TRP A 23 8.890 3.622 -0.116 1.00 0.00 C ATOM 361 CD1 TRP A 23 9.671 2.794 0.615 1.00 0.00 C ATOM 362 CD2 TRP A 23 7.522 3.229 0.158 1.00 0.00 C ATOM 363 NE1 TRP A 23 8.871 1.915 1.325 1.00 0.00 N ATOM 364 CE2 TRP A 23 7.533 2.136 1.067 1.00 0.00 C ATOM 365 CE3 TRP A 23 6.277 3.652 -0.352 1.00 0.00 C ATOM 366 CZ2 TRP A 23 6.352 1.495 1.458 1.00 0.00 C ATOM 367 CZ3 TRP A 23 5.091 3.010 0.028 1.00 0.00 C ATOM 368 CH2 TRP A 23 5.131 1.932 0.922 1.00 0.00 C ATOM 0 H TRP A 23 10.580 6.804 -0.240 1.00 0.00 H new ATOM 0 HA TRP A 23 11.386 4.147 -1.306 1.00 0.00 H new ATOM 0 HB2 TRP A 23 8.706 5.502 -1.014 1.00 0.00 H new ATOM 0 HB3 TRP A 23 8.982 4.179 -2.130 1.00 0.00 H new ATOM 0 HD1 TRP A 23 10.750 2.815 0.641 1.00 0.00 H new ATOM 0 HE1 TRP A 23 9.225 1.197 1.957 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.237 4.481 -1.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 6.380 0.676 2.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 4.145 3.347 -0.369 1.00 0.00 H new ATOM 0 HH2 TRP A 23 4.215 1.433 1.201 1.00 0.00 H new ATOM 379 N VAL A 24 11.549 5.158 -3.652 1.00 0.00 N ATOM 380 CA VAL A 24 11.761 5.816 -4.946 1.00 0.00 C ATOM 381 C VAL A 24 11.345 4.855 -6.042 1.00 0.00 C ATOM 382 O VAL A 24 11.659 3.665 -5.958 1.00 0.00 O ATOM 383 CB VAL A 24 13.241 6.210 -5.146 1.00 0.00 C ATOM 384 CG1 VAL A 24 13.444 7.013 -6.438 1.00 0.00 C ATOM 385 CG2 VAL A 24 13.753 7.093 -3.999 1.00 0.00 C ATOM 0 H VAL A 24 11.914 4.207 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 24 11.166 6.729 -4.979 1.00 0.00 H new ATOM 0 HB VAL A 24 13.790 5.269 -5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 24 14.498 7.272 -6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.130 6.413 -7.292 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.849 7.925 -6.397 1.00 0.00 H new ATOM 0 HG21 VAL A 24 14.798 7.349 -4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.159 8.005 -3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.666 6.552 -3.057 1.00 0.00 H new ATOM 395 N LEU A 25 10.574 5.336 -7.020 1.00 0.00 N ATOM 396 CA LEU A 25 10.165 4.491 -8.133 1.00 0.00 C ATOM 397 C LEU A 25 11.441 4.294 -8.972 1.00 0.00 C ATOM 398 O LEU A 25 11.905 5.270 -9.565 1.00 0.00 O ATOM 399 CB LEU A 25 9.099 5.172 -9.003 1.00 0.00 C ATOM 400 CG LEU A 25 8.794 4.375 -10.299 1.00 0.00 C ATOM 401 CD1 LEU A 25 7.672 3.370 -10.109 1.00 0.00 C ATOM 402 CD2 LEU A 25 8.582 5.332 -11.469 1.00 0.00 C ATOM 0 H LEU A 25 10.226 6.294 -7.060 1.00 0.00 H new ATOM 0 HA LEU A 25 9.733 3.558 -7.771 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.182 5.286 -8.426 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.436 6.174 -9.267 1.00 0.00 H new ATOM 0 HG LEU A 25 9.663 3.765 -10.546 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.497 2.838 -11.044 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.950 2.657 -9.333 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.762 3.892 -9.813 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.369 4.761 -12.372 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.743 5.993 -11.251 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.483 5.927 -11.620 1.00 0.00 H new ATOM 414 N GLN A 26 12.015 3.096 -9.056 1.00 0.00 N ATOM 415 CA GLN A 26 13.218 2.828 -9.833 1.00 0.00 C ATOM 416 C GLN A 26 12.996 1.603 -10.710 1.00 0.00 C ATOM 417 O GLN A 26 12.657 0.539 -10.201 1.00 0.00 O ATOM 418 CB GLN A 26 14.409 2.543 -8.915 1.00 0.00 C ATOM 419 CG GLN A 26 15.724 2.590 -9.714 1.00 0.00 C ATOM 420 CD GLN A 26 16.770 1.611 -9.194 1.00 0.00 C ATOM 421 OE1 GLN A 26 17.638 1.964 -8.397 1.00 0.00 O ATOM 422 NE2 GLN A 26 16.761 0.381 -9.682 1.00 0.00 N ATOM 0 H GLN A 26 11.650 2.272 -8.578 1.00 0.00 H new ATOM 0 HA GLN A 26 13.429 3.708 -10.441 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.439 3.276 -8.109 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.293 1.564 -8.451 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.515 2.369 -10.761 1.00 0.00 H new ATOM 0 HG3 GLN A 26 16.130 3.601 -9.677 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.036 0.100 -10.342 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.479 -0.286 -9.398 1.00 0.00 H new ATOM 431 N ASP A 27 13.254 1.732 -12.011 1.00 0.00 N ATOM 432 CA ASP A 27 13.114 0.654 -12.987 1.00 0.00 C ATOM 433 C ASP A 27 11.820 -0.130 -12.776 1.00 0.00 C ATOM 434 O ASP A 27 11.817 -1.336 -12.533 1.00 0.00 O ATOM 435 CB ASP A 27 14.381 -0.202 -13.000 1.00 0.00 C ATOM 436 CG ASP A 27 14.345 -1.315 -14.050 1.00 0.00 C ATOM 437 OD1 ASP A 27 13.666 -1.189 -15.096 1.00 0.00 O ATOM 438 OD2 ASP A 27 15.021 -2.342 -13.820 1.00 0.00 O ATOM 0 H ASP A 27 13.573 2.608 -12.424 1.00 0.00 H new ATOM 0 HA ASP A 27 13.017 1.075 -13.988 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.243 0.438 -13.188 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.522 -0.645 -12.014 1.00 0.00 H new ATOM 443 N GLN A 28 10.714 0.618 -12.799 1.00 0.00 N ATOM 444 CA GLN A 28 9.358 0.120 -12.643 1.00 0.00 C ATOM 445 C GLN A 28 9.062 -0.658 -11.342 1.00 0.00 C ATOM 446 O GLN A 28 8.089 -1.414 -11.302 1.00 0.00 O ATOM 447 CB GLN A 28 8.984 -0.637 -13.928 1.00 0.00 C ATOM 448 CG GLN A 28 8.904 0.298 -15.144 1.00 0.00 C ATOM 449 CD GLN A 28 8.397 -0.442 -16.382 1.00 0.00 C ATOM 450 OE1 GLN A 28 8.742 -1.598 -16.626 1.00 0.00 O ATOM 451 NE2 GLN A 28 7.522 0.176 -17.159 1.00 0.00 N ATOM 0 H GLN A 28 10.748 1.629 -12.933 1.00 0.00 H new ATOM 0 HA GLN A 28 8.702 0.980 -12.510 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.722 -1.416 -14.118 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.024 -1.134 -13.789 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.241 1.133 -14.920 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.889 0.719 -15.347 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.241 1.134 -16.950 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.128 -0.306 -17.967 1.00 0.00 H new ATOM 460 N THR A 29 9.835 -0.472 -10.271 1.00 0.00 N ATOM 461 CA THR A 29 9.654 -1.124 -8.979 1.00 0.00 C ATOM 462 C THR A 29 9.986 -0.097 -7.900 1.00 0.00 C ATOM 463 O THR A 29 10.895 0.713 -8.069 1.00 0.00 O ATOM 464 CB THR A 29 10.556 -2.373 -8.928 1.00 0.00 C ATOM 465 OG1 THR A 29 9.823 -3.482 -9.416 1.00 0.00 O ATOM 466 CG2 THR A 29 11.039 -2.781 -7.535 1.00 0.00 C ATOM 0 H THR A 29 10.634 0.162 -10.283 1.00 0.00 H new ATOM 0 HA THR A 29 8.632 -1.466 -8.818 1.00 0.00 H new ATOM 0 HB THR A 29 11.431 -2.107 -9.521 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.386 -4.283 -9.390 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.665 -3.670 -7.613 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.617 -1.967 -7.097 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.179 -2.997 -6.901 1.00 0.00 H new ATOM 474 N LEU A 30 9.225 -0.048 -6.803 1.00 0.00 N ATOM 475 CA LEU A 30 9.563 0.915 -5.756 1.00 0.00 C ATOM 476 C LEU A 30 10.717 0.335 -4.943 1.00 0.00 C ATOM 477 O LEU A 30 10.588 -0.789 -4.466 1.00 0.00 O ATOM 478 CB LEU A 30 8.365 1.185 -4.841 1.00 0.00 C ATOM 479 CG LEU A 30 7.429 2.270 -5.385 1.00 0.00 C ATOM 480 CD1 LEU A 30 6.160 2.268 -4.523 1.00 0.00 C ATOM 481 CD2 LEU A 30 8.109 3.646 -5.275 1.00 0.00 C ATOM 0 H LEU A 30 8.410 -0.633 -6.622 1.00 0.00 H new ATOM 0 HA LEU A 30 9.846 1.864 -6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.802 0.261 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.726 1.484 -3.857 1.00 0.00 H new ATOM 0 HG LEU A 30 7.191 2.074 -6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.472 3.032 -4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.681 1.291 -4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.424 2.480 -3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.440 4.414 -5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.337 3.857 -4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.032 3.643 -5.854 1.00 0.00 H new ATOM 493 N ILE A 31 11.783 1.100 -4.688 1.00 0.00 N ATOM 494 CA ILE A 31 12.945 0.635 -3.908 1.00 0.00 C ATOM 495 C ILE A 31 13.191 1.567 -2.731 1.00 0.00 C ATOM 496 O ILE A 31 13.089 2.787 -2.882 1.00 0.00 O ATOM 497 CB ILE A 31 14.223 0.474 -4.763 1.00 0.00 C ATOM 498 CG1 ILE A 31 13.870 -0.067 -6.159 1.00 0.00 C ATOM 499 CG2 ILE A 31 15.218 -0.449 -4.026 1.00 0.00 C ATOM 500 CD1 ILE A 31 15.076 -0.526 -6.972 1.00 0.00 C ATOM 0 H ILE A 31 11.869 2.062 -5.015 1.00 0.00 H new ATOM 0 HA ILE A 31 12.703 -0.360 -3.536 1.00 0.00 H new ATOM 0 HB ILE A 31 14.696 1.446 -4.904 1.00 0.00 H new ATOM 0 HG12 ILE A 31 13.180 -0.903 -6.049 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.344 0.709 -6.715 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.120 -0.565 -4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.477 -0.010 -3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 31 14.760 -1.425 -3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 31 14.742 -0.893 -7.943 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.758 0.312 -7.116 1.00 0.00 H new ATOM 0 HD13 ILE A 31 15.591 -1.325 -6.439 1.00 0.00 H new ATOM 512 N ALA A 32 13.411 0.997 -1.544 1.00 0.00 N ATOM 513 CA ALA A 32 13.665 1.769 -0.348 1.00 0.00 C ATOM 514 C ALA A 32 15.101 2.303 -0.388 1.00 0.00 C ATOM 515 O ALA A 32 16.026 1.588 -0.780 1.00 0.00 O ATOM 516 CB ALA A 32 13.381 0.889 0.869 1.00 0.00 C ATOM 0 H ALA A 32 13.416 -0.012 -1.396 1.00 0.00 H new ATOM 0 HA ALA A 32 13.009 2.637 -0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.568 1.457 1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.340 0.566 0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.032 0.015 0.846 1.00 0.00 H new ATOM 522 N VAL A 33 15.296 3.529 0.097 1.00 0.00 N ATOM 523 CA VAL A 33 16.585 4.228 0.138 1.00 0.00 C ATOM 524 C VAL A 33 16.909 4.780 1.546 1.00 0.00 C ATOM 525 O VAL A 33 16.782 5.976 1.771 1.00 0.00 O ATOM 526 CB VAL A 33 16.631 5.311 -0.980 1.00 0.00 C ATOM 527 CG1 VAL A 33 16.691 4.724 -2.398 1.00 0.00 C ATOM 528 CG2 VAL A 33 15.423 6.255 -0.968 1.00 0.00 C ATOM 0 H VAL A 33 14.535 4.085 0.487 1.00 0.00 H new ATOM 0 HA VAL A 33 17.381 3.512 -0.067 1.00 0.00 H new ATOM 0 HB VAL A 33 17.547 5.854 -0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.721 5.534 -3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.586 4.111 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.808 4.109 -2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.522 6.983 -1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.509 5.678 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.378 6.776 -0.012 1.00 0.00 H new ATOM 538 N PRO A 34 17.309 3.951 2.528 1.00 0.00 N ATOM 539 CA PRO A 34 17.652 4.446 3.861 1.00 0.00 C ATOM 540 C PRO A 34 19.026 5.134 3.849 1.00 0.00 C ATOM 541 O PRO A 34 19.131 6.357 3.904 1.00 0.00 O ATOM 542 CB PRO A 34 17.609 3.217 4.770 1.00 0.00 C ATOM 543 CG PRO A 34 17.887 2.034 3.836 1.00 0.00 C ATOM 544 CD PRO A 34 17.478 2.509 2.441 1.00 0.00 C ATOM 0 HA PRO A 34 16.959 5.208 4.217 1.00 0.00 H new ATOM 0 HB2 PRO A 34 18.357 3.282 5.560 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.639 3.118 5.257 1.00 0.00 H new ATOM 0 HG2 PRO A 34 18.940 1.753 3.862 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.315 1.155 4.135 1.00 0.00 H new ATOM 0 HD2 PRO A 34 18.240 2.252 1.705 1.00 0.00 H new ATOM 0 HD3 PRO A 34 16.553 2.029 2.124 1.00 0.00 H new ATOM 552 N ARG A 35 20.096 4.341 3.783 1.00 0.00 N ATOM 553 CA ARG A 35 21.477 4.801 3.767 1.00 0.00 C ATOM 554 C ARG A 35 21.903 4.878 2.301 1.00 0.00 C ATOM 555 O ARG A 35 22.676 4.029 1.847 1.00 0.00 O ATOM 556 CB ARG A 35 22.330 3.833 4.623 1.00 0.00 C ATOM 557 CG ARG A 35 22.016 3.954 6.125 1.00 0.00 C ATOM 558 CD ARG A 35 22.746 2.952 7.044 1.00 0.00 C ATOM 559 NE ARG A 35 24.222 3.030 7.007 1.00 0.00 N ATOM 560 CZ ARG A 35 25.058 2.641 7.983 1.00 0.00 C ATOM 561 NH1 ARG A 35 24.633 2.389 9.222 1.00 0.00 N ATOM 562 NH2 ARG A 35 26.346 2.504 7.707 1.00 0.00 N ATOM 0 H ARG A 35 20.017 3.325 3.738 1.00 0.00 H new ATOM 0 HA ARG A 35 21.609 5.790 4.206 1.00 0.00 H new ATOM 0 HB2 ARG A 35 22.150 2.808 4.297 1.00 0.00 H new ATOM 0 HB3 ARG A 35 23.387 4.039 4.457 1.00 0.00 H new ATOM 0 HG2 ARG A 35 22.265 4.964 6.449 1.00 0.00 H new ATOM 0 HG3 ARG A 35 20.942 3.830 6.264 1.00 0.00 H new ATOM 0 HD2 ARG A 35 22.414 3.115 8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 35 22.444 1.942 6.768 1.00 0.00 H new ATOM 0 HE ARG A 35 24.644 3.415 6.162 1.00 0.00 H new ATOM 0 HH11 ARG A 35 23.645 2.490 9.453 1.00 0.00 H new ATOM 0 HH12 ARG A 35 25.296 2.095 9.939 1.00 0.00 H new ATOM 0 HH21 ARG A 35 26.689 2.693 6.765 1.00 0.00 H new ATOM 0 HH22 ARG A 35 26.995 2.209 8.436 1.00 0.00 H new ATOM 576 N LYS A 36 21.335 5.806 1.522 1.00 0.00 N ATOM 577 CA LYS A 36 21.638 5.995 0.103 1.00 0.00 C ATOM 578 C LYS A 36 21.910 7.478 -0.095 1.00 0.00 C ATOM 579 O LYS A 36 21.251 8.297 0.539 1.00 0.00 O ATOM 580 CB LYS A 36 20.436 5.578 -0.765 1.00 0.00 C ATOM 581 CG LYS A 36 20.832 5.041 -2.156 1.00 0.00 C ATOM 582 CD LYS A 36 20.653 3.532 -2.395 1.00 0.00 C ATOM 583 CE LYS A 36 21.940 2.718 -2.185 1.00 0.00 C ATOM 584 NZ LYS A 36 21.836 1.369 -2.785 1.00 0.00 N ATOM 0 H LYS A 36 20.635 6.461 1.872 1.00 0.00 H new ATOM 0 HA LYS A 36 22.494 5.386 -0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 36 19.867 4.812 -0.238 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.775 6.436 -0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 36 20.247 5.575 -2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 36 21.879 5.291 -2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 36 19.881 3.155 -1.723 1.00 0.00 H new ATOM 0 HD3 LYS A 36 20.295 3.374 -3.412 1.00 0.00 H new ATOM 0 HE2 LYS A 36 22.783 3.249 -2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 36 22.144 2.627 -1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 22.722 0.848 -2.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 21.047 0.854 -2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 21.666 1.456 -3.807 1.00 0.00 H new ATOM 598 N ASP A 37 22.823 7.814 -1.001 1.00 0.00 N ATOM 599 CA ASP A 37 23.161 9.212 -1.259 1.00 0.00 C ATOM 600 C ASP A 37 22.069 9.867 -2.092 1.00 0.00 C ATOM 601 O ASP A 37 21.387 10.790 -1.648 1.00 0.00 O ATOM 602 CB ASP A 37 24.499 9.347 -2.017 1.00 0.00 C ATOM 603 CG ASP A 37 25.731 8.945 -1.219 1.00 0.00 C ATOM 604 OD1 ASP A 37 26.754 8.618 -1.862 1.00 0.00 O ATOM 605 OD2 ASP A 37 25.654 8.825 0.028 1.00 0.00 O ATOM 0 H ASP A 37 23.341 7.142 -1.567 1.00 0.00 H new ATOM 0 HA ASP A 37 23.253 9.705 -0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 37 24.452 8.736 -2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 37 24.614 10.382 -2.339 1.00 0.00 H new ATOM 610 N ARG A 38 21.871 9.359 -3.311 1.00 0.00 N ATOM 611 CA ARG A 38 20.904 9.884 -4.269 1.00 0.00 C ATOM 612 C ARG A 38 19.439 9.565 -3.958 1.00 0.00 C ATOM 613 O ARG A 38 18.697 9.145 -4.849 1.00 0.00 O ATOM 614 CB ARG A 38 21.338 9.482 -5.692 1.00 0.00 C ATOM 615 CG ARG A 38 20.810 10.454 -6.765 1.00 0.00 C ATOM 616 CD ARG A 38 20.469 9.705 -8.050 1.00 0.00 C ATOM 617 NE ARG A 38 21.639 9.048 -8.655 1.00 0.00 N ATOM 618 CZ ARG A 38 21.572 8.091 -9.583 1.00 0.00 C ATOM 619 NH1 ARG A 38 20.399 7.628 -9.992 1.00 0.00 N ATOM 620 NH2 ARG A 38 22.682 7.558 -10.062 1.00 0.00 N ATOM 0 H ARG A 38 22.391 8.555 -3.663 1.00 0.00 H new ATOM 0 HA ARG A 38 20.920 10.971 -4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 38 22.426 9.448 -5.741 1.00 0.00 H new ATOM 0 HB3 ARG A 38 20.978 8.476 -5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.924 10.969 -6.392 1.00 0.00 H new ATOM 0 HG3 ARG A 38 21.560 11.218 -6.971 1.00 0.00 H new ATOM 0 HD2 ARG A 38 19.707 8.955 -7.837 1.00 0.00 H new ATOM 0 HD3 ARG A 38 20.038 10.402 -8.768 1.00 0.00 H new ATOM 0 HE ARG A 38 22.564 9.344 -8.344 1.00 0.00 H new ATOM 0 HH11 ARG A 38 19.537 8.003 -9.597 1.00 0.00 H new ATOM 0 HH12 ARG A 38 20.359 6.897 -10.702 1.00 0.00 H new ATOM 0 HH21 ARG A 38 23.589 7.878 -9.723 1.00 0.00 H new ATOM 0 HH22 ARG A 38 22.632 6.827 -10.771 1.00 0.00 H new ATOM 634 N MET A 39 19.017 9.638 -2.698 1.00 0.00 N ATOM 635 CA MET A 39 17.626 9.383 -2.355 1.00 0.00 C ATOM 636 C MET A 39 16.794 10.598 -2.767 1.00 0.00 C ATOM 637 O MET A 39 17.326 11.674 -3.069 1.00 0.00 O ATOM 638 CB MET A 39 17.474 9.057 -0.869 1.00 0.00 C ATOM 639 CG MET A 39 17.942 10.156 0.075 1.00 0.00 C ATOM 640 SD MET A 39 17.793 9.588 1.779 1.00 0.00 S ATOM 641 CE MET A 39 18.611 10.965 2.602 1.00 0.00 C ATOM 0 H MET A 39 19.615 9.870 -1.905 1.00 0.00 H new ATOM 0 HA MET A 39 17.265 8.508 -2.895 1.00 0.00 H new ATOM 0 HB2 MET A 39 16.425 8.843 -0.664 1.00 0.00 H new ATOM 0 HB3 MET A 39 18.034 8.147 -0.652 1.00 0.00 H new ATOM 0 HG2 MET A 39 18.977 10.420 -0.142 1.00 0.00 H new ATOM 0 HG3 MET A 39 17.345 11.056 -0.073 1.00 0.00 H new ATOM 0 HE1 MET A 39 18.618 10.793 3.678 1.00 0.00 H new ATOM 0 HE2 MET A 39 19.636 11.047 2.241 1.00 0.00 H new ATOM 0 HE3 MET A 39 18.075 11.889 2.385 1.00 0.00 H new ATOM 651 N SER A 40 15.481 10.428 -2.800 1.00 0.00 N ATOM 652 CA SER A 40 14.547 11.472 -3.162 1.00 0.00 C ATOM 653 C SER A 40 13.276 11.264 -2.346 1.00 0.00 C ATOM 654 O SER A 40 12.915 10.106 -2.114 1.00 0.00 O ATOM 655 CB SER A 40 14.267 11.403 -4.665 1.00 0.00 C ATOM 656 OG SER A 40 14.944 12.473 -5.296 1.00 0.00 O ATOM 0 H SER A 40 15.031 9.542 -2.571 1.00 0.00 H new ATOM 0 HA SER A 40 14.953 12.460 -2.947 1.00 0.00 H new ATOM 0 HB2 SER A 40 14.605 10.449 -5.070 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.196 11.468 -4.854 1.00 0.00 H new ATOM 0 HG SER A 40 14.776 12.442 -6.261 1.00 0.00 H new ATOM 662 N PRO A 41 12.605 12.346 -1.920 1.00 0.00 N ATOM 663 CA PRO A 41 11.384 12.252 -1.140 1.00 0.00 C ATOM 664 C PRO A 41 10.224 11.738 -1.992 1.00 0.00 C ATOM 665 O PRO A 41 10.297 11.663 -3.227 1.00 0.00 O ATOM 666 CB PRO A 41 11.124 13.670 -0.632 1.00 0.00 C ATOM 667 CG PRO A 41 11.748 14.556 -1.703 1.00 0.00 C ATOM 668 CD PRO A 41 12.962 13.741 -2.147 1.00 0.00 C ATOM 0 HA PRO A 41 11.479 11.544 -0.317 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.058 13.867 -0.521 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.582 13.837 0.343 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.060 14.740 -2.528 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.037 15.529 -1.306 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.191 13.921 -3.197 1.00 0.00 H new ATOM 0 HD3 PRO A 41 13.849 14.016 -1.576 1.00 0.00 H new ATOM 676 N VAL A 42 9.147 11.351 -1.314 1.00 0.00 N ATOM 677 CA VAL A 42 7.933 10.869 -1.934 1.00 0.00 C ATOM 678 C VAL A 42 6.815 11.119 -0.933 1.00 0.00 C ATOM 679 O VAL A 42 7.057 11.311 0.260 1.00 0.00 O ATOM 680 CB VAL A 42 8.070 9.390 -2.355 1.00 0.00 C ATOM 681 CG1 VAL A 42 8.238 8.435 -1.168 1.00 0.00 C ATOM 682 CG2 VAL A 42 6.869 8.912 -3.188 1.00 0.00 C ATOM 0 H VAL A 42 9.101 11.367 -0.295 1.00 0.00 H new ATOM 0 HA VAL A 42 7.712 11.394 -2.863 1.00 0.00 H new ATOM 0 HB VAL A 42 8.977 9.361 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.329 7.412 -1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.136 8.702 -0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.369 8.511 -0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.009 7.866 -3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.956 9.015 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.790 9.516 -4.092 1.00 0.00 H new ATOM 692 N THR A 43 5.587 11.053 -1.409 1.00 0.00 N ATOM 693 CA THR A 43 4.388 11.263 -0.610 1.00 0.00 C ATOM 694 C THR A 43 3.498 10.039 -0.832 1.00 0.00 C ATOM 695 O THR A 43 3.512 9.470 -1.929 1.00 0.00 O ATOM 696 CB THR A 43 3.722 12.571 -1.054 1.00 0.00 C ATOM 697 OG1 THR A 43 4.660 13.538 -1.482 1.00 0.00 O ATOM 698 CG2 THR A 43 2.859 13.201 0.032 1.00 0.00 C ATOM 0 H THR A 43 5.387 10.847 -2.388 1.00 0.00 H new ATOM 0 HA THR A 43 4.597 11.362 0.455 1.00 0.00 H new ATOM 0 HB THR A 43 3.087 12.279 -1.890 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.188 14.352 -1.756 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.416 14.123 -0.344 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.067 12.508 0.316 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.475 13.424 0.903 1.00 0.00 H new ATOM 706 N ILE A 44 2.683 9.642 0.146 1.00 0.00 N ATOM 707 CA ILE A 44 1.801 8.479 0.080 1.00 0.00 C ATOM 708 C ILE A 44 0.351 8.891 0.333 1.00 0.00 C ATOM 709 O ILE A 44 0.052 9.365 1.425 1.00 0.00 O ATOM 710 CB ILE A 44 2.219 7.401 1.113 1.00 0.00 C ATOM 711 CG1 ILE A 44 3.725 7.307 1.421 1.00 0.00 C ATOM 712 CG2 ILE A 44 1.653 6.055 0.642 1.00 0.00 C ATOM 713 CD1 ILE A 44 4.599 6.616 0.390 1.00 0.00 C ATOM 0 H ILE A 44 2.617 10.138 1.035 1.00 0.00 H new ATOM 0 HA ILE A 44 1.887 8.056 -0.921 1.00 0.00 H new ATOM 0 HB ILE A 44 1.798 7.702 2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.105 8.319 1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.844 6.785 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.932 5.275 1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.567 6.119 0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.058 5.814 -0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.635 6.619 0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.263 5.587 0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.528 7.145 -0.560 1.00 0.00 H new ATOM 725 N ALA A 45 -0.553 8.683 -0.626 1.00 0.00 N ATOM 726 CA ALA A 45 -1.978 8.998 -0.540 1.00 0.00 C ATOM 727 C ALA A 45 -2.737 7.737 -0.112 1.00 0.00 C ATOM 728 O ALA A 45 -2.422 6.663 -0.623 1.00 0.00 O ATOM 729 CB ALA A 45 -2.431 9.507 -1.908 1.00 0.00 C ATOM 0 H ALA A 45 -0.299 8.272 -1.524 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.179 9.772 0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.493 9.750 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.863 10.400 -2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.261 8.735 -2.658 1.00 0.00 H new ATOM 735 N LEU A 46 -3.687 7.817 0.827 1.00 0.00 N ATOM 736 CA LEU A 46 -4.468 6.681 1.334 1.00 0.00 C ATOM 737 C LEU A 46 -5.935 7.077 1.324 1.00 0.00 C ATOM 738 O LEU A 46 -6.286 8.189 1.730 1.00 0.00 O ATOM 739 CB LEU A 46 -3.999 6.272 2.754 1.00 0.00 C ATOM 740 CG LEU A 46 -4.923 5.283 3.506 1.00 0.00 C ATOM 741 CD1 LEU A 46 -4.090 4.281 4.315 1.00 0.00 C ATOM 742 CD2 LEU A 46 -5.853 6.000 4.485 1.00 0.00 C ATOM 0 H LEU A 46 -3.942 8.700 1.269 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.320 5.810 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.008 5.826 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.896 7.174 3.357 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.516 4.776 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.755 3.593 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.442 3.719 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.480 4.818 5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.483 5.268 4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.259 6.539 5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.481 6.705 3.940 1.00 0.00 H new ATOM 754 N ILE A 47 -6.787 6.166 0.853 1.00 0.00 N ATOM 755 CA ILE A 47 -8.234 6.356 0.768 1.00 0.00 C ATOM 756 C ILE A 47 -8.919 5.040 1.128 1.00 0.00 C ATOM 757 O ILE A 47 -8.392 3.944 0.908 1.00 0.00 O ATOM 758 CB ILE A 47 -8.654 6.856 -0.642 1.00 0.00 C ATOM 759 CG1 ILE A 47 -7.806 8.066 -1.100 1.00 0.00 C ATOM 760 CG2 ILE A 47 -10.149 7.226 -0.653 1.00 0.00 C ATOM 761 CD1 ILE A 47 -8.190 8.636 -2.466 1.00 0.00 C ATOM 0 H ILE A 47 -6.482 5.254 0.512 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.545 7.127 1.473 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.477 6.041 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.893 8.856 -0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.758 7.768 -1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.430 7.575 -1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.743 6.349 -0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.334 8.016 0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.542 9.480 -2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.074 7.865 -3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.227 8.970 -2.442 1.00 0.00 H new ATOM 773 N SER A 48 -10.084 5.159 1.745 1.00 0.00 N ATOM 774 CA SER A 48 -10.971 4.103 2.179 1.00 0.00 C ATOM 775 C SER A 48 -11.925 3.841 1.018 1.00 0.00 C ATOM 776 O SER A 48 -12.485 4.788 0.468 1.00 0.00 O ATOM 777 CB SER A 48 -11.710 4.606 3.428 1.00 0.00 C ATOM 778 OG SER A 48 -11.927 6.009 3.407 1.00 0.00 O ATOM 0 H SER A 48 -10.461 6.079 1.972 1.00 0.00 H new ATOM 0 HA SER A 48 -10.456 3.178 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.669 4.095 3.508 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.134 4.345 4.316 1.00 0.00 H new ATOM 0 HG SER A 48 -11.590 6.405 4.238 1.00 0.00 H new ATOM 784 N CYS A 49 -12.070 2.588 0.586 1.00 0.00 N ATOM 785 CA CYS A 49 -12.967 2.278 -0.519 1.00 0.00 C ATOM 786 C CYS A 49 -14.401 2.645 -0.135 1.00 0.00 C ATOM 787 O CYS A 49 -14.792 2.502 1.024 1.00 0.00 O ATOM 788 CB CYS A 49 -12.811 0.806 -0.903 1.00 0.00 C ATOM 789 SG CYS A 49 -11.102 0.527 -1.446 1.00 0.00 S ATOM 0 H CYS A 49 -11.583 1.783 0.981 1.00 0.00 H new ATOM 0 HA CYS A 49 -12.712 2.869 -1.399 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.047 0.166 -0.053 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -13.508 0.547 -1.700 1.00 0.00 H new ATOM 0 HG CYS A 49 -10.682 -0.615 -0.988 1.00 0.00 H new ATOM 795 N ARG A 50 -15.177 3.126 -1.108 1.00 0.00 N ATOM 796 CA ARG A 50 -16.567 3.514 -0.876 1.00 0.00 C ATOM 797 C ARG A 50 -17.523 2.445 -1.361 1.00 0.00 C ATOM 798 O ARG A 50 -18.570 2.230 -0.760 1.00 0.00 O ATOM 799 CB ARG A 50 -16.884 4.889 -1.499 1.00 0.00 C ATOM 800 CG ARG A 50 -16.857 5.000 -3.038 1.00 0.00 C ATOM 801 CD ARG A 50 -17.233 6.440 -3.415 1.00 0.00 C ATOM 802 NE ARG A 50 -17.665 6.601 -4.809 1.00 0.00 N ATOM 803 CZ ARG A 50 -18.557 7.503 -5.245 1.00 0.00 C ATOM 804 NH1 ARG A 50 -19.173 8.346 -4.419 1.00 0.00 N ATOM 805 NH2 ARG A 50 -18.817 7.589 -6.538 1.00 0.00 N ATOM 0 H ARG A 50 -14.863 3.256 -2.070 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.706 3.612 0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -17.874 5.192 -1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -16.173 5.611 -1.098 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.867 4.752 -3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -17.558 4.294 -3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -18.032 6.780 -2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.375 7.087 -3.235 1.00 0.00 H new ATOM 0 HE ARG A 50 -17.253 5.976 -5.502 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -18.972 8.319 -3.419 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.846 9.019 -4.786 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.341 6.972 -7.196 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -19.494 8.272 -6.878 1.00 0.00 H new ATOM 819 N HIS A 51 -17.170 1.760 -2.444 1.00 0.00 N ATOM 820 CA HIS A 51 -17.973 0.726 -3.064 1.00 0.00 C ATOM 821 C HIS A 51 -17.630 -0.610 -2.422 1.00 0.00 C ATOM 822 O HIS A 51 -17.459 -1.619 -3.104 1.00 0.00 O ATOM 823 CB HIS A 51 -17.802 0.776 -4.599 1.00 0.00 C ATOM 824 CG HIS A 51 -18.925 0.083 -5.326 1.00 0.00 C ATOM 825 ND1 HIS A 51 -18.808 -0.870 -6.312 1.00 0.00 N ATOM 826 CD2 HIS A 51 -20.259 0.304 -5.124 1.00 0.00 C ATOM 827 CE1 HIS A 51 -20.050 -1.237 -6.666 1.00 0.00 C ATOM 828 NE2 HIS A 51 -20.966 -0.556 -5.962 1.00 0.00 N ATOM 0 H HIS A 51 -16.286 1.919 -2.926 1.00 0.00 H new ATOM 0 HA HIS A 51 -19.038 0.884 -2.893 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -17.751 1.816 -4.922 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -16.855 0.311 -4.871 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -20.688 1.018 -4.437 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -20.280 -1.980 -7.416 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -21.980 -0.649 -6.027 1.00 0.00 H new ATOM 836 N VAL A 52 -17.468 -0.623 -1.096 1.00 0.00 N ATOM 837 CA VAL A 52 -17.146 -1.860 -0.405 1.00 0.00 C ATOM 838 C VAL A 52 -18.338 -2.824 -0.415 1.00 0.00 C ATOM 839 O VAL A 52 -18.165 -3.994 -0.107 1.00 0.00 O ATOM 840 CB VAL A 52 -16.648 -1.621 1.033 1.00 0.00 C ATOM 841 CG1 VAL A 52 -15.344 -0.824 1.018 1.00 0.00 C ATOM 842 CG2 VAL A 52 -17.682 -0.906 1.915 1.00 0.00 C ATOM 0 H VAL A 52 -17.554 0.196 -0.495 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.324 -2.319 -0.954 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.478 -2.605 1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -15.004 -0.663 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.585 -1.379 0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -15.512 0.139 0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -17.273 -0.766 2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -17.920 0.065 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -18.588 -1.509 1.975 1.00 0.00 H new ATOM 852 N GLU A 53 -19.534 -2.352 -0.776 1.00 0.00 N ATOM 853 CA GLU A 53 -20.767 -3.123 -0.833 1.00 0.00 C ATOM 854 C GLU A 53 -20.615 -4.417 -1.648 1.00 0.00 C ATOM 855 O GLU A 53 -21.108 -5.459 -1.219 1.00 0.00 O ATOM 856 CB GLU A 53 -21.921 -2.221 -1.319 1.00 0.00 C ATOM 857 CG GLU A 53 -21.533 -1.190 -2.400 1.00 0.00 C ATOM 858 CD GLU A 53 -22.727 -0.374 -2.909 1.00 0.00 C ATOM 859 OE1 GLU A 53 -22.651 0.878 -2.871 1.00 0.00 O ATOM 860 OE2 GLU A 53 -23.702 -0.983 -3.415 1.00 0.00 O ATOM 0 H GLU A 53 -19.669 -1.378 -1.048 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.014 -3.463 0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.716 -2.854 -1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.332 -1.688 -0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.783 -0.511 -1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.071 -1.709 -3.240 1.00 0.00 H new ATOM 867 N THR A 54 -19.881 -4.379 -2.762 1.00 0.00 N ATOM 868 CA THR A 54 -19.651 -5.542 -3.627 1.00 0.00 C ATOM 869 C THR A 54 -18.409 -6.351 -3.216 1.00 0.00 C ATOM 870 O THR A 54 -18.126 -7.390 -3.818 1.00 0.00 O ATOM 871 CB THR A 54 -19.604 -5.037 -5.096 1.00 0.00 C ATOM 872 OG1 THR A 54 -19.680 -6.059 -6.079 1.00 0.00 O ATOM 873 CG2 THR A 54 -18.333 -4.233 -5.395 1.00 0.00 C ATOM 0 H THR A 54 -19.423 -3.530 -3.094 1.00 0.00 H new ATOM 0 HA THR A 54 -20.470 -6.253 -3.520 1.00 0.00 H new ATOM 0 HB THR A 54 -20.496 -4.414 -5.165 1.00 0.00 H new ATOM 0 HG1 THR A 54 -19.224 -6.862 -5.751 1.00 0.00 H new ATOM 0 HG21 THR A 54 -18.347 -3.902 -6.434 1.00 0.00 H new ATOM 0 HG22 THR A 54 -18.289 -3.364 -4.738 1.00 0.00 H new ATOM 0 HG23 THR A 54 -17.458 -4.860 -5.226 1.00 0.00 H new ATOM 881 N LEU A 55 -17.638 -5.878 -2.230 1.00 0.00 N ATOM 882 CA LEU A 55 -16.415 -6.508 -1.753 1.00 0.00 C ATOM 883 C LEU A 55 -16.664 -7.459 -0.579 1.00 0.00 C ATOM 884 O LEU A 55 -17.672 -8.161 -0.546 1.00 0.00 O ATOM 885 CB LEU A 55 -15.384 -5.419 -1.418 1.00 0.00 C ATOM 886 CG LEU A 55 -14.952 -4.503 -2.569 1.00 0.00 C ATOM 887 CD1 LEU A 55 -13.895 -3.548 -1.999 1.00 0.00 C ATOM 888 CD2 LEU A 55 -14.380 -5.335 -3.723 1.00 0.00 C ATOM 0 H LEU A 55 -17.861 -5.017 -1.730 1.00 0.00 H new ATOM 0 HA LEU A 55 -16.014 -7.137 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -15.793 -4.796 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.494 -5.904 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.797 -3.942 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.554 -2.872 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -14.330 -2.968 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.049 -4.124 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.077 -4.673 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -13.515 -5.898 -3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.141 -6.027 -4.085 1.00 0.00 H new ATOM 900 N GLU A 56 -15.723 -7.544 0.358 1.00 0.00 N ATOM 901 CA GLU A 56 -15.721 -8.381 1.544 1.00 0.00 C ATOM 902 C GLU A 56 -15.552 -7.520 2.787 1.00 0.00 C ATOM 903 O GLU A 56 -14.997 -6.423 2.699 1.00 0.00 O ATOM 904 CB GLU A 56 -14.485 -9.279 1.452 1.00 0.00 C ATOM 905 CG GLU A 56 -14.765 -10.545 0.660 1.00 0.00 C ATOM 906 CD GLU A 56 -15.782 -11.452 1.338 1.00 0.00 C ATOM 907 OE1 GLU A 56 -15.696 -11.596 2.576 1.00 0.00 O ATOM 908 OE2 GLU A 56 -16.640 -12.004 0.609 1.00 0.00 O ATOM 0 H GLU A 56 -14.875 -6.981 0.298 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.652 -8.945 1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.670 -8.729 0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.153 -9.544 2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.130 -10.275 -0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.834 -11.093 0.519 1.00 0.00 H new ATOM 915 N LYS A 57 -15.940 -8.078 3.936 1.00 0.00 N ATOM 916 CA LYS A 57 -15.858 -7.453 5.258 1.00 0.00 C ATOM 917 C LYS A 57 -15.363 -8.430 6.322 1.00 0.00 C ATOM 918 O LYS A 57 -14.755 -7.986 7.295 1.00 0.00 O ATOM 919 CB LYS A 57 -17.253 -6.972 5.671 1.00 0.00 C ATOM 920 CG LYS A 57 -17.765 -5.765 4.871 1.00 0.00 C ATOM 921 CD LYS A 57 -19.284 -5.903 4.720 1.00 0.00 C ATOM 922 CE LYS A 57 -19.963 -4.614 4.263 1.00 0.00 C ATOM 923 NZ LYS A 57 -19.920 -3.581 5.312 1.00 0.00 N ATOM 0 H LYS A 57 -16.337 -9.017 3.972 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.152 -6.626 5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.958 -7.795 5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.237 -6.712 6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.516 -4.836 5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.287 -5.727 3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -19.501 -6.694 4.002 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -19.711 -6.212 5.674 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -19.472 -4.242 3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -21.000 -4.822 3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -20.570 -2.807 5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -20.207 -3.997 6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.952 -3.208 5.393 1.00 0.00 H new ATOM 937 N ASP A 58 -15.579 -9.737 6.146 1.00 0.00 N ATOM 938 CA ASP A 58 -15.150 -10.756 7.116 1.00 0.00 C ATOM 939 C ASP A 58 -13.637 -10.741 7.261 1.00 0.00 C ATOM 940 O ASP A 58 -13.099 -10.785 8.372 1.00 0.00 O ATOM 941 CB ASP A 58 -15.574 -12.176 6.694 1.00 0.00 C ATOM 942 CG ASP A 58 -17.062 -12.484 6.859 1.00 0.00 C ATOM 943 OD1 ASP A 58 -17.469 -13.598 6.458 1.00 0.00 O ATOM 944 OD2 ASP A 58 -17.822 -11.585 7.296 1.00 0.00 O ATOM 0 H ASP A 58 -16.055 -10.121 5.330 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.633 -10.509 8.061 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.302 -12.324 5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.003 -12.898 7.278 1.00 0.00 H new ATOM 949 N ARG A 59 -12.953 -10.679 6.119 1.00 0.00 N ATOM 950 CA ARG A 59 -11.505 -10.659 6.048 1.00 0.00 C ATOM 951 C ARG A 59 -10.989 -9.458 6.840 1.00 0.00 C ATOM 952 O ARG A 59 -10.170 -9.604 7.743 1.00 0.00 O ATOM 953 CB ARG A 59 -11.086 -10.617 4.566 1.00 0.00 C ATOM 954 CG ARG A 59 -11.159 -11.959 3.823 1.00 0.00 C ATOM 955 CD ARG A 59 -12.566 -12.426 3.437 1.00 0.00 C ATOM 956 NE ARG A 59 -12.513 -13.775 2.859 1.00 0.00 N ATOM 957 CZ ARG A 59 -13.563 -14.557 2.597 1.00 0.00 C ATOM 958 NH1 ARG A 59 -14.809 -14.125 2.723 1.00 0.00 N ATOM 959 NH2 ARG A 59 -13.354 -15.811 2.232 1.00 0.00 N ATOM 0 H ARG A 59 -13.404 -10.641 5.205 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.069 -11.555 6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.720 -9.899 4.047 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.064 -10.242 4.505 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.559 -11.885 2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.700 -12.725 4.448 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.211 -12.424 4.316 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.003 -11.732 2.719 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.590 -14.149 2.638 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.989 -13.169 3.028 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.589 -14.749 2.515 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.402 -16.168 2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.145 -16.422 2.028 1.00 0.00 H new ATOM 973 N GLY A 60 -11.543 -8.291 6.542 1.00 0.00 N ATOM 974 CA GLY A 60 -11.238 -7.002 7.127 1.00 0.00 C ATOM 975 C GLY A 60 -11.791 -5.952 6.169 1.00 0.00 C ATOM 976 O GLY A 60 -12.398 -6.303 5.154 1.00 0.00 O ATOM 0 H GLY A 60 -12.271 -8.220 5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.693 -6.906 8.113 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.163 -6.880 7.258 1.00 0.00 H new ATOM 980 N ASN A 61 -11.622 -4.666 6.482 1.00 0.00 N ATOM 981 CA ASN A 61 -12.116 -3.588 5.624 1.00 0.00 C ATOM 982 C ASN A 61 -11.106 -3.330 4.490 1.00 0.00 C ATOM 983 O ASN A 61 -9.959 -2.980 4.795 1.00 0.00 O ATOM 984 CB ASN A 61 -12.363 -2.309 6.434 1.00 0.00 C ATOM 985 CG ASN A 61 -12.873 -1.203 5.514 1.00 0.00 C ATOM 986 OD1 ASN A 61 -13.947 -1.306 4.936 1.00 0.00 O ATOM 987 ND2 ASN A 61 -12.128 -0.123 5.358 1.00 0.00 N ATOM 0 H ASN A 61 -11.146 -4.345 7.325 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.069 -3.891 5.191 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.090 -2.502 7.223 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.441 -1.993 6.921 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.447 0.633 4.752 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.234 -0.045 5.843 1.00 0.00 H new ATOM 994 N PRO A 62 -11.474 -3.518 3.208 1.00 0.00 N ATOM 995 CA PRO A 62 -10.591 -3.294 2.062 1.00 0.00 C ATOM 996 C PRO A 62 -10.349 -1.796 1.835 1.00 0.00 C ATOM 997 O PRO A 62 -11.289 -0.998 1.925 1.00 0.00 O ATOM 998 CB PRO A 62 -11.302 -3.941 0.876 1.00 0.00 C ATOM 999 CG PRO A 62 -12.781 -3.827 1.239 1.00 0.00 C ATOM 1000 CD PRO A 62 -12.794 -3.938 2.757 1.00 0.00 C ATOM 0 HA PRO A 62 -9.603 -3.727 2.216 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.077 -3.424 -0.057 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -11.000 -4.980 0.746 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.203 -2.879 0.904 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.369 -4.619 0.775 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.571 -3.306 3.187 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -13.005 -4.960 3.070 1.00 0.00 H new ATOM 1008 N ILE A 63 -9.110 -1.394 1.528 1.00 0.00 N ATOM 1009 CA ILE A 63 -8.760 0.003 1.292 1.00 0.00 C ATOM 1010 C ILE A 63 -7.758 0.111 0.129 1.00 0.00 C ATOM 1011 O ILE A 63 -7.448 -0.899 -0.515 1.00 0.00 O ATOM 1012 CB ILE A 63 -8.273 0.682 2.594 1.00 0.00 C ATOM 1013 CG1 ILE A 63 -6.961 0.092 3.136 1.00 0.00 C ATOM 1014 CG2 ILE A 63 -9.349 0.661 3.697 1.00 0.00 C ATOM 1015 CD1 ILE A 63 -6.254 1.052 4.105 1.00 0.00 C ATOM 0 H ILE A 63 -8.322 -2.035 1.437 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.651 0.553 0.988 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.076 1.717 2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.170 -0.849 3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.296 -0.138 2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.962 1.149 4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.236 1.191 3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.611 -0.371 3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.332 0.594 4.463 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.020 1.983 3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.908 1.261 4.952 1.00 0.00 H new ATOM 1027 N TYR A 64 -7.288 1.327 -0.187 1.00 0.00 N ATOM 1028 CA TYR A 64 -6.315 1.544 -1.251 1.00 0.00 C ATOM 1029 C TYR A 64 -5.331 2.651 -0.862 1.00 0.00 C ATOM 1030 O TYR A 64 -5.614 3.473 0.014 1.00 0.00 O ATOM 1031 CB TYR A 64 -7.016 1.767 -2.585 1.00 0.00 C ATOM 1032 CG TYR A 64 -6.137 1.637 -3.829 1.00 0.00 C ATOM 1033 CD1 TYR A 64 -6.394 2.460 -4.938 1.00 0.00 C ATOM 1034 CD2 TYR A 64 -5.114 0.668 -3.933 1.00 0.00 C ATOM 1035 CE1 TYR A 64 -5.603 2.392 -6.096 1.00 0.00 C ATOM 1036 CE2 TYR A 64 -4.331 0.583 -5.098 1.00 0.00 C ATOM 1037 CZ TYR A 64 -4.566 1.449 -6.183 1.00 0.00 C ATOM 1038 OH TYR A 64 -3.867 1.331 -7.341 1.00 0.00 O ATOM 0 H TYR A 64 -7.575 2.181 0.291 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.711 0.647 -1.386 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.836 1.054 -2.667 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.459 2.763 -2.579 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -7.216 3.159 -4.899 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.932 -0.011 -3.113 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.792 3.065 -6.920 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.543 -0.153 -5.161 1.00 0.00 H new ATOM 0 HH TYR A 64 -3.010 0.891 -7.162 1.00 0.00 H new ATOM 1048 N LEU A 65 -4.151 2.660 -1.489 1.00 0.00 N ATOM 1049 CA LEU A 65 -3.077 3.603 -1.221 1.00 0.00 C ATOM 1050 C LEU A 65 -2.167 3.699 -2.445 1.00 0.00 C ATOM 1051 O LEU A 65 -2.111 2.765 -3.252 1.00 0.00 O ATOM 1052 CB LEU A 65 -2.327 3.067 0.023 1.00 0.00 C ATOM 1053 CG LEU A 65 -0.973 3.678 0.411 1.00 0.00 C ATOM 1054 CD1 LEU A 65 -0.768 3.471 1.916 1.00 0.00 C ATOM 1055 CD2 LEU A 65 0.212 2.992 -0.282 1.00 0.00 C ATOM 0 H LEU A 65 -3.916 1.987 -2.219 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.446 4.610 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.993 3.178 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.173 1.998 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.999 4.726 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.189 3.898 2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.572 3.963 2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.776 2.404 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.142 3.467 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.233 1.937 -0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.104 3.084 -1.363 1.00 0.00 H new ATOM 1067 N GLY A 66 -1.428 4.799 -2.575 1.00 0.00 N ATOM 1068 CA GLY A 66 -0.504 5.005 -3.683 1.00 0.00 C ATOM 1069 C GLY A 66 0.459 6.143 -3.399 1.00 0.00 C ATOM 1070 O GLY A 66 0.458 6.687 -2.299 1.00 0.00 O ATOM 0 H GLY A 66 -1.455 5.573 -1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.057 4.089 -3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.066 5.221 -4.592 1.00 0.00 H new ATOM 1074 N LEU A 67 1.345 6.444 -4.346 1.00 0.00 N ATOM 1075 CA LEU A 67 2.330 7.512 -4.224 1.00 0.00 C ATOM 1076 C LEU A 67 1.766 8.775 -4.871 1.00 0.00 C ATOM 1077 O LEU A 67 0.856 8.696 -5.694 1.00 0.00 O ATOM 1078 CB LEU A 67 3.646 7.164 -4.955 1.00 0.00 C ATOM 1079 CG LEU A 67 4.177 5.738 -4.849 1.00 0.00 C ATOM 1080 CD1 LEU A 67 5.562 5.713 -5.492 1.00 0.00 C ATOM 1081 CD2 LEU A 67 4.264 5.289 -3.381 1.00 0.00 C ATOM 0 H LEU A 67 1.398 5.944 -5.233 1.00 0.00 H new ATOM 0 HA LEU A 67 2.539 7.653 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.509 7.390 -6.012 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.420 7.835 -4.584 1.00 0.00 H new ATOM 0 HG LEU A 67 3.502 5.051 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.972 4.705 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.483 6.013 -6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.220 6.404 -4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.645 4.269 -3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.936 5.953 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.273 5.327 -2.930 1.00 0.00 H new ATOM 1093 N ASN A 68 2.303 9.946 -4.528 1.00 0.00 N ATOM 1094 CA ASN A 68 1.879 11.212 -5.118 1.00 0.00 C ATOM 1095 C ASN A 68 3.149 11.944 -5.519 1.00 0.00 C ATOM 1096 O ASN A 68 3.719 12.693 -4.726 1.00 0.00 O ATOM 1097 CB ASN A 68 0.943 12.062 -4.255 1.00 0.00 C ATOM 1098 CG ASN A 68 0.351 13.209 -5.064 1.00 0.00 C ATOM 1099 OD1 ASN A 68 0.971 13.712 -5.997 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -0.866 13.628 -4.776 1.00 0.00 N ATOM 0 H ASN A 68 3.044 10.042 -3.833 1.00 0.00 H new ATOM 0 HA ASN A 68 1.248 11.004 -5.982 1.00 0.00 H new ATOM 0 HB2 ASN A 68 0.141 11.439 -3.859 1.00 0.00 H new ATOM 0 HB3 ASN A 68 1.490 12.459 -3.400 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.294 14.371 -5.329 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -1.379 13.209 -4.001 1.00 0.00 H new ATOM 1107 N GLY A 69 3.614 11.688 -6.734 1.00 0.00 N ATOM 1108 CA GLY A 69 4.817 12.289 -7.281 1.00 0.00 C ATOM 1109 C GLY A 69 4.861 12.166 -8.798 1.00 0.00 C ATOM 1110 O GLY A 69 5.171 13.151 -9.466 1.00 0.00 O ATOM 0 H GLY A 69 3.155 11.044 -7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.860 13.341 -6.999 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.694 11.807 -6.850 1.00 0.00 H new ATOM 1114 N LEU A 70 4.456 11.015 -9.343 1.00 0.00 N ATOM 1115 CA LEU A 70 4.459 10.749 -10.786 1.00 0.00 C ATOM 1116 C LEU A 70 3.215 9.959 -11.250 1.00 0.00 C ATOM 1117 O LEU A 70 3.260 9.286 -12.275 1.00 0.00 O ATOM 1118 CB LEU A 70 5.790 10.041 -11.146 1.00 0.00 C ATOM 1119 CG LEU A 70 6.542 10.697 -12.316 1.00 0.00 C ATOM 1120 CD1 LEU A 70 7.888 9.999 -12.523 1.00 0.00 C ATOM 1121 CD2 LEU A 70 5.744 10.671 -13.614 1.00 0.00 C ATOM 0 H LEU A 70 4.112 10.231 -8.788 1.00 0.00 H new ATOM 0 HA LEU A 70 4.397 11.693 -11.327 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.436 10.034 -10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.582 9.001 -11.397 1.00 0.00 H new ATOM 0 HG LEU A 70 6.697 11.743 -12.053 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.417 10.467 -13.353 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.486 10.086 -11.616 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.721 8.946 -12.748 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.322 11.147 -14.406 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.532 9.638 -13.890 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.806 11.209 -13.476 1.00 0.00 H new ATOM 1133 N ASN A 71 2.105 10.018 -10.497 1.00 0.00 N ATOM 1134 CA ASN A 71 0.829 9.320 -10.772 1.00 0.00 C ATOM 1135 C ASN A 71 1.052 7.802 -10.810 1.00 0.00 C ATOM 1136 O ASN A 71 1.036 7.161 -11.865 1.00 0.00 O ATOM 1137 CB ASN A 71 0.150 9.821 -12.061 1.00 0.00 C ATOM 1138 CG ASN A 71 0.078 11.331 -12.152 1.00 0.00 C ATOM 1139 OD1 ASN A 71 0.689 11.944 -13.021 1.00 0.00 O ATOM 1140 ND2 ASN A 71 -0.635 11.986 -11.258 1.00 0.00 N ATOM 0 H ASN A 71 2.066 10.575 -9.644 1.00 0.00 H new ATOM 0 HA ASN A 71 0.145 9.552 -9.956 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.695 9.438 -12.923 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.859 9.412 -12.114 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.679 13.005 -11.288 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.142 11.474 -10.536 1.00 0.00 H new ATOM 1147 N LEU A 72 1.266 7.217 -9.628 1.00 0.00 N ATOM 1148 CA LEU A 72 1.550 5.797 -9.441 1.00 0.00 C ATOM 1149 C LEU A 72 0.944 5.308 -8.136 1.00 0.00 C ATOM 1150 O LEU A 72 1.057 5.997 -7.123 1.00 0.00 O ATOM 1151 CB LEU A 72 3.077 5.543 -9.323 1.00 0.00 C ATOM 1152 CG LEU A 72 4.031 6.650 -9.814 1.00 0.00 C ATOM 1153 CD1 LEU A 72 4.170 7.776 -8.785 1.00 0.00 C ATOM 1154 CD2 LEU A 72 5.438 6.103 -9.978 1.00 0.00 C ATOM 0 H LEU A 72 1.245 7.737 -8.751 1.00 0.00 H new ATOM 0 HA LEU A 72 1.133 5.276 -10.303 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.304 5.346 -8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.309 4.632 -9.875 1.00 0.00 H new ATOM 0 HG LEU A 72 3.608 7.014 -10.750 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.850 8.537 -9.168 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.193 8.223 -8.600 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.566 7.371 -7.854 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.099 6.897 -10.325 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.796 5.726 -9.020 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.431 5.293 -10.707 1.00 0.00 H new ATOM 1166 N CYS A 73 0.344 4.119 -8.112 1.00 0.00 N ATOM 1167 CA CYS A 73 -0.231 3.540 -6.898 1.00 0.00 C ATOM 1168 C CYS A 73 0.067 2.049 -6.853 1.00 0.00 C ATOM 1169 O CYS A 73 0.701 1.525 -7.770 1.00 0.00 O ATOM 1170 CB CYS A 73 -1.728 3.813 -6.743 1.00 0.00 C ATOM 1171 SG CYS A 73 -2.098 5.563 -7.057 1.00 0.00 S ATOM 0 H CYS A 73 0.242 3.528 -8.937 1.00 0.00 H new ATOM 0 HA CYS A 73 0.242 4.033 -6.049 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.290 3.187 -7.436 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.050 3.543 -5.737 1.00 0.00 H new ATOM 0 HG CYS A 73 -1.169 6.304 -6.530 1.00 0.00 H new ATOM 1177 N LEU A 74 -0.345 1.375 -5.777 1.00 0.00 N ATOM 1178 CA LEU A 74 -0.105 -0.055 -5.629 1.00 0.00 C ATOM 1179 C LEU A 74 -0.798 -0.801 -6.756 1.00 0.00 C ATOM 1180 O LEU A 74 -1.833 -0.349 -7.254 1.00 0.00 O ATOM 1181 CB LEU A 74 -0.603 -0.572 -4.287 1.00 0.00 C ATOM 1182 CG LEU A 74 0.135 0.077 -3.107 1.00 0.00 C ATOM 1183 CD1 LEU A 74 -0.737 -0.111 -1.878 1.00 0.00 C ATOM 1184 CD2 LEU A 74 1.513 -0.527 -2.851 1.00 0.00 C ATOM 0 H LEU A 74 -0.846 1.800 -4.997 1.00 0.00 H new ATOM 0 HA LEU A 74 0.971 -0.225 -5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.671 -0.376 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.473 -1.653 -4.245 1.00 0.00 H new ATOM 0 HG LEU A 74 0.304 1.128 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.248 0.337 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.702 0.370 -2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.888 -1.175 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.980 -0.023 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.409 -1.589 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.136 -0.401 -3.737 1.00 0.00 H new ATOM 1196 N MET A 75 -0.260 -1.952 -7.148 1.00 0.00 N ATOM 1197 CA MET A 75 -0.847 -2.718 -8.236 1.00 0.00 C ATOM 1198 C MET A 75 -0.424 -4.155 -8.004 1.00 0.00 C ATOM 1199 O MET A 75 0.680 -4.383 -7.488 1.00 0.00 O ATOM 1200 CB MET A 75 -0.287 -2.192 -9.572 1.00 0.00 C ATOM 1201 CG MET A 75 -1.294 -2.012 -10.708 1.00 0.00 C ATOM 1202 SD MET A 75 -0.544 -2.053 -12.359 1.00 0.00 S ATOM 1203 CE MET A 75 -0.410 -3.842 -12.618 1.00 0.00 C ATOM 0 H MET A 75 0.573 -2.369 -6.732 1.00 0.00 H new ATOM 0 HA MET A 75 -1.933 -2.635 -8.272 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.194 -1.231 -9.386 1.00 0.00 H new ATOM 0 HB3 MET A 75 0.490 -2.877 -9.910 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.048 -2.796 -10.641 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.811 -1.061 -10.577 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.304 -4.041 -13.417 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.068 -4.318 -11.699 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.385 -4.244 -12.894 1.00 0.00 H new ATOM 1213 N CYS A 76 -1.256 -5.112 -8.397 1.00 0.00 N ATOM 1214 CA CYS A 76 -0.960 -6.519 -8.236 1.00 0.00 C ATOM 1215 C CYS A 76 -1.059 -7.177 -9.589 1.00 0.00 C ATOM 1216 O CYS A 76 -2.053 -7.024 -10.297 1.00 0.00 O ATOM 1217 CB CYS A 76 -1.882 -7.204 -7.225 1.00 0.00 C ATOM 1218 SG CYS A 76 -2.086 -6.192 -5.727 1.00 0.00 S ATOM 0 H CYS A 76 -2.157 -4.927 -8.837 1.00 0.00 H new ATOM 0 HA CYS A 76 0.048 -6.621 -7.834 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.856 -7.384 -7.681 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.471 -8.177 -6.956 1.00 0.00 H new ATOM 0 HG CYS A 76 -3.068 -5.357 -5.898 1.00 0.00 H new ATOM 1224 N ALA A 77 0.013 -7.867 -9.944 1.00 0.00 N ATOM 1225 CA ALA A 77 0.131 -8.603 -11.188 1.00 0.00 C ATOM 1226 C ALA A 77 0.624 -10.008 -10.857 1.00 0.00 C ATOM 1227 O ALA A 77 0.788 -10.314 -9.675 1.00 0.00 O ATOM 1228 CB ALA A 77 1.073 -7.847 -12.115 1.00 0.00 C ATOM 0 H ALA A 77 0.846 -7.931 -9.358 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.824 -8.695 -11.705 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.171 -8.390 -13.055 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.671 -6.853 -12.310 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.052 -7.757 -11.644 1.00 0.00 H new ATOM 1234 N LYS A 78 0.837 -10.869 -11.853 1.00 0.00 N ATOM 1235 CA LYS A 78 1.328 -12.231 -11.686 1.00 0.00 C ATOM 1236 C LYS A 78 2.430 -12.357 -12.721 1.00 0.00 C ATOM 1237 O LYS A 78 2.179 -12.175 -13.913 1.00 0.00 O ATOM 1238 CB LYS A 78 0.178 -13.253 -11.828 1.00 0.00 C ATOM 1239 CG LYS A 78 0.572 -14.704 -11.475 1.00 0.00 C ATOM 1240 CD LYS A 78 -0.625 -15.530 -10.952 1.00 0.00 C ATOM 1241 CE LYS A 78 -0.291 -17.023 -10.818 1.00 0.00 C ATOM 1242 NZ LYS A 78 -1.422 -17.797 -10.258 1.00 0.00 N ATOM 0 H LYS A 78 0.666 -10.626 -12.829 1.00 0.00 H new ATOM 0 HA LYS A 78 1.724 -12.443 -10.693 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.647 -12.946 -11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.191 -13.228 -12.853 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.987 -15.190 -12.358 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.358 -14.691 -10.720 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.935 -15.141 -9.982 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.470 -15.409 -11.629 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.026 -17.424 -11.796 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.583 -17.143 -10.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.154 -18.799 -10.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.659 -17.432 -9.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.249 -17.705 -10.882 1.00 0.00 H new ATOM 1256 N VAL A 79 3.661 -12.614 -12.284 1.00 0.00 N ATOM 1257 CA VAL A 79 4.817 -12.747 -13.182 1.00 0.00 C ATOM 1258 C VAL A 79 4.796 -14.091 -13.921 1.00 0.00 C ATOM 1259 O VAL A 79 5.848 -14.672 -14.178 1.00 0.00 O ATOM 1260 CB VAL A 79 6.138 -12.495 -12.412 1.00 0.00 C ATOM 1261 CG1 VAL A 79 6.175 -11.034 -11.953 1.00 0.00 C ATOM 1262 CG2 VAL A 79 6.345 -13.419 -11.200 1.00 0.00 C ATOM 0 H VAL A 79 3.890 -12.737 -11.298 1.00 0.00 H new ATOM 0 HA VAL A 79 4.753 -11.979 -13.953 1.00 0.00 H new ATOM 0 HB VAL A 79 6.950 -12.718 -13.104 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.101 -10.847 -11.410 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.125 -10.378 -12.822 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.325 -10.836 -11.300 1.00 0.00 H new ATOM 0 HG21 VAL A 79 7.292 -13.178 -10.716 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.529 -13.278 -10.491 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.361 -14.457 -11.532 1.00 0.00 H new ATOM 1272 N GLY A 80 3.613 -14.647 -14.197 1.00 0.00 N ATOM 1273 CA GLY A 80 3.455 -15.927 -14.870 1.00 0.00 C ATOM 1274 C GLY A 80 3.693 -17.105 -13.927 1.00 0.00 C ATOM 1275 O GLY A 80 3.488 -18.251 -14.317 1.00 0.00 O ATOM 0 H GLY A 80 2.726 -14.207 -13.952 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.451 -15.995 -15.288 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.152 -15.985 -15.706 1.00 0.00 H new ATOM 1279 N ASP A 81 4.080 -16.826 -12.679 1.00 0.00 N ATOM 1280 CA ASP A 81 4.366 -17.821 -11.656 1.00 0.00 C ATOM 1281 C ASP A 81 3.587 -17.565 -10.377 1.00 0.00 C ATOM 1282 O ASP A 81 2.751 -18.376 -9.969 1.00 0.00 O ATOM 1283 CB ASP A 81 5.882 -17.897 -11.398 1.00 0.00 C ATOM 1284 CG ASP A 81 6.222 -19.080 -10.483 1.00 0.00 C ATOM 1285 OD1 ASP A 81 6.338 -20.213 -11.002 1.00 0.00 O ATOM 1286 OD2 ASP A 81 6.316 -18.874 -9.254 1.00 0.00 O ATOM 0 H ASP A 81 4.205 -15.869 -12.348 1.00 0.00 H new ATOM 0 HA ASP A 81 4.033 -18.791 -12.026 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.412 -18.001 -12.345 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.224 -16.968 -10.941 1.00 0.00 H new ATOM 1291 N GLN A 82 3.777 -16.376 -9.816 1.00 0.00 N ATOM 1292 CA GLN A 82 3.187 -15.926 -8.562 1.00 0.00 C ATOM 1293 C GLN A 82 2.871 -14.427 -8.612 1.00 0.00 C ATOM 1294 O GLN A 82 3.373 -13.734 -9.509 1.00 0.00 O ATOM 1295 CB GLN A 82 4.213 -16.240 -7.456 1.00 0.00 C ATOM 1296 CG GLN A 82 5.654 -15.881 -7.865 1.00 0.00 C ATOM 1297 CD GLN A 82 6.575 -15.838 -6.654 1.00 0.00 C ATOM 1298 OE1 GLN A 82 6.671 -14.836 -5.948 1.00 0.00 O ATOM 1299 NE2 GLN A 82 7.214 -16.956 -6.353 1.00 0.00 N ATOM 0 H GLN A 82 4.374 -15.668 -10.243 1.00 0.00 H new ATOM 0 HA GLN A 82 2.242 -16.435 -8.370 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.948 -15.690 -6.553 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.163 -17.301 -7.210 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.025 -16.614 -8.581 1.00 0.00 H new ATOM 0 HG3 GLN A 82 5.662 -14.913 -8.366 1.00 0.00 H new ATOM 0 HE21 GLN A 82 7.119 -17.775 -6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.801 -16.999 -5.520 1.00 0.00 H new ATOM 1308 N PRO A 83 2.039 -13.913 -7.687 1.00 0.00 N ATOM 1309 CA PRO A 83 1.690 -12.502 -7.686 1.00 0.00 C ATOM 1310 C PRO A 83 2.836 -11.595 -7.216 1.00 0.00 C ATOM 1311 O PRO A 83 3.639 -11.999 -6.368 1.00 0.00 O ATOM 1312 CB PRO A 83 0.467 -12.392 -6.776 1.00 0.00 C ATOM 1313 CG PRO A 83 0.689 -13.515 -5.764 1.00 0.00 C ATOM 1314 CD PRO A 83 1.366 -14.609 -6.587 1.00 0.00 C ATOM 0 HA PRO A 83 1.481 -12.156 -8.698 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.411 -11.417 -6.291 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.462 -12.526 -7.330 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.317 -13.190 -4.935 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.252 -13.860 -5.335 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.079 -15.170 -5.983 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.636 -15.325 -6.964 1.00 0.00 H new ATOM 1322 N THR A 84 2.907 -10.362 -7.735 1.00 0.00 N ATOM 1323 CA THR A 84 3.928 -9.386 -7.362 1.00 0.00 C ATOM 1324 C THR A 84 3.349 -7.971 -7.397 1.00 0.00 C ATOM 1325 O THR A 84 2.206 -7.761 -7.832 1.00 0.00 O ATOM 1326 CB THR A 84 5.202 -9.504 -8.229 1.00 0.00 C ATOM 1327 OG1 THR A 84 5.003 -9.059 -9.557 1.00 0.00 O ATOM 1328 CG2 THR A 84 5.802 -10.912 -8.296 1.00 0.00 C ATOM 0 H THR A 84 2.248 -10.015 -8.432 1.00 0.00 H new ATOM 0 HA THR A 84 4.236 -9.606 -6.340 1.00 0.00 H new ATOM 0 HB THR A 84 5.907 -8.854 -7.711 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.867 -9.001 -10.016 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.692 -10.899 -8.926 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.072 -11.240 -7.292 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.069 -11.600 -8.718 1.00 0.00 H new ATOM 1336 N LEU A 85 4.108 -7.002 -6.878 1.00 0.00 N ATOM 1337 CA LEU A 85 3.741 -5.586 -6.829 1.00 0.00 C ATOM 1338 C LEU A 85 4.221 -4.879 -8.097 1.00 0.00 C ATOM 1339 O LEU A 85 5.312 -5.170 -8.590 1.00 0.00 O ATOM 1340 CB LEU A 85 4.340 -4.963 -5.559 1.00 0.00 C ATOM 1341 CG LEU A 85 3.385 -5.109 -4.353 1.00 0.00 C ATOM 1342 CD1 LEU A 85 4.172 -5.502 -3.131 1.00 0.00 C ATOM 1343 CD2 LEU A 85 2.535 -3.898 -4.024 1.00 0.00 C ATOM 0 H LEU A 85 5.023 -7.188 -6.468 1.00 0.00 H new ATOM 0 HA LEU A 85 2.658 -5.473 -6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.292 -5.443 -5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.549 -3.908 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 85 2.677 -5.881 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.497 -5.605 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.675 -6.452 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.915 -4.734 -2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.906 -4.118 -3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.182 -3.051 -3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.905 -3.653 -4.879 1.00 0.00 H new ATOM 1355 N GLN A 86 3.413 -3.944 -8.618 1.00 0.00 N ATOM 1356 CA GLN A 86 3.750 -3.187 -9.829 1.00 0.00 C ATOM 1357 C GLN A 86 3.321 -1.729 -9.661 1.00 0.00 C ATOM 1358 O GLN A 86 2.413 -1.244 -10.326 1.00 0.00 O ATOM 1359 CB GLN A 86 3.127 -3.849 -11.076 1.00 0.00 C ATOM 1360 CG GLN A 86 3.896 -5.085 -11.566 1.00 0.00 C ATOM 1361 CD GLN A 86 3.830 -5.172 -13.089 1.00 0.00 C ATOM 1362 OE1 GLN A 86 2.833 -5.806 -13.685 1.00 0.00 O flip ATOM 1363 NE2 GLN A 86 4.656 -4.592 -13.776 1.00 0.00 N flip ATOM 0 H GLN A 86 2.511 -3.693 -8.212 1.00 0.00 H new ATOM 0 HA GLN A 86 4.830 -3.197 -9.979 1.00 0.00 H new ATOM 0 HB2 GLN A 86 2.100 -4.137 -10.849 1.00 0.00 H new ATOM 0 HB3 GLN A 86 3.082 -3.116 -11.882 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.935 -5.029 -11.242 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.472 -5.986 -11.123 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.431 -4.098 -13.334 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.571 -4.601 -14.792 1.00 0.00 H new ATOM 1372 N LEU A 87 3.980 -0.997 -8.772 1.00 0.00 N ATOM 1373 CA LEU A 87 3.664 0.385 -8.487 1.00 0.00 C ATOM 1374 C LEU A 87 4.383 1.232 -9.501 1.00 0.00 C ATOM 1375 O LEU A 87 5.603 1.324 -9.434 1.00 0.00 O ATOM 1376 CB LEU A 87 4.000 0.798 -7.041 1.00 0.00 C ATOM 1377 CG LEU A 87 4.192 -0.303 -5.982 1.00 0.00 C ATOM 1378 CD1 LEU A 87 3.133 -1.395 -6.083 1.00 0.00 C ATOM 1379 CD2 LEU A 87 5.586 -0.939 -6.061 1.00 0.00 C ATOM 0 H LEU A 87 4.760 -1.358 -8.223 1.00 0.00 H new ATOM 0 HA LEU A 87 2.587 0.532 -8.566 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.914 1.391 -7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.205 1.457 -6.692 1.00 0.00 H new ATOM 0 HG LEU A 87 4.085 0.194 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.312 -2.148 -5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.145 -0.958 -5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.184 -1.861 -7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.678 -1.710 -5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.727 -1.385 -7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.345 -0.174 -5.898 1.00 0.00 H new ATOM 1391 N LYS A 88 3.630 1.780 -10.450 1.00 0.00 N ATOM 1392 CA LYS A 88 4.181 2.616 -11.514 1.00 0.00 C ATOM 1393 C LYS A 88 3.104 3.440 -12.219 1.00 0.00 C ATOM 1394 O LYS A 88 3.262 4.637 -12.431 1.00 0.00 O ATOM 1395 CB LYS A 88 4.750 1.768 -12.671 1.00 0.00 C ATOM 1396 CG LYS A 88 5.794 0.667 -12.471 1.00 0.00 C ATOM 1397 CD LYS A 88 5.119 -0.688 -12.215 1.00 0.00 C ATOM 1398 CE LYS A 88 5.324 -1.681 -13.366 1.00 0.00 C ATOM 1399 NZ LYS A 88 4.619 -1.372 -14.630 1.00 0.00 N ATOM 0 H LYS A 88 2.619 1.657 -10.504 1.00 0.00 H new ATOM 0 HA LYS A 88 4.929 3.227 -11.008 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.895 1.297 -13.157 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.177 2.471 -13.387 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.431 0.600 -13.353 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.440 0.921 -11.630 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.515 -1.118 -11.295 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.051 -0.533 -12.060 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.392 -1.746 -13.576 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.005 -2.667 -13.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.268 -1.507 -15.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.802 -2.007 -14.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.291 -0.385 -14.612 1.00 0.00 H new ATOM 1413 N GLU A 89 1.965 2.806 -12.516 1.00 0.00 N ATOM 1414 CA GLU A 89 0.884 3.409 -13.270 1.00 0.00 C ATOM 1415 C GLU A 89 -0.499 3.050 -12.729 1.00 0.00 C ATOM 1416 O GLU A 89 -1.054 1.995 -13.043 1.00 0.00 O ATOM 1417 CB GLU A 89 1.107 2.946 -14.735 1.00 0.00 C ATOM 1418 CG GLU A 89 1.157 1.412 -14.964 1.00 0.00 C ATOM 1419 CD GLU A 89 2.249 0.989 -15.963 1.00 0.00 C ATOM 1420 OE1 GLU A 89 1.942 0.686 -17.141 1.00 0.00 O ATOM 1421 OE2 GLU A 89 3.432 0.898 -15.550 1.00 0.00 O ATOM 0 H GLU A 89 1.775 1.845 -12.231 1.00 0.00 H new ATOM 0 HA GLU A 89 0.902 4.496 -13.191 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.309 3.359 -15.351 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.042 3.377 -15.093 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.331 0.913 -14.011 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.187 1.073 -15.329 1.00 0.00 H new ATOM 1428 N LYS A 90 -1.045 3.892 -11.847 1.00 0.00 N ATOM 1429 CA LYS A 90 -2.360 3.688 -11.256 1.00 0.00 C ATOM 1430 C LYS A 90 -2.790 4.980 -10.553 1.00 0.00 C ATOM 1431 O LYS A 90 -1.972 5.890 -10.393 1.00 0.00 O ATOM 1432 CB LYS A 90 -2.297 2.513 -10.262 1.00 0.00 C ATOM 1433 CG LYS A 90 -3.234 1.344 -10.569 1.00 0.00 C ATOM 1434 CD LYS A 90 -4.724 1.696 -10.434 1.00 0.00 C ATOM 1435 CE LYS A 90 -5.408 1.890 -11.788 1.00 0.00 C ATOM 1436 NZ LYS A 90 -6.646 2.689 -11.694 1.00 0.00 N ATOM 0 H LYS A 90 -0.579 4.740 -11.524 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.092 3.445 -12.026 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.274 2.138 -10.233 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.527 2.889 -9.265 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.043 0.993 -11.583 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.002 0.518 -9.897 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.232 0.904 -9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.826 2.608 -9.846 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.716 2.380 -12.473 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.642 0.915 -12.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.391 2.244 -12.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.955 2.736 -10.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.466 3.651 -12.046 1.00 0.00 H new ATOM 1450 N ASP A 91 -4.038 5.043 -10.080 1.00 0.00 N ATOM 1451 CA ASP A 91 -4.627 6.177 -9.372 1.00 0.00 C ATOM 1452 C ASP A 91 -5.605 5.667 -8.332 1.00 0.00 C ATOM 1453 O ASP A 91 -6.373 4.753 -8.635 1.00 0.00 O ATOM 1454 CB ASP A 91 -5.429 7.064 -10.332 1.00 0.00 C ATOM 1455 CG ASP A 91 -4.525 7.812 -11.297 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -4.380 7.336 -12.448 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -3.981 8.863 -10.890 1.00 0.00 O ATOM 0 H ASP A 91 -4.693 4.268 -10.186 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.814 6.745 -8.920 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.131 6.449 -10.895 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.020 7.779 -9.759 1.00 0.00 H new ATOM 1462 N ILE A 92 -5.608 6.281 -7.144 1.00 0.00 N ATOM 1463 CA ILE A 92 -6.498 5.920 -6.035 1.00 0.00 C ATOM 1464 C ILE A 92 -7.826 6.665 -6.133 1.00 0.00 C ATOM 1465 O ILE A 92 -8.883 6.048 -6.012 1.00 0.00 O ATOM 1466 CB ILE A 92 -5.864 6.219 -4.646 1.00 0.00 C ATOM 1467 CG1 ILE A 92 -4.389 5.796 -4.479 1.00 0.00 C ATOM 1468 CG2 ILE A 92 -6.648 5.567 -3.502 1.00 0.00 C ATOM 1469 CD1 ILE A 92 -3.497 7.041 -4.442 1.00 0.00 C ATOM 0 H ILE A 92 -4.982 7.055 -6.922 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.665 4.846 -6.119 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.909 7.307 -4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.267 5.222 -3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.091 5.147 -5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.169 5.803 -2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.669 5.948 -3.498 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.664 4.486 -3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.456 6.740 -4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.610 7.598 -5.372 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.789 7.673 -3.603 1.00 0.00 H new ATOM 1481 N MET A 93 -7.779 7.982 -6.350 1.00 0.00 N ATOM 1482 CA MET A 93 -8.982 8.798 -6.425 1.00 0.00 C ATOM 1483 C MET A 93 -9.883 8.343 -7.566 1.00 0.00 C ATOM 1484 O MET A 93 -11.092 8.486 -7.459 1.00 0.00 O ATOM 1485 CB MET A 93 -8.646 10.293 -6.529 1.00 0.00 C ATOM 1486 CG MET A 93 -9.674 11.133 -5.749 1.00 0.00 C ATOM 1487 SD MET A 93 -9.201 11.491 -4.033 1.00 0.00 S ATOM 1488 CE MET A 93 -10.798 11.833 -3.246 1.00 0.00 C ATOM 0 H MET A 93 -6.912 8.504 -6.477 1.00 0.00 H new ATOM 0 HA MET A 93 -9.533 8.659 -5.495 1.00 0.00 H new ATOM 0 HB2 MET A 93 -7.646 10.475 -6.136 1.00 0.00 H new ATOM 0 HB3 MET A 93 -8.638 10.598 -7.575 1.00 0.00 H new ATOM 0 HG2 MET A 93 -9.829 12.075 -6.275 1.00 0.00 H new ATOM 0 HG3 MET A 93 -10.629 10.608 -5.748 1.00 0.00 H new ATOM 0 HE1 MET A 93 -10.722 12.742 -2.649 1.00 0.00 H new ATOM 0 HE2 MET A 93 -11.561 11.965 -4.013 1.00 0.00 H new ATOM 0 HE3 MET A 93 -11.072 10.998 -2.602 1.00 0.00 H new ATOM 1498 N ASP A 94 -9.330 7.762 -8.634 1.00 0.00 N ATOM 1499 CA ASP A 94 -10.150 7.297 -9.749 1.00 0.00 C ATOM 1500 C ASP A 94 -11.040 6.143 -9.288 1.00 0.00 C ATOM 1501 O ASP A 94 -12.261 6.203 -9.417 1.00 0.00 O ATOM 1502 CB ASP A 94 -9.287 6.895 -10.943 1.00 0.00 C ATOM 1503 CG ASP A 94 -10.172 6.804 -12.183 1.00 0.00 C ATOM 1504 OD1 ASP A 94 -10.717 5.721 -12.460 1.00 0.00 O ATOM 1505 OD2 ASP A 94 -10.343 7.840 -12.872 1.00 0.00 O ATOM 0 H ASP A 94 -8.329 7.605 -8.747 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.788 8.116 -10.081 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.494 7.627 -11.098 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.804 5.937 -10.753 1.00 0.00 H new ATOM 1510 N LEU A 95 -10.434 5.123 -8.668 1.00 0.00 N ATOM 1511 CA LEU A 95 -11.158 3.948 -8.165 1.00 0.00 C ATOM 1512 C LEU A 95 -12.133 4.329 -7.066 1.00 0.00 C ATOM 1513 O LEU A 95 -13.085 3.607 -6.791 1.00 0.00 O ATOM 1514 CB LEU A 95 -10.193 2.947 -7.543 1.00 0.00 C ATOM 1515 CG LEU A 95 -9.075 2.433 -8.460 1.00 0.00 C ATOM 1516 CD1 LEU A 95 -8.303 1.327 -7.727 1.00 0.00 C ATOM 1517 CD2 LEU A 95 -9.582 1.893 -9.799 1.00 0.00 C ATOM 0 H LEU A 95 -9.428 5.089 -8.501 1.00 0.00 H new ATOM 0 HA LEU A 95 -11.682 3.522 -9.020 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.735 3.409 -6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.767 2.091 -7.188 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.433 3.284 -8.690 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -7.505 0.953 -8.369 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.872 1.730 -6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.982 0.511 -7.480 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.737 1.547 -10.395 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.265 1.062 -9.621 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.105 2.684 -10.336 1.00 0.00 H new ATOM 1529 N TYR A 96 -11.848 5.404 -6.346 1.00 0.00 N ATOM 1530 CA TYR A 96 -12.711 5.898 -5.290 1.00 0.00 C ATOM 1531 C TYR A 96 -13.838 6.750 -5.882 1.00 0.00 C ATOM 1532 O TYR A 96 -14.913 6.854 -5.300 1.00 0.00 O ATOM 1533 CB TYR A 96 -11.862 6.741 -4.349 1.00 0.00 C ATOM 1534 CG TYR A 96 -12.648 7.368 -3.222 1.00 0.00 C ATOM 1535 CD1 TYR A 96 -13.165 6.562 -2.195 1.00 0.00 C ATOM 1536 CD2 TYR A 96 -12.858 8.759 -3.201 1.00 0.00 C ATOM 1537 CE1 TYR A 96 -13.883 7.145 -1.144 1.00 0.00 C ATOM 1538 CE2 TYR A 96 -13.575 9.348 -2.144 1.00 0.00 C ATOM 1539 CZ TYR A 96 -14.095 8.539 -1.112 1.00 0.00 C ATOM 1540 OH TYR A 96 -14.785 9.099 -0.087 1.00 0.00 O ATOM 0 H TYR A 96 -11.004 5.960 -6.481 1.00 0.00 H new ATOM 0 HA TYR A 96 -13.163 5.064 -4.752 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -11.074 6.117 -3.928 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -11.373 7.529 -4.922 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -13.009 5.494 -2.216 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.468 9.375 -3.998 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -14.277 6.524 -0.353 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -13.727 10.417 -2.123 1.00 0.00 H new ATOM 0 HH TYR A 96 -14.156 9.443 0.581 1.00 0.00 H new ATOM 1550 N ASN A 97 -13.619 7.389 -7.026 1.00 0.00 N ATOM 1551 CA ASN A 97 -14.584 8.242 -7.700 1.00 0.00 C ATOM 1552 C ASN A 97 -15.623 7.421 -8.449 1.00 0.00 C ATOM 1553 O ASN A 97 -16.791 7.813 -8.482 1.00 0.00 O ATOM 1554 CB ASN A 97 -13.808 9.154 -8.658 1.00 0.00 C ATOM 1555 CG ASN A 97 -14.683 9.853 -9.681 1.00 0.00 C ATOM 1556 OD1 ASN A 97 -15.206 10.931 -9.418 1.00 0.00 O ATOM 1557 ND2 ASN A 97 -14.801 9.292 -10.873 1.00 0.00 N ATOM 0 H ASN A 97 -12.732 7.323 -7.525 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.129 8.838 -6.968 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.274 9.905 -8.077 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.057 8.562 -9.180 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -15.339 9.757 -11.604 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.354 8.395 -11.061 1.00 0.00 H new ATOM 1564 N GLN A 98 -15.234 6.301 -9.055 1.00 0.00 N ATOM 1565 CA GLN A 98 -16.173 5.448 -9.777 1.00 0.00 C ATOM 1566 C GLN A 98 -16.375 4.158 -8.976 1.00 0.00 C ATOM 1567 O GLN A 98 -15.514 3.814 -8.174 1.00 0.00 O ATOM 1568 CB GLN A 98 -15.710 5.241 -11.224 1.00 0.00 C ATOM 1569 CG GLN A 98 -14.287 4.689 -11.401 1.00 0.00 C ATOM 1570 CD GLN A 98 -14.067 4.067 -12.776 1.00 0.00 C ATOM 1571 OE1 GLN A 98 -15.004 3.580 -13.410 1.00 0.00 O ATOM 1572 NE2 GLN A 98 -12.863 4.123 -13.308 1.00 0.00 N ATOM 0 H GLN A 98 -14.272 5.963 -9.060 1.00 0.00 H new ATOM 0 HA GLN A 98 -17.151 5.920 -9.866 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -16.406 4.561 -11.714 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.776 6.195 -11.746 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -13.568 5.494 -11.251 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -14.093 3.941 -10.632 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -12.090 4.527 -12.779 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -12.704 3.762 -14.249 1.00 0.00 H new ATOM 1581 N PRO A 99 -17.476 3.415 -9.162 1.00 0.00 N ATOM 1582 CA PRO A 99 -17.743 2.181 -8.423 1.00 0.00 C ATOM 1583 C PRO A 99 -16.921 0.995 -8.968 1.00 0.00 C ATOM 1584 O PRO A 99 -17.463 -0.080 -9.215 1.00 0.00 O ATOM 1585 CB PRO A 99 -19.260 2.010 -8.559 1.00 0.00 C ATOM 1586 CG PRO A 99 -19.528 2.530 -9.970 1.00 0.00 C ATOM 1587 CD PRO A 99 -18.577 3.715 -10.071 1.00 0.00 C ATOM 0 HA PRO A 99 -17.440 2.222 -7.377 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -19.562 0.969 -8.446 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -19.802 2.583 -7.806 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -19.317 1.775 -10.727 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -20.567 2.831 -10.101 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -18.218 3.843 -11.092 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -19.076 4.643 -9.790 1.00 0.00 H new ATOM 1595 N GLU A 100 -15.607 1.156 -9.133 1.00 0.00 N ATOM 1596 CA GLU A 100 -14.696 0.133 -9.653 1.00 0.00 C ATOM 1597 C GLU A 100 -13.653 -0.263 -8.600 1.00 0.00 C ATOM 1598 O GLU A 100 -12.485 0.128 -8.673 1.00 0.00 O ATOM 1599 CB GLU A 100 -14.084 0.604 -10.985 1.00 0.00 C ATOM 1600 CG GLU A 100 -15.064 0.433 -12.156 1.00 0.00 C ATOM 1601 CD GLU A 100 -14.936 -0.958 -12.783 1.00 0.00 C ATOM 1602 OE1 GLU A 100 -15.227 -1.992 -12.140 1.00 0.00 O ATOM 1603 OE2 GLU A 100 -14.479 -1.045 -13.944 1.00 0.00 O ATOM 0 H GLU A 100 -15.132 2.029 -8.902 1.00 0.00 H new ATOM 0 HA GLU A 100 -15.253 -0.779 -9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -13.796 1.652 -10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -13.174 0.039 -11.187 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -16.085 0.585 -11.805 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.870 1.195 -12.911 1.00 0.00 H new ATOM 1610 N PRO A 101 -14.048 -1.038 -7.577 1.00 0.00 N ATOM 1611 CA PRO A 101 -13.133 -1.500 -6.551 1.00 0.00 C ATOM 1612 C PRO A 101 -12.340 -2.685 -7.136 1.00 0.00 C ATOM 1613 O PRO A 101 -12.667 -3.851 -6.908 1.00 0.00 O ATOM 1614 CB PRO A 101 -14.054 -1.888 -5.404 1.00 0.00 C ATOM 1615 CG PRO A 101 -15.316 -2.411 -6.089 1.00 0.00 C ATOM 1616 CD PRO A 101 -15.393 -1.556 -7.346 1.00 0.00 C ATOM 0 HA PRO A 101 -12.393 -0.777 -6.209 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -13.600 -2.651 -4.771 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -14.274 -1.033 -4.765 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.238 -3.472 -6.325 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -16.198 -2.288 -5.461 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -15.733 -2.147 -8.197 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -16.106 -0.741 -7.218 1.00 0.00 H new ATOM 1624 N VAL A 102 -11.301 -2.398 -7.920 1.00 0.00 N ATOM 1625 CA VAL A 102 -10.475 -3.399 -8.575 1.00 0.00 C ATOM 1626 C VAL A 102 -9.665 -4.092 -7.496 1.00 0.00 C ATOM 1627 O VAL A 102 -8.614 -3.596 -7.086 1.00 0.00 O ATOM 1628 CB VAL A 102 -9.583 -2.778 -9.667 1.00 0.00 C ATOM 1629 CG1 VAL A 102 -8.815 -3.867 -10.431 1.00 0.00 C ATOM 1630 CG2 VAL A 102 -10.390 -1.965 -10.686 1.00 0.00 C ATOM 0 H VAL A 102 -11.008 -1.441 -8.118 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.099 -4.126 -9.094 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.891 -2.113 -9.149 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -8.192 -3.404 -11.197 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -8.184 -4.422 -9.737 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.523 -4.549 -10.902 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.716 -1.548 -11.435 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -11.118 -2.613 -11.174 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -10.910 -1.155 -10.175 1.00 0.00 H new ATOM 1640 N LYS A 103 -10.131 -5.258 -7.048 1.00 0.00 N ATOM 1641 CA LYS A 103 -9.480 -6.047 -6.004 1.00 0.00 C ATOM 1642 C LYS A 103 -8.010 -6.273 -6.304 1.00 0.00 C ATOM 1643 O LYS A 103 -7.224 -6.328 -5.363 1.00 0.00 O ATOM 1644 CB LYS A 103 -10.203 -7.375 -5.785 1.00 0.00 C ATOM 1645 CG LYS A 103 -11.656 -7.120 -5.379 1.00 0.00 C ATOM 1646 CD LYS A 103 -12.349 -8.416 -4.958 1.00 0.00 C ATOM 1647 CE LYS A 103 -13.784 -8.365 -5.455 1.00 0.00 C ATOM 1648 NZ LYS A 103 -14.573 -9.542 -5.067 1.00 0.00 N ATOM 0 H LYS A 103 -10.984 -5.687 -7.406 1.00 0.00 H new ATOM 0 HA LYS A 103 -9.540 -5.472 -5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -10.171 -7.970 -6.697 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -9.696 -7.951 -5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -11.686 -6.405 -4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.196 -6.670 -6.213 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -11.831 -9.279 -5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -12.325 -8.526 -3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.265 -7.468 -5.065 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.783 -8.279 -6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.541 -9.448 -5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.135 -10.399 -5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -14.603 -9.614 -4.030 1.00 0.00 H new ATOM 1662 N SER A 104 -7.632 -6.338 -7.584 1.00 0.00 N ATOM 1663 CA SER A 104 -6.269 -6.528 -8.060 1.00 0.00 C ATOM 1664 C SER A 104 -5.358 -5.359 -7.685 1.00 0.00 C ATOM 1665 O SER A 104 -4.161 -5.435 -7.914 1.00 0.00 O ATOM 1666 CB SER A 104 -6.269 -6.762 -9.578 1.00 0.00 C ATOM 1667 OG SER A 104 -7.418 -7.503 -9.960 1.00 0.00 O ATOM 0 H SER A 104 -8.303 -6.255 -8.348 1.00 0.00 H new ATOM 0 HA SER A 104 -5.865 -7.411 -7.565 1.00 0.00 H new ATOM 0 HB2 SER A 104 -6.254 -5.806 -10.101 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.367 -7.299 -9.870 1.00 0.00 H new ATOM 0 HG SER A 104 -7.408 -7.645 -10.930 1.00 0.00 H new ATOM 1673 N PHE A 105 -5.889 -4.285 -7.105 1.00 0.00 N ATOM 1674 CA PHE A 105 -5.125 -3.137 -6.660 1.00 0.00 C ATOM 1675 C PHE A 105 -5.391 -2.903 -5.161 1.00 0.00 C ATOM 1676 O PHE A 105 -4.498 -2.450 -4.445 1.00 0.00 O ATOM 1677 CB PHE A 105 -5.479 -1.902 -7.508 1.00 0.00 C ATOM 1678 CG PHE A 105 -5.505 -2.053 -9.030 1.00 0.00 C ATOM 1679 CD1 PHE A 105 -6.457 -1.336 -9.776 1.00 0.00 C ATOM 1680 CD2 PHE A 105 -4.570 -2.847 -9.726 1.00 0.00 C ATOM 1681 CE1 PHE A 105 -6.490 -1.410 -11.178 1.00 0.00 C ATOM 1682 CE2 PHE A 105 -4.614 -2.942 -11.131 1.00 0.00 C ATOM 1683 CZ PHE A 105 -5.572 -2.220 -11.860 1.00 0.00 C ATOM 0 H PHE A 105 -6.890 -4.193 -6.930 1.00 0.00 H new ATOM 0 HA PHE A 105 -4.059 -3.323 -6.792 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -6.461 -1.551 -7.191 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.766 -1.115 -7.264 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -7.176 -0.717 -9.261 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.813 -3.387 -9.177 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.224 -0.842 -11.731 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.907 -3.573 -11.649 1.00 0.00 H new ATOM 0 HZ PHE A 105 -5.601 -2.288 -12.937 1.00 0.00 H new ATOM 1693 N LEU A 106 -6.596 -3.232 -4.668 1.00 0.00 N ATOM 1694 CA LEU A 106 -7.018 -3.044 -3.285 1.00 0.00 C ATOM 1695 C LEU A 106 -6.311 -3.993 -2.326 1.00 0.00 C ATOM 1696 O LEU A 106 -5.780 -5.034 -2.732 1.00 0.00 O ATOM 1697 CB LEU A 106 -8.536 -3.282 -3.139 1.00 0.00 C ATOM 1698 CG LEU A 106 -9.500 -2.494 -4.056 1.00 0.00 C ATOM 1699 CD1 LEU A 106 -10.913 -2.631 -3.494 1.00 0.00 C ATOM 1700 CD2 LEU A 106 -9.153 -1.013 -4.191 1.00 0.00 C ATOM 0 H LEU A 106 -7.323 -3.650 -5.248 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.757 -2.017 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.721 -4.344 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.808 -3.063 -2.106 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.414 -2.919 -5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.611 -2.082 -4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.195 -3.684 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -10.943 -2.225 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.874 -0.529 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.184 -0.541 -3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.152 -0.911 -4.611 1.00 0.00 H new ATOM 1712 N PHE A 107 -6.351 -3.657 -1.037 1.00 0.00 N ATOM 1713 CA PHE A 107 -5.765 -4.452 0.034 1.00 0.00 C ATOM 1714 C PHE A 107 -6.526 -4.211 1.336 1.00 0.00 C ATOM 1715 O PHE A 107 -6.939 -3.080 1.575 1.00 0.00 O ATOM 1716 CB PHE A 107 -4.295 -4.114 0.269 1.00 0.00 C ATOM 1717 CG PHE A 107 -4.006 -2.656 0.507 1.00 0.00 C ATOM 1718 CD1 PHE A 107 -4.008 -2.151 1.819 1.00 0.00 C ATOM 1719 CD2 PHE A 107 -3.802 -1.791 -0.579 1.00 0.00 C ATOM 1720 CE1 PHE A 107 -3.855 -0.777 2.040 1.00 0.00 C ATOM 1721 CE2 PHE A 107 -3.674 -0.418 -0.347 1.00 0.00 C ATOM 1722 CZ PHE A 107 -3.760 0.096 0.954 1.00 0.00 C ATOM 0 H PHE A 107 -6.802 -2.805 -0.704 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.835 -5.496 -0.272 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.940 -4.684 1.128 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.719 -4.447 -0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.128 -2.823 2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.744 -2.182 -1.584 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -3.811 -0.393 3.048 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.507 0.252 -1.177 1.00 0.00 H new ATOM 0 HZ PHE A 107 -3.753 1.164 1.116 1.00 0.00 H new ATOM 1732 N TYR A 108 -6.783 -5.232 2.153 1.00 0.00 N ATOM 1733 CA TYR A 108 -7.465 -5.013 3.426 1.00 0.00 C ATOM 1734 C TYR A 108 -6.442 -4.570 4.465 1.00 0.00 C ATOM 1735 O TYR A 108 -5.218 -4.763 4.324 1.00 0.00 O ATOM 1736 CB TYR A 108 -8.294 -6.195 3.963 1.00 0.00 C ATOM 1737 CG TYR A 108 -8.986 -7.115 2.988 1.00 0.00 C ATOM 1738 CD1 TYR A 108 -8.292 -8.211 2.447 1.00 0.00 C ATOM 1739 CD2 TYR A 108 -10.362 -6.980 2.760 1.00 0.00 C ATOM 1740 CE1 TYR A 108 -8.976 -9.189 1.699 1.00 0.00 C ATOM 1741 CE2 TYR A 108 -11.051 -7.939 2.006 1.00 0.00 C ATOM 1742 CZ TYR A 108 -10.367 -9.057 1.477 1.00 0.00 C ATOM 1743 OH TYR A 108 -11.063 -9.995 0.775 1.00 0.00 O ATOM 0 H TYR A 108 -6.534 -6.202 1.961 1.00 0.00 H new ATOM 0 HA TYR A 108 -8.207 -4.239 3.230 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.633 -6.806 4.577 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -9.057 -5.786 4.625 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -7.228 -8.304 2.606 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.894 -6.133 3.167 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -8.441 -10.036 1.297 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.110 -7.823 1.828 1.00 0.00 H new ATOM 0 HH TYR A 108 -10.642 -10.872 0.894 1.00 0.00 H new ATOM 1753 N HIS A 109 -7.026 -3.984 5.511 1.00 0.00 N ATOM 1754 CA HIS A 109 -6.402 -3.432 6.694 1.00 0.00 C ATOM 1755 C HIS A 109 -6.772 -4.204 7.950 1.00 0.00 C ATOM 1756 O HIS A 109 -7.954 -4.364 8.269 1.00 0.00 O ATOM 1757 CB HIS A 109 -6.892 -1.982 6.843 1.00 0.00 C ATOM 1758 CG HIS A 109 -6.102 -1.102 7.775 1.00 0.00 C ATOM 1759 ND1 HIS A 109 -5.045 -0.314 7.392 1.00 0.00 N ATOM 1760 CD2 HIS A 109 -6.385 -0.818 9.084 1.00 0.00 C ATOM 1761 CE1 HIS A 109 -4.687 0.435 8.446 1.00 0.00 C ATOM 1762 NE2 HIS A 109 -5.483 0.171 9.496 1.00 0.00 N ATOM 0 H HIS A 109 -8.040 -3.879 5.546 1.00 0.00 H new ATOM 0 HA HIS A 109 -5.320 -3.490 6.579 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -6.895 -1.519 5.856 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -7.926 -2.004 7.188 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -7.159 -1.271 9.686 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -3.876 1.148 8.450 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -5.439 0.607 10.417 1.00 0.00 H new ATOM 1770 N SER A 110 -5.742 -4.633 8.664 1.00 0.00 N ATOM 1771 CA SER A 110 -5.791 -5.342 9.928 1.00 0.00 C ATOM 1772 C SER A 110 -4.778 -4.600 10.800 1.00 0.00 C ATOM 1773 O SER A 110 -3.793 -4.072 10.279 1.00 0.00 O ATOM 1774 CB SER A 110 -5.529 -6.833 9.722 1.00 0.00 C ATOM 1775 OG SER A 110 -5.605 -7.588 10.919 1.00 0.00 O ATOM 0 H SER A 110 -4.783 -4.483 8.350 1.00 0.00 H new ATOM 0 HA SER A 110 -6.765 -5.340 10.417 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.252 -7.226 9.007 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.541 -6.963 9.281 1.00 0.00 H new ATOM 0 HG SER A 110 -5.430 -8.532 10.722 1.00 0.00 H new ATOM 1781 N GLN A 111 -5.030 -4.496 12.101 1.00 0.00 N ATOM 1782 CA GLN A 111 -4.162 -3.809 13.052 1.00 0.00 C ATOM 1783 C GLN A 111 -3.781 -4.755 14.177 1.00 0.00 C ATOM 1784 O GLN A 111 -4.592 -5.575 14.609 1.00 0.00 O ATOM 1785 CB GLN A 111 -4.793 -2.507 13.564 1.00 0.00 C ATOM 1786 CG GLN A 111 -6.303 -2.565 13.878 1.00 0.00 C ATOM 1787 CD GLN A 111 -6.604 -1.896 15.214 1.00 0.00 C ATOM 1788 OE1 GLN A 111 -7.142 -0.800 15.293 1.00 0.00 O ATOM 1789 NE2 GLN A 111 -6.268 -2.538 16.319 1.00 0.00 N ATOM 0 H GLN A 111 -5.863 -4.896 12.534 1.00 0.00 H new ATOM 0 HA GLN A 111 -3.247 -3.512 12.540 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -4.266 -2.202 14.468 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.627 -1.728 12.819 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -6.863 -2.071 13.084 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -6.634 -3.603 13.903 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -5.819 -3.452 16.261 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -6.458 -2.119 17.230 1.00 0.00 H new ATOM 1798 N SER A 112 -2.583 -4.565 14.721 1.00 0.00 N ATOM 1799 CA SER A 112 -2.039 -5.413 15.770 1.00 0.00 C ATOM 1800 C SER A 112 -0.941 -4.767 16.626 1.00 0.00 C ATOM 1801 O SER A 112 0.244 -5.049 16.442 1.00 0.00 O ATOM 1802 CB SER A 112 -1.548 -6.693 15.079 1.00 0.00 C ATOM 1803 OG SER A 112 -0.779 -6.393 13.923 1.00 0.00 O ATOM 0 H SER A 112 -1.958 -3.809 14.441 1.00 0.00 H new ATOM 0 HA SER A 112 -2.824 -5.615 16.499 1.00 0.00 H new ATOM 0 HB2 SER A 112 -0.948 -7.278 15.776 1.00 0.00 H new ATOM 0 HB3 SER A 112 -2.403 -7.309 14.800 1.00 0.00 H new ATOM 0 HG SER A 112 -0.478 -7.227 13.505 1.00 0.00 H new ATOM 1809 N GLY A 113 -1.340 -3.925 17.582 1.00 0.00 N ATOM 1810 CA GLY A 113 -0.430 -3.265 18.525 1.00 0.00 C ATOM 1811 C GLY A 113 0.361 -2.144 17.887 1.00 0.00 C ATOM 1812 O GLY A 113 1.569 -2.268 17.716 1.00 0.00 O ATOM 0 H GLY A 113 -2.319 -3.678 17.726 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.006 -2.868 19.361 1.00 0.00 H new ATOM 0 HA3 GLY A 113 0.260 -4.003 18.935 1.00 0.00 H new ATOM 1816 N ARG A 114 -0.312 -1.035 17.562 1.00 0.00 N ATOM 1817 CA ARG A 114 0.263 0.153 16.912 1.00 0.00 C ATOM 1818 C ARG A 114 0.835 -0.150 15.529 1.00 0.00 C ATOM 1819 O ARG A 114 1.491 0.699 14.923 1.00 0.00 O ATOM 1820 CB ARG A 114 1.267 0.867 17.821 1.00 0.00 C ATOM 1821 CG ARG A 114 0.542 1.727 18.875 1.00 0.00 C ATOM 1822 CD ARG A 114 0.941 3.200 18.741 1.00 0.00 C ATOM 1823 NE ARG A 114 2.337 3.413 19.137 1.00 0.00 N ATOM 1824 CZ ARG A 114 2.769 3.466 20.395 1.00 0.00 C ATOM 1825 NH1 ARG A 114 1.924 3.655 21.404 1.00 0.00 N ATOM 1826 NH2 ARG A 114 4.068 3.351 20.626 1.00 0.00 N ATOM 0 H ARG A 114 -1.309 -0.934 17.750 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.560 0.848 16.745 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.900 0.132 18.319 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.923 1.497 17.220 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -0.537 1.625 18.755 1.00 0.00 H new ATOM 0 HG3 ARG A 114 0.787 1.368 19.875 1.00 0.00 H new ATOM 0 HD2 ARG A 114 0.800 3.525 17.710 1.00 0.00 H new ATOM 0 HD3 ARG A 114 0.287 3.814 19.361 1.00 0.00 H new ATOM 0 HE ARG A 114 3.027 3.529 18.395 1.00 0.00 H new ATOM 0 HH11 ARG A 114 0.926 3.762 21.220 1.00 0.00 H new ATOM 0 HH12 ARG A 114 2.273 3.693 22.362 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.715 3.225 19.848 1.00 0.00 H new ATOM 0 HH22 ARG A 114 4.421 3.389 21.582 1.00 0.00 H new ATOM 1840 N ASN A 115 0.583 -1.343 15.011 1.00 0.00 N ATOM 1841 CA ASN A 115 1.028 -1.760 13.705 1.00 0.00 C ATOM 1842 C ASN A 115 -0.214 -2.083 12.899 1.00 0.00 C ATOM 1843 O ASN A 115 -1.233 -2.458 13.486 1.00 0.00 O ATOM 1844 CB ASN A 115 1.985 -2.957 13.784 1.00 0.00 C ATOM 1845 CG ASN A 115 3.270 -2.702 14.555 1.00 0.00 C ATOM 1846 OD1 ASN A 115 4.204 -1.940 14.008 1.00 0.00 O flip ATOM 1847 ND2 ASN A 115 3.442 -3.194 15.660 1.00 0.00 N flip ATOM 0 H ASN A 115 0.050 -2.059 15.505 1.00 0.00 H new ATOM 0 HA ASN A 115 1.598 -0.965 13.224 1.00 0.00 H new ATOM 0 HB2 ASN A 115 1.460 -3.792 14.248 1.00 0.00 H new ATOM 0 HB3 ASN A 115 2.242 -3.265 12.771 1.00 0.00 H new ATOM 0 HD21 ASN A 115 2.718 -3.780 16.076 1.00 0.00 H new ATOM 0 HD22 ASN A 115 4.310 -3.019 16.167 1.00 0.00 H new ATOM 1854 N SER A 116 -0.139 -1.965 11.580 1.00 0.00 N ATOM 1855 CA SER A 116 -1.232 -2.251 10.669 1.00 0.00 C ATOM 1856 C SER A 116 -0.637 -2.964 9.455 1.00 0.00 C ATOM 1857 O SER A 116 0.523 -2.718 9.112 1.00 0.00 O ATOM 1858 CB SER A 116 -1.978 -0.972 10.282 1.00 0.00 C ATOM 1859 OG SER A 116 -2.258 -0.133 11.389 1.00 0.00 O ATOM 0 H SER A 116 0.709 -1.659 11.104 1.00 0.00 H new ATOM 0 HA SER A 116 -1.974 -2.893 11.144 1.00 0.00 H new ATOM 0 HB2 SER A 116 -1.384 -0.418 9.556 1.00 0.00 H new ATOM 0 HB3 SER A 116 -2.914 -1.239 9.791 1.00 0.00 H new ATOM 0 HG SER A 116 -2.733 0.667 11.081 1.00 0.00 H new ATOM 1865 N THR A 117 -1.412 -3.811 8.787 1.00 0.00 N ATOM 1866 CA THR A 117 -0.956 -4.577 7.634 1.00 0.00 C ATOM 1867 C THR A 117 -1.685 -4.154 6.366 1.00 0.00 C ATOM 1868 O THR A 117 -2.608 -3.326 6.392 1.00 0.00 O ATOM 1869 CB THR A 117 -1.102 -6.083 7.940 1.00 0.00 C ATOM 1870 OG1 THR A 117 -2.455 -6.394 8.198 1.00 0.00 O ATOM 1871 CG2 THR A 117 -0.278 -6.511 9.152 1.00 0.00 C ATOM 0 H THR A 117 -2.386 -3.987 9.034 1.00 0.00 H new ATOM 0 HA THR A 117 0.098 -4.372 7.448 1.00 0.00 H new ATOM 0 HB THR A 117 -0.737 -6.618 7.063 1.00 0.00 H new ATOM 0 HG1 THR A 117 -2.540 -7.351 8.390 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.414 -7.578 9.326 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.776 -6.305 8.966 1.00 0.00 H new ATOM 0 HG23 THR A 117 -0.607 -5.955 10.030 1.00 0.00 H new ATOM 1879 N PHE A 118 -1.244 -4.729 5.247 1.00 0.00 N ATOM 1880 CA PHE A 118 -1.757 -4.498 3.916 1.00 0.00 C ATOM 1881 C PHE A 118 -1.790 -5.843 3.216 1.00 0.00 C ATOM 1882 O PHE A 118 -0.718 -6.344 2.873 1.00 0.00 O ATOM 1883 CB PHE A 118 -0.836 -3.531 3.145 1.00 0.00 C ATOM 1884 CG PHE A 118 -0.321 -2.311 3.881 1.00 0.00 C ATOM 1885 CD1 PHE A 118 -1.201 -1.301 4.294 1.00 0.00 C ATOM 1886 CD2 PHE A 118 1.059 -2.153 4.101 1.00 0.00 C ATOM 1887 CE1 PHE A 118 -0.722 -0.137 4.914 1.00 0.00 C ATOM 1888 CE2 PHE A 118 1.542 -0.982 4.705 1.00 0.00 C ATOM 1889 CZ PHE A 118 0.657 0.027 5.118 1.00 0.00 C ATOM 0 H PHE A 118 -0.478 -5.403 5.256 1.00 0.00 H new ATOM 0 HA PHE A 118 -2.750 -4.050 3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 118 0.025 -4.098 2.792 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -1.375 -3.187 2.262 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -2.262 -1.420 4.133 1.00 0.00 H new ATOM 0 HD2 PHE A 118 1.746 -2.932 3.805 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -1.412 0.630 5.233 1.00 0.00 H new ATOM 0 HE2 PHE A 118 2.604 -0.856 4.854 1.00 0.00 H new ATOM 0 HZ PHE A 118 1.035 0.923 5.589 1.00 0.00 H new ATOM 1899 N GLU A 119 -2.971 -6.450 3.060 1.00 0.00 N ATOM 1900 CA GLU A 119 -3.051 -7.743 2.359 1.00 0.00 C ATOM 1901 C GLU A 119 -3.899 -7.595 1.110 1.00 0.00 C ATOM 1902 O GLU A 119 -5.011 -7.080 1.176 1.00 0.00 O ATOM 1903 CB GLU A 119 -3.483 -8.917 3.253 1.00 0.00 C ATOM 1904 CG GLU A 119 -4.565 -9.854 2.653 1.00 0.00 C ATOM 1905 CD GLU A 119 -5.183 -10.848 3.633 1.00 0.00 C ATOM 1906 OE1 GLU A 119 -5.366 -10.478 4.815 1.00 0.00 O ATOM 1907 OE2 GLU A 119 -5.624 -11.940 3.208 1.00 0.00 O ATOM 0 H GLU A 119 -3.862 -6.084 3.397 1.00 0.00 H new ATOM 0 HA GLU A 119 -2.040 -8.016 2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -2.602 -9.514 3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -3.858 -8.515 4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -5.362 -9.240 2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -4.123 -10.411 1.827 1.00 0.00 H new ATOM 1914 N SER A 120 -3.383 -8.066 -0.017 1.00 0.00 N ATOM 1915 CA SER A 120 -4.027 -8.015 -1.313 1.00 0.00 C ATOM 1916 C SER A 120 -5.438 -8.612 -1.294 1.00 0.00 C ATOM 1917 O SER A 120 -5.625 -9.751 -0.868 1.00 0.00 O ATOM 1918 CB SER A 120 -3.102 -8.726 -2.298 1.00 0.00 C ATOM 1919 OG SER A 120 -1.954 -7.929 -2.543 1.00 0.00 O ATOM 0 H SER A 120 -2.466 -8.512 -0.049 1.00 0.00 H new ATOM 0 HA SER A 120 -4.178 -6.979 -1.618 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.804 -9.695 -1.896 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.629 -8.917 -3.233 1.00 0.00 H new ATOM 0 HG SER A 120 -2.043 -7.486 -3.413 1.00 0.00 H new ATOM 1925 N VAL A 121 -6.441 -7.849 -1.758 1.00 0.00 N ATOM 1926 CA VAL A 121 -7.810 -8.362 -1.755 1.00 0.00 C ATOM 1927 C VAL A 121 -7.963 -9.442 -2.826 1.00 0.00 C ATOM 1928 O VAL A 121 -8.598 -10.461 -2.571 1.00 0.00 O ATOM 1929 CB VAL A 121 -8.836 -7.221 -1.956 1.00 0.00 C ATOM 1930 CG1 VAL A 121 -10.285 -7.711 -2.048 1.00 0.00 C ATOM 1931 CG2 VAL A 121 -8.813 -6.212 -0.805 1.00 0.00 C ATOM 0 H VAL A 121 -6.331 -6.905 -2.128 1.00 0.00 H new ATOM 0 HA VAL A 121 -8.013 -8.808 -0.781 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.529 -6.765 -2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.949 -6.858 -2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -10.386 -8.392 -2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -10.552 -8.231 -1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -9.550 -5.431 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -9.052 -6.720 0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.821 -5.766 -0.732 1.00 0.00 H new ATOM 1941 N ALA A 122 -7.408 -9.227 -4.023 1.00 0.00 N ATOM 1942 CA ALA A 122 -7.544 -10.187 -5.113 1.00 0.00 C ATOM 1943 C ALA A 122 -6.877 -11.533 -4.824 1.00 0.00 C ATOM 1944 O ALA A 122 -7.409 -12.569 -5.229 1.00 0.00 O ATOM 1945 CB ALA A 122 -7.000 -9.628 -6.428 1.00 0.00 C ATOM 0 H ALA A 122 -6.862 -8.398 -4.257 1.00 0.00 H new ATOM 0 HA ALA A 122 -8.616 -10.361 -5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -7.119 -10.372 -7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -7.550 -8.725 -6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -5.943 -9.388 -6.312 1.00 0.00 H new ATOM 1951 N PHE A 123 -5.713 -11.518 -4.177 1.00 0.00 N ATOM 1952 CA PHE A 123 -4.956 -12.716 -3.847 1.00 0.00 C ATOM 1953 C PHE A 123 -4.641 -12.667 -2.360 1.00 0.00 C ATOM 1954 O PHE A 123 -3.554 -12.223 -1.981 1.00 0.00 O ATOM 1955 CB PHE A 123 -3.704 -12.840 -4.732 1.00 0.00 C ATOM 1956 CG PHE A 123 -3.980 -13.375 -6.121 1.00 0.00 C ATOM 1957 CD1 PHE A 123 -4.110 -12.493 -7.207 1.00 0.00 C ATOM 1958 CD2 PHE A 123 -4.097 -14.763 -6.329 1.00 0.00 C ATOM 1959 CE1 PHE A 123 -4.325 -12.998 -8.499 1.00 0.00 C ATOM 1960 CE2 PHE A 123 -4.317 -15.269 -7.623 1.00 0.00 C ATOM 1961 CZ PHE A 123 -4.426 -14.384 -8.710 1.00 0.00 C ATOM 0 H PHE A 123 -5.265 -10.657 -3.864 1.00 0.00 H new ATOM 0 HA PHE A 123 -5.537 -13.615 -4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -3.235 -11.860 -4.818 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -2.986 -13.495 -4.238 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -4.045 -11.427 -7.048 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -4.018 -15.441 -5.492 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -4.413 -12.319 -9.334 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -4.402 -16.334 -7.781 1.00 0.00 H new ATOM 0 HZ PHE A 123 -4.587 -14.769 -9.706 1.00 0.00 H new ATOM 1971 N PRO A 124 -5.596 -13.074 -1.507 1.00 0.00 N ATOM 1972 CA PRO A 124 -5.372 -13.075 -0.076 1.00 0.00 C ATOM 1973 C PRO A 124 -4.290 -14.107 0.250 1.00 0.00 C ATOM 1974 O PRO A 124 -4.107 -15.103 -0.464 1.00 0.00 O ATOM 1975 CB PRO A 124 -6.724 -13.408 0.543 1.00 0.00 C ATOM 1976 CG PRO A 124 -7.396 -14.259 -0.528 1.00 0.00 C ATOM 1977 CD PRO A 124 -6.917 -13.611 -1.820 1.00 0.00 C ATOM 0 HA PRO A 124 -5.015 -12.123 0.317 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -6.615 -13.953 1.481 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -7.299 -12.508 0.762 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -7.094 -15.304 -0.463 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -8.482 -14.235 -0.442 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -6.865 -14.338 -2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -7.597 -12.823 -2.142 1.00 0.00 H new ATOM 1985 N GLY A 125 -3.583 -13.885 1.348 1.00 0.00 N ATOM 1986 CA GLY A 125 -2.490 -14.714 1.831 1.00 0.00 C ATOM 1987 C GLY A 125 -1.143 -14.031 1.596 1.00 0.00 C ATOM 1988 O GLY A 125 -0.148 -14.508 2.134 1.00 0.00 O ATOM 0 H GLY A 125 -3.765 -13.085 1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -2.621 -14.912 2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -2.507 -15.678 1.323 1.00 0.00 H new ATOM 1992 N TRP A 126 -1.091 -12.955 0.798 1.00 0.00 N ATOM 1993 CA TRP A 126 0.098 -12.172 0.488 1.00 0.00 C ATOM 1994 C TRP A 126 -0.063 -10.783 1.096 1.00 0.00 C ATOM 1995 O TRP A 126 -1.122 -10.159 0.965 1.00 0.00 O ATOM 1996 CB TRP A 126 0.316 -12.109 -1.029 1.00 0.00 C ATOM 1997 CG TRP A 126 0.904 -13.347 -1.619 1.00 0.00 C ATOM 1998 CD1 TRP A 126 2.209 -13.693 -1.544 1.00 0.00 C ATOM 1999 CD2 TRP A 126 0.240 -14.428 -2.341 1.00 0.00 C ATOM 2000 NE1 TRP A 126 2.389 -14.919 -2.146 1.00 0.00 N ATOM 2001 CE2 TRP A 126 1.222 -15.394 -2.699 1.00 0.00 C ATOM 2002 CE3 TRP A 126 -1.092 -14.710 -2.711 1.00 0.00 C ATOM 2003 CZ2 TRP A 126 0.907 -16.554 -3.419 1.00 0.00 C ATOM 2004 CZ3 TRP A 126 -1.423 -15.868 -3.442 1.00 0.00 C ATOM 2005 CH2 TRP A 126 -0.423 -16.790 -3.800 1.00 0.00 C ATOM 0 H TRP A 126 -1.923 -12.595 0.331 1.00 0.00 H new ATOM 0 HA TRP A 126 0.983 -12.643 0.916 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -0.640 -11.909 -1.513 1.00 0.00 H new ATOM 0 HB3 TRP A 126 0.970 -11.267 -1.255 1.00 0.00 H new ATOM 0 HD1 TRP A 126 2.987 -13.102 -1.085 1.00 0.00 H new ATOM 0 HE1 TRP A 126 3.280 -15.415 -2.178 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -1.875 -14.023 -2.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 1.681 -17.261 -3.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -2.449 -16.048 -3.729 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -0.677 -17.675 -4.365 1.00 0.00 H new ATOM 2016 N PHE A 127 0.985 -10.274 1.736 1.00 0.00 N ATOM 2017 CA PHE A 127 1.036 -8.971 2.390 1.00 0.00 C ATOM 2018 C PHE A 127 2.177 -8.162 1.770 1.00 0.00 C ATOM 2019 O PHE A 127 3.172 -8.745 1.336 1.00 0.00 O ATOM 2020 CB PHE A 127 1.274 -9.171 3.893 1.00 0.00 C ATOM 2021 CG PHE A 127 0.330 -10.152 4.576 1.00 0.00 C ATOM 2022 CD1 PHE A 127 0.621 -11.531 4.576 1.00 0.00 C ATOM 2023 CD2 PHE A 127 -0.843 -9.697 5.208 1.00 0.00 C ATOM 2024 CE1 PHE A 127 -0.237 -12.440 5.215 1.00 0.00 C ATOM 2025 CE2 PHE A 127 -1.716 -10.611 5.833 1.00 0.00 C ATOM 2026 CZ PHE A 127 -1.400 -11.981 5.858 1.00 0.00 C ATOM 0 H PHE A 127 1.865 -10.784 1.817 1.00 0.00 H new ATOM 0 HA PHE A 127 0.097 -8.435 2.254 1.00 0.00 H new ATOM 0 HB2 PHE A 127 2.298 -9.515 4.039 1.00 0.00 H new ATOM 0 HB3 PHE A 127 1.189 -8.204 4.390 1.00 0.00 H new ATOM 0 HD1 PHE A 127 1.511 -11.891 4.081 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.075 -8.642 5.214 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.003 -13.494 5.213 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -2.628 -10.259 6.293 1.00 0.00 H new ATOM 0 HZ PHE A 127 -2.048 -12.678 6.369 1.00 0.00 H new ATOM 2036 N ILE A 128 2.055 -6.836 1.739 1.00 0.00 N ATOM 2037 CA ILE A 128 3.067 -5.938 1.173 1.00 0.00 C ATOM 2038 C ILE A 128 4.206 -5.735 2.171 1.00 0.00 C ATOM 2039 O ILE A 128 3.946 -5.439 3.341 1.00 0.00 O ATOM 2040 CB ILE A 128 2.457 -4.552 0.840 1.00 0.00 C ATOM 2041 CG1 ILE A 128 1.131 -4.719 0.048 1.00 0.00 C ATOM 2042 CG2 ILE A 128 3.457 -3.662 0.076 1.00 0.00 C ATOM 2043 CD1 ILE A 128 0.420 -3.424 -0.351 1.00 0.00 C ATOM 0 H ILE A 128 1.241 -6.346 2.110 1.00 0.00 H new ATOM 0 HA ILE A 128 3.442 -6.398 0.259 1.00 0.00 H new ATOM 0 HB ILE A 128 2.233 -4.048 1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 128 1.341 -5.289 -0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.445 -5.316 0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 128 2.995 -2.699 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 128 4.347 -3.509 0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.737 -4.148 -0.858 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -0.492 -3.663 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.168 -2.857 0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.077 -2.828 -0.984 1.00 0.00 H new ATOM 2055 N ALA A 129 5.456 -5.817 1.704 1.00 0.00 N ATOM 2056 CA ALA A 129 6.617 -5.603 2.560 1.00 0.00 C ATOM 2057 C ALA A 129 7.218 -4.210 2.270 1.00 0.00 C ATOM 2058 O ALA A 129 7.557 -3.923 1.124 1.00 0.00 O ATOM 2059 CB ALA A 129 7.619 -6.744 2.358 1.00 0.00 C ATOM 0 H ALA A 129 5.685 -6.031 0.733 1.00 0.00 H new ATOM 0 HA ALA A 129 6.330 -5.615 3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 129 8.487 -6.584 2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 129 7.148 -7.692 2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.937 -6.769 1.316 1.00 0.00 H new ATOM 2065 N VAL A 130 7.370 -3.361 3.297 1.00 0.00 N ATOM 2066 CA VAL A 130 7.906 -1.985 3.260 1.00 0.00 C ATOM 2067 C VAL A 130 9.425 -1.933 3.047 1.00 0.00 C ATOM 2068 O VAL A 130 9.954 -0.882 2.671 1.00 0.00 O ATOM 2069 CB VAL A 130 7.524 -1.280 4.585 1.00 0.00 C ATOM 2070 CG1 VAL A 130 8.064 0.144 4.751 1.00 0.00 C ATOM 2071 CG2 VAL A 130 6.001 -1.168 4.756 1.00 0.00 C ATOM 0 H VAL A 130 7.104 -3.633 4.243 1.00 0.00 H new ATOM 0 HA VAL A 130 7.467 -1.474 2.403 1.00 0.00 H new ATOM 0 HB VAL A 130 7.985 -1.924 5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 130 7.740 0.547 5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 130 9.153 0.127 4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 130 7.684 0.773 3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 130 5.776 -0.668 5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 130 5.584 -0.592 3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 130 5.561 -2.165 4.761 1.00 0.00 H new ATOM 2081 N SER A 131 10.113 -3.047 3.312 1.00 0.00 N ATOM 2082 CA SER A 131 11.562 -3.201 3.158 1.00 0.00 C ATOM 2083 C SER A 131 12.391 -2.150 3.903 1.00 0.00 C ATOM 2084 O SER A 131 13.154 -1.382 3.305 1.00 0.00 O ATOM 2085 CB SER A 131 11.891 -3.135 1.672 1.00 0.00 C ATOM 2086 OG SER A 131 11.137 -4.058 0.912 1.00 0.00 O ATOM 0 H SER A 131 9.661 -3.896 3.651 1.00 0.00 H new ATOM 0 HA SER A 131 11.829 -4.161 3.600 1.00 0.00 H new ATOM 0 HB2 SER A 131 11.702 -2.126 1.305 1.00 0.00 H new ATOM 0 HB3 SER A 131 12.953 -3.332 1.529 1.00 0.00 H new ATOM 0 HG SER A 131 10.994 -3.700 0.011 1.00 0.00 H new ATOM 2092 N SER A 132 12.326 -2.170 5.229 1.00 0.00 N ATOM 2093 CA SER A 132 13.053 -1.197 6.035 1.00 0.00 C ATOM 2094 C SER A 132 14.484 -1.607 6.404 1.00 0.00 C ATOM 2095 O SER A 132 15.254 -0.782 6.886 1.00 0.00 O ATOM 2096 CB SER A 132 12.238 -0.907 7.304 1.00 0.00 C ATOM 2097 OG SER A 132 10.875 -0.673 7.005 1.00 0.00 O ATOM 0 H SER A 132 11.781 -2.845 5.766 1.00 0.00 H new ATOM 0 HA SER A 132 13.168 -0.304 5.420 1.00 0.00 H new ATOM 0 HB2 SER A 132 12.321 -1.749 7.991 1.00 0.00 H new ATOM 0 HB3 SER A 132 12.654 -0.038 7.814 1.00 0.00 H new ATOM 0 HG SER A 132 10.417 -1.530 6.877 1.00 0.00 H new ATOM 2103 N GLU A 133 14.846 -2.861 6.136 1.00 0.00 N ATOM 2104 CA GLU A 133 16.136 -3.482 6.434 1.00 0.00 C ATOM 2105 C GLU A 133 17.382 -2.820 5.829 1.00 0.00 C ATOM 2106 O GLU A 133 18.134 -2.152 6.543 1.00 0.00 O ATOM 2107 CB GLU A 133 16.048 -4.972 6.053 1.00 0.00 C ATOM 2108 CG GLU A 133 15.778 -5.848 7.273 1.00 0.00 C ATOM 2109 CD GLU A 133 17.107 -6.192 7.955 1.00 0.00 C ATOM 2110 OE1 GLU A 133 17.619 -7.310 7.739 1.00 0.00 O ATOM 2111 OE2 GLU A 133 17.699 -5.314 8.624 1.00 0.00 O ATOM 0 H GLU A 133 14.207 -3.510 5.677 1.00 0.00 H new ATOM 0 HA GLU A 133 16.297 -3.341 7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 133 15.255 -5.114 5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 133 16.979 -5.283 5.580 1.00 0.00 H new ATOM 0 HG2 GLU A 133 15.122 -5.327 7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 133 15.263 -6.761 6.973 1.00 0.00 H new ATOM 2118 N GLY A 134 17.626 -3.010 4.530 1.00 0.00 N ATOM 2119 CA GLY A 134 18.781 -2.486 3.797 1.00 0.00 C ATOM 2120 C GLY A 134 18.399 -1.745 2.521 1.00 0.00 C ATOM 2121 O GLY A 134 19.243 -1.506 1.650 1.00 0.00 O ATOM 0 H GLY A 134 17.000 -3.554 3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 134 19.340 -1.812 4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 134 19.447 -3.311 3.544 1.00 0.00 H new ATOM 2125 N GLY A 135 17.123 -1.379 2.404 1.00 0.00 N ATOM 2126 CA GLY A 135 16.598 -0.674 1.254 1.00 0.00 C ATOM 2127 C GLY A 135 16.275 -1.654 0.132 1.00 0.00 C ATOM 2128 O GLY A 135 16.865 -1.573 -0.944 1.00 0.00 O ATOM 0 H GLY A 135 16.422 -1.570 3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 135 15.700 -0.124 1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 135 17.325 0.060 0.906 1.00 0.00 H new ATOM 2132 N CYS A 136 15.428 -2.651 0.409 1.00 0.00 N ATOM 2133 CA CYS A 136 15.029 -3.648 -0.584 1.00 0.00 C ATOM 2134 C CYS A 136 13.864 -3.117 -1.430 1.00 0.00 C ATOM 2135 O CYS A 136 13.256 -2.104 -1.067 1.00 0.00 O ATOM 2136 CB CYS A 136 14.619 -4.952 0.128 1.00 0.00 C ATOM 2137 SG CYS A 136 15.979 -6.129 -0.005 1.00 0.00 S ATOM 0 H CYS A 136 15.002 -2.787 1.326 1.00 0.00 H new ATOM 0 HA CYS A 136 15.872 -3.851 -1.244 1.00 0.00 H new ATOM 0 HB2 CYS A 136 14.389 -4.756 1.175 1.00 0.00 H new ATOM 0 HB3 CYS A 136 13.717 -5.363 -0.325 1.00 0.00 H new ATOM 0 HG CYS A 136 15.654 -7.237 0.592 1.00 0.00 H new ATOM 2143 N PRO A 137 13.554 -3.783 -2.557 1.00 0.00 N ATOM 2144 CA PRO A 137 12.442 -3.390 -3.399 1.00 0.00 C ATOM 2145 C PRO A 137 11.135 -3.846 -2.744 1.00 0.00 C ATOM 2146 O PRO A 137 11.106 -4.847 -2.026 1.00 0.00 O ATOM 2147 CB PRO A 137 12.683 -4.092 -4.727 1.00 0.00 C ATOM 2148 CG PRO A 137 13.392 -5.385 -4.326 1.00 0.00 C ATOM 2149 CD PRO A 137 14.209 -4.970 -3.103 1.00 0.00 C ATOM 0 HA PRO A 137 12.366 -2.312 -3.541 1.00 0.00 H new ATOM 0 HB2 PRO A 137 11.748 -4.293 -5.250 1.00 0.00 H new ATOM 0 HB3 PRO A 137 13.298 -3.488 -5.394 1.00 0.00 H new ATOM 0 HG2 PRO A 137 12.682 -6.176 -4.086 1.00 0.00 H new ATOM 0 HG3 PRO A 137 14.029 -5.760 -5.127 1.00 0.00 H new ATOM 0 HD2 PRO A 137 14.239 -5.772 -2.365 1.00 0.00 H new ATOM 0 HD3 PRO A 137 15.241 -4.752 -3.380 1.00 0.00 H new ATOM 2157 N LEU A 138 10.054 -3.118 -3.008 1.00 0.00 N ATOM 2158 CA LEU A 138 8.737 -3.381 -2.469 1.00 0.00 C ATOM 2159 C LEU A 138 8.143 -4.556 -3.226 1.00 0.00 C ATOM 2160 O LEU A 138 7.901 -4.473 -4.437 1.00 0.00 O ATOM 2161 CB LEU A 138 7.856 -2.130 -2.580 1.00 0.00 C ATOM 2162 CG LEU A 138 8.364 -0.870 -1.849 1.00 0.00 C ATOM 2163 CD1 LEU A 138 7.188 0.096 -1.681 1.00 0.00 C ATOM 2164 CD2 LEU A 138 8.989 -1.137 -0.480 1.00 0.00 C ATOM 0 H LEU A 138 10.078 -2.305 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 138 8.799 -3.632 -1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 138 7.737 -1.888 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 138 6.866 -2.373 -2.195 1.00 0.00 H new ATOM 0 HG LEU A 138 9.161 -0.453 -2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.526 0.995 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 138 6.796 0.366 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.403 -0.384 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 138 9.318 -0.195 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 138 8.251 -1.604 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 138 9.845 -1.802 -0.594 1.00 0.00 H new ATOM 2176 N ILE A 139 7.928 -5.648 -2.502 1.00 0.00 N ATOM 2177 CA ILE A 139 7.370 -6.895 -2.998 1.00 0.00 C ATOM 2178 C ILE A 139 6.361 -7.472 -2.000 1.00 0.00 C ATOM 2179 O ILE A 139 6.201 -6.953 -0.891 1.00 0.00 O ATOM 2180 CB ILE A 139 8.472 -7.935 -3.285 1.00 0.00 C ATOM 2181 CG1 ILE A 139 9.602 -8.039 -2.235 1.00 0.00 C ATOM 2182 CG2 ILE A 139 9.086 -7.682 -4.672 1.00 0.00 C ATOM 2183 CD1 ILE A 139 9.158 -8.043 -0.764 1.00 0.00 C ATOM 0 H ILE A 139 8.149 -5.687 -1.507 1.00 0.00 H new ATOM 0 HA ILE A 139 6.859 -6.671 -3.935 1.00 0.00 H new ATOM 0 HB ILE A 139 7.956 -8.894 -3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 139 10.165 -8.952 -2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 139 10.287 -7.205 -2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 139 9.863 -8.421 -4.866 1.00 0.00 H new ATOM 0 HG22 ILE A 139 8.310 -7.763 -5.433 1.00 0.00 H new ATOM 0 HG23 ILE A 139 9.520 -6.683 -4.701 1.00 0.00 H new ATOM 0 HD11 ILE A 139 10.034 -8.120 -0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 139 8.624 -7.119 -0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 139 8.500 -8.894 -0.585 1.00 0.00 H new ATOM 2195 N LEU A 140 5.610 -8.488 -2.433 1.00 0.00 N ATOM 2196 CA LEU A 140 4.643 -9.145 -1.576 1.00 0.00 C ATOM 2197 C LEU A 140 5.394 -10.263 -0.843 1.00 0.00 C ATOM 2198 O LEU A 140 6.471 -10.694 -1.265 1.00 0.00 O ATOM 2199 CB LEU A 140 3.532 -9.833 -2.391 1.00 0.00 C ATOM 2200 CG LEU A 140 2.653 -8.935 -3.279 1.00 0.00 C ATOM 2201 CD1 LEU A 140 1.800 -9.823 -4.188 1.00 0.00 C ATOM 2202 CD2 LEU A 140 1.690 -8.093 -2.446 1.00 0.00 C ATOM 0 H LEU A 140 5.660 -8.869 -3.378 1.00 0.00 H new ATOM 0 HA LEU A 140 4.195 -8.402 -0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 140 3.997 -10.586 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 140 2.880 -10.362 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 140 3.314 -8.279 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 140 1.172 -9.197 -4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 140 2.450 -10.436 -4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 140 1.169 -10.469 -3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 140 1.085 -7.471 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 140 1.039 -8.749 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 140 2.257 -7.456 -1.767 1.00 0.00 H new ATOM 2214 N THR A 141 4.793 -10.804 0.205 1.00 0.00 N ATOM 2215 CA THR A 141 5.337 -11.908 0.974 1.00 0.00 C ATOM 2216 C THR A 141 4.179 -12.641 1.610 1.00 0.00 C ATOM 2217 O THR A 141 3.217 -12.027 2.075 1.00 0.00 O ATOM 2218 CB THR A 141 6.375 -11.446 2.005 1.00 0.00 C ATOM 2219 OG1 THR A 141 6.875 -12.518 2.771 1.00 0.00 O ATOM 2220 CG2 THR A 141 5.918 -10.332 2.943 1.00 0.00 C ATOM 0 H THR A 141 3.891 -10.478 0.552 1.00 0.00 H new ATOM 0 HA THR A 141 5.881 -12.584 0.314 1.00 0.00 H new ATOM 0 HB THR A 141 7.166 -11.023 1.386 1.00 0.00 H new ATOM 0 HG1 THR A 141 7.731 -12.261 3.173 1.00 0.00 H new ATOM 0 HG21 THR A 141 6.726 -10.081 3.631 1.00 0.00 H new ATOM 0 HG22 THR A 141 5.652 -9.451 2.359 1.00 0.00 H new ATOM 0 HG23 THR A 141 5.050 -10.667 3.510 1.00 0.00 H new ATOM 2228 N GLN A 142 4.263 -13.964 1.564 1.00 0.00 N ATOM 2229 CA GLN A 142 3.261 -14.827 2.150 1.00 0.00 C ATOM 2230 C GLN A 142 3.498 -14.931 3.656 1.00 0.00 C ATOM 2231 O GLN A 142 2.554 -14.948 4.441 1.00 0.00 O ATOM 2232 CB GLN A 142 3.367 -16.212 1.501 1.00 0.00 C ATOM 2233 CG GLN A 142 2.476 -17.281 2.162 1.00 0.00 C ATOM 2234 CD GLN A 142 2.280 -18.505 1.271 1.00 0.00 C ATOM 2235 OE1 GLN A 142 3.153 -18.868 0.478 1.00 0.00 O ATOM 2236 NE2 GLN A 142 1.149 -19.180 1.390 1.00 0.00 N ATOM 0 H GLN A 142 5.031 -14.464 1.117 1.00 0.00 H new ATOM 0 HA GLN A 142 2.264 -14.420 1.979 1.00 0.00 H new ATOM 0 HB2 GLN A 142 3.099 -16.130 0.448 1.00 0.00 H new ATOM 0 HB3 GLN A 142 4.405 -16.543 1.541 1.00 0.00 H new ATOM 0 HG2 GLN A 142 2.924 -17.590 3.107 1.00 0.00 H new ATOM 0 HG3 GLN A 142 1.504 -16.846 2.397 1.00 0.00 H new ATOM 0 HE21 GLN A 142 0.436 -18.868 2.050 1.00 0.00 H new ATOM 0 HE22 GLN A 142 0.990 -20.012 0.822 1.00 0.00 H new ATOM 2245 N GLU A 143 4.766 -15.043 4.048 1.00 0.00 N ATOM 2246 CA GLU A 143 5.242 -15.195 5.411 1.00 0.00 C ATOM 2247 C GLU A 143 6.693 -14.802 5.356 1.00 0.00 C ATOM 2248 O GLU A 143 7.545 -15.466 4.752 1.00 0.00 O ATOM 2249 CB GLU A 143 4.987 -16.613 5.984 1.00 0.00 C ATOM 2250 CG GLU A 143 5.308 -17.795 5.049 1.00 0.00 C ATOM 2251 CD GLU A 143 4.991 -19.189 5.632 1.00 0.00 C ATOM 2252 OE1 GLU A 143 3.905 -19.420 6.206 1.00 0.00 O ATOM 2253 OE2 GLU A 143 5.827 -20.106 5.442 1.00 0.00 O ATOM 0 H GLU A 143 5.532 -15.028 3.375 1.00 0.00 H new ATOM 0 HA GLU A 143 4.697 -14.562 6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 143 5.577 -16.726 6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 143 3.939 -16.681 6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 143 4.748 -17.669 4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 143 6.366 -17.758 4.790 1.00 0.00 H new ATOM 2260 N LEU A 144 6.915 -13.585 5.835 1.00 0.00 N ATOM 2261 CA LEU A 144 8.233 -13.030 5.924 1.00 0.00 C ATOM 2262 C LEU A 144 8.965 -13.925 6.918 1.00 0.00 C ATOM 2263 O LEU A 144 8.371 -14.486 7.837 1.00 0.00 O ATOM 2264 CB LEU A 144 8.205 -11.558 6.358 1.00 0.00 C ATOM 2265 CG LEU A 144 7.649 -11.285 7.768 1.00 0.00 C ATOM 2266 CD1 LEU A 144 8.122 -9.900 8.238 1.00 0.00 C ATOM 2267 CD2 LEU A 144 6.130 -11.387 7.836 1.00 0.00 C ATOM 0 H LEU A 144 6.177 -12.965 6.169 1.00 0.00 H new ATOM 0 HA LEU A 144 8.740 -13.013 4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 144 9.220 -11.164 6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 144 7.608 -10.998 5.638 1.00 0.00 H new ATOM 0 HG LEU A 144 8.035 -12.058 8.433 1.00 0.00 H new ATOM 0 HD11 LEU A 144 7.731 -9.701 9.236 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.211 -9.877 8.264 1.00 0.00 H new ATOM 0 HD13 LEU A 144 7.759 -9.138 7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 144 5.797 -11.185 8.854 1.00 0.00 H new ATOM 0 HD22 LEU A 144 5.686 -10.659 7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 144 5.819 -12.391 7.545 1.00 0.00 H new ATOM 2279 N GLY A 145 10.263 -14.040 6.721 1.00 0.00 N ATOM 2280 CA GLY A 145 11.112 -14.869 7.564 1.00 0.00 C ATOM 2281 C GLY A 145 12.193 -14.057 8.247 1.00 0.00 C ATOM 2282 O GLY A 145 12.948 -14.627 9.032 1.00 0.00 O ATOM 0 H GLY A 145 10.763 -13.562 5.972 1.00 0.00 H new ATOM 0 HA2 GLY A 145 10.501 -15.367 8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 145 11.572 -15.651 6.959 1.00 0.00 H new ATOM 2286 N LYS A 146 12.282 -12.757 7.937 1.00 0.00 N ATOM 2287 CA LYS A 146 13.264 -11.835 8.476 1.00 0.00 C ATOM 2288 C LYS A 146 12.539 -10.574 8.955 1.00 0.00 C ATOM 2289 O LYS A 146 11.452 -10.649 9.531 1.00 0.00 O ATOM 2290 CB LYS A 146 14.394 -11.575 7.447 1.00 0.00 C ATOM 2291 CG LYS A 146 14.952 -12.817 6.716 1.00 0.00 C ATOM 2292 CD LYS A 146 14.254 -13.105 5.376 1.00 0.00 C ATOM 2293 CE LYS A 146 14.643 -12.117 4.269 1.00 0.00 C ATOM 2294 NZ LYS A 146 15.997 -12.381 3.735 1.00 0.00 N ATOM 0 H LYS A 146 11.643 -12.312 7.278 1.00 0.00 H new ATOM 0 HA LYS A 146 13.769 -12.262 9.342 1.00 0.00 H new ATOM 0 HB2 LYS A 146 14.021 -10.876 6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 146 15.219 -11.081 7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 146 16.018 -12.676 6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 146 14.849 -13.687 7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 146 14.501 -14.117 5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 146 13.174 -13.072 5.521 1.00 0.00 H new ATOM 0 HE2 LYS A 146 13.917 -12.177 3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 146 14.600 -11.100 4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 16.217 -11.690 2.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 16.695 -12.298 4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 16.032 -13.341 3.337 1.00 0.00 H new ATOM 2308 N ALA A 147 13.127 -9.403 8.731 1.00 0.00 N ATOM 2309 CA ALA A 147 12.620 -8.100 9.121 1.00 0.00 C ATOM 2310 C ALA A 147 12.126 -7.348 7.888 1.00 0.00 C ATOM 2311 O ALA A 147 12.249 -6.130 7.783 1.00 0.00 O ATOM 2312 CB ALA A 147 13.715 -7.360 9.897 1.00 0.00 C ATOM 0 H ALA A 147 14.021 -9.339 8.244 1.00 0.00 H new ATOM 0 HA ALA A 147 11.759 -8.191 9.784 1.00 0.00 H new ATOM 0 HB1 ALA A 147 13.348 -6.378 10.197 1.00 0.00 H new ATOM 0 HB2 ALA A 147 13.983 -7.934 10.784 1.00 0.00 H new ATOM 0 HB3 ALA A 147 14.593 -7.241 9.263 1.00 0.00 H new ATOM 2318 N ASN A 148 11.509 -8.081 6.958 1.00 0.00 N ATOM 2319 CA ASN A 148 10.962 -7.575 5.695 1.00 0.00 C ATOM 2320 C ASN A 148 9.958 -6.421 5.861 1.00 0.00 C ATOM 2321 O ASN A 148 9.622 -5.785 4.858 1.00 0.00 O ATOM 2322 CB ASN A 148 10.280 -8.713 4.914 1.00 0.00 C ATOM 2323 CG ASN A 148 11.186 -9.908 4.630 1.00 0.00 C ATOM 2324 OD1 ASN A 148 11.711 -10.525 5.554 1.00 0.00 O ATOM 2325 ND2 ASN A 148 11.357 -10.297 3.376 1.00 0.00 N ATOM 0 H ASN A 148 11.371 -9.086 7.068 1.00 0.00 H new ATOM 0 HA ASN A 148 11.818 -7.179 5.148 1.00 0.00 H new ATOM 0 HB2 ASN A 148 9.412 -9.055 5.477 1.00 0.00 H new ATOM 0 HB3 ASN A 148 9.911 -8.318 3.967 1.00 0.00 H new ATOM 0 HD21 ASN A 148 11.929 -11.116 3.170 1.00 0.00 H new ATOM 0 HD22 ASN A 148 10.917 -9.778 2.616 1.00 0.00 H new ATOM 2332 N THR A 149 9.493 -6.179 7.091 1.00 0.00 N ATOM 2333 CA THR A 149 8.564 -5.159 7.549 1.00 0.00 C ATOM 2334 C THR A 149 7.214 -5.206 6.834 1.00 0.00 C ATOM 2335 O THR A 149 6.983 -4.510 5.843 1.00 0.00 O ATOM 2336 CB THR A 149 9.197 -3.756 7.526 1.00 0.00 C ATOM 2337 OG1 THR A 149 10.608 -3.721 7.352 1.00 0.00 O ATOM 2338 CG2 THR A 149 8.800 -2.968 8.768 1.00 0.00 C ATOM 0 H THR A 149 9.797 -6.762 7.871 1.00 0.00 H new ATOM 0 HA THR A 149 8.346 -5.393 8.591 1.00 0.00 H new ATOM 0 HB THR A 149 8.791 -3.288 6.629 1.00 0.00 H new ATOM 0 HG1 THR A 149 11.041 -3.587 8.221 1.00 0.00 H new ATOM 0 HG21 THR A 149 9.257 -1.979 8.733 1.00 0.00 H new ATOM 0 HG22 THR A 149 7.715 -2.865 8.802 1.00 0.00 H new ATOM 0 HG23 THR A 149 9.143 -3.495 9.658 1.00 0.00 H new ATOM 2346 N THR A 150 6.278 -5.981 7.360 1.00 0.00 N ATOM 2347 CA THR A 150 4.952 -6.120 6.775 1.00 0.00 C ATOM 2348 C THR A 150 3.863 -5.494 7.662 1.00 0.00 C ATOM 2349 O THR A 150 2.705 -5.429 7.254 1.00 0.00 O ATOM 2350 CB THR A 150 4.689 -7.601 6.522 1.00 0.00 C ATOM 2351 OG1 THR A 150 4.848 -8.302 7.732 1.00 0.00 O ATOM 2352 CG2 THR A 150 5.625 -8.181 5.464 1.00 0.00 C ATOM 0 H THR A 150 6.416 -6.533 8.207 1.00 0.00 H new ATOM 0 HA THR A 150 4.917 -5.576 5.831 1.00 0.00 H new ATOM 0 HB THR A 150 3.672 -7.706 6.145 1.00 0.00 H new ATOM 0 HG1 THR A 150 4.260 -9.086 7.736 1.00 0.00 H new ATOM 0 HG21 THR A 150 5.400 -9.237 5.319 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.486 -7.647 4.524 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.658 -8.073 5.794 1.00 0.00 H new ATOM 2360 N ASP A 151 4.228 -4.967 8.845 1.00 0.00 N ATOM 2361 CA ASP A 151 3.261 -4.371 9.786 1.00 0.00 C ATOM 2362 C ASP A 151 3.768 -3.087 10.450 1.00 0.00 C ATOM 2363 O ASP A 151 4.682 -3.117 11.272 1.00 0.00 O ATOM 2364 CB ASP A 151 2.755 -5.407 10.807 1.00 0.00 C ATOM 2365 CG ASP A 151 3.745 -5.796 11.903 1.00 0.00 C ATOM 2366 OD1 ASP A 151 3.415 -5.651 13.098 1.00 0.00 O ATOM 2367 OD2 ASP A 151 4.823 -6.350 11.577 1.00 0.00 O ATOM 0 H ASP A 151 5.193 -4.942 9.174 1.00 0.00 H new ATOM 0 HA ASP A 151 2.404 -4.060 9.189 1.00 0.00 H new ATOM 0 HB2 ASP A 151 1.854 -5.014 11.279 1.00 0.00 H new ATOM 0 HB3 ASP A 151 2.465 -6.309 10.268 1.00 0.00 H new ATOM 2372 N PHE A 152 3.183 -1.941 10.083 1.00 0.00 N ATOM 2373 CA PHE A 152 3.523 -0.599 10.571 1.00 0.00 C ATOM 2374 C PHE A 152 2.363 0.393 10.376 1.00 0.00 C ATOM 2375 O PHE A 152 1.255 -0.004 10.011 1.00 0.00 O ATOM 2376 CB PHE A 152 4.806 -0.102 9.879 1.00 0.00 C ATOM 2377 CG PHE A 152 5.979 0.038 10.818 1.00 0.00 C ATOM 2378 CD1 PHE A 152 6.199 1.248 11.495 1.00 0.00 C ATOM 2379 CD2 PHE A 152 6.875 -1.029 10.984 1.00 0.00 C ATOM 2380 CE1 PHE A 152 7.319 1.393 12.329 1.00 0.00 C ATOM 2381 CE2 PHE A 152 7.990 -0.894 11.824 1.00 0.00 C ATOM 2382 CZ PHE A 152 8.214 0.322 12.489 1.00 0.00 C ATOM 0 H PHE A 152 2.422 -1.923 9.404 1.00 0.00 H new ATOM 0 HA PHE A 152 3.703 -0.662 11.644 1.00 0.00 H new ATOM 0 HB2 PHE A 152 5.071 -0.795 9.080 1.00 0.00 H new ATOM 0 HB3 PHE A 152 4.607 0.862 9.412 1.00 0.00 H new ATOM 0 HD1 PHE A 152 5.506 2.068 11.374 1.00 0.00 H new ATOM 0 HD2 PHE A 152 6.705 -1.959 10.462 1.00 0.00 H new ATOM 0 HE1 PHE A 152 7.492 2.325 12.846 1.00 0.00 H new ATOM 0 HE2 PHE A 152 8.672 -1.720 11.958 1.00 0.00 H new ATOM 0 HZ PHE A 152 9.078 0.435 13.127 1.00 0.00 H new ATOM 2392 N GLY A 153 2.578 1.664 10.727 1.00 0.00 N ATOM 2393 CA GLY A 153 1.610 2.749 10.617 1.00 0.00 C ATOM 2394 C GLY A 153 1.932 3.643 9.422 1.00 0.00 C ATOM 2395 O GLY A 153 2.811 3.319 8.622 1.00 0.00 O ATOM 0 H GLY A 153 3.471 1.974 11.111 1.00 0.00 H new ATOM 0 HA2 GLY A 153 0.606 2.338 10.509 1.00 0.00 H new ATOM 0 HA3 GLY A 153 1.615 3.341 11.532 1.00 0.00 H new ATOM 2399 N LEU A 154 1.196 4.749 9.287 1.00 0.00 N ATOM 2400 CA LEU A 154 1.358 5.728 8.215 1.00 0.00 C ATOM 2401 C LEU A 154 1.381 7.133 8.811 1.00 0.00 C ATOM 2402 O LEU A 154 0.687 7.418 9.791 1.00 0.00 O ATOM 2403 CB LEU A 154 0.210 5.626 7.189 1.00 0.00 C ATOM 2404 CG LEU A 154 0.705 5.434 5.758 1.00 0.00 C ATOM 2405 CD1 LEU A 154 0.937 3.948 5.458 1.00 0.00 C ATOM 2406 CD2 LEU A 154 -0.308 5.949 4.757 1.00 0.00 C ATOM 0 H LEU A 154 0.451 4.993 9.940 1.00 0.00 H new ATOM 0 HA LEU A 154 2.297 5.522 7.701 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -0.438 4.792 7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -0.397 6.530 7.240 1.00 0.00 H new ATOM 0 HG LEU A 154 1.638 5.991 5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 154 1.289 3.834 4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 154 1.684 3.551 6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 154 0.002 3.401 5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 154 0.071 5.799 3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -1.246 5.407 4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -0.479 7.012 4.927 1.00 0.00 H new ATOM 2418 N THR A 155 2.148 8.027 8.203 1.00 0.00 N ATOM 2419 CA THR A 155 2.296 9.422 8.602 1.00 0.00 C ATOM 2420 C THR A 155 1.453 10.266 7.626 1.00 0.00 C ATOM 2421 O THR A 155 1.941 11.218 7.020 1.00 0.00 O ATOM 2422 CB THR A 155 3.796 9.813 8.617 1.00 0.00 C ATOM 2423 OG1 THR A 155 4.617 8.775 9.142 1.00 0.00 O ATOM 2424 CG2 THR A 155 4.084 11.072 9.439 1.00 0.00 C ATOM 0 H THR A 155 2.708 7.791 7.384 1.00 0.00 H new ATOM 0 HA THR A 155 1.935 9.599 9.615 1.00 0.00 H new ATOM 0 HB THR A 155 4.033 9.999 7.569 1.00 0.00 H new ATOM 0 HG1 THR A 155 5.554 9.062 9.132 1.00 0.00 H new ATOM 0 HG21 THR A 155 5.151 11.290 9.408 1.00 0.00 H new ATOM 0 HG22 THR A 155 3.529 11.913 9.023 1.00 0.00 H new ATOM 0 HG23 THR A 155 3.776 10.910 10.472 1.00 0.00 H new ATOM 2432 N MET A 156 0.216 9.834 7.357 1.00 0.00 N ATOM 2433 CA MET A 156 -0.717 10.507 6.462 1.00 0.00 C ATOM 2434 C MET A 156 -1.138 11.842 7.083 1.00 0.00 C ATOM 2435 O MET A 156 -1.125 11.984 8.309 1.00 0.00 O ATOM 2436 CB MET A 156 -1.893 9.570 6.158 1.00 0.00 C ATOM 2437 CG MET A 156 -2.737 9.229 7.393 1.00 0.00 C ATOM 2438 SD MET A 156 -3.489 7.580 7.336 1.00 0.00 S ATOM 2439 CE MET A 156 -4.457 7.724 8.857 1.00 0.00 C ATOM 0 H MET A 156 -0.169 8.984 7.769 1.00 0.00 H new ATOM 0 HA MET A 156 -0.250 10.741 5.505 1.00 0.00 H new ATOM 0 HB2 MET A 156 -2.533 10.034 5.407 1.00 0.00 H new ATOM 0 HB3 MET A 156 -1.509 8.647 5.723 1.00 0.00 H new ATOM 0 HG2 MET A 156 -2.109 9.301 8.281 1.00 0.00 H new ATOM 0 HG3 MET A 156 -3.526 9.974 7.499 1.00 0.00 H new ATOM 0 HE1 MET A 156 -5.013 6.801 9.023 1.00 0.00 H new ATOM 0 HE2 MET A 156 -3.788 7.901 9.699 1.00 0.00 H new ATOM 0 HE3 MET A 156 -5.155 8.557 8.767 1.00 0.00 H new ATOM 2449 N LEU A 157 -1.530 12.801 6.251 1.00 0.00 N ATOM 2450 CA LEU A 157 -1.944 14.142 6.654 1.00 0.00 C ATOM 2451 C LEU A 157 -3.290 14.475 6.017 1.00 0.00 C ATOM 2452 O LEU A 157 -3.794 13.718 5.183 1.00 0.00 O ATOM 2453 CB LEU A 157 -0.903 15.198 6.213 1.00 0.00 C ATOM 2454 CG LEU A 157 0.580 14.805 6.356 1.00 0.00 C ATOM 2455 CD1 LEU A 157 1.459 15.806 5.601 1.00 0.00 C ATOM 2456 CD2 LEU A 157 1.038 14.705 7.814 1.00 0.00 C ATOM 0 H LEU A 157 -1.570 12.662 5.241 1.00 0.00 H new ATOM 0 HA LEU A 157 -2.027 14.161 7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 157 -1.091 15.446 5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 157 -1.072 16.106 6.792 1.00 0.00 H new ATOM 0 HG LEU A 157 0.685 13.810 5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 157 2.506 15.522 5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 157 1.187 15.805 4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 157 1.310 16.804 6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 157 2.091 14.425 7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 157 0.904 15.669 8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 157 0.446 13.950 8.330 1.00 0.00 H new ATOM 2468 N PHE A 158 -3.861 15.605 6.427 1.00 0.00 N ATOM 2469 CA PHE A 158 -5.127 16.162 5.979 1.00 0.00 C ATOM 2470 C PHE A 158 -4.903 17.665 5.967 1.00 0.00 C ATOM 2471 O PHE A 158 -5.010 18.281 4.887 1.00 0.00 O ATOM 2472 CB PHE A 158 -6.278 15.715 6.891 1.00 0.00 C ATOM 2473 CG PHE A 158 -6.067 15.975 8.366 1.00 0.00 C ATOM 2474 CD1 PHE A 158 -6.497 17.185 8.935 1.00 0.00 C ATOM 2475 CD2 PHE A 158 -5.398 15.022 9.158 1.00 0.00 C ATOM 2476 CE1 PHE A 158 -6.262 17.448 10.293 1.00 0.00 C ATOM 2477 CE2 PHE A 158 -5.165 15.282 10.517 1.00 0.00 C ATOM 2478 CZ PHE A 158 -5.596 16.496 11.082 1.00 0.00 C ATOM 0 H PHE A 158 -3.417 16.194 7.131 1.00 0.00 H new ATOM 0 HA PHE A 158 -5.424 15.814 4.990 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -7.189 16.223 6.575 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -6.442 14.647 6.746 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -7.010 17.915 8.326 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -5.065 14.093 8.720 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -6.592 18.379 10.730 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -4.656 14.551 11.128 1.00 0.00 H new ATOM 0 HZ PHE A 158 -5.414 16.697 12.127 1.00 0.00 H new TER 2488 PHE A 158