USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 811 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 39 GLN : amide:sc= 0.292 K(o=0.042,f=-2.6) USER MOD Set 1.2: A 50 SER OG : rot -121:sc= -0.251 USER MOD Set 2.1: A 24 THR OG1 : rot 170:sc= -0.259 USER MOD Set 2.2: A 59 HIS : no HD1:sc= -0.219 K(o=-0.48,f=-2.7) USER MOD Set 3.1: A 12 THR OG1 : rot 180:sc= 0.507 USER MOD Set 3.2: A 19 SER OG : rot 74:sc= 0.538 USER MOD Set 4.1: A 4 MET CE :methyl 145:sc= -5.58 (180deg=-5.36!) USER MOD Set 4.2: A 27 MET CE :methyl -151:sc= -3.55 (180deg=-2.84) USER MOD Set 4.3: A 34 HIS : no HE2:sc= -5.28! C(o=-14!,f=-16!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.65 K(o=-1.7,f=-2.2) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -2.87 K(o=-2.9,f=-0.79) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 113:sc= 1.24 USER MOD Single : A 25 MET CE :methyl -123:sc= -0.64 (180deg=-4.51!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.013) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0653 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00268 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0594 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.379 X(o=-0.38,f=-0.75) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -153:sc= -6.35! (180deg=-9.17!) USER MOD Single : A 69 SER OG : rot 21:sc= 0.555 USER MOD Single : A 70 THR OG1 : rot 71:sc= 0.251 USER MOD Single : A 72 TYR OH : rot -167:sc= -5.21! USER MOD Single : A 80 THR OG1 : rot -58:sc= 0.951 USER MOD Single : A 81 SER OG : rot 20:sc= 0.849 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.0852 USER MOD Single : A 86 ASN : amide:sc= -6.66! K(o=-6.7!,f=-1.3) USER MOD Single : A 90 SER OG : rot -172:sc= -0.537! USER MOD Single : A 93 SER OG : rot 135:sc= -1.15 USER MOD Single : A 97 SER OG : rot -134:sc= 1.71 USER MOD Single : A 100 THR OG1 : rot 173:sc= 1.25 USER MOD Single : A 102 SER OG : rot 50:sc= 0.122 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.635 0.345 -9.935 1.00 0.00 N ATOM 2 CA MET A 1 13.758 1.789 -9.608 1.00 0.00 C ATOM 3 C MET A 1 12.907 2.643 -10.544 1.00 0.00 C ATOM 4 O MET A 1 12.278 2.130 -11.470 1.00 0.00 O ATOM 5 CB MET A 1 15.230 2.189 -9.720 1.00 0.00 C ATOM 6 CG MET A 1 15.748 2.947 -8.509 1.00 0.00 C ATOM 7 SD MET A 1 16.090 4.680 -8.867 1.00 0.00 S ATOM 8 CE MET A 1 17.521 4.963 -7.829 1.00 0.00 C ATOM 0 H1 MET A 1 14.224 -0.210 -9.282 1.00 0.00 H new ATOM 0 H2 MET A 1 12.642 0.051 -9.840 1.00 0.00 H new ATOM 0 H3 MET A 1 13.952 0.182 -10.912 1.00 0.00 H new ATOM 0 HA MET A 1 13.398 1.958 -8.593 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.832 1.291 -9.861 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.364 2.806 -10.609 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.014 2.884 -7.705 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.658 2.468 -8.148 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.853 5.995 -7.940 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.258 4.777 -6.788 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.325 4.290 -8.126 1.00 0.00 H new ATOM 20 N ILE A 2 12.890 3.949 -10.294 1.00 0.00 N ATOM 21 CA ILE A 2 12.115 4.876 -11.111 1.00 0.00 C ATOM 22 C ILE A 2 12.646 6.300 -10.978 1.00 0.00 C ATOM 23 O ILE A 2 13.161 6.686 -9.928 1.00 0.00 O ATOM 24 CB ILE A 2 10.622 4.848 -10.724 1.00 0.00 C ATOM 25 CG1 ILE A 2 9.827 5.891 -11.534 1.00 0.00 C ATOM 26 CG2 ILE A 2 10.462 5.059 -9.223 1.00 0.00 C ATOM 27 CD1 ILE A 2 9.712 7.255 -10.879 1.00 0.00 C ATOM 0 H ILE A 2 13.405 4.389 -9.531 1.00 0.00 H new ATOM 0 HA ILE A 2 12.217 4.553 -12.147 1.00 0.00 H new ATOM 0 HB ILE A 2 10.214 3.868 -10.969 1.00 0.00 H new ATOM 0 HG12 ILE A 2 10.300 6.011 -12.509 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.824 5.504 -11.712 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.404 5.037 -8.963 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.984 4.267 -8.687 1.00 0.00 H new ATOM 0 HG23 ILE A 2 10.884 6.025 -8.944 1.00 0.00 H new ATOM 0 HD11 ILE A 2 9.136 7.920 -11.523 1.00 0.00 H new ATOM 0 HD12 ILE A 2 9.209 7.156 -9.917 1.00 0.00 H new ATOM 0 HD13 ILE A 2 10.708 7.670 -10.726 1.00 0.00 H new ATOM 39 N GLN A 3 12.516 7.075 -12.049 1.00 0.00 N ATOM 40 CA GLN A 3 12.982 8.457 -12.058 1.00 0.00 C ATOM 41 C GLN A 3 11.821 9.421 -12.281 1.00 0.00 C ATOM 42 O GLN A 3 10.724 9.008 -12.660 1.00 0.00 O ATOM 43 CB GLN A 3 14.037 8.652 -13.147 1.00 0.00 C ATOM 44 CG GLN A 3 13.636 8.063 -14.490 1.00 0.00 C ATOM 45 CD GLN A 3 14.076 8.918 -15.661 1.00 0.00 C ATOM 46 OE1 GLN A 3 15.173 9.476 -15.661 1.00 0.00 O ATOM 47 NE2 GLN A 3 13.217 9.027 -16.669 1.00 0.00 N ATOM 0 H GLN A 3 12.091 6.769 -12.924 1.00 0.00 H new ATOM 0 HA GLN A 3 13.427 8.671 -11.086 1.00 0.00 H new ATOM 0 HB2 GLN A 3 14.229 9.718 -13.269 1.00 0.00 H new ATOM 0 HB3 GLN A 3 14.972 8.195 -12.823 1.00 0.00 H new ATOM 0 HG2 GLN A 3 14.070 7.068 -14.589 1.00 0.00 H new ATOM 0 HG3 GLN A 3 12.553 7.943 -14.520 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.318 8.547 -16.627 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.457 9.591 -17.485 1.00 0.00 H new ATOM 56 N MET A 4 12.068 10.705 -12.045 1.00 0.00 N ATOM 57 CA MET A 4 11.039 11.725 -12.223 1.00 0.00 C ATOM 58 C MET A 4 9.795 11.380 -11.407 1.00 0.00 C ATOM 59 O MET A 4 9.872 10.625 -10.438 1.00 0.00 O ATOM 60 CB MET A 4 10.689 11.861 -13.708 1.00 0.00 C ATOM 61 CG MET A 4 10.870 13.272 -14.251 1.00 0.00 C ATOM 62 SD MET A 4 10.161 14.538 -13.178 1.00 0.00 S ATOM 63 CE MET A 4 9.783 15.824 -14.366 1.00 0.00 C ATOM 0 H MET A 4 12.969 11.064 -11.731 1.00 0.00 H new ATOM 0 HA MET A 4 11.425 12.679 -11.865 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.312 11.177 -14.284 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.654 11.553 -13.858 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.934 13.470 -14.384 1.00 0.00 H new ATOM 0 HG3 MET A 4 10.408 13.338 -15.236 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.868 16.337 -14.069 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.605 16.539 -14.402 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.646 15.380 -15.352 1.00 0.00 H new ATOM 73 N ALA A 5 8.651 11.930 -11.802 1.00 0.00 N ATOM 74 CA ALA A 5 7.407 11.676 -11.112 1.00 0.00 C ATOM 75 C ALA A 5 6.281 12.518 -11.714 1.00 0.00 C ATOM 76 O ALA A 5 6.408 13.736 -11.841 1.00 0.00 O ATOM 77 CB ALA A 5 7.545 11.960 -9.629 1.00 0.00 C ATOM 0 H ALA A 5 8.568 12.557 -12.602 1.00 0.00 H new ATOM 0 HA ALA A 5 7.158 10.622 -11.235 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.596 11.762 -9.131 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.318 11.318 -9.206 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.820 13.004 -9.483 1.00 0.00 H new ATOM 83 N PRO A 6 5.164 11.879 -12.093 1.00 0.00 N ATOM 84 CA PRO A 6 4.013 12.562 -12.683 1.00 0.00 C ATOM 85 C PRO A 6 3.605 13.802 -11.890 1.00 0.00 C ATOM 86 O PRO A 6 3.551 13.768 -10.661 1.00 0.00 O ATOM 87 CB PRO A 6 2.895 11.508 -12.632 1.00 0.00 C ATOM 88 CG PRO A 6 3.443 10.367 -11.833 1.00 0.00 C ATOM 89 CD PRO A 6 4.933 10.443 -11.974 1.00 0.00 C ATOM 0 HA PRO A 6 4.231 12.921 -13.689 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.996 11.914 -12.168 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.617 11.185 -13.635 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.145 10.444 -10.787 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.064 9.414 -12.203 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.445 10.020 -11.110 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.286 9.901 -12.851 1.00 0.00 H new ATOM 97 N PRO A 7 3.304 14.918 -12.579 1.00 0.00 N ATOM 98 CA PRO A 7 2.893 16.160 -11.918 1.00 0.00 C ATOM 99 C PRO A 7 1.550 16.013 -11.213 1.00 0.00 C ATOM 100 O PRO A 7 1.153 14.910 -10.835 1.00 0.00 O ATOM 101 CB PRO A 7 2.778 17.176 -13.063 1.00 0.00 C ATOM 102 CG PRO A 7 3.452 16.545 -14.234 1.00 0.00 C ATOM 103 CD PRO A 7 3.330 15.061 -14.043 1.00 0.00 C ATOM 0 HA PRO A 7 3.603 16.456 -11.146 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.734 17.398 -13.285 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.256 18.119 -12.798 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.982 16.857 -15.167 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.498 16.845 -14.288 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.424 14.668 -14.503 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.170 14.526 -14.486 1.00 0.00 H new ATOM 111 N SER A 8 0.852 17.130 -11.047 1.00 0.00 N ATOM 112 CA SER A 8 -0.452 17.126 -10.397 1.00 0.00 C ATOM 113 C SER A 8 -1.548 17.454 -11.403 1.00 0.00 C ATOM 114 O SER A 8 -1.844 18.622 -11.654 1.00 0.00 O ATOM 115 CB SER A 8 -0.476 18.136 -9.248 1.00 0.00 C ATOM 116 OG SER A 8 0.293 17.678 -8.149 1.00 0.00 O ATOM 0 H SER A 8 1.168 18.050 -11.354 1.00 0.00 H new ATOM 0 HA SER A 8 -0.633 16.130 -9.994 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.087 19.094 -9.594 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.505 18.306 -8.930 1.00 0.00 H new ATOM 0 HG SER A 8 0.263 18.342 -7.429 1.00 0.00 H new ATOM 122 N LEU A 9 -2.143 16.416 -11.984 1.00 0.00 N ATOM 123 CA LEU A 9 -3.200 16.600 -12.971 1.00 0.00 C ATOM 124 C LEU A 9 -4.540 16.878 -12.301 1.00 0.00 C ATOM 125 O LEU A 9 -4.821 16.382 -11.210 1.00 0.00 O ATOM 126 CB LEU A 9 -3.316 15.366 -13.873 1.00 0.00 C ATOM 127 CG LEU A 9 -3.073 15.623 -15.364 1.00 0.00 C ATOM 128 CD1 LEU A 9 -3.559 14.445 -16.196 1.00 0.00 C ATOM 129 CD2 LEU A 9 -3.759 16.903 -15.814 1.00 0.00 C ATOM 0 H LEU A 9 -1.911 15.442 -11.789 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.935 17.464 -13.580 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.604 14.616 -13.529 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.312 14.939 -13.752 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.000 15.738 -15.515 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.378 14.646 -17.252 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.021 13.544 -15.901 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.627 14.300 -16.032 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.571 17.063 -16.876 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.832 16.820 -15.644 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.366 17.746 -15.245 1.00 0.00 H new ATOM 141 N ASN A 10 -5.362 17.672 -12.974 1.00 0.00 N ATOM 142 CA ASN A 10 -6.682 18.025 -12.469 1.00 0.00 C ATOM 143 C ASN A 10 -7.568 18.504 -13.615 1.00 0.00 C ATOM 144 O ASN A 10 -7.132 19.275 -14.469 1.00 0.00 O ATOM 145 CB ASN A 10 -6.569 19.102 -11.383 1.00 0.00 C ATOM 146 CG ASN A 10 -7.897 19.757 -11.052 1.00 0.00 C ATOM 147 OD1 ASN A 10 -8.671 19.246 -10.241 1.00 0.00 O ATOM 148 ND2 ASN A 10 -8.166 20.895 -11.680 1.00 0.00 N ATOM 0 H ASN A 10 -5.135 18.087 -13.878 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.138 17.141 -12.024 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -6.156 18.655 -10.479 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.865 19.867 -11.711 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -9.043 21.383 -11.499 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.495 21.282 -12.344 1.00 0.00 H new ATOM 155 N VAL A 11 -8.807 18.035 -13.630 1.00 0.00 N ATOM 156 CA VAL A 11 -9.750 18.407 -14.679 1.00 0.00 C ATOM 157 C VAL A 11 -10.628 19.581 -14.254 1.00 0.00 C ATOM 158 O VAL A 11 -11.275 19.541 -13.208 1.00 0.00 O ATOM 159 CB VAL A 11 -10.650 17.216 -15.068 1.00 0.00 C ATOM 160 CG1 VAL A 11 -11.662 17.623 -16.130 1.00 0.00 C ATOM 161 CG2 VAL A 11 -9.807 16.046 -15.550 1.00 0.00 C ATOM 0 H VAL A 11 -9.184 17.397 -12.929 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.156 18.706 -15.543 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.200 16.902 -14.181 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.284 16.766 -16.387 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.291 18.426 -15.745 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.136 17.969 -17.020 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.459 15.215 -15.820 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.227 16.350 -16.421 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.130 15.733 -14.755 1.00 0.00 H new ATOM 171 N THR A 12 -10.653 20.619 -15.085 1.00 0.00 N ATOM 172 CA THR A 12 -11.460 21.802 -14.813 1.00 0.00 C ATOM 173 C THR A 12 -12.374 22.108 -15.985 1.00 0.00 C ATOM 174 O THR A 12 -11.922 22.354 -17.103 1.00 0.00 O ATOM 175 CB THR A 12 -10.570 23.008 -14.516 1.00 0.00 C ATOM 176 OG1 THR A 12 -9.799 23.354 -15.652 1.00 0.00 O ATOM 177 CG2 THR A 12 -9.614 22.781 -13.364 1.00 0.00 C ATOM 0 H THR A 12 -10.122 20.664 -15.955 1.00 0.00 H new ATOM 0 HA THR A 12 -12.073 21.596 -13.935 1.00 0.00 H new ATOM 0 HB THR A 12 -11.255 23.811 -14.244 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.237 24.129 -15.442 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.013 23.677 -13.208 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.180 22.562 -12.459 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.959 21.941 -13.595 1.00 0.00 H new ATOM 185 N LYS A 13 -13.666 22.083 -15.709 1.00 0.00 N ATOM 186 CA LYS A 13 -14.675 22.352 -16.728 1.00 0.00 C ATOM 187 C LYS A 13 -15.148 23.806 -16.645 1.00 0.00 C ATOM 188 O LYS A 13 -15.176 24.398 -15.566 1.00 0.00 O ATOM 189 CB LYS A 13 -15.842 21.345 -16.588 1.00 0.00 C ATOM 190 CG LYS A 13 -17.211 21.949 -16.287 1.00 0.00 C ATOM 191 CD LYS A 13 -18.332 20.965 -16.580 1.00 0.00 C ATOM 192 CE LYS A 13 -19.442 21.609 -17.393 1.00 0.00 C ATOM 193 NZ LYS A 13 -20.179 22.640 -16.611 1.00 0.00 N ATOM 0 H LYS A 13 -14.046 21.879 -14.785 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.239 22.217 -17.718 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.915 20.772 -17.512 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.595 20.640 -15.794 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -17.255 22.250 -15.240 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.351 22.850 -16.884 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.933 20.108 -17.123 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -18.739 20.587 -15.642 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.018 22.066 -18.287 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -20.139 20.841 -17.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.927 23.055 -17.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -20.605 22.199 -15.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -19.519 23.387 -16.313 1.00 0.00 H new ATOM 207 N ASP A 14 -15.513 24.373 -17.790 1.00 0.00 N ATOM 208 CA ASP A 14 -15.975 25.754 -17.841 1.00 0.00 C ATOM 209 C ASP A 14 -17.103 25.925 -18.854 1.00 0.00 C ATOM 210 O ASP A 14 -16.973 26.681 -19.818 1.00 0.00 O ATOM 211 CB ASP A 14 -14.816 26.686 -18.195 1.00 0.00 C ATOM 212 CG ASP A 14 -13.625 26.502 -17.276 1.00 0.00 C ATOM 213 OD1 ASP A 14 -12.884 25.512 -17.454 1.00 0.00 O ATOM 214 OD2 ASP A 14 -13.433 27.348 -16.377 1.00 0.00 O ATOM 0 H ASP A 14 -15.498 23.898 -18.693 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.360 26.013 -16.855 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.508 26.504 -19.225 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.156 27.720 -18.142 1.00 0.00 H new ATOM 219 N GLY A 15 -18.210 25.223 -18.633 1.00 0.00 N ATOM 220 CA GLY A 15 -19.340 25.320 -19.537 1.00 0.00 C ATOM 221 C GLY A 15 -19.648 24.005 -20.221 1.00 0.00 C ATOM 222 O GLY A 15 -20.528 23.263 -19.788 1.00 0.00 O ATOM 0 H GLY A 15 -18.344 24.590 -17.845 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.218 25.652 -18.982 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.134 26.079 -20.292 1.00 0.00 H new ATOM 226 N ASP A 16 -18.920 23.716 -21.294 1.00 0.00 N ATOM 227 CA ASP A 16 -19.120 22.481 -22.040 1.00 0.00 C ATOM 228 C ASP A 16 -17.785 21.893 -22.489 1.00 0.00 C ATOM 229 O ASP A 16 -17.719 21.155 -23.471 1.00 0.00 O ATOM 230 CB ASP A 16 -20.016 22.731 -23.254 1.00 0.00 C ATOM 231 CG ASP A 16 -21.202 23.617 -22.926 1.00 0.00 C ATOM 232 OD1 ASP A 16 -21.892 23.338 -21.924 1.00 0.00 O ATOM 233 OD2 ASP A 16 -21.440 24.590 -23.672 1.00 0.00 O ATOM 0 H ASP A 16 -18.187 24.320 -21.666 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.608 21.764 -21.380 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.428 23.194 -24.046 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -20.375 21.777 -23.640 1.00 0.00 H new ATOM 238 N SER A 17 -16.724 22.227 -21.760 1.00 0.00 N ATOM 239 CA SER A 17 -15.391 21.732 -22.083 1.00 0.00 C ATOM 240 C SER A 17 -14.637 21.345 -20.814 1.00 0.00 C ATOM 241 O SER A 17 -14.988 21.775 -19.716 1.00 0.00 O ATOM 242 CB SER A 17 -14.602 22.792 -22.853 1.00 0.00 C ATOM 243 OG SER A 17 -15.468 23.755 -23.428 1.00 0.00 O ATOM 0 H SER A 17 -16.762 22.837 -20.943 1.00 0.00 H new ATOM 0 HA SER A 17 -15.500 20.846 -22.708 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.899 23.285 -22.182 1.00 0.00 H new ATOM 0 HB3 SER A 17 -14.013 22.314 -23.636 1.00 0.00 H new ATOM 0 HG SER A 17 -14.939 24.422 -23.913 1.00 0.00 H new ATOM 249 N TYR A 18 -13.600 20.529 -20.975 1.00 0.00 N ATOM 250 CA TYR A 18 -12.798 20.086 -19.842 1.00 0.00 C ATOM 251 C TYR A 18 -11.310 20.276 -20.115 1.00 0.00 C ATOM 252 O TYR A 18 -10.786 19.796 -21.119 1.00 0.00 O ATOM 253 CB TYR A 18 -13.080 18.616 -19.532 1.00 0.00 C ATOM 254 CG TYR A 18 -14.518 18.342 -19.164 1.00 0.00 C ATOM 255 CD1 TYR A 18 -15.500 18.270 -20.141 1.00 0.00 C ATOM 256 CD2 TYR A 18 -14.893 18.155 -17.840 1.00 0.00 C ATOM 257 CE1 TYR A 18 -16.817 18.020 -19.812 1.00 0.00 C ATOM 258 CE2 TYR A 18 -16.208 17.904 -17.501 1.00 0.00 C ATOM 259 CZ TYR A 18 -17.166 17.837 -18.490 1.00 0.00 C ATOM 260 OH TYR A 18 -18.477 17.586 -18.157 1.00 0.00 O ATOM 0 H TYR A 18 -13.297 20.162 -21.877 1.00 0.00 H new ATOM 0 HA TYR A 18 -13.073 20.695 -18.981 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.814 18.013 -20.400 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.436 18.296 -18.712 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -15.229 18.412 -21.177 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -14.144 18.207 -17.063 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -17.570 17.968 -20.585 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -16.484 17.761 -16.467 1.00 0.00 H new ATOM 0 HH TYR A 18 -18.558 16.672 -17.814 1.00 0.00 H new ATOM 270 N SER A 19 -10.634 20.970 -19.206 1.00 0.00 N ATOM 271 CA SER A 19 -9.203 21.213 -19.338 1.00 0.00 C ATOM 272 C SER A 19 -8.444 20.546 -18.197 1.00 0.00 C ATOM 273 O SER A 19 -8.955 20.440 -17.082 1.00 0.00 O ATOM 274 CB SER A 19 -8.913 22.715 -19.353 1.00 0.00 C ATOM 275 OG SER A 19 -9.870 23.430 -18.591 1.00 0.00 O ATOM 0 H SER A 19 -11.055 21.374 -18.369 1.00 0.00 H new ATOM 0 HA SER A 19 -8.868 20.783 -20.282 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.916 22.899 -18.954 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.917 23.079 -20.381 1.00 0.00 H new ATOM 0 HG SER A 19 -9.698 23.291 -17.636 1.00 0.00 H new ATOM 281 N LEU A 20 -7.228 20.090 -18.477 1.00 0.00 N ATOM 282 CA LEU A 20 -6.416 19.428 -17.462 1.00 0.00 C ATOM 283 C LEU A 20 -5.323 20.358 -16.946 1.00 0.00 C ATOM 284 O LEU A 20 -4.524 20.881 -17.721 1.00 0.00 O ATOM 285 CB LEU A 20 -5.788 18.137 -18.006 1.00 0.00 C ATOM 286 CG LEU A 20 -6.212 17.732 -19.419 1.00 0.00 C ATOM 287 CD1 LEU A 20 -5.512 16.450 -19.836 1.00 0.00 C ATOM 288 CD2 LEU A 20 -7.720 17.565 -19.489 1.00 0.00 C ATOM 0 H LEU A 20 -6.785 20.166 -19.393 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.077 19.169 -16.635 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.704 18.249 -17.991 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.034 17.322 -17.326 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.920 18.522 -20.110 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.825 16.176 -20.844 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.433 16.603 -19.820 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.775 15.650 -19.144 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.008 17.277 -20.500 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.033 16.791 -18.788 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.203 18.507 -19.229 1.00 0.00 H new ATOM 300 N ARG A 21 -5.295 20.554 -15.633 1.00 0.00 N ATOM 301 CA ARG A 21 -4.298 21.418 -15.012 1.00 0.00 C ATOM 302 C ARG A 21 -3.185 20.592 -14.380 1.00 0.00 C ATOM 303 O ARG A 21 -3.396 19.895 -13.389 1.00 0.00 O ATOM 304 CB ARG A 21 -4.950 22.314 -13.960 1.00 0.00 C ATOM 305 CG ARG A 21 -4.307 23.689 -13.848 1.00 0.00 C ATOM 306 CD ARG A 21 -5.338 24.799 -13.981 1.00 0.00 C ATOM 307 NE ARG A 21 -4.725 26.079 -14.329 1.00 0.00 N ATOM 308 CZ ARG A 21 -5.423 27.161 -14.664 1.00 0.00 C ATOM 309 NH1 ARG A 21 -6.748 27.114 -14.694 1.00 0.00 N ATOM 310 NH2 ARG A 21 -4.798 28.291 -14.969 1.00 0.00 N ATOM 0 H ARG A 21 -5.950 20.127 -14.978 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.863 22.047 -15.789 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.006 22.435 -14.201 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.899 21.818 -12.991 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.798 23.777 -12.888 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.548 23.801 -14.622 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.067 24.527 -14.745 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.883 24.902 -13.043 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.707 26.147 -14.314 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.233 26.248 -14.460 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.282 27.944 -14.951 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.779 28.332 -14.947 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.336 29.118 -15.225 1.00 0.00 H new ATOM 324 N TRP A 22 -1.999 20.678 -14.968 1.00 0.00 N ATOM 325 CA TRP A 22 -0.841 19.941 -14.474 1.00 0.00 C ATOM 326 C TRP A 22 0.351 20.870 -14.268 1.00 0.00 C ATOM 327 O TRP A 22 0.861 21.463 -15.217 1.00 0.00 O ATOM 328 CB TRP A 22 -0.467 18.822 -15.450 1.00 0.00 C ATOM 329 CG TRP A 22 -0.155 19.303 -16.836 1.00 0.00 C ATOM 330 CD1 TRP A 22 1.041 19.775 -17.287 1.00 0.00 C ATOM 331 CD2 TRP A 22 -1.050 19.349 -17.952 1.00 0.00 C ATOM 332 NE1 TRP A 22 0.945 20.118 -18.616 1.00 0.00 N ATOM 333 CE2 TRP A 22 -0.329 19.863 -19.047 1.00 0.00 C ATOM 334 CE3 TRP A 22 -2.390 19.006 -18.133 1.00 0.00 C ATOM 335 CZ2 TRP A 22 -0.909 20.038 -20.301 1.00 0.00 C ATOM 336 CZ3 TRP A 22 -2.960 19.180 -19.380 1.00 0.00 C ATOM 337 CH2 TRP A 22 -2.222 19.691 -20.444 1.00 0.00 C ATOM 0 H TRP A 22 -1.812 21.252 -15.790 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.106 19.502 -13.512 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.398 18.286 -15.059 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.289 18.108 -15.500 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.935 19.867 -16.688 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.699 20.500 -19.187 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.972 18.611 -17.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.341 20.434 -21.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.996 18.915 -19.532 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -2.699 19.816 -21.405 1.00 0.00 H new ATOM 348 N GLU A 23 0.790 20.988 -13.019 1.00 0.00 N ATOM 349 CA GLU A 23 1.923 21.842 -12.684 1.00 0.00 C ATOM 350 C GLU A 23 3.130 21.008 -12.271 1.00 0.00 C ATOM 351 O GLU A 23 2.999 20.032 -11.531 1.00 0.00 O ATOM 352 CB GLU A 23 1.546 22.808 -11.559 1.00 0.00 C ATOM 353 CG GLU A 23 0.629 23.935 -12.007 1.00 0.00 C ATOM 354 CD GLU A 23 -0.819 23.696 -11.632 1.00 0.00 C ATOM 355 OE1 GLU A 23 -1.201 24.030 -10.490 1.00 0.00 O ATOM 356 OE2 GLU A 23 -1.574 23.173 -12.479 1.00 0.00 O ATOM 0 H GLU A 23 0.378 20.503 -12.222 1.00 0.00 H new ATOM 0 HA GLU A 23 2.188 22.416 -13.572 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.058 22.250 -10.760 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.456 23.236 -11.139 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.966 24.871 -11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.705 24.052 -13.088 1.00 0.00 H new ATOM 363 N THR A 24 4.305 21.395 -12.757 1.00 0.00 N ATOM 364 CA THR A 24 5.537 20.681 -12.443 1.00 0.00 C ATOM 365 C THR A 24 6.311 21.380 -11.332 1.00 0.00 C ATOM 366 O THR A 24 6.306 22.607 -11.233 1.00 0.00 O ATOM 367 CB THR A 24 6.419 20.569 -13.687 1.00 0.00 C ATOM 368 OG1 THR A 24 5.932 21.408 -14.720 1.00 0.00 O ATOM 369 CG2 THR A 24 6.502 19.161 -14.237 1.00 0.00 C ATOM 0 H THR A 24 4.430 22.200 -13.371 1.00 0.00 H new ATOM 0 HA THR A 24 5.263 19.683 -12.101 1.00 0.00 H new ATOM 0 HB THR A 24 7.415 20.874 -13.366 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.590 21.449 -15.445 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.143 19.152 -15.119 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.919 18.498 -13.479 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.504 18.818 -14.510 1.00 0.00 H new ATOM 377 N MET A 25 6.990 20.589 -10.510 1.00 0.00 N ATOM 378 CA MET A 25 7.787 21.129 -9.417 1.00 0.00 C ATOM 379 C MET A 25 9.092 21.732 -9.939 1.00 0.00 C ATOM 380 O MET A 25 9.821 22.389 -9.197 1.00 0.00 O ATOM 381 CB MET A 25 8.092 20.034 -8.392 1.00 0.00 C ATOM 382 CG MET A 25 6.933 19.737 -7.455 1.00 0.00 C ATOM 383 SD MET A 25 5.909 18.371 -8.030 1.00 0.00 S ATOM 384 CE MET A 25 4.696 19.252 -9.011 1.00 0.00 C ATOM 0 H MET A 25 7.004 19.572 -10.580 1.00 0.00 H new ATOM 0 HA MET A 25 7.210 21.919 -8.935 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.365 19.120 -8.920 1.00 0.00 H new ATOM 0 HB3 MET A 25 8.958 20.332 -7.801 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.323 19.502 -6.464 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.316 20.630 -7.352 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.696 19.030 -8.638 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.880 20.324 -8.940 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.773 18.939 -10.052 1.00 0.00 H new ATOM 394 N LYS A 26 9.383 21.505 -11.222 1.00 0.00 N ATOM 395 CA LYS A 26 10.598 22.027 -11.834 1.00 0.00 C ATOM 396 C LYS A 26 11.842 21.339 -11.272 1.00 0.00 C ATOM 397 O LYS A 26 12.960 21.825 -11.442 1.00 0.00 O ATOM 398 CB LYS A 26 10.692 23.537 -11.619 1.00 0.00 C ATOM 399 CG LYS A 26 9.365 24.261 -11.773 1.00 0.00 C ATOM 400 CD LYS A 26 8.850 24.181 -13.202 1.00 0.00 C ATOM 401 CE LYS A 26 7.546 24.943 -13.368 1.00 0.00 C ATOM 402 NZ LYS A 26 7.778 26.395 -13.609 1.00 0.00 N ATOM 0 H LYS A 26 8.792 20.964 -11.853 1.00 0.00 H new ATOM 0 HA LYS A 26 10.550 21.820 -12.903 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.087 23.729 -10.621 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.407 23.952 -12.330 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.631 23.825 -11.095 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.484 25.306 -11.486 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.599 24.586 -13.883 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.700 23.137 -13.478 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.983 24.522 -14.201 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.935 24.816 -12.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.864 26.879 -13.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.293 26.803 -12.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.339 26.518 -14.476 1.00 0.00 H new ATOM 416 N MET A 27 11.642 20.202 -10.606 1.00 0.00 N ATOM 417 CA MET A 27 12.746 19.442 -10.024 1.00 0.00 C ATOM 418 C MET A 27 13.720 20.352 -9.284 1.00 0.00 C ATOM 419 O MET A 27 14.914 20.062 -9.210 1.00 0.00 O ATOM 420 CB MET A 27 13.501 18.660 -11.106 1.00 0.00 C ATOM 421 CG MET A 27 12.674 18.352 -12.345 1.00 0.00 C ATOM 422 SD MET A 27 11.180 17.415 -11.969 1.00 0.00 S ATOM 423 CE MET A 27 9.926 18.480 -12.674 1.00 0.00 C ATOM 0 H MET A 27 10.723 19.787 -10.456 1.00 0.00 H new ATOM 0 HA MET A 27 12.313 18.741 -9.310 1.00 0.00 H new ATOM 0 HB2 MET A 27 14.381 19.230 -11.403 1.00 0.00 H new ATOM 0 HB3 MET A 27 13.858 17.723 -10.679 1.00 0.00 H new ATOM 0 HG2 MET A 27 12.399 19.286 -12.834 1.00 0.00 H new ATOM 0 HG3 MET A 27 13.283 17.789 -13.052 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.993 18.358 -12.123 1.00 0.00 H new ATOM 0 HE2 MET A 27 10.252 19.518 -12.609 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.768 18.214 -13.719 1.00 0.00 H new ATOM 433 N ARG A 28 13.213 21.450 -8.735 1.00 0.00 N ATOM 434 CA ARG A 28 14.063 22.382 -8.005 1.00 0.00 C ATOM 435 C ARG A 28 15.237 22.822 -8.868 1.00 0.00 C ATOM 436 O ARG A 28 16.300 23.176 -8.358 1.00 0.00 O ATOM 437 CB ARG A 28 14.593 21.714 -6.743 1.00 0.00 C ATOM 438 CG ARG A 28 13.506 21.311 -5.759 1.00 0.00 C ATOM 439 CD ARG A 28 13.615 19.843 -5.378 1.00 0.00 C ATOM 440 NE ARG A 28 14.527 19.634 -4.259 1.00 0.00 N ATOM 441 CZ ARG A 28 14.992 18.442 -3.899 1.00 0.00 C ATOM 442 NH1 ARG A 28 14.628 17.357 -4.568 1.00 0.00 N ATOM 443 NH2 ARG A 28 15.821 18.334 -2.870 1.00 0.00 N ATOM 0 H ARG A 28 12.229 21.715 -8.780 1.00 0.00 H new ATOM 0 HA ARG A 28 13.469 23.256 -7.740 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.162 20.828 -7.024 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.285 22.394 -6.247 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.579 21.927 -4.863 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.527 21.502 -6.198 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.628 19.462 -5.117 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.960 19.270 -6.239 1.00 0.00 H new ATOM 0 HE ARG A 28 14.825 20.449 -3.722 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.990 17.436 -5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.986 16.443 -4.291 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.103 19.167 -2.353 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.177 17.418 -2.595 1.00 0.00 H new ATOM 457 N TYR A 29 15.045 22.775 -10.177 1.00 0.00 N ATOM 458 CA TYR A 29 16.092 23.144 -11.115 1.00 0.00 C ATOM 459 C TYR A 29 15.779 24.474 -11.797 1.00 0.00 C ATOM 460 O TYR A 29 14.826 25.161 -11.433 1.00 0.00 O ATOM 461 CB TYR A 29 16.252 22.036 -12.150 1.00 0.00 C ATOM 462 CG TYR A 29 17.542 21.260 -12.020 1.00 0.00 C ATOM 463 CD1 TYR A 29 18.773 21.901 -12.073 1.00 0.00 C ATOM 464 CD2 TYR A 29 17.527 19.883 -11.845 1.00 0.00 C ATOM 465 CE1 TYR A 29 19.953 21.192 -11.954 1.00 0.00 C ATOM 466 CE2 TYR A 29 18.701 19.166 -11.725 1.00 0.00 C ATOM 467 CZ TYR A 29 19.911 19.824 -11.780 1.00 0.00 C ATOM 468 OH TYR A 29 21.083 19.112 -11.662 1.00 0.00 O ATOM 0 H TYR A 29 14.171 22.484 -10.614 1.00 0.00 H new ATOM 0 HA TYR A 29 17.027 23.269 -10.568 1.00 0.00 H new ATOM 0 HB2 TYR A 29 15.413 21.345 -12.062 1.00 0.00 H new ATOM 0 HB3 TYR A 29 16.201 22.473 -13.147 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.809 22.972 -12.210 1.00 0.00 H new ATOM 0 HD2 TYR A 29 16.581 19.364 -11.802 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.902 21.705 -11.997 1.00 0.00 H new ATOM 0 HE2 TYR A 29 18.671 18.095 -11.589 1.00 0.00 H new ATOM 0 HH TYR A 29 20.878 18.161 -11.544 1.00 0.00 H new ATOM 478 N GLU A 30 16.595 24.830 -12.784 1.00 0.00 N ATOM 479 CA GLU A 30 16.413 26.079 -13.514 1.00 0.00 C ATOM 480 C GLU A 30 15.237 25.987 -14.481 1.00 0.00 C ATOM 481 O GLU A 30 14.406 25.083 -14.380 1.00 0.00 O ATOM 482 CB GLU A 30 17.689 26.440 -14.278 1.00 0.00 C ATOM 483 CG GLU A 30 18.955 26.294 -13.450 1.00 0.00 C ATOM 484 CD GLU A 30 20.208 26.254 -14.302 1.00 0.00 C ATOM 485 OE1 GLU A 30 20.754 27.336 -14.604 1.00 0.00 O ATOM 486 OE2 GLU A 30 20.642 25.143 -14.668 1.00 0.00 O ATOM 0 H GLU A 30 17.389 24.271 -13.097 1.00 0.00 H new ATOM 0 HA GLU A 30 16.197 26.862 -12.787 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.766 25.805 -15.160 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.612 27.468 -14.631 1.00 0.00 H new ATOM 0 HG2 GLU A 30 19.024 27.125 -12.748 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.894 25.381 -12.857 1.00 0.00 H new ATOM 493 N HIS A 31 15.173 26.928 -15.418 1.00 0.00 N ATOM 494 CA HIS A 31 14.098 26.955 -16.403 1.00 0.00 C ATOM 495 C HIS A 31 14.291 25.869 -17.457 1.00 0.00 C ATOM 496 O HIS A 31 14.661 26.154 -18.595 1.00 0.00 O ATOM 497 CB HIS A 31 14.031 28.326 -17.079 1.00 0.00 C ATOM 498 CG HIS A 31 13.724 29.447 -16.134 1.00 0.00 C ATOM 499 ND1 HIS A 31 13.504 30.743 -16.551 1.00 0.00 N ATOM 500 CD2 HIS A 31 13.603 29.461 -14.785 1.00 0.00 C ATOM 501 CE1 HIS A 31 13.262 31.506 -15.500 1.00 0.00 C ATOM 502 NE2 HIS A 31 13.315 30.753 -14.418 1.00 0.00 N ATOM 0 H HIS A 31 15.853 27.682 -15.516 1.00 0.00 H new ATOM 0 HA HIS A 31 13.161 26.766 -15.880 1.00 0.00 H new ATOM 0 HB2 HIS A 31 14.983 28.526 -17.570 1.00 0.00 H new ATOM 0 HB3 HIS A 31 13.270 28.300 -17.859 1.00 0.00 H new ATOM 0 HD2 HIS A 31 13.712 28.615 -14.122 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.056 32.566 -15.523 1.00 0.00 H new ATOM 0 HE2 HIS A 31 13.166 31.078 -13.463 1.00 0.00 H new ATOM 511 N ILE A 32 14.033 24.624 -17.071 1.00 0.00 N ATOM 512 CA ILE A 32 14.173 23.498 -17.985 1.00 0.00 C ATOM 513 C ILE A 32 13.008 23.450 -18.970 1.00 0.00 C ATOM 514 O ILE A 32 11.970 24.075 -18.747 1.00 0.00 O ATOM 515 CB ILE A 32 14.249 22.160 -17.224 1.00 0.00 C ATOM 516 CG1 ILE A 32 15.206 22.274 -16.037 1.00 0.00 C ATOM 517 CG2 ILE A 32 14.687 21.044 -18.159 1.00 0.00 C ATOM 518 CD1 ILE A 32 15.277 21.019 -15.193 1.00 0.00 C ATOM 0 H ILE A 32 13.726 24.370 -16.132 1.00 0.00 H new ATOM 0 HA ILE A 32 15.104 23.644 -18.532 1.00 0.00 H new ATOM 0 HB ILE A 32 13.256 21.920 -16.842 1.00 0.00 H new ATOM 0 HG12 ILE A 32 16.204 22.510 -16.407 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.894 23.108 -15.408 1.00 0.00 H new ATOM 0 HG21 ILE A 32 14.736 20.105 -17.607 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.969 20.949 -18.974 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.670 21.277 -18.568 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.975 21.173 -14.370 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.288 20.793 -14.793 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.619 20.186 -15.807 1.00 0.00 H new ATOM 530 N ASP A 33 13.186 22.713 -20.062 1.00 0.00 N ATOM 531 CA ASP A 33 12.151 22.595 -21.082 1.00 0.00 C ATOM 532 C ASP A 33 11.088 21.575 -20.686 1.00 0.00 C ATOM 533 O ASP A 33 9.893 21.802 -20.882 1.00 0.00 O ATOM 534 CB ASP A 33 12.772 22.198 -22.424 1.00 0.00 C ATOM 535 CG ASP A 33 13.640 20.961 -22.320 1.00 0.00 C ATOM 536 OD1 ASP A 33 14.001 20.581 -21.187 1.00 0.00 O ATOM 537 OD2 ASP A 33 13.959 20.373 -23.375 1.00 0.00 O ATOM 0 H ASP A 33 14.038 22.189 -20.263 1.00 0.00 H new ATOM 0 HA ASP A 33 11.670 23.568 -21.177 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.978 22.020 -23.149 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.370 23.027 -22.803 1.00 0.00 H new ATOM 542 N HIS A 34 11.527 20.445 -20.142 1.00 0.00 N ATOM 543 CA HIS A 34 10.605 19.388 -19.735 1.00 0.00 C ATOM 544 C HIS A 34 9.651 19.045 -20.876 1.00 0.00 C ATOM 545 O HIS A 34 9.772 19.579 -21.979 1.00 0.00 O ATOM 546 CB HIS A 34 9.804 19.811 -18.500 1.00 0.00 C ATOM 547 CG HIS A 34 10.588 19.764 -17.226 1.00 0.00 C ATOM 548 ND1 HIS A 34 11.167 20.877 -16.656 1.00 0.00 N ATOM 549 CD2 HIS A 34 10.883 18.728 -16.405 1.00 0.00 C ATOM 550 CE1 HIS A 34 11.784 20.528 -15.541 1.00 0.00 C ATOM 551 NE2 HIS A 34 11.626 19.229 -15.367 1.00 0.00 N ATOM 0 H HIS A 34 12.511 20.237 -19.973 1.00 0.00 H new ATOM 0 HA HIS A 34 11.193 18.505 -19.485 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.432 20.825 -18.649 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.933 19.163 -18.404 1.00 0.00 H new ATOM 0 HD1 HIS A 34 11.126 21.823 -17.036 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.588 17.698 -16.542 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.325 21.192 -14.884 1.00 0.00 H new ATOM 560 N THR A 35 8.703 18.158 -20.604 1.00 0.00 N ATOM 561 CA THR A 35 7.729 17.751 -21.610 1.00 0.00 C ATOM 562 C THR A 35 6.472 17.201 -20.948 1.00 0.00 C ATOM 563 O THR A 35 6.473 16.892 -19.757 1.00 0.00 O ATOM 564 CB THR A 35 8.335 16.700 -22.541 1.00 0.00 C ATOM 565 OG1 THR A 35 9.650 16.369 -22.135 1.00 0.00 O ATOM 566 CG2 THR A 35 8.397 17.147 -23.985 1.00 0.00 C ATOM 0 H THR A 35 8.587 17.707 -19.697 1.00 0.00 H new ATOM 0 HA THR A 35 7.457 18.628 -22.198 1.00 0.00 H new ATOM 0 HB THR A 35 7.673 15.836 -22.473 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.020 15.694 -22.742 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.837 16.356 -24.592 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.390 17.362 -24.343 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.009 18.046 -24.062 1.00 0.00 H new ATOM 574 N PHE A 36 5.397 17.083 -21.722 1.00 0.00 N ATOM 575 CA PHE A 36 4.139 16.574 -21.193 1.00 0.00 C ATOM 576 C PHE A 36 3.386 15.751 -22.233 1.00 0.00 C ATOM 577 O PHE A 36 2.776 16.299 -23.152 1.00 0.00 O ATOM 578 CB PHE A 36 3.263 17.729 -20.713 1.00 0.00 C ATOM 579 CG PHE A 36 3.821 18.439 -19.515 1.00 0.00 C ATOM 580 CD1 PHE A 36 3.789 17.843 -18.264 1.00 0.00 C ATOM 581 CD2 PHE A 36 4.380 19.700 -19.640 1.00 0.00 C ATOM 582 CE1 PHE A 36 4.305 18.493 -17.160 1.00 0.00 C ATOM 583 CE2 PHE A 36 4.898 20.354 -18.538 1.00 0.00 C ATOM 584 CZ PHE A 36 4.859 19.750 -17.297 1.00 0.00 C ATOM 0 H PHE A 36 5.373 17.331 -22.711 1.00 0.00 H new ATOM 0 HA PHE A 36 4.374 15.922 -20.352 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.140 18.445 -21.526 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.271 17.347 -20.471 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.356 16.860 -18.151 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.411 20.177 -20.608 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.275 18.018 -16.190 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.333 21.337 -18.648 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.261 20.260 -16.434 1.00 0.00 H new ATOM 594 N GLU A 37 3.424 14.433 -22.071 1.00 0.00 N ATOM 595 CA GLU A 37 2.734 13.529 -22.984 1.00 0.00 C ATOM 596 C GLU A 37 1.337 13.217 -22.463 1.00 0.00 C ATOM 597 O GLU A 37 1.154 12.323 -21.637 1.00 0.00 O ATOM 598 CB GLU A 37 3.533 12.236 -23.158 1.00 0.00 C ATOM 599 CG GLU A 37 4.192 12.109 -24.521 1.00 0.00 C ATOM 600 CD GLU A 37 3.484 11.113 -25.419 1.00 0.00 C ATOM 601 OE1 GLU A 37 2.775 10.233 -24.886 1.00 0.00 O ATOM 602 OE2 GLU A 37 3.638 11.212 -26.654 1.00 0.00 O ATOM 0 H GLU A 37 3.926 13.966 -21.315 1.00 0.00 H new ATOM 0 HA GLU A 37 2.645 14.018 -23.954 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.301 12.186 -22.386 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.870 11.385 -23.003 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.206 13.085 -25.006 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.230 11.803 -24.392 1.00 0.00 H new ATOM 609 N ILE A 38 0.358 13.968 -22.950 1.00 0.00 N ATOM 610 CA ILE A 38 -1.025 13.788 -22.541 1.00 0.00 C ATOM 611 C ILE A 38 -1.697 12.697 -23.369 1.00 0.00 C ATOM 612 O ILE A 38 -1.329 12.457 -24.517 1.00 0.00 O ATOM 613 CB ILE A 38 -1.813 15.114 -22.677 1.00 0.00 C ATOM 614 CG1 ILE A 38 -1.284 16.145 -21.678 1.00 0.00 C ATOM 615 CG2 ILE A 38 -3.306 14.894 -22.467 1.00 0.00 C ATOM 616 CD1 ILE A 38 0.102 16.656 -22.005 1.00 0.00 C ATOM 0 H ILE A 38 0.500 14.712 -23.633 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.028 13.484 -21.494 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.669 15.491 -23.690 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.973 16.989 -21.642 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.272 15.700 -20.683 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.832 15.843 -22.569 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.679 14.191 -23.212 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.477 14.490 -21.469 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.409 17.383 -21.253 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.805 15.823 -22.012 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.093 17.131 -22.986 1.00 0.00 H new ATOM 628 N GLN A 39 -2.683 12.041 -22.774 1.00 0.00 N ATOM 629 CA GLN A 39 -3.414 10.976 -23.449 1.00 0.00 C ATOM 630 C GLN A 39 -4.754 10.748 -22.752 1.00 0.00 C ATOM 631 O GLN A 39 -4.798 10.307 -21.604 1.00 0.00 O ATOM 632 CB GLN A 39 -2.552 9.697 -23.485 1.00 0.00 C ATOM 633 CG GLN A 39 -3.324 8.390 -23.407 1.00 0.00 C ATOM 634 CD GLN A 39 -2.571 7.225 -24.024 1.00 0.00 C ATOM 635 OE1 GLN A 39 -3.133 6.435 -24.782 1.00 0.00 O ATOM 636 NE2 GLN A 39 -1.288 7.112 -23.699 1.00 0.00 N ATOM 0 H GLN A 39 -2.997 12.228 -21.822 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.625 11.261 -24.480 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.966 9.699 -24.404 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.845 9.732 -22.656 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.542 8.164 -22.363 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.281 8.508 -23.915 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.861 7.789 -23.067 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.730 6.348 -24.082 1.00 0.00 H new ATOM 645 N TYR A 40 -5.841 11.070 -23.446 1.00 0.00 N ATOM 646 CA TYR A 40 -7.176 10.918 -22.880 1.00 0.00 C ATOM 647 C TYR A 40 -8.013 9.904 -23.649 1.00 0.00 C ATOM 648 O TYR A 40 -8.313 10.090 -24.828 1.00 0.00 O ATOM 649 CB TYR A 40 -7.893 12.271 -22.847 1.00 0.00 C ATOM 650 CG TYR A 40 -7.648 13.127 -24.070 1.00 0.00 C ATOM 651 CD1 TYR A 40 -6.429 13.764 -24.264 1.00 0.00 C ATOM 652 CD2 TYR A 40 -8.639 13.301 -25.030 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.204 14.550 -25.378 1.00 0.00 C ATOM 654 CE2 TYR A 40 -8.421 14.084 -26.146 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.202 14.705 -26.316 1.00 0.00 C ATOM 656 OH TYR A 40 -6.981 15.486 -27.427 1.00 0.00 O ATOM 0 H TYR A 40 -5.824 11.436 -24.398 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.057 10.543 -21.864 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -8.965 12.100 -22.744 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.571 12.820 -21.962 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.644 13.643 -23.532 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.595 12.816 -24.900 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.251 15.040 -25.513 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.201 14.209 -26.882 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.784 15.490 -27.989 1.00 0.00 H new ATOM 666 N ARG A 41 -8.401 8.835 -22.959 1.00 0.00 N ATOM 667 CA ARG A 41 -9.222 7.790 -23.551 1.00 0.00 C ATOM 668 C ARG A 41 -10.627 7.847 -22.967 1.00 0.00 C ATOM 669 O ARG A 41 -11.050 8.888 -22.462 1.00 0.00 O ATOM 670 CB ARG A 41 -8.594 6.410 -23.319 1.00 0.00 C ATOM 671 CG ARG A 41 -8.714 5.902 -21.891 1.00 0.00 C ATOM 672 CD ARG A 41 -9.157 4.449 -21.856 1.00 0.00 C ATOM 673 NE ARG A 41 -9.149 3.906 -20.501 1.00 0.00 N ATOM 674 CZ ARG A 41 -9.285 2.613 -20.223 1.00 0.00 C ATOM 675 NH1 ARG A 41 -9.439 1.735 -21.204 1.00 0.00 N ATOM 676 NH2 ARG A 41 -9.267 2.199 -18.964 1.00 0.00 N ATOM 0 H ARG A 41 -8.156 8.672 -21.982 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.280 7.955 -24.627 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.066 5.691 -23.989 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.539 6.453 -23.590 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.754 6.004 -21.385 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.430 6.516 -21.344 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.160 4.366 -22.274 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.498 3.854 -22.489 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.032 4.556 -19.723 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.453 2.051 -22.174 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.543 0.743 -20.989 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.149 2.873 -18.207 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.371 1.207 -18.752 1.00 0.00 H new ATOM 690 N LYS A 42 -11.356 6.741 -23.032 1.00 0.00 N ATOM 691 CA LYS A 42 -12.712 6.715 -22.501 1.00 0.00 C ATOM 692 C LYS A 42 -13.030 5.394 -21.814 1.00 0.00 C ATOM 693 O LYS A 42 -12.328 4.398 -21.992 1.00 0.00 O ATOM 694 CB LYS A 42 -13.715 6.978 -23.616 1.00 0.00 C ATOM 695 CG LYS A 42 -13.238 8.030 -24.587 1.00 0.00 C ATOM 696 CD LYS A 42 -14.311 8.390 -25.595 1.00 0.00 C ATOM 697 CE LYS A 42 -13.690 8.819 -26.905 1.00 0.00 C ATOM 698 NZ LYS A 42 -13.669 7.712 -27.899 1.00 0.00 N ATOM 0 H LYS A 42 -11.038 5.862 -23.441 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.786 7.502 -21.750 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.905 6.050 -24.155 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.663 7.294 -23.180 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.940 8.923 -24.038 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.353 7.668 -25.111 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.965 7.533 -25.760 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.933 9.194 -25.201 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.248 9.662 -27.312 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.672 9.167 -26.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.236 8.047 -28.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.115 6.917 -27.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.642 7.397 -28.088 1.00 0.00 H new ATOM 712 N ASP A 43 -14.100 5.399 -21.029 1.00 0.00 N ATOM 713 CA ASP A 43 -14.538 4.212 -20.308 1.00 0.00 C ATOM 714 C ASP A 43 -15.202 3.208 -21.257 1.00 0.00 C ATOM 715 O ASP A 43 -15.422 2.053 -20.891 1.00 0.00 O ATOM 716 CB ASP A 43 -15.505 4.622 -19.188 1.00 0.00 C ATOM 717 CG ASP A 43 -16.311 3.462 -18.627 1.00 0.00 C ATOM 718 OD1 ASP A 43 -17.257 3.013 -19.306 1.00 0.00 O ATOM 719 OD2 ASP A 43 -15.997 3.008 -17.506 1.00 0.00 O ATOM 0 H ASP A 43 -14.685 6.220 -20.875 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.668 3.724 -19.869 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -14.938 5.084 -18.380 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -16.190 5.379 -19.570 1.00 0.00 H new ATOM 724 N THR A 44 -15.520 3.649 -22.473 1.00 0.00 N ATOM 725 CA THR A 44 -16.155 2.778 -23.455 1.00 0.00 C ATOM 726 C THR A 44 -15.165 2.385 -24.545 1.00 0.00 C ATOM 727 O THR A 44 -15.208 1.270 -25.066 1.00 0.00 O ATOM 728 CB THR A 44 -17.369 3.468 -24.078 1.00 0.00 C ATOM 729 OG1 THR A 44 -18.128 2.549 -24.845 1.00 0.00 O ATOM 730 CG2 THR A 44 -17.004 4.626 -24.980 1.00 0.00 C ATOM 0 H THR A 44 -15.348 4.600 -22.799 1.00 0.00 H new ATOM 0 HA THR A 44 -16.487 1.875 -22.942 1.00 0.00 H new ATOM 0 HB THR A 44 -17.945 3.853 -23.237 1.00 0.00 H new ATOM 0 HG1 THR A 44 -18.901 3.008 -25.234 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.912 5.070 -25.388 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.460 5.376 -24.407 1.00 0.00 H new ATOM 0 HG23 THR A 44 -16.377 4.268 -25.796 1.00 0.00 H new ATOM 738 N ALA A 45 -14.275 3.309 -24.884 1.00 0.00 N ATOM 739 CA ALA A 45 -13.271 3.064 -25.911 1.00 0.00 C ATOM 740 C ALA A 45 -12.014 2.446 -25.311 1.00 0.00 C ATOM 741 O ALA A 45 -12.041 1.908 -24.204 1.00 0.00 O ATOM 742 CB ALA A 45 -12.934 4.357 -26.636 1.00 0.00 C ATOM 0 H ALA A 45 -14.228 4.236 -24.462 1.00 0.00 H new ATOM 0 HA ALA A 45 -13.684 2.356 -26.629 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.183 4.160 -27.401 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.833 4.756 -27.105 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.544 5.083 -25.923 1.00 0.00 H new ATOM 748 N THR A 46 -10.912 2.527 -26.049 1.00 0.00 N ATOM 749 CA THR A 46 -9.644 1.976 -25.590 1.00 0.00 C ATOM 750 C THR A 46 -8.543 3.031 -25.644 1.00 0.00 C ATOM 751 O THR A 46 -8.633 3.999 -26.401 1.00 0.00 O ATOM 752 CB THR A 46 -9.252 0.768 -26.440 1.00 0.00 C ATOM 753 OG1 THR A 46 -9.336 1.077 -27.820 1.00 0.00 O ATOM 754 CG2 THR A 46 -10.119 -0.449 -26.190 1.00 0.00 C ATOM 0 H THR A 46 -10.872 2.969 -26.967 1.00 0.00 H new ATOM 0 HA THR A 46 -9.767 1.657 -24.555 1.00 0.00 H new ATOM 0 HB THR A 46 -8.229 0.531 -26.149 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.080 0.292 -28.347 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.786 -1.270 -26.826 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.038 -0.745 -25.144 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.157 -0.210 -26.420 1.00 0.00 H new ATOM 762 N TRP A 47 -7.505 2.838 -24.838 1.00 0.00 N ATOM 763 CA TRP A 47 -6.387 3.772 -24.795 1.00 0.00 C ATOM 764 C TRP A 47 -5.766 3.943 -26.178 1.00 0.00 C ATOM 765 O TRP A 47 -5.176 4.979 -26.482 1.00 0.00 O ATOM 766 CB TRP A 47 -5.326 3.285 -23.804 1.00 0.00 C ATOM 767 CG TRP A 47 -5.712 3.497 -22.371 1.00 0.00 C ATOM 768 CD1 TRP A 47 -6.180 2.555 -21.500 1.00 0.00 C ATOM 769 CD2 TRP A 47 -5.666 4.729 -21.643 1.00 0.00 C ATOM 770 NE1 TRP A 47 -6.428 3.126 -20.275 1.00 0.00 N ATOM 771 CE2 TRP A 47 -6.120 4.461 -20.337 1.00 0.00 C ATOM 772 CE3 TRP A 47 -5.284 6.034 -21.967 1.00 0.00 C ATOM 773 CZ2 TRP A 47 -6.201 5.447 -19.358 1.00 0.00 C ATOM 774 CZ3 TRP A 47 -5.365 7.013 -20.994 1.00 0.00 C ATOM 775 CH2 TRP A 47 -5.820 6.715 -19.704 1.00 0.00 C ATOM 0 H TRP A 47 -7.415 2.043 -24.206 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.767 4.739 -24.465 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -5.143 2.223 -23.971 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -4.388 3.805 -24.001 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.333 1.513 -21.739 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.783 2.637 -19.454 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.932 6.273 -22.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.552 5.220 -18.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.072 8.025 -21.233 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.871 7.502 -18.966 1.00 0.00 H new ATOM 786 N LYS A 48 -5.903 2.916 -27.013 1.00 0.00 N ATOM 787 CA LYS A 48 -5.357 2.951 -28.365 1.00 0.00 C ATOM 788 C LYS A 48 -5.964 4.096 -29.168 1.00 0.00 C ATOM 789 O LYS A 48 -5.274 4.763 -29.939 1.00 0.00 O ATOM 790 CB LYS A 48 -5.618 1.621 -29.075 1.00 0.00 C ATOM 791 CG LYS A 48 -4.394 0.723 -29.151 1.00 0.00 C ATOM 792 CD LYS A 48 -3.493 1.109 -30.314 1.00 0.00 C ATOM 793 CE LYS A 48 -3.662 0.160 -31.488 1.00 0.00 C ATOM 794 NZ LYS A 48 -2.755 -1.016 -31.384 1.00 0.00 N ATOM 0 H LYS A 48 -6.387 2.050 -26.776 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.282 3.113 -28.292 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.416 1.091 -28.555 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.975 1.822 -30.085 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.834 0.789 -28.218 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.709 -0.315 -29.262 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.722 2.126 -30.631 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.453 1.104 -29.987 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.696 -0.182 -31.533 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.461 0.693 -32.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.900 -1.640 -32.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.767 -0.692 -31.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.963 -1.539 -30.510 1.00 0.00 H new ATOM 808 N ASP A 49 -7.259 4.319 -28.979 1.00 0.00 N ATOM 809 CA ASP A 49 -7.964 5.385 -29.683 1.00 0.00 C ATOM 810 C ASP A 49 -7.717 6.735 -29.016 1.00 0.00 C ATOM 811 O ASP A 49 -7.857 7.784 -29.644 1.00 0.00 O ATOM 812 CB ASP A 49 -9.465 5.091 -29.721 1.00 0.00 C ATOM 813 CG ASP A 49 -10.079 5.402 -31.071 1.00 0.00 C ATOM 814 OD1 ASP A 49 -9.355 5.316 -32.085 1.00 0.00 O ATOM 815 OD2 ASP A 49 -11.282 5.733 -31.114 1.00 0.00 O ATOM 0 H ASP A 49 -7.843 3.776 -28.344 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.581 5.428 -30.703 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.633 4.041 -29.481 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.967 5.678 -28.952 1.00 0.00 H new ATOM 820 N SER A 50 -7.351 6.698 -27.738 1.00 0.00 N ATOM 821 CA SER A 50 -7.085 7.914 -26.978 1.00 0.00 C ATOM 822 C SER A 50 -6.180 8.867 -27.755 1.00 0.00 C ATOM 823 O SER A 50 -5.155 8.460 -28.301 1.00 0.00 O ATOM 824 CB SER A 50 -6.435 7.561 -25.640 1.00 0.00 C ATOM 825 OG SER A 50 -5.023 7.569 -25.741 1.00 0.00 O ATOM 0 H SER A 50 -7.232 5.836 -27.206 1.00 0.00 H new ATOM 0 HA SER A 50 -8.037 8.416 -26.802 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.752 8.274 -24.879 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.774 6.577 -25.316 1.00 0.00 H new ATOM 0 HG SER A 50 -4.673 6.686 -25.500 1.00 0.00 H new ATOM 831 N LYS A 51 -6.565 10.136 -27.795 1.00 0.00 N ATOM 832 CA LYS A 51 -5.793 11.149 -28.499 1.00 0.00 C ATOM 833 C LYS A 51 -4.636 11.650 -27.648 1.00 0.00 C ATOM 834 O LYS A 51 -4.784 12.588 -26.863 1.00 0.00 O ATOM 835 CB LYS A 51 -6.693 12.315 -28.888 1.00 0.00 C ATOM 836 CG LYS A 51 -6.744 12.567 -30.381 1.00 0.00 C ATOM 837 CD LYS A 51 -5.983 13.829 -30.752 1.00 0.00 C ATOM 838 CE LYS A 51 -6.408 14.362 -32.110 1.00 0.00 C ATOM 839 NZ LYS A 51 -5.267 14.966 -32.851 1.00 0.00 N ATOM 0 H LYS A 51 -7.411 10.488 -27.346 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.381 10.693 -29.399 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.703 12.121 -28.526 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.342 13.217 -28.387 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.320 11.714 -30.911 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.782 12.657 -30.702 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.152 14.592 -29.992 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.913 13.620 -30.762 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.836 13.552 -32.700 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.191 15.109 -31.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.598 15.318 -33.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.874 15.756 -32.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.530 14.247 -33.000 1.00 0.00 H new ATOM 853 N THR A 52 -3.482 11.028 -27.824 1.00 0.00 N ATOM 854 CA THR A 52 -2.283 11.411 -27.089 1.00 0.00 C ATOM 855 C THR A 52 -1.821 12.799 -27.523 1.00 0.00 C ATOM 856 O THR A 52 -1.438 13.003 -28.676 1.00 0.00 O ATOM 857 CB THR A 52 -1.169 10.392 -27.327 1.00 0.00 C ATOM 858 OG1 THR A 52 -1.680 9.071 -27.287 1.00 0.00 O ATOM 859 CG2 THR A 52 -0.046 10.482 -26.313 1.00 0.00 C ATOM 0 H THR A 52 -3.348 10.252 -28.472 1.00 0.00 H new ATOM 0 HA THR A 52 -2.519 11.433 -26.025 1.00 0.00 H new ATOM 0 HB THR A 52 -0.767 10.630 -28.312 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.952 8.434 -27.443 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.711 9.731 -26.541 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.403 11.474 -26.355 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.443 10.305 -25.313 1.00 0.00 H new ATOM 867 N GLU A 53 -1.859 13.749 -26.597 1.00 0.00 N ATOM 868 CA GLU A 53 -1.444 15.114 -26.887 1.00 0.00 C ATOM 869 C GLU A 53 -0.056 15.378 -26.329 1.00 0.00 C ATOM 870 O GLU A 53 0.201 15.169 -25.147 1.00 0.00 O ATOM 871 CB GLU A 53 -2.440 16.110 -26.298 1.00 0.00 C ATOM 872 CG GLU A 53 -3.236 16.874 -27.345 1.00 0.00 C ATOM 873 CD GLU A 53 -2.367 17.794 -28.180 1.00 0.00 C ATOM 874 OE1 GLU A 53 -1.131 17.766 -28.004 1.00 0.00 O ATOM 875 OE2 GLU A 53 -2.924 18.543 -29.011 1.00 0.00 O ATOM 0 H GLU A 53 -2.173 13.598 -25.638 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.417 15.241 -27.969 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.132 15.576 -25.647 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.901 16.822 -25.674 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.743 16.165 -28.000 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.010 17.461 -26.851 1.00 0.00 H new ATOM 882 N THR A 54 0.835 15.835 -27.191 1.00 0.00 N ATOM 883 CA THR A 54 2.202 16.124 -26.788 1.00 0.00 C ATOM 884 C THR A 54 2.381 17.606 -26.489 1.00 0.00 C ATOM 885 O THR A 54 2.718 18.395 -27.372 1.00 0.00 O ATOM 886 CB THR A 54 3.176 15.680 -27.876 1.00 0.00 C ATOM 887 OG1 THR A 54 2.531 15.633 -29.137 1.00 0.00 O ATOM 888 CG2 THR A 54 3.774 14.314 -27.616 1.00 0.00 C ATOM 0 H THR A 54 0.637 16.014 -28.175 1.00 0.00 H new ATOM 0 HA THR A 54 2.414 15.567 -25.875 1.00 0.00 H new ATOM 0 HB THR A 54 3.977 16.419 -27.870 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.172 15.348 -29.822 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.457 14.056 -28.425 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.318 14.329 -26.672 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.977 13.572 -27.564 1.00 0.00 H new ATOM 896 N LEU A 55 2.151 17.976 -25.233 1.00 0.00 N ATOM 897 CA LEU A 55 2.284 19.363 -24.805 1.00 0.00 C ATOM 898 C LEU A 55 3.720 19.667 -24.391 1.00 0.00 C ATOM 899 O LEU A 55 4.265 19.031 -23.488 1.00 0.00 O ATOM 900 CB LEU A 55 1.329 19.648 -23.642 1.00 0.00 C ATOM 901 CG LEU A 55 -0.088 20.055 -24.052 1.00 0.00 C ATOM 902 CD1 LEU A 55 -1.101 19.056 -23.520 1.00 0.00 C ATOM 903 CD2 LEU A 55 -0.408 21.457 -23.555 1.00 0.00 C ATOM 0 H LEU A 55 1.871 17.332 -24.493 1.00 0.00 H new ATOM 0 HA LEU A 55 2.026 20.008 -25.645 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.268 18.758 -23.016 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.755 20.441 -23.028 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.144 20.058 -25.141 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.104 19.360 -23.820 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.885 18.068 -23.925 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.042 19.023 -22.432 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.420 21.728 -23.857 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.334 21.483 -22.468 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.300 22.166 -23.984 1.00 0.00 H new ATOM 915 N GLN A 56 4.329 20.640 -25.061 1.00 0.00 N ATOM 916 CA GLN A 56 5.704 21.028 -24.767 1.00 0.00 C ATOM 917 C GLN A 56 5.748 22.369 -24.039 1.00 0.00 C ATOM 918 O GLN A 56 5.282 23.383 -24.558 1.00 0.00 O ATOM 919 CB GLN A 56 6.520 21.108 -26.058 1.00 0.00 C ATOM 920 CG GLN A 56 7.507 19.965 -26.229 1.00 0.00 C ATOM 921 CD GLN A 56 8.846 20.430 -26.764 1.00 0.00 C ATOM 922 OE1 GLN A 56 8.953 20.864 -27.910 1.00 0.00 O ATOM 923 NE2 GLN A 56 9.879 20.339 -25.934 1.00 0.00 N ATOM 0 H GLN A 56 3.892 21.175 -25.812 1.00 0.00 H new ATOM 0 HA GLN A 56 6.139 20.268 -24.117 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.838 21.118 -26.908 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.064 22.052 -26.075 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.655 19.470 -25.269 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.086 19.224 -26.908 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.745 19.973 -24.991 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.806 20.635 -26.239 1.00 0.00 H new ATOM 932 N ASN A 57 6.308 22.365 -22.833 1.00 0.00 N ATOM 933 CA ASN A 57 6.408 23.582 -22.033 1.00 0.00 C ATOM 934 C ASN A 57 5.024 24.127 -21.700 1.00 0.00 C ATOM 935 O ASN A 57 4.777 25.327 -21.805 1.00 0.00 O ATOM 936 CB ASN A 57 7.215 24.648 -22.778 1.00 0.00 C ATOM 937 CG ASN A 57 8.381 24.063 -23.548 1.00 0.00 C ATOM 938 OD1 ASN A 57 8.663 24.471 -24.675 1.00 0.00 O ATOM 939 ND2 ASN A 57 9.068 23.101 -22.944 1.00 0.00 N ATOM 0 H ASN A 57 6.699 21.534 -22.389 1.00 0.00 H new ATOM 0 HA ASN A 57 6.919 23.331 -21.104 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.559 25.179 -23.467 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.588 25.382 -22.063 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.864 22.670 -23.415 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.800 22.793 -22.009 1.00 0.00 H new ATOM 946 N ALA A 58 4.124 23.236 -21.300 1.00 0.00 N ATOM 947 CA ALA A 58 2.764 23.628 -20.955 1.00 0.00 C ATOM 948 C ALA A 58 2.329 22.983 -19.645 1.00 0.00 C ATOM 949 O ALA A 58 2.914 21.994 -19.209 1.00 0.00 O ATOM 950 CB ALA A 58 1.808 23.249 -22.075 1.00 0.00 C ATOM 0 H ALA A 58 4.312 22.238 -21.207 1.00 0.00 H new ATOM 0 HA ALA A 58 2.742 24.710 -20.824 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.795 23.547 -21.805 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.103 23.757 -22.993 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.839 22.171 -22.231 1.00 0.00 H new ATOM 956 N HIS A 59 1.304 23.547 -19.019 1.00 0.00 N ATOM 957 CA HIS A 59 0.806 23.016 -17.757 1.00 0.00 C ATOM 958 C HIS A 59 -0.650 22.567 -17.869 1.00 0.00 C ATOM 959 O HIS A 59 -1.146 21.845 -17.009 1.00 0.00 O ATOM 960 CB HIS A 59 0.962 24.057 -16.649 1.00 0.00 C ATOM 961 CG HIS A 59 2.326 24.051 -16.030 1.00 0.00 C ATOM 962 ND1 HIS A 59 2.667 24.822 -14.938 1.00 0.00 N ATOM 963 CD2 HIS A 59 3.440 23.354 -16.358 1.00 0.00 C ATOM 964 CE1 HIS A 59 3.931 24.597 -14.621 1.00 0.00 C ATOM 965 NE2 HIS A 59 4.421 23.712 -15.467 1.00 0.00 N ATOM 0 H HIS A 59 0.804 24.367 -19.362 1.00 0.00 H new ATOM 0 HA HIS A 59 1.401 22.138 -17.506 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.758 25.047 -17.057 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.217 23.871 -15.875 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.538 22.648 -17.169 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.470 25.059 -13.808 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.375 23.352 -15.460 1.00 0.00 H new ATOM 974 N SER A 60 -1.328 22.984 -18.934 1.00 0.00 N ATOM 975 CA SER A 60 -2.721 22.605 -19.144 1.00 0.00 C ATOM 976 C SER A 60 -3.113 22.788 -20.603 1.00 0.00 C ATOM 977 O SER A 60 -2.420 23.465 -21.362 1.00 0.00 O ATOM 978 CB SER A 60 -3.645 23.430 -18.247 1.00 0.00 C ATOM 979 OG SER A 60 -3.511 24.815 -18.514 1.00 0.00 O ATOM 0 H SER A 60 -0.937 23.582 -19.662 1.00 0.00 H new ATOM 0 HA SER A 60 -2.828 21.552 -18.883 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.679 23.124 -18.406 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.411 23.234 -17.201 1.00 0.00 H new ATOM 0 HG SER A 60 -4.113 25.321 -17.929 1.00 0.00 H new ATOM 985 N MET A 61 -4.226 22.177 -20.997 1.00 0.00 N ATOM 986 CA MET A 61 -4.695 22.275 -22.369 1.00 0.00 C ATOM 987 C MET A 61 -6.202 22.505 -22.411 1.00 0.00 C ATOM 988 O MET A 61 -6.802 22.946 -21.430 1.00 0.00 O ATOM 989 CB MET A 61 -4.333 21.004 -23.137 1.00 0.00 C ATOM 990 CG MET A 61 -5.173 19.797 -22.748 1.00 0.00 C ATOM 991 SD MET A 61 -4.483 18.245 -23.353 1.00 0.00 S ATOM 992 CE MET A 61 -5.918 17.176 -23.248 1.00 0.00 C ATOM 0 H MET A 61 -4.816 21.612 -20.386 1.00 0.00 H new ATOM 0 HA MET A 61 -4.207 23.128 -22.841 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.450 21.189 -24.205 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.281 20.774 -22.967 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.258 19.753 -21.662 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.182 19.919 -23.142 1.00 0.00 H new ATOM 0 HE1 MET A 61 -5.594 16.144 -23.114 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.534 17.476 -22.400 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.500 17.257 -24.166 1.00 0.00 H new ATOM 1002 N ALA A 62 -6.809 22.195 -23.550 1.00 0.00 N ATOM 1003 CA ALA A 62 -8.242 22.357 -23.720 1.00 0.00 C ATOM 1004 C ALA A 62 -8.810 21.196 -24.524 1.00 0.00 C ATOM 1005 O ALA A 62 -9.014 21.315 -25.733 1.00 0.00 O ATOM 1006 CB ALA A 62 -8.549 23.680 -24.406 1.00 0.00 C ATOM 0 H ALA A 62 -6.326 21.829 -24.371 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.712 22.362 -22.737 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.627 23.786 -24.526 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.169 24.502 -23.799 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.071 23.701 -25.385 1.00 0.00 H new ATOM 1012 N LEU A 63 -9.047 20.069 -23.843 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.581 18.857 -24.484 1.00 0.00 C ATOM 1014 C LEU A 63 -10.554 19.199 -25.617 1.00 0.00 C ATOM 1015 O LEU A 63 -11.717 19.518 -25.373 1.00 0.00 O ATOM 1016 CB LEU A 63 -10.283 17.972 -23.452 1.00 0.00 C ATOM 1017 CG LEU A 63 -9.360 17.342 -22.407 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -10.124 17.064 -21.122 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -8.736 16.065 -22.947 1.00 0.00 C ATOM 0 H LEU A 63 -8.877 19.969 -22.842 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.737 18.316 -24.912 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.037 18.568 -22.937 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.810 17.175 -23.977 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.558 18.046 -22.184 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.453 16.616 -20.389 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.522 17.998 -20.726 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.946 16.378 -21.328 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.083 15.631 -22.190 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.523 15.354 -23.198 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.155 16.294 -23.840 1.00 0.00 H new ATOM 1031 N PRO A 64 -10.075 19.158 -26.873 1.00 0.00 N ATOM 1032 CA PRO A 64 -10.894 19.490 -28.037 1.00 0.00 C ATOM 1033 C PRO A 64 -11.896 18.400 -28.413 1.00 0.00 C ATOM 1034 O PRO A 64 -13.100 18.560 -28.212 1.00 0.00 O ATOM 1035 CB PRO A 64 -9.871 19.687 -29.157 1.00 0.00 C ATOM 1036 CG PRO A 64 -8.658 18.920 -28.744 1.00 0.00 C ATOM 1037 CD PRO A 64 -8.688 18.811 -27.242 1.00 0.00 C ATOM 0 HA PRO A 64 -11.512 20.366 -27.841 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.258 19.322 -30.108 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.638 20.743 -29.292 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.655 17.931 -29.201 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -7.752 19.427 -29.075 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.430 17.805 -26.912 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.973 19.492 -26.780 1.00 0.00 H new ATOM 1045 N ALA A 65 -11.401 17.308 -28.984 1.00 0.00 N ATOM 1046 CA ALA A 65 -12.266 16.216 -29.414 1.00 0.00 C ATOM 1047 C ALA A 65 -12.476 15.172 -28.325 1.00 0.00 C ATOM 1048 O ALA A 65 -11.594 14.360 -28.047 1.00 0.00 O ATOM 1049 CB ALA A 65 -11.698 15.561 -30.664 1.00 0.00 C ATOM 0 H ALA A 65 -10.408 17.155 -29.160 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.242 16.648 -29.636 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.351 14.747 -30.977 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.630 16.299 -31.463 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.705 15.167 -30.449 1.00 0.00 H new ATOM 1055 N LEU A 66 -13.667 15.178 -27.734 1.00 0.00 N ATOM 1056 CA LEU A 66 -14.016 14.212 -26.702 1.00 0.00 C ATOM 1057 C LEU A 66 -15.317 13.503 -27.093 1.00 0.00 C ATOM 1058 O LEU A 66 -15.595 13.339 -28.281 1.00 0.00 O ATOM 1059 CB LEU A 66 -14.146 14.889 -25.330 1.00 0.00 C ATOM 1060 CG LEU A 66 -12.940 15.726 -24.880 1.00 0.00 C ATOM 1061 CD1 LEU A 66 -12.955 15.899 -23.367 1.00 0.00 C ATOM 1062 CD2 LEU A 66 -11.630 15.088 -25.324 1.00 0.00 C ATOM 0 H LEU A 66 -14.408 15.844 -27.954 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.218 13.474 -26.621 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.025 15.533 -25.346 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.329 14.118 -24.581 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.015 16.706 -25.351 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.095 16.494 -23.060 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.872 16.406 -23.068 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.908 14.921 -22.888 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.794 15.703 -24.991 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.544 14.093 -24.888 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.613 15.011 -26.411 1.00 0.00 H new ATOM 1074 N GLU A 67 -16.118 13.085 -26.113 1.00 0.00 N ATOM 1075 CA GLU A 67 -17.373 12.405 -26.412 1.00 0.00 C ATOM 1076 C GLU A 67 -18.403 12.638 -25.309 1.00 0.00 C ATOM 1077 O GLU A 67 -18.070 12.624 -24.125 1.00 0.00 O ATOM 1078 CB GLU A 67 -17.135 10.905 -26.597 1.00 0.00 C ATOM 1079 CG GLU A 67 -16.946 10.492 -28.047 1.00 0.00 C ATOM 1080 CD GLU A 67 -18.059 9.593 -28.546 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -18.605 8.816 -27.733 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -18.385 9.665 -29.749 1.00 0.00 O ATOM 0 H GLU A 67 -15.922 13.204 -25.119 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.766 12.821 -27.340 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.253 10.613 -26.027 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.980 10.358 -26.179 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.897 11.384 -28.672 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.992 9.976 -28.153 1.00 0.00 H new ATOM 1089 N PRO A 68 -19.677 12.854 -25.687 1.00 0.00 N ATOM 1090 CA PRO A 68 -20.754 13.088 -24.726 1.00 0.00 C ATOM 1091 C PRO A 68 -21.240 11.797 -24.077 1.00 0.00 C ATOM 1092 O PRO A 68 -21.128 10.717 -24.657 1.00 0.00 O ATOM 1093 CB PRO A 68 -21.857 13.701 -25.584 1.00 0.00 C ATOM 1094 CG PRO A 68 -21.644 13.126 -26.941 1.00 0.00 C ATOM 1095 CD PRO A 68 -20.162 12.887 -27.080 1.00 0.00 C ATOM 0 HA PRO A 68 -20.435 13.720 -23.897 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -22.845 13.450 -25.198 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -21.788 14.789 -25.600 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.199 12.195 -27.059 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -22.000 13.810 -27.712 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -19.955 11.950 -27.598 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -19.681 13.680 -27.652 1.00 0.00 H new ATOM 1103 N SER A 69 -21.780 11.915 -22.868 1.00 0.00 N ATOM 1104 CA SER A 69 -22.285 10.756 -22.138 1.00 0.00 C ATOM 1105 C SER A 69 -21.248 9.637 -22.105 1.00 0.00 C ATOM 1106 O SER A 69 -21.595 8.456 -22.084 1.00 0.00 O ATOM 1107 CB SER A 69 -23.579 10.250 -22.776 1.00 0.00 C ATOM 1108 OG SER A 69 -23.390 9.943 -24.147 1.00 0.00 O ATOM 0 H SER A 69 -21.879 12.801 -22.373 1.00 0.00 H new ATOM 0 HA SER A 69 -22.490 11.065 -21.113 1.00 0.00 H new ATOM 0 HB2 SER A 69 -23.925 9.362 -22.247 1.00 0.00 H new ATOM 0 HB3 SER A 69 -24.357 11.006 -22.674 1.00 0.00 H new ATOM 0 HG SER A 69 -22.437 9.798 -24.321 1.00 0.00 H new ATOM 1114 N THR A 70 -19.975 10.018 -22.099 1.00 0.00 N ATOM 1115 CA THR A 70 -18.887 9.048 -22.067 1.00 0.00 C ATOM 1116 C THR A 70 -17.813 9.475 -21.073 1.00 0.00 C ATOM 1117 O THR A 70 -17.481 10.656 -20.972 1.00 0.00 O ATOM 1118 CB THR A 70 -18.273 8.889 -23.461 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.210 8.318 -24.357 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.031 8.019 -23.482 1.00 0.00 C ATOM 0 H THR A 70 -19.672 10.992 -22.116 1.00 0.00 H new ATOM 0 HA THR A 70 -19.296 8.089 -21.748 1.00 0.00 H new ATOM 0 HB THR A 70 -17.992 9.897 -23.766 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.910 8.973 -24.559 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.651 7.951 -24.501 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.268 8.458 -22.839 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.280 7.021 -23.121 1.00 0.00 H new ATOM 1128 N ARG A 71 -17.265 8.506 -20.350 1.00 0.00 N ATOM 1129 CA ARG A 71 -16.219 8.787 -19.377 1.00 0.00 C ATOM 1130 C ARG A 71 -14.884 8.946 -20.089 1.00 0.00 C ATOM 1131 O ARG A 71 -14.684 8.399 -21.173 1.00 0.00 O ATOM 1132 CB ARG A 71 -16.137 7.667 -18.339 1.00 0.00 C ATOM 1133 CG ARG A 71 -16.508 8.109 -16.934 1.00 0.00 C ATOM 1134 CD ARG A 71 -16.336 6.978 -15.931 1.00 0.00 C ATOM 1135 NE ARG A 71 -17.049 5.770 -16.337 1.00 0.00 N ATOM 1136 CZ ARG A 71 -18.351 5.583 -16.144 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -19.079 6.523 -15.557 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -18.927 4.455 -16.538 1.00 0.00 N ATOM 0 H ARG A 71 -17.527 7.523 -20.419 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.460 9.716 -18.859 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.798 6.854 -18.641 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.123 7.267 -18.329 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.886 8.955 -16.641 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.542 8.454 -16.921 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.276 6.752 -15.819 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.698 7.301 -14.955 1.00 0.00 H new ATOM 0 HE ARG A 71 -16.519 5.028 -16.794 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -18.640 7.392 -15.252 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.078 6.377 -15.410 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.371 3.729 -16.990 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -19.926 4.313 -16.389 1.00 0.00 H new ATOM 1152 N TYR A 72 -13.977 9.706 -19.490 1.00 0.00 N ATOM 1153 CA TYR A 72 -12.673 9.938 -20.093 1.00 0.00 C ATOM 1154 C TYR A 72 -11.544 9.732 -19.095 1.00 0.00 C ATOM 1155 O TYR A 72 -11.510 10.360 -18.038 1.00 0.00 O ATOM 1156 CB TYR A 72 -12.603 11.348 -20.678 1.00 0.00 C ATOM 1157 CG TYR A 72 -12.867 11.382 -22.162 1.00 0.00 C ATOM 1158 CD1 TYR A 72 -14.151 11.213 -22.658 1.00 0.00 C ATOM 1159 CD2 TYR A 72 -11.832 11.567 -23.068 1.00 0.00 C ATOM 1160 CE1 TYR A 72 -14.397 11.230 -24.014 1.00 0.00 C ATOM 1161 CE2 TYR A 72 -12.069 11.583 -24.428 1.00 0.00 C ATOM 1162 CZ TYR A 72 -13.355 11.414 -24.896 1.00 0.00 C ATOM 1163 OH TYR A 72 -13.599 11.420 -26.250 1.00 0.00 O ATOM 0 H TYR A 72 -14.119 10.169 -18.593 1.00 0.00 H new ATOM 0 HA TYR A 72 -12.548 9.208 -20.893 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -13.329 11.983 -20.170 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.618 11.770 -20.480 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -14.971 11.066 -21.971 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.824 11.701 -22.703 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -15.403 11.100 -24.384 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -11.253 11.727 -25.121 1.00 0.00 H new ATOM 0 HH TYR A 72 -12.751 11.346 -26.736 1.00 0.00 H new ATOM 1173 N TRP A 73 -10.617 8.851 -19.453 1.00 0.00 N ATOM 1174 CA TRP A 73 -9.471 8.553 -18.608 1.00 0.00 C ATOM 1175 C TRP A 73 -8.204 9.156 -19.206 1.00 0.00 C ATOM 1176 O TRP A 73 -7.648 8.625 -20.167 1.00 0.00 O ATOM 1177 CB TRP A 73 -9.317 7.040 -18.449 1.00 0.00 C ATOM 1178 CG TRP A 73 -10.449 6.408 -17.698 1.00 0.00 C ATOM 1179 CD1 TRP A 73 -11.737 6.240 -18.129 1.00 0.00 C ATOM 1180 CD2 TRP A 73 -10.395 5.865 -16.374 1.00 0.00 C ATOM 1181 NE1 TRP A 73 -12.482 5.624 -17.152 1.00 0.00 N ATOM 1182 CE2 TRP A 73 -11.681 5.383 -16.067 1.00 0.00 C ATOM 1183 CE3 TRP A 73 -9.383 5.738 -15.420 1.00 0.00 C ATOM 1184 CZ2 TRP A 73 -11.980 4.785 -14.846 1.00 0.00 C ATOM 1185 CZ3 TRP A 73 -9.681 5.145 -14.208 1.00 0.00 C ATOM 1186 CH2 TRP A 73 -10.969 4.674 -13.930 1.00 0.00 C ATOM 0 H TRP A 73 -10.639 8.329 -20.329 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.634 8.994 -17.624 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.244 6.583 -19.436 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.382 6.829 -17.930 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -12.113 6.546 -19.094 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.471 5.385 -17.223 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.385 6.097 -15.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.974 4.422 -14.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -8.906 5.043 -13.462 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.169 4.214 -12.974 1.00 0.00 H new ATOM 1197 N ALA A 74 -7.764 10.280 -18.647 1.00 0.00 N ATOM 1198 CA ALA A 74 -6.575 10.961 -19.148 1.00 0.00 C ATOM 1199 C ALA A 74 -5.355 10.714 -18.270 1.00 0.00 C ATOM 1200 O ALA A 74 -5.471 10.456 -17.072 1.00 0.00 O ATOM 1201 CB ALA A 74 -6.840 12.455 -19.277 1.00 0.00 C ATOM 0 H ALA A 74 -8.210 10.736 -17.851 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.354 10.546 -20.131 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.945 12.952 -19.652 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.664 12.620 -19.971 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.100 12.864 -18.301 1.00 0.00 H new ATOM 1207 N ARG A 75 -4.183 10.805 -18.890 1.00 0.00 N ATOM 1208 CA ARG A 75 -2.917 10.605 -18.202 1.00 0.00 C ATOM 1209 C ARG A 75 -1.874 11.573 -18.753 1.00 0.00 C ATOM 1210 O ARG A 75 -2.118 12.240 -19.760 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.445 9.161 -18.377 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.565 8.652 -19.804 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.615 7.494 -20.063 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.322 6.251 -20.365 1.00 0.00 N ATOM 1215 CZ ARG A 75 -2.782 5.418 -19.436 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -2.648 5.711 -18.150 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -3.385 4.293 -19.794 1.00 0.00 N ATOM 0 H ARG A 75 -4.086 11.019 -19.883 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.054 10.798 -17.138 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.405 9.086 -18.059 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.026 8.515 -17.719 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.590 8.333 -19.993 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.351 9.463 -20.500 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.957 7.746 -20.895 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.981 7.345 -19.189 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.471 6.009 -21.344 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.191 6.578 -17.870 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.002 5.069 -17.441 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.496 4.066 -20.782 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.738 3.654 -19.081 1.00 0.00 H new ATOM 1231 N VAL A 76 -0.719 11.660 -18.099 1.00 0.00 N ATOM 1232 CA VAL A 76 0.327 12.567 -18.554 1.00 0.00 C ATOM 1233 C VAL A 76 1.711 12.153 -18.061 1.00 0.00 C ATOM 1234 O VAL A 76 1.894 11.830 -16.887 1.00 0.00 O ATOM 1235 CB VAL A 76 0.041 14.019 -18.104 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.349 14.211 -16.621 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.835 15.001 -18.951 1.00 0.00 C ATOM 0 H VAL A 76 -0.487 11.122 -17.264 1.00 0.00 H new ATOM 0 HA VAL A 76 0.322 12.514 -19.643 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.022 14.214 -18.248 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.138 15.242 -16.336 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.271 13.537 -16.030 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.401 13.992 -16.436 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.623 16.019 -18.623 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.900 14.798 -18.841 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.551 14.891 -19.998 1.00 0.00 H new ATOM 1247 N ARG A 77 2.686 12.200 -18.963 1.00 0.00 N ATOM 1248 CA ARG A 77 4.063 11.865 -18.621 1.00 0.00 C ATOM 1249 C ARG A 77 4.891 13.145 -18.519 1.00 0.00 C ATOM 1250 O ARG A 77 4.681 14.083 -19.286 1.00 0.00 O ATOM 1251 CB ARG A 77 4.675 10.932 -19.669 1.00 0.00 C ATOM 1252 CG ARG A 77 3.687 9.941 -20.264 1.00 0.00 C ATOM 1253 CD ARG A 77 4.384 8.954 -21.189 1.00 0.00 C ATOM 1254 NE ARG A 77 4.653 7.680 -20.527 1.00 0.00 N ATOM 1255 CZ ARG A 77 5.336 6.689 -21.090 1.00 0.00 C ATOM 1256 NH1 ARG A 77 5.797 6.819 -22.327 1.00 0.00 N ATOM 1257 NH2 ARG A 77 5.555 5.566 -20.420 1.00 0.00 N ATOM 0 H ARG A 77 2.547 12.467 -19.938 1.00 0.00 H new ATOM 0 HA ARG A 77 4.066 11.349 -17.661 1.00 0.00 H new ATOM 0 HB2 ARG A 77 5.100 11.533 -20.473 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.498 10.381 -19.214 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.185 9.399 -19.463 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.917 10.479 -20.817 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.764 8.782 -22.069 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.322 9.386 -21.539 1.00 0.00 H new ATOM 0 HE ARG A 77 4.297 7.544 -19.581 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.627 7.680 -22.847 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.321 6.058 -22.759 1.00 0.00 H new ATOM 0 HH21 ARG A 77 5.199 5.461 -19.470 1.00 0.00 H new ATOM 0 HH22 ARG A 77 6.080 4.807 -20.855 1.00 0.00 H new ATOM 1271 N VAL A 78 5.822 13.190 -17.571 1.00 0.00 N ATOM 1272 CA VAL A 78 6.656 14.376 -17.389 1.00 0.00 C ATOM 1273 C VAL A 78 8.136 14.024 -17.299 1.00 0.00 C ATOM 1274 O VAL A 78 8.561 13.303 -16.398 1.00 0.00 O ATOM 1275 CB VAL A 78 6.258 15.162 -16.125 1.00 0.00 C ATOM 1276 CG1 VAL A 78 6.576 14.360 -14.869 1.00 0.00 C ATOM 1277 CG2 VAL A 78 6.963 16.512 -16.098 1.00 0.00 C ATOM 0 H VAL A 78 6.018 12.428 -16.922 1.00 0.00 H new ATOM 0 HA VAL A 78 6.490 14.997 -18.269 1.00 0.00 H new ATOM 0 HB VAL A 78 5.182 15.336 -16.150 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.287 14.933 -13.988 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.024 13.421 -14.888 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.645 14.151 -14.831 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.672 17.056 -15.199 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.042 16.359 -16.096 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.680 17.088 -16.979 1.00 0.00 H new ATOM 1287 N ARG A 79 8.916 14.557 -18.230 1.00 0.00 N ATOM 1288 CA ARG A 79 10.354 14.321 -18.257 1.00 0.00 C ATOM 1289 C ARG A 79 11.099 15.652 -18.260 1.00 0.00 C ATOM 1290 O ARG A 79 10.498 16.703 -18.479 1.00 0.00 O ATOM 1291 CB ARG A 79 10.725 13.488 -19.491 1.00 0.00 C ATOM 1292 CG ARG A 79 12.211 13.175 -19.617 1.00 0.00 C ATOM 1293 CD ARG A 79 12.731 12.390 -18.421 1.00 0.00 C ATOM 1294 NE ARG A 79 14.140 12.668 -18.156 1.00 0.00 N ATOM 1295 CZ ARG A 79 14.726 12.449 -16.984 1.00 0.00 C ATOM 1296 NH1 ARG A 79 14.029 11.952 -15.972 1.00 0.00 N ATOM 1297 NH2 ARG A 79 16.013 12.726 -16.822 1.00 0.00 N ATOM 0 H ARG A 79 8.575 15.159 -18.980 1.00 0.00 H new ATOM 0 HA ARG A 79 10.644 13.765 -17.366 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.170 12.550 -19.461 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.402 14.022 -20.385 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.385 12.604 -20.529 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.771 14.105 -19.711 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.140 12.639 -17.539 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.600 11.323 -18.602 1.00 0.00 H new ATOM 0 HE ARG A 79 14.706 13.052 -18.913 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.039 11.736 -16.092 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.482 11.785 -15.074 1.00 0.00 H new ATOM 0 HH21 ARG A 79 16.554 13.108 -17.598 1.00 0.00 H new ATOM 0 HH22 ARG A 79 16.462 12.557 -15.922 1.00 0.00 H new ATOM 1311 N THR A 80 12.406 15.609 -18.030 1.00 0.00 N ATOM 1312 CA THR A 80 13.216 16.815 -18.020 1.00 0.00 C ATOM 1313 C THR A 80 14.194 16.768 -19.170 1.00 0.00 C ATOM 1314 O THR A 80 15.344 16.354 -19.016 1.00 0.00 O ATOM 1315 CB THR A 80 13.956 16.976 -16.692 1.00 0.00 C ATOM 1316 OG1 THR A 80 15.185 17.657 -16.875 1.00 0.00 O ATOM 1317 CG2 THR A 80 14.258 15.663 -15.998 1.00 0.00 C ATOM 0 H THR A 80 12.925 14.750 -17.848 1.00 0.00 H new ATOM 0 HA THR A 80 12.560 17.678 -18.135 1.00 0.00 H new ATOM 0 HB THR A 80 13.276 17.549 -16.062 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.739 17.165 -17.516 1.00 0.00 H new ATOM 0 HG21 THR A 80 14.784 15.858 -15.063 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.325 15.140 -15.787 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.882 15.045 -16.644 1.00 0.00 H new ATOM 1325 N SER A 81 13.713 17.173 -20.327 1.00 0.00 N ATOM 1326 CA SER A 81 14.521 17.163 -21.528 1.00 0.00 C ATOM 1327 C SER A 81 15.649 18.183 -21.439 1.00 0.00 C ATOM 1328 O SER A 81 15.681 19.151 -22.196 1.00 0.00 O ATOM 1329 CB SER A 81 13.653 17.462 -22.754 1.00 0.00 C ATOM 1330 OG SER A 81 14.416 17.420 -23.946 1.00 0.00 O ATOM 0 H SER A 81 12.761 17.515 -20.461 1.00 0.00 H new ATOM 0 HA SER A 81 14.959 16.170 -21.628 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.841 16.737 -22.813 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.195 18.445 -22.647 1.00 0.00 H new ATOM 0 HG SER A 81 15.240 16.913 -23.789 1.00 0.00 H new ATOM 1336 N ARG A 82 16.578 17.968 -20.511 1.00 0.00 N ATOM 1337 CA ARG A 82 17.699 18.887 -20.340 1.00 0.00 C ATOM 1338 C ARG A 82 18.337 19.222 -21.686 1.00 0.00 C ATOM 1339 O ARG A 82 18.450 18.366 -22.564 1.00 0.00 O ATOM 1340 CB ARG A 82 18.745 18.296 -19.388 1.00 0.00 C ATOM 1341 CG ARG A 82 18.689 18.873 -17.980 1.00 0.00 C ATOM 1342 CD ARG A 82 18.634 20.394 -17.996 1.00 0.00 C ATOM 1343 NE ARG A 82 19.081 20.973 -16.731 1.00 0.00 N ATOM 1344 CZ ARG A 82 20.354 21.228 -16.439 1.00 0.00 C ATOM 1345 NH1 ARG A 82 21.312 20.937 -17.311 1.00 0.00 N ATOM 1346 NH2 ARG A 82 20.671 21.767 -15.270 1.00 0.00 N ATOM 0 H ARG A 82 16.577 17.173 -19.872 1.00 0.00 H new ATOM 0 HA ARG A 82 17.314 19.808 -19.903 1.00 0.00 H new ATOM 0 HB2 ARG A 82 18.605 17.216 -19.334 1.00 0.00 H new ATOM 0 HB3 ARG A 82 19.738 18.468 -19.802 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.813 18.483 -17.462 1.00 0.00 H new ATOM 0 HG3 ARG A 82 19.564 18.546 -17.418 1.00 0.00 H new ATOM 0 HD2 ARG A 82 19.257 20.770 -18.807 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.614 20.717 -18.202 1.00 0.00 H new ATOM 0 HE ARG A 82 18.375 21.195 -16.029 1.00 0.00 H new ATOM 0 HH11 ARG A 82 21.074 20.516 -18.209 1.00 0.00 H new ATOM 0 HH12 ARG A 82 22.286 21.134 -17.083 1.00 0.00 H new ATOM 0 HH21 ARG A 82 19.939 21.986 -14.594 1.00 0.00 H new ATOM 0 HH22 ARG A 82 21.647 21.962 -15.046 1.00 0.00 H new ATOM 1360 N THR A 83 18.738 20.478 -21.842 1.00 0.00 N ATOM 1361 CA THR A 83 19.353 20.954 -23.084 1.00 0.00 C ATOM 1362 C THR A 83 20.328 19.930 -23.664 1.00 0.00 C ATOM 1363 O THR A 83 20.513 19.857 -24.879 1.00 0.00 O ATOM 1364 CB THR A 83 20.070 22.283 -22.843 1.00 0.00 C ATOM 1365 OG1 THR A 83 21.322 22.072 -22.213 1.00 0.00 O ATOM 1366 CG2 THR A 83 19.276 23.238 -21.978 1.00 0.00 C ATOM 0 H THR A 83 18.649 21.193 -21.120 1.00 0.00 H new ATOM 0 HA THR A 83 18.554 21.100 -23.811 1.00 0.00 H new ATOM 0 HB THR A 83 20.197 22.728 -23.830 1.00 0.00 H new ATOM 0 HG1 THR A 83 21.765 22.934 -22.069 1.00 0.00 H new ATOM 0 HG21 THR A 83 19.839 24.162 -21.845 1.00 0.00 H new ATOM 0 HG22 THR A 83 18.324 23.460 -22.460 1.00 0.00 H new ATOM 0 HG23 THR A 83 19.093 22.781 -21.005 1.00 0.00 H new ATOM 1374 N GLY A 84 20.945 19.139 -22.793 1.00 0.00 N ATOM 1375 CA GLY A 84 21.887 18.133 -23.248 1.00 0.00 C ATOM 1376 C GLY A 84 21.509 16.734 -22.796 1.00 0.00 C ATOM 1377 O GLY A 84 22.348 15.833 -22.780 1.00 0.00 O ATOM 0 H GLY A 84 20.810 19.176 -21.783 1.00 0.00 H new ATOM 0 HA2 GLY A 84 21.941 18.157 -24.336 1.00 0.00 H new ATOM 0 HA3 GLY A 84 22.881 18.376 -22.874 1.00 0.00 H new ATOM 1381 N TYR A 85 20.245 16.551 -22.424 1.00 0.00 N ATOM 1382 CA TYR A 85 19.763 15.251 -21.965 1.00 0.00 C ATOM 1383 C TYR A 85 19.673 14.254 -23.127 1.00 0.00 C ATOM 1384 O TYR A 85 19.530 14.645 -24.284 1.00 0.00 O ATOM 1385 CB TYR A 85 18.403 15.416 -21.251 1.00 0.00 C ATOM 1386 CG TYR A 85 17.194 14.918 -22.024 1.00 0.00 C ATOM 1387 CD1 TYR A 85 16.782 15.549 -23.189 1.00 0.00 C ATOM 1388 CD2 TYR A 85 16.477 13.813 -21.587 1.00 0.00 C ATOM 1389 CE1 TYR A 85 15.686 15.094 -23.897 1.00 0.00 C ATOM 1390 CE2 TYR A 85 15.380 13.350 -22.289 1.00 0.00 C ATOM 1391 CZ TYR A 85 14.988 13.995 -23.444 1.00 0.00 C ATOM 1392 OH TYR A 85 13.896 13.540 -24.147 1.00 0.00 O ATOM 0 H TYR A 85 19.537 17.285 -22.431 1.00 0.00 H new ATOM 0 HA TYR A 85 20.478 14.844 -21.250 1.00 0.00 H new ATOM 0 HB2 TYR A 85 18.446 14.888 -20.298 1.00 0.00 H new ATOM 0 HB3 TYR A 85 18.257 16.472 -21.024 1.00 0.00 H new ATOM 0 HD1 TYR A 85 17.327 16.410 -23.548 1.00 0.00 H new ATOM 0 HD2 TYR A 85 16.781 13.306 -20.683 1.00 0.00 H new ATOM 0 HE1 TYR A 85 15.378 15.597 -24.801 1.00 0.00 H new ATOM 0 HE2 TYR A 85 14.833 12.488 -21.936 1.00 0.00 H new ATOM 0 HH TYR A 85 13.518 12.757 -23.694 1.00 0.00 H new ATOM 1402 N ASN A 86 19.758 12.964 -22.803 1.00 0.00 N ATOM 1403 CA ASN A 86 19.685 11.916 -23.822 1.00 0.00 C ATOM 1404 C ASN A 86 18.352 11.971 -24.585 1.00 0.00 C ATOM 1405 O ASN A 86 18.176 12.818 -25.461 1.00 0.00 O ATOM 1406 CB ASN A 86 19.914 10.525 -23.213 1.00 0.00 C ATOM 1407 CG ASN A 86 19.371 10.395 -21.805 1.00 0.00 C ATOM 1408 OD1 ASN A 86 19.891 9.623 -20.999 1.00 0.00 O ATOM 1409 ND2 ASN A 86 18.323 11.148 -21.499 1.00 0.00 N ATOM 0 H ASN A 86 19.877 12.621 -21.850 1.00 0.00 H new ATOM 0 HA ASN A 86 20.487 12.101 -24.537 1.00 0.00 H new ATOM 0 HB2 ASN A 86 19.443 9.775 -23.848 1.00 0.00 H new ATOM 0 HB3 ASN A 86 20.983 10.310 -23.205 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.917 11.101 -20.565 1.00 0.00 H new ATOM 0 HD22 ASN A 86 17.924 11.774 -22.198 1.00 0.00 H new ATOM 1416 N GLY A 87 17.416 11.076 -24.256 1.00 0.00 N ATOM 1417 CA GLY A 87 16.131 11.065 -24.930 1.00 0.00 C ATOM 1418 C GLY A 87 15.166 10.076 -24.307 1.00 0.00 C ATOM 1419 O GLY A 87 14.522 9.297 -25.010 1.00 0.00 O ATOM 0 H GLY A 87 17.529 10.362 -23.536 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.697 12.064 -24.897 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.276 10.816 -25.981 1.00 0.00 H new ATOM 1423 N ILE A 88 15.069 10.106 -22.981 1.00 0.00 N ATOM 1424 CA ILE A 88 14.181 9.204 -22.258 1.00 0.00 C ATOM 1425 C ILE A 88 12.946 9.949 -21.747 1.00 0.00 C ATOM 1426 O ILE A 88 12.740 11.117 -22.074 1.00 0.00 O ATOM 1427 CB ILE A 88 14.915 8.498 -21.080 1.00 0.00 C ATOM 1428 CG1 ILE A 88 14.825 9.304 -19.771 1.00 0.00 C ATOM 1429 CG2 ILE A 88 16.374 8.243 -21.442 1.00 0.00 C ATOM 1430 CD1 ILE A 88 15.262 10.746 -19.902 1.00 0.00 C ATOM 0 H ILE A 88 15.595 10.746 -22.386 1.00 0.00 H new ATOM 0 HA ILE A 88 13.858 8.434 -22.959 1.00 0.00 H new ATOM 0 HB ILE A 88 14.413 7.546 -20.911 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.796 9.279 -19.411 1.00 0.00 H new ATOM 0 HG13 ILE A 88 15.439 8.817 -19.014 1.00 0.00 H new ATOM 0 HG21 ILE A 88 16.875 7.749 -20.609 1.00 0.00 H new ATOM 0 HG22 ILE A 88 16.424 7.606 -22.325 1.00 0.00 H new ATOM 0 HG23 ILE A 88 16.868 9.192 -21.651 1.00 0.00 H new ATOM 0 HD11 ILE A 88 15.168 11.244 -18.937 1.00 0.00 H new ATOM 0 HD12 ILE A 88 16.301 10.783 -20.230 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.632 11.252 -20.634 1.00 0.00 H new ATOM 1442 N TRP A 89 12.136 9.269 -20.940 1.00 0.00 N ATOM 1443 CA TRP A 89 10.933 9.876 -20.386 1.00 0.00 C ATOM 1444 C TRP A 89 10.626 9.340 -18.991 1.00 0.00 C ATOM 1445 O TRP A 89 11.375 8.532 -18.443 1.00 0.00 O ATOM 1446 CB TRP A 89 9.745 9.626 -21.309 1.00 0.00 C ATOM 1447 CG TRP A 89 9.633 10.634 -22.408 1.00 0.00 C ATOM 1448 CD1 TRP A 89 10.493 10.799 -23.453 1.00 0.00 C ATOM 1449 CD2 TRP A 89 8.609 11.619 -22.567 1.00 0.00 C ATOM 1450 NE1 TRP A 89 10.065 11.829 -24.256 1.00 0.00 N ATOM 1451 CE2 TRP A 89 8.909 12.347 -23.734 1.00 0.00 C ATOM 1452 CE3 TRP A 89 7.466 11.956 -21.838 1.00 0.00 C ATOM 1453 CZ2 TRP A 89 8.106 13.391 -24.187 1.00 0.00 C ATOM 1454 CZ3 TRP A 89 6.670 12.991 -22.288 1.00 0.00 C ATOM 1455 CH2 TRP A 89 6.993 13.698 -23.452 1.00 0.00 C ATOM 0 H TRP A 89 12.291 8.301 -20.657 1.00 0.00 H new ATOM 0 HA TRP A 89 11.111 10.948 -20.304 1.00 0.00 H new ATOM 0 HB2 TRP A 89 9.834 8.631 -21.745 1.00 0.00 H new ATOM 0 HB3 TRP A 89 8.827 9.635 -20.721 1.00 0.00 H new ATOM 0 HD1 TRP A 89 11.380 10.207 -23.625 1.00 0.00 H new ATOM 0 HE1 TRP A 89 10.532 12.155 -25.102 1.00 0.00 H new ATOM 0 HE3 TRP A 89 7.209 11.417 -20.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 8.352 13.938 -25.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.784 13.259 -21.732 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.350 14.503 -23.777 1.00 0.00 H new ATOM 1466 N SER A 90 9.514 9.802 -18.425 1.00 0.00 N ATOM 1467 CA SER A 90 9.096 9.380 -17.094 1.00 0.00 C ATOM 1468 C SER A 90 7.924 8.408 -17.173 1.00 0.00 C ATOM 1469 O SER A 90 7.530 7.981 -18.257 1.00 0.00 O ATOM 1470 CB SER A 90 8.703 10.594 -16.254 1.00 0.00 C ATOM 1471 OG SER A 90 7.488 11.160 -16.712 1.00 0.00 O ATOM 0 H SER A 90 8.886 10.471 -18.870 1.00 0.00 H new ATOM 0 HA SER A 90 9.937 8.872 -16.622 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.599 10.299 -15.210 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.495 11.342 -16.297 1.00 0.00 H new ATOM 0 HG SER A 90 7.327 12.009 -16.249 1.00 0.00 H new ATOM 1477 N GLU A 91 7.369 8.069 -16.014 1.00 0.00 N ATOM 1478 CA GLU A 91 6.239 7.153 -15.947 1.00 0.00 C ATOM 1479 C GLU A 91 4.942 7.872 -16.302 1.00 0.00 C ATOM 1480 O GLU A 91 4.959 9.017 -16.754 1.00 0.00 O ATOM 1481 CB GLU A 91 6.128 6.545 -14.547 1.00 0.00 C ATOM 1482 CG GLU A 91 6.586 5.098 -14.469 1.00 0.00 C ATOM 1483 CD GLU A 91 8.048 4.928 -14.831 1.00 0.00 C ATOM 1484 OE1 GLU A 91 8.874 5.734 -14.354 1.00 0.00 O ATOM 1485 OE2 GLU A 91 8.368 3.987 -15.588 1.00 0.00 O ATOM 0 H GLU A 91 7.685 8.416 -15.108 1.00 0.00 H new ATOM 0 HA GLU A 91 6.406 6.354 -16.669 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.721 7.142 -13.854 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.092 6.607 -14.215 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.420 4.722 -13.459 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.977 4.492 -15.139 1.00 0.00 H new ATOM 1492 N TRP A 92 3.821 7.194 -16.092 1.00 0.00 N ATOM 1493 CA TRP A 92 2.513 7.768 -16.387 1.00 0.00 C ATOM 1494 C TRP A 92 1.830 8.238 -15.107 1.00 0.00 C ATOM 1495 O TRP A 92 1.858 7.547 -14.089 1.00 0.00 O ATOM 1496 CB TRP A 92 1.631 6.740 -17.095 1.00 0.00 C ATOM 1497 CG TRP A 92 1.775 6.749 -18.585 1.00 0.00 C ATOM 1498 CD1 TRP A 92 2.320 5.767 -19.361 1.00 0.00 C ATOM 1499 CD2 TRP A 92 1.363 7.787 -19.481 1.00 0.00 C ATOM 1500 NE1 TRP A 92 2.270 6.129 -20.685 1.00 0.00 N ATOM 1501 CE2 TRP A 92 1.687 7.365 -20.786 1.00 0.00 C ATOM 1502 CE3 TRP A 92 0.750 9.031 -19.310 1.00 0.00 C ATOM 1503 CZ2 TRP A 92 1.417 8.144 -21.908 1.00 0.00 C ATOM 1504 CZ3 TRP A 92 0.483 9.802 -20.426 1.00 0.00 C ATOM 1505 CH2 TRP A 92 0.815 9.355 -21.710 1.00 0.00 C ATOM 0 H TRP A 92 3.791 6.245 -15.718 1.00 0.00 H new ATOM 0 HA TRP A 92 2.658 8.627 -17.042 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.875 5.746 -16.721 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.589 6.930 -16.838 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.731 4.840 -18.988 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.611 5.569 -21.466 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.489 9.384 -18.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.674 7.803 -22.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.010 10.765 -20.305 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.591 9.980 -22.562 1.00 0.00 H new ATOM 1516 N SER A 93 1.215 9.413 -15.165 1.00 0.00 N ATOM 1517 CA SER A 93 0.522 9.967 -14.008 1.00 0.00 C ATOM 1518 C SER A 93 -0.759 9.194 -13.724 1.00 0.00 C ATOM 1519 O SER A 93 -1.310 8.539 -14.608 1.00 0.00 O ATOM 1520 CB SER A 93 0.198 11.444 -14.235 1.00 0.00 C ATOM 1521 OG SER A 93 -0.803 11.599 -15.225 1.00 0.00 O ATOM 0 H SER A 93 1.182 10.000 -15.999 1.00 0.00 H new ATOM 0 HA SER A 93 1.182 9.877 -13.145 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.137 11.894 -13.301 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.100 11.975 -14.539 1.00 0.00 H new ATOM 0 HG SER A 93 -1.467 12.252 -14.920 1.00 0.00 H new ATOM 1527 N GLU A 94 -1.230 9.274 -12.484 1.00 0.00 N ATOM 1528 CA GLU A 94 -2.449 8.581 -12.085 1.00 0.00 C ATOM 1529 C GLU A 94 -3.627 9.013 -12.950 1.00 0.00 C ATOM 1530 O GLU A 94 -4.127 10.132 -12.824 1.00 0.00 O ATOM 1531 CB GLU A 94 -2.758 8.847 -10.610 1.00 0.00 C ATOM 1532 CG GLU A 94 -3.011 10.313 -10.295 1.00 0.00 C ATOM 1533 CD GLU A 94 -3.000 10.597 -8.806 1.00 0.00 C ATOM 1534 OE1 GLU A 94 -3.801 9.975 -8.078 1.00 0.00 O ATOM 1535 OE2 GLU A 94 -2.190 11.442 -8.370 1.00 0.00 O ATOM 0 H GLU A 94 -0.786 9.811 -11.739 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.290 7.512 -12.226 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.633 8.266 -10.320 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.925 8.492 -10.003 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.251 10.923 -10.784 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.974 10.610 -10.711 1.00 0.00 H new ATOM 1542 N ALA A 95 -4.065 8.120 -13.831 1.00 0.00 N ATOM 1543 CA ALA A 95 -5.183 8.405 -14.720 1.00 0.00 C ATOM 1544 C ALA A 95 -6.372 8.970 -13.948 1.00 0.00 C ATOM 1545 O ALA A 95 -6.611 8.600 -12.798 1.00 0.00 O ATOM 1546 CB ALA A 95 -5.590 7.145 -15.469 1.00 0.00 C ATOM 0 H ALA A 95 -3.661 7.191 -13.948 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.861 9.158 -15.439 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.427 7.369 -16.131 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.747 6.784 -16.059 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.888 6.377 -14.755 1.00 0.00 H new ATOM 1552 N ARG A 96 -7.114 9.865 -14.590 1.00 0.00 N ATOM 1553 CA ARG A 96 -8.281 10.480 -13.969 1.00 0.00 C ATOM 1554 C ARG A 96 -9.517 10.283 -14.838 1.00 0.00 C ATOM 1555 O ARG A 96 -9.469 10.476 -16.052 1.00 0.00 O ATOM 1556 CB ARG A 96 -8.035 11.972 -13.738 1.00 0.00 C ATOM 1557 CG ARG A 96 -6.700 12.273 -13.078 1.00 0.00 C ATOM 1558 CD ARG A 96 -6.810 12.251 -11.562 1.00 0.00 C ATOM 1559 NE ARG A 96 -5.850 13.151 -10.931 1.00 0.00 N ATOM 1560 CZ ARG A 96 -5.868 13.456 -9.638 1.00 0.00 C ATOM 1561 NH1 ARG A 96 -6.790 12.931 -8.844 1.00 0.00 N ATOM 1562 NH2 ARG A 96 -4.963 14.286 -9.138 1.00 0.00 N ATOM 0 H ARG A 96 -6.928 10.181 -15.542 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.452 9.997 -13.007 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -8.083 12.492 -14.695 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.836 12.372 -13.117 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.960 11.541 -13.401 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.344 13.250 -13.404 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.820 12.535 -11.268 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.646 11.236 -11.201 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.125 13.569 -11.515 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.487 12.292 -9.225 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.802 13.166 -7.852 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.252 14.691 -9.746 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.978 14.519 -8.145 1.00 0.00 H new ATOM 1576 N SER A 97 -10.622 9.892 -14.211 1.00 0.00 N ATOM 1577 CA SER A 97 -11.866 9.664 -14.936 1.00 0.00 C ATOM 1578 C SER A 97 -12.888 10.756 -14.640 1.00 0.00 C ATOM 1579 O SER A 97 -13.326 10.917 -13.501 1.00 0.00 O ATOM 1580 CB SER A 97 -12.449 8.297 -14.576 1.00 0.00 C ATOM 1581 OG SER A 97 -11.711 7.686 -13.533 1.00 0.00 O ATOM 0 H SER A 97 -10.681 9.727 -13.206 1.00 0.00 H new ATOM 0 HA SER A 97 -11.638 9.689 -16.002 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.489 8.411 -14.271 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.443 7.653 -15.455 1.00 0.00 H new ATOM 0 HG SER A 97 -11.536 6.749 -13.761 1.00 0.00 H new ATOM 1587 N TRP A 98 -13.273 11.495 -15.675 1.00 0.00 N ATOM 1588 CA TRP A 98 -14.253 12.563 -15.525 1.00 0.00 C ATOM 1589 C TRP A 98 -15.408 12.375 -16.504 1.00 0.00 C ATOM 1590 O TRP A 98 -15.291 11.637 -17.481 1.00 0.00 O ATOM 1591 CB TRP A 98 -13.596 13.934 -15.727 1.00 0.00 C ATOM 1592 CG TRP A 98 -13.318 14.274 -17.161 1.00 0.00 C ATOM 1593 CD1 TRP A 98 -14.137 14.955 -18.015 1.00 0.00 C ATOM 1594 CD2 TRP A 98 -12.140 13.952 -17.906 1.00 0.00 C ATOM 1595 NE1 TRP A 98 -13.536 15.075 -19.245 1.00 0.00 N ATOM 1596 CE2 TRP A 98 -12.310 14.466 -19.201 1.00 0.00 C ATOM 1597 CE3 TRP A 98 -10.956 13.278 -17.605 1.00 0.00 C ATOM 1598 CZ2 TRP A 98 -11.339 14.327 -20.185 1.00 0.00 C ATOM 1599 CZ3 TRP A 98 -9.996 13.141 -18.583 1.00 0.00 C ATOM 1600 CH2 TRP A 98 -10.193 13.664 -19.863 1.00 0.00 C ATOM 0 H TRP A 98 -12.922 11.374 -16.625 1.00 0.00 H new ATOM 0 HA TRP A 98 -14.651 12.519 -14.511 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -14.243 14.701 -15.302 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -12.660 13.962 -15.170 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -15.113 15.342 -17.761 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -13.938 15.542 -20.058 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -10.795 12.869 -16.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.488 14.732 -21.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -9.077 12.621 -18.357 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -9.423 13.541 -20.611 1.00 0.00 H new ATOM 1611 N ASP A 99 -16.524 13.042 -16.232 1.00 0.00 N ATOM 1612 CA ASP A 99 -17.698 12.939 -17.090 1.00 0.00 C ATOM 1613 C ASP A 99 -17.823 14.158 -17.996 1.00 0.00 C ATOM 1614 O ASP A 99 -17.489 15.275 -17.603 1.00 0.00 O ATOM 1615 CB ASP A 99 -18.962 12.787 -16.243 1.00 0.00 C ATOM 1616 CG ASP A 99 -20.187 12.483 -17.083 1.00 0.00 C ATOM 1617 OD1 ASP A 99 -20.020 12.101 -18.260 1.00 0.00 O ATOM 1618 OD2 ASP A 99 -21.314 12.628 -16.563 1.00 0.00 O ATOM 0 H ASP A 99 -16.640 13.658 -15.427 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.580 12.056 -17.718 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -18.815 11.988 -15.517 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -19.130 13.704 -15.678 1.00 0.00 H new ATOM 1623 N THR A 100 -18.312 13.934 -19.212 1.00 0.00 N ATOM 1624 CA THR A 100 -18.488 15.012 -20.178 1.00 0.00 C ATOM 1625 C THR A 100 -19.890 15.611 -20.079 1.00 0.00 C ATOM 1626 O THR A 100 -20.119 16.750 -20.487 1.00 0.00 O ATOM 1627 CB THR A 100 -18.239 14.500 -21.598 1.00 0.00 C ATOM 1628 OG1 THR A 100 -18.729 13.179 -21.748 1.00 0.00 O ATOM 1629 CG2 THR A 100 -16.776 14.496 -21.984 1.00 0.00 C ATOM 0 H THR A 100 -18.594 13.014 -19.552 1.00 0.00 H new ATOM 0 HA THR A 100 -17.762 15.792 -19.948 1.00 0.00 H new ATOM 0 HB THR A 100 -18.768 15.193 -22.253 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.657 12.908 -22.687 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.669 14.122 -23.002 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.382 15.511 -21.927 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.221 13.853 -21.301 1.00 0.00 H new ATOM 1637 N GLU A 101 -20.824 14.838 -19.534 1.00 0.00 N ATOM 1638 CA GLU A 101 -22.201 15.291 -19.383 1.00 0.00 C ATOM 1639 C GLU A 101 -22.830 15.581 -20.743 1.00 0.00 C ATOM 1640 O GLU A 101 -22.127 15.840 -21.720 1.00 0.00 O ATOM 1641 CB GLU A 101 -22.256 16.542 -18.502 1.00 0.00 C ATOM 1642 CG GLU A 101 -22.046 16.253 -17.025 1.00 0.00 C ATOM 1643 CD GLU A 101 -23.158 15.411 -16.432 1.00 0.00 C ATOM 1644 OE1 GLU A 101 -23.238 14.212 -16.767 1.00 0.00 O ATOM 1645 OE2 GLU A 101 -23.948 15.952 -15.629 1.00 0.00 O ATOM 0 H GLU A 101 -20.651 13.894 -19.189 1.00 0.00 H new ATOM 0 HA GLU A 101 -22.769 14.494 -18.903 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -21.495 17.247 -18.838 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -23.222 17.028 -18.635 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -21.095 15.738 -16.891 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -21.978 17.195 -16.480 1.00 0.00 H new ATOM 1652 N SER A 102 -24.157 15.534 -20.798 1.00 0.00 N ATOM 1653 CA SER A 102 -24.881 15.789 -22.038 1.00 0.00 C ATOM 1654 C SER A 102 -25.142 17.281 -22.220 1.00 0.00 C ATOM 1655 O SER A 102 -26.099 17.793 -21.602 1.00 0.00 O ATOM 1656 CB SER A 102 -26.206 15.024 -22.047 1.00 0.00 C ATOM 1657 OG SER A 102 -26.840 15.087 -20.782 1.00 0.00 O ATOM 1658 OXT SER A 102 -24.385 17.925 -22.978 1.00 0.00 O ATOM 0 H SER A 102 -24.753 15.322 -19.998 1.00 0.00 H new ATOM 0 HA SER A 102 -24.263 15.443 -22.867 1.00 0.00 H new ATOM 0 HB2 SER A 102 -26.865 15.441 -22.809 1.00 0.00 H new ATOM 0 HB3 SER A 102 -26.027 13.983 -22.316 1.00 0.00 H new ATOM 0 HG SER A 102 -26.879 16.019 -20.481 1.00 0.00 H new TER 1664 SER A 102