USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 825 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 31 GLN : amide:sc= -0.39 K(o=-4.3,f=-4.9) USER MOD Set 1.2: A 109 SER OG : rot 105:sc= -3.87! USER MOD Single : A 2 MET CE :methyl 155:sc= -0.21 (180deg=-1.47) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 30:sc= -2.78! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 173:sc=-0.00632 (180deg=-0.0975) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS :FLIP no HD1:sc= -9.08! C(o=-11!,f=-9.1!) USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= -0.174 (180deg=-1.73!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -173:sc= 0 (180deg=-0.0916) USER MOD Single : A 36 LYS NZ :NH3+ 172:sc= 0.178 (180deg=0.148) USER MOD Single : A 37 LYS NZ :NH3+ 146:sc= 0.033 (180deg=-0.38) USER MOD Single : A 38 LYS NZ :NH3+ -165:sc= -0.0239 (180deg=-0.266) USER MOD Single : A 39 SER OG : rot 155:sc= -0.22 USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= -3.78! (180deg=-4.27!) USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= -0.0701 (180deg=-0.442) USER MOD Single : A 48 HIS :FLIP no HD1:sc= -0.312 F(o=-1.2,f=-0.31) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= -1.02 (180deg=-1.02) USER MOD Single : A 55 SER OG : rot -39:sc= 0.523 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 140:sc= -3.61! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.155) USER MOD Single : A 82 THR OG1 : rot 59:sc= -0.0608 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 97:sc= 1.06 USER MOD Single : A 86 MET CE :methyl -167:sc= -13! (180deg=-14!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -147:sc= 0.778 (180deg=0.598) USER MOD Single : A 103 SER OG : rot -54:sc= 1.17 USER MOD Single : A 104 THR OG1 : rot 173:sc= 0.308 USER MOD ----------------------------------------------------------------- ATOM 14 N MET A 2 5.230 -10.143 5.158 1.00 0.00 N ATOM 15 CA MET A 2 5.673 -9.090 4.232 1.00 0.00 C ATOM 16 C MET A 2 7.096 -9.337 3.732 1.00 0.00 C ATOM 17 O MET A 2 7.410 -9.051 2.579 1.00 0.00 O ATOM 18 CB MET A 2 5.584 -7.698 4.869 1.00 0.00 C ATOM 19 CG MET A 2 5.677 -6.565 3.858 1.00 0.00 C ATOM 20 SD MET A 2 5.833 -4.944 4.635 1.00 0.00 S ATOM 21 CE MET A 2 7.395 -5.119 5.498 1.00 0.00 C ATOM 0 HA MET A 2 4.994 -9.126 3.380 1.00 0.00 H new ATOM 0 HB2 MET A 2 4.643 -7.614 5.412 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.385 -7.589 5.601 1.00 0.00 H new ATOM 0 HG2 MET A 2 6.535 -6.735 3.207 1.00 0.00 H new ATOM 0 HG3 MET A 2 4.790 -6.575 3.225 1.00 0.00 H new ATOM 0 HE1 MET A 2 7.843 -4.136 5.643 1.00 0.00 H new ATOM 0 HE2 MET A 2 7.224 -5.586 6.468 1.00 0.00 H new ATOM 0 HE3 MET A 2 8.069 -5.741 4.909 1.00 0.00 H new ATOM 31 N THR A 3 7.960 -9.862 4.598 1.00 0.00 N ATOM 32 CA THR A 3 9.341 -10.135 4.218 1.00 0.00 C ATOM 33 C THR A 3 9.427 -11.348 3.299 1.00 0.00 C ATOM 34 O THR A 3 10.283 -11.411 2.416 1.00 0.00 O ATOM 35 CB THR A 3 10.227 -10.381 5.453 1.00 0.00 C ATOM 36 OG1 THR A 3 9.782 -11.551 6.149 1.00 0.00 O ATOM 37 CG2 THR A 3 10.192 -9.184 6.390 1.00 0.00 C ATOM 0 H THR A 3 7.729 -10.105 5.561 1.00 0.00 H new ATOM 0 HA THR A 3 9.703 -9.253 3.690 1.00 0.00 H new ATOM 0 HB THR A 3 11.253 -10.528 5.114 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.351 -11.702 6.932 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.825 -9.381 7.255 1.00 0.00 H new ATOM 0 HG22 THR A 3 10.558 -8.301 5.866 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.168 -9.011 6.721 1.00 0.00 H new ATOM 45 N ASP A 4 8.536 -12.310 3.511 1.00 0.00 N ATOM 46 CA ASP A 4 8.514 -13.523 2.702 1.00 0.00 C ATOM 47 C ASP A 4 7.913 -13.255 1.325 1.00 0.00 C ATOM 48 O ASP A 4 8.204 -13.962 0.360 1.00 0.00 O ATOM 49 CB ASP A 4 7.709 -14.616 3.410 1.00 0.00 C ATOM 50 CG ASP A 4 8.244 -14.932 4.792 1.00 0.00 C ATOM 51 OD1 ASP A 4 7.793 -14.289 5.764 1.00 0.00 O ATOM 52 OD2 ASP A 4 9.114 -15.821 4.904 1.00 0.00 O ATOM 0 H ASP A 4 7.820 -12.274 4.236 1.00 0.00 H new ATOM 0 HA ASP A 4 9.543 -13.857 2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.669 -14.301 3.491 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.722 -15.522 2.804 1.00 0.00 H new ATOM 57 N LEU A 5 7.076 -12.227 1.241 1.00 0.00 N ATOM 58 CA LEU A 5 6.421 -11.875 -0.013 1.00 0.00 C ATOM 59 C LEU A 5 7.029 -10.615 -0.616 1.00 0.00 C ATOM 60 O LEU A 5 7.523 -10.628 -1.744 1.00 0.00 O ATOM 61 CB LEU A 5 4.920 -11.673 0.217 1.00 0.00 C ATOM 62 CG LEU A 5 4.217 -12.782 1.005 1.00 0.00 C ATOM 63 CD1 LEU A 5 4.677 -14.144 0.523 1.00 0.00 C ATOM 64 CD2 LEU A 5 4.463 -12.626 2.499 1.00 0.00 C ATOM 0 H LEU A 5 6.835 -11.623 2.027 1.00 0.00 H new ATOM 0 HA LEU A 5 6.571 -12.695 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.775 -10.730 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.432 -11.575 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 5 3.144 -12.699 0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.169 -14.922 1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.440 -14.255 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.754 -14.235 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.953 -13.425 3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.533 -12.679 2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.079 -11.662 2.832 1.00 0.00 H new ATOM 76 N LEU A 6 6.990 -9.526 0.142 1.00 0.00 N ATOM 77 CA LEU A 6 7.536 -8.254 -0.317 1.00 0.00 C ATOM 78 C LEU A 6 9.015 -8.145 0.026 1.00 0.00 C ATOM 79 O LEU A 6 9.460 -8.638 1.063 1.00 0.00 O ATOM 80 CB LEU A 6 6.774 -7.089 0.319 1.00 0.00 C ATOM 81 CG LEU A 6 5.253 -7.142 0.169 1.00 0.00 C ATOM 82 CD1 LEU A 6 4.634 -5.807 0.547 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.875 -7.528 -1.253 1.00 0.00 C ATOM 0 H LEU A 6 6.586 -9.498 1.078 1.00 0.00 H new ATOM 0 HA LEU A 6 7.423 -8.209 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.017 -7.055 1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.134 -6.159 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 6 4.863 -7.902 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.551 -5.863 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.879 -5.572 1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.027 -5.026 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.789 -7.562 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.275 -6.790 -1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.289 -8.509 -1.486 1.00 0.00 H new ATOM 95 N SER A 7 9.777 -7.497 -0.852 1.00 0.00 N ATOM 96 CA SER A 7 11.205 -7.326 -0.627 1.00 0.00 C ATOM 97 C SER A 7 11.447 -6.535 0.658 1.00 0.00 C ATOM 98 O SER A 7 11.182 -5.337 0.715 1.00 0.00 O ATOM 99 CB SER A 7 11.850 -6.608 -1.812 1.00 0.00 C ATOM 100 OG SER A 7 11.061 -5.507 -2.226 1.00 0.00 O ATOM 0 H SER A 7 9.430 -7.086 -1.719 1.00 0.00 H new ATOM 0 HA SER A 7 11.659 -8.312 -0.526 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.846 -6.263 -1.535 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.973 -7.305 -2.641 1.00 0.00 H new ATOM 0 HG SER A 7 10.573 -5.147 -1.456 1.00 0.00 H new ATOM 106 N ALA A 8 11.973 -7.207 1.679 1.00 0.00 N ATOM 107 CA ALA A 8 12.233 -6.567 2.966 1.00 0.00 C ATOM 108 C ALA A 8 13.272 -5.456 2.852 1.00 0.00 C ATOM 109 O ALA A 8 13.112 -4.382 3.430 1.00 0.00 O ATOM 110 CB ALA A 8 12.684 -7.602 3.985 1.00 0.00 C ATOM 0 H ALA A 8 12.227 -8.194 1.640 1.00 0.00 H new ATOM 0 HA ALA A 8 11.300 -6.112 3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.875 -7.113 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 8 11.904 -8.353 4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.597 -8.083 3.635 1.00 0.00 H new ATOM 116 N GLU A 9 14.335 -5.723 2.106 1.00 0.00 N ATOM 117 CA GLU A 9 15.406 -4.751 1.917 1.00 0.00 C ATOM 118 C GLU A 9 14.890 -3.480 1.246 1.00 0.00 C ATOM 119 O GLU A 9 15.150 -2.369 1.703 1.00 0.00 O ATOM 120 CB GLU A 9 16.516 -5.375 1.068 1.00 0.00 C ATOM 121 CG GLU A 9 17.572 -4.381 0.629 1.00 0.00 C ATOM 122 CD GLU A 9 18.449 -3.918 1.777 1.00 0.00 C ATOM 123 OE1 GLU A 9 17.994 -3.060 2.561 1.00 0.00 O ATOM 124 OE2 GLU A 9 19.589 -4.415 1.892 1.00 0.00 O ATOM 0 H GLU A 9 14.480 -6.608 1.620 1.00 0.00 H new ATOM 0 HA GLU A 9 15.799 -4.477 2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.993 -6.172 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.072 -5.835 0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.196 -4.836 -0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.086 -3.517 0.176 1.00 0.00 H new ATOM 131 N ASP A 10 14.154 -3.663 0.161 1.00 0.00 N ATOM 132 CA ASP A 10 13.599 -2.555 -0.607 1.00 0.00 C ATOM 133 C ASP A 10 12.656 -1.692 0.224 1.00 0.00 C ATOM 134 O ASP A 10 12.798 -0.472 0.286 1.00 0.00 O ATOM 135 CB ASP A 10 12.820 -3.119 -1.774 1.00 0.00 C ATOM 136 CG ASP A 10 13.700 -3.858 -2.764 1.00 0.00 C ATOM 137 OD1 ASP A 10 14.299 -4.883 -2.378 1.00 0.00 O ATOM 138 OD2 ASP A 10 13.789 -3.411 -3.926 1.00 0.00 O ATOM 0 H ASP A 10 13.923 -4.583 -0.214 1.00 0.00 H new ATOM 0 HA ASP A 10 14.429 -1.930 -0.938 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.053 -3.797 -1.400 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.305 -2.307 -2.288 1.00 0.00 H new ATOM 143 N ILE A 11 11.695 -2.347 0.855 1.00 0.00 N ATOM 144 CA ILE A 11 10.694 -1.669 1.662 1.00 0.00 C ATOM 145 C ILE A 11 11.339 -0.786 2.725 1.00 0.00 C ATOM 146 O ILE A 11 11.044 0.405 2.814 1.00 0.00 O ATOM 147 CB ILE A 11 9.796 -2.706 2.358 1.00 0.00 C ATOM 148 CG1 ILE A 11 9.110 -3.614 1.338 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.757 -2.023 3.238 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.813 -4.997 1.875 1.00 0.00 C ATOM 0 H ILE A 11 11.587 -3.361 0.822 1.00 0.00 H new ATOM 0 HA ILE A 11 10.103 -1.040 0.996 1.00 0.00 H new ATOM 0 HB ILE A 11 10.434 -3.323 2.991 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.178 -3.149 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.744 -3.702 0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.135 -2.778 3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.260 -1.428 4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.132 -1.374 2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.326 -5.591 1.101 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.744 -5.480 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.154 -4.918 2.740 1.00 0.00 H new ATOM 162 N LYS A 12 12.227 -1.369 3.521 1.00 0.00 N ATOM 163 CA LYS A 12 12.902 -0.626 4.578 1.00 0.00 C ATOM 164 C LYS A 12 13.615 0.598 4.013 1.00 0.00 C ATOM 165 O LYS A 12 13.511 1.698 4.556 1.00 0.00 O ATOM 166 CB LYS A 12 13.900 -1.525 5.307 1.00 0.00 C ATOM 167 CG LYS A 12 14.534 -0.860 6.517 1.00 0.00 C ATOM 168 CD LYS A 12 15.423 -1.826 7.287 1.00 0.00 C ATOM 169 CE LYS A 12 16.537 -2.375 6.411 1.00 0.00 C ATOM 170 NZ LYS A 12 17.391 -3.352 7.144 1.00 0.00 N ATOM 0 H LYS A 12 12.496 -2.351 3.455 1.00 0.00 H new ATOM 0 HA LYS A 12 12.147 -0.287 5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.393 -2.436 5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.685 -1.823 4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.123 -0.002 6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.752 -0.481 7.175 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.854 -1.317 8.149 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.821 -2.650 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.105 -2.857 5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.154 -1.552 6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.138 -3.703 6.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.824 -2.886 7.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.807 -4.150 7.466 1.00 0.00 H new ATOM 184 N LYS A 13 14.333 0.400 2.914 1.00 0.00 N ATOM 185 CA LYS A 13 15.071 1.481 2.271 1.00 0.00 C ATOM 186 C LYS A 13 14.128 2.511 1.662 1.00 0.00 C ATOM 187 O LYS A 13 14.267 3.710 1.893 1.00 0.00 O ATOM 188 CB LYS A 13 15.964 0.917 1.169 1.00 0.00 C ATOM 189 CG LYS A 13 16.942 -0.133 1.656 1.00 0.00 C ATOM 190 CD LYS A 13 17.431 -1.005 0.508 1.00 0.00 C ATOM 191 CE LYS A 13 18.014 -0.168 -0.619 1.00 0.00 C ATOM 192 NZ LYS A 13 19.150 0.678 -0.158 1.00 0.00 N ATOM 0 H LYS A 13 14.420 -0.503 2.448 1.00 0.00 H new ATOM 0 HA LYS A 13 15.677 1.969 3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.336 0.483 0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.520 1.734 0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.792 0.353 2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.464 -0.756 2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 13 18.186 -1.700 0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.604 -1.604 0.127 1.00 0.00 H new ATOM 0 HE2 LYS A 13 18.353 -0.825 -1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 13 17.235 0.469 -1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 19.593 1.141 -0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 18.799 1.402 0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 19.853 0.082 0.325 1.00 0.00 H new ATOM 206 N ALA A 14 13.167 2.027 0.886 1.00 0.00 N ATOM 207 CA ALA A 14 12.203 2.893 0.217 1.00 0.00 C ATOM 208 C ALA A 14 11.289 3.608 1.208 1.00 0.00 C ATOM 209 O ALA A 14 11.140 4.829 1.159 1.00 0.00 O ATOM 210 CB ALA A 14 11.377 2.084 -0.769 1.00 0.00 C ATOM 0 H ALA A 14 13.033 1.032 0.703 1.00 0.00 H new ATOM 0 HA ALA A 14 12.764 3.659 -0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.659 2.738 -1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.035 1.637 -1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.843 1.297 -0.237 1.00 0.00 H new ATOM 216 N ILE A 15 10.677 2.842 2.106 1.00 0.00 N ATOM 217 CA ILE A 15 9.765 3.402 3.093 1.00 0.00 C ATOM 218 C ILE A 15 10.435 4.486 3.940 1.00 0.00 C ATOM 219 O ILE A 15 9.861 5.549 4.168 1.00 0.00 O ATOM 220 CB ILE A 15 9.168 2.294 3.965 1.00 0.00 C ATOM 221 CG1 ILE A 15 8.175 1.578 3.079 1.00 0.00 C ATOM 222 CG2 ILE A 15 8.486 2.833 5.227 1.00 0.00 C ATOM 223 CD1 ILE A 15 7.278 0.616 3.789 1.00 0.00 C ATOM 0 H ILE A 15 10.797 1.831 2.169 1.00 0.00 H new ATOM 0 HA ILE A 15 8.950 3.885 2.555 1.00 0.00 H new ATOM 0 HB ILE A 15 9.952 1.631 4.331 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.559 2.322 2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.723 1.039 2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.082 2.002 5.805 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.214 3.375 5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.676 3.506 4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.601 0.152 3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.880 -0.154 4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.698 1.148 4.543 1.00 0.00 H new ATOM 235 N GLY A 16 11.649 4.204 4.405 1.00 0.00 N ATOM 236 CA GLY A 16 12.371 5.167 5.220 1.00 0.00 C ATOM 237 C GLY A 16 12.983 6.283 4.397 1.00 0.00 C ATOM 238 O GLY A 16 13.014 7.437 4.829 1.00 0.00 O ATOM 0 H GLY A 16 12.145 3.329 4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.692 5.595 5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.158 4.653 5.771 1.00 0.00 H new ATOM 242 N ALA A 17 13.471 5.942 3.210 1.00 0.00 N ATOM 243 CA ALA A 17 14.085 6.923 2.319 1.00 0.00 C ATOM 244 C ALA A 17 13.043 7.807 1.643 1.00 0.00 C ATOM 245 O ALA A 17 13.391 8.747 0.928 1.00 0.00 O ATOM 246 CB ALA A 17 14.910 6.217 1.258 1.00 0.00 C ATOM 0 H ALA A 17 13.454 4.991 2.840 1.00 0.00 H new ATOM 0 HA ALA A 17 14.726 7.560 2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.364 6.956 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.693 5.629 1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 17 14.266 5.558 0.676 1.00 0.00 H new ATOM 252 N PHE A 18 11.767 7.511 1.866 1.00 0.00 N ATOM 253 CA PHE A 18 10.697 8.275 1.244 1.00 0.00 C ATOM 254 C PHE A 18 9.853 9.030 2.263 1.00 0.00 C ATOM 255 O PHE A 18 8.849 8.516 2.756 1.00 0.00 O ATOM 256 CB PHE A 18 9.796 7.342 0.442 1.00 0.00 C ATOM 257 CG PHE A 18 10.360 6.871 -0.873 1.00 0.00 C ATOM 258 CD1 PHE A 18 11.412 7.528 -1.501 1.00 0.00 C ATOM 259 CD2 PHE A 18 9.811 5.762 -1.489 1.00 0.00 C ATOM 260 CE1 PHE A 18 11.901 7.077 -2.714 1.00 0.00 C ATOM 261 CE2 PHE A 18 10.290 5.309 -2.701 1.00 0.00 C ATOM 262 CZ PHE A 18 11.338 5.966 -3.316 1.00 0.00 C ATOM 0 H PHE A 18 11.452 6.752 2.470 1.00 0.00 H new ATOM 0 HA PHE A 18 11.166 9.010 0.590 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.569 6.469 1.054 1.00 0.00 H new ATOM 0 HB3 PHE A 18 8.852 7.852 0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.852 8.399 -1.037 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.993 5.241 -1.013 1.00 0.00 H new ATOM 0 HE1 PHE A 18 12.722 7.592 -3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.846 4.442 -3.168 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.717 5.613 -4.264 1.00 0.00 H new ATOM 272 N THR A 19 10.266 10.252 2.579 1.00 0.00 N ATOM 273 CA THR A 19 9.519 11.089 3.508 1.00 0.00 C ATOM 274 C THR A 19 8.511 11.935 2.734 1.00 0.00 C ATOM 275 O THR A 19 7.354 12.063 3.128 1.00 0.00 O ATOM 276 CB THR A 19 10.450 12.011 4.316 1.00 0.00 C ATOM 277 OG1 THR A 19 11.377 11.227 5.075 1.00 0.00 O ATOM 278 CG2 THR A 19 9.649 12.904 5.253 1.00 0.00 C ATOM 0 H THR A 19 11.112 10.684 2.206 1.00 0.00 H new ATOM 0 HA THR A 19 9.001 10.435 4.209 1.00 0.00 H new ATOM 0 HB THR A 19 10.996 12.643 3.615 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.967 11.821 5.585 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.329 13.546 5.813 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.964 13.521 4.671 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.080 12.285 5.947 1.00 0.00 H new ATOM 286 N ALA A 20 8.990 12.514 1.638 1.00 0.00 N ATOM 287 CA ALA A 20 8.184 13.338 0.753 1.00 0.00 C ATOM 288 C ALA A 20 7.698 12.514 -0.437 1.00 0.00 C ATOM 289 O ALA A 20 6.574 12.686 -0.908 1.00 0.00 O ATOM 290 CB ALA A 20 8.990 14.536 0.276 1.00 0.00 C ATOM 0 H ALA A 20 9.961 12.421 1.338 1.00 0.00 H new ATOM 0 HA ALA A 20 7.315 13.700 1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.377 15.147 -0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.300 15.131 1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.872 14.190 -0.263 1.00 0.00 H new ATOM 296 N ALA A 21 8.564 11.615 -0.919 1.00 0.00 N ATOM 297 CA ALA A 21 8.235 10.759 -2.061 1.00 0.00 C ATOM 298 C ALA A 21 6.865 10.128 -1.884 1.00 0.00 C ATOM 299 O ALA A 21 5.933 10.414 -2.636 1.00 0.00 O ATOM 300 CB ALA A 21 9.298 9.686 -2.245 1.00 0.00 C ATOM 0 H ALA A 21 9.497 11.463 -0.535 1.00 0.00 H new ATOM 0 HA ALA A 21 8.211 11.379 -2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.038 9.059 -3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.264 10.158 -2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.354 9.072 -1.346 1.00 0.00 H new ATOM 306 N ASP A 22 6.748 9.265 -0.887 1.00 0.00 N ATOM 307 CA ASP A 22 5.475 8.625 -0.589 1.00 0.00 C ATOM 308 C ASP A 22 4.446 9.705 -0.306 1.00 0.00 C ATOM 309 O ASP A 22 3.254 9.543 -0.565 1.00 0.00 O ATOM 310 CB ASP A 22 5.595 7.700 0.627 1.00 0.00 C ATOM 311 CG ASP A 22 6.608 6.592 0.424 1.00 0.00 C ATOM 312 OD1 ASP A 22 6.563 5.929 -0.631 1.00 0.00 O ATOM 313 OD2 ASP A 22 7.443 6.382 1.328 1.00 0.00 O ATOM 0 H ASP A 22 7.515 8.992 -0.272 1.00 0.00 H new ATOM 0 HA ASP A 22 5.171 8.021 -1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.878 8.289 1.499 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.621 7.261 0.841 1.00 0.00 H new ATOM 318 N SER A 23 4.940 10.813 0.234 1.00 0.00 N ATOM 319 CA SER A 23 4.120 11.959 0.557 1.00 0.00 C ATOM 320 C SER A 23 3.497 12.539 -0.708 1.00 0.00 C ATOM 321 O SER A 23 2.387 13.065 -0.682 1.00 0.00 O ATOM 322 CB SER A 23 4.998 13.008 1.238 1.00 0.00 C ATOM 323 OG SER A 23 4.315 13.636 2.309 1.00 0.00 O ATOM 0 H SER A 23 5.927 10.935 0.459 1.00 0.00 H new ATOM 0 HA SER A 23 3.313 11.657 1.225 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.908 12.537 1.611 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.303 13.759 0.509 1.00 0.00 H new ATOM 0 HG SER A 23 4.902 14.301 2.726 1.00 0.00 H new ATOM 329 N PHE A 24 4.228 12.428 -1.815 1.00 0.00 N ATOM 330 CA PHE A 24 3.772 12.949 -3.098 1.00 0.00 C ATOM 331 C PHE A 24 3.087 11.872 -3.937 1.00 0.00 C ATOM 332 O PHE A 24 2.002 12.094 -4.476 1.00 0.00 O ATOM 333 CB PHE A 24 4.954 13.536 -3.873 1.00 0.00 C ATOM 334 CG PHE A 24 4.575 14.138 -5.196 1.00 0.00 C ATOM 335 CD1 PHE A 24 4.570 13.368 -6.349 1.00 0.00 C ATOM 336 CD2 PHE A 24 4.228 15.476 -5.287 1.00 0.00 C ATOM 337 CE1 PHE A 24 4.226 13.923 -7.568 1.00 0.00 C ATOM 338 CE2 PHE A 24 3.882 16.036 -6.503 1.00 0.00 C ATOM 339 CZ PHE A 24 3.882 15.258 -7.645 1.00 0.00 C ATOM 0 H PHE A 24 5.143 11.979 -1.847 1.00 0.00 H new ATOM 0 HA PHE A 24 3.039 13.730 -2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 24 5.434 14.300 -3.261 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.692 12.752 -4.040 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.838 12.323 -6.295 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.228 16.089 -4.398 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.226 13.313 -8.459 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.612 17.080 -6.560 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.613 15.693 -8.596 1.00 0.00 H new ATOM 349 N ASP A 25 3.721 10.706 -4.050 1.00 0.00 N ATOM 350 CA ASP A 25 3.163 9.616 -4.843 1.00 0.00 C ATOM 351 C ASP A 25 3.755 8.263 -4.443 1.00 0.00 C ATOM 352 O ASP A 25 4.875 7.925 -4.827 1.00 0.00 O ATOM 353 CB ASP A 25 3.407 9.881 -6.331 1.00 0.00 C ATOM 354 CG ASP A 25 2.982 8.724 -7.215 1.00 0.00 C ATOM 355 OD1 ASP A 25 1.762 8.547 -7.414 1.00 0.00 O ATOM 356 OD2 ASP A 25 3.872 8.000 -7.709 1.00 0.00 O ATOM 0 H ASP A 25 4.614 10.494 -3.606 1.00 0.00 H new ATOM 0 HA ASP A 25 2.091 9.574 -4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.864 10.778 -6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.466 10.083 -6.490 1.00 0.00 H new ATOM 361 N HIS A 26 2.994 7.495 -3.664 1.00 0.00 N ATOM 362 CA HIS A 26 3.431 6.175 -3.220 1.00 0.00 C ATOM 363 C HIS A 26 3.434 5.188 -4.386 1.00 0.00 C ATOM 364 O HIS A 26 4.083 4.145 -4.318 1.00 0.00 O ATOM 365 CB HIS A 26 2.547 5.700 -2.049 1.00 0.00 C ATOM 366 CG HIS A 26 2.477 4.217 -1.823 1.00 0.00 C ATOM 367 ND1 HIS A 26 2.220 3.188 -2.667 1.00 0.00 N flip ATOM 368 CD2 HIS A 26 2.631 3.651 -0.574 1.00 0.00 C flip ATOM 369 CE1 HIS A 26 2.222 2.036 -1.917 1.00 0.00 C flip ATOM 370 NE2 HIS A 26 2.472 2.343 -0.659 1.00 0.00 N flip ATOM 0 H HIS A 26 2.070 7.766 -3.328 1.00 0.00 H new ATOM 0 HA HIS A 26 4.457 6.234 -2.857 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.911 6.168 -1.134 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.535 6.068 -2.214 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.848 4.194 0.334 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.047 1.040 -2.297 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.532 1.683 0.116 1.00 0.00 H new ATOM 379 N LYS A 27 2.716 5.521 -5.467 1.00 0.00 N ATOM 380 CA LYS A 27 2.673 4.674 -6.645 1.00 0.00 C ATOM 381 C LYS A 27 4.087 4.280 -7.053 1.00 0.00 C ATOM 382 O LYS A 27 4.384 3.104 -7.239 1.00 0.00 O ATOM 383 CB LYS A 27 1.975 5.413 -7.785 1.00 0.00 C ATOM 384 CG LYS A 27 0.534 5.789 -7.496 1.00 0.00 C ATOM 385 CD LYS A 27 -0.237 4.614 -6.939 1.00 0.00 C ATOM 386 CE LYS A 27 -0.407 3.510 -7.969 1.00 0.00 C ATOM 387 NZ LYS A 27 -1.115 2.327 -7.403 1.00 0.00 N ATOM 0 H LYS A 27 2.160 6.373 -5.541 1.00 0.00 H new ATOM 0 HA LYS A 27 2.112 3.768 -6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.536 6.319 -8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.003 4.789 -8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.507 6.615 -6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.057 6.140 -8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.283 4.219 -6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.217 4.950 -6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.965 3.893 -8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.572 3.205 -8.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.754 1.460 -7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.951 2.282 -6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.135 2.412 -7.587 1.00 0.00 H new ATOM 401 N LYS A 28 4.962 5.272 -7.171 1.00 0.00 N ATOM 402 CA LYS A 28 6.351 5.012 -7.514 1.00 0.00 C ATOM 403 C LYS A 28 6.942 4.107 -6.452 1.00 0.00 C ATOM 404 O LYS A 28 7.618 3.125 -6.754 1.00 0.00 O ATOM 405 CB LYS A 28 7.142 6.318 -7.581 1.00 0.00 C ATOM 406 CG LYS A 28 6.726 7.230 -8.722 1.00 0.00 C ATOM 407 CD LYS A 28 7.638 7.063 -9.927 1.00 0.00 C ATOM 408 CE LYS A 28 7.654 5.625 -10.419 1.00 0.00 C ATOM 409 NZ LYS A 28 8.621 5.436 -11.535 1.00 0.00 N ATOM 0 H LYS A 28 4.734 6.257 -7.035 1.00 0.00 H new ATOM 0 HA LYS A 28 6.403 4.534 -8.492 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.022 6.853 -6.639 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.202 6.085 -7.683 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.698 7.010 -9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.749 8.267 -8.388 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.305 7.720 -10.731 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.650 7.370 -9.664 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.915 4.961 -9.595 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.655 5.343 -10.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.604 4.443 -11.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.357 6.051 -12.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.578 5.681 -11.210 1.00 0.00 H new ATOM 423 N PHE A 29 6.668 4.452 -5.200 1.00 0.00 N ATOM 424 CA PHE A 29 7.133 3.661 -4.077 1.00 0.00 C ATOM 425 C PHE A 29 6.639 2.222 -4.225 1.00 0.00 C ATOM 426 O PHE A 29 7.338 1.278 -3.863 1.00 0.00 O ATOM 427 CB PHE A 29 6.660 4.278 -2.750 1.00 0.00 C ATOM 428 CG PHE A 29 6.693 3.319 -1.592 1.00 0.00 C ATOM 429 CD1 PHE A 29 7.888 2.954 -0.995 1.00 0.00 C ATOM 430 CD2 PHE A 29 5.518 2.775 -1.118 1.00 0.00 C ATOM 431 CE1 PHE A 29 7.904 2.059 0.057 1.00 0.00 C ATOM 432 CE2 PHE A 29 5.526 1.879 -0.070 1.00 0.00 C ATOM 433 CZ PHE A 29 6.717 1.520 0.517 1.00 0.00 C ATOM 0 H PHE A 29 6.125 5.276 -4.941 1.00 0.00 H new ATOM 0 HA PHE A 29 8.223 3.655 -4.067 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.287 5.138 -2.516 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.643 4.649 -2.874 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.816 3.373 -1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.579 3.054 -1.573 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.840 1.781 0.518 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.598 1.459 0.290 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.725 0.817 1.337 1.00 0.00 H new ATOM 443 N PHE A 30 5.426 2.062 -4.750 1.00 0.00 N ATOM 444 CA PHE A 30 4.856 0.734 -4.965 1.00 0.00 C ATOM 445 C PHE A 30 5.836 -0.118 -5.764 1.00 0.00 C ATOM 446 O PHE A 30 5.898 -1.337 -5.608 1.00 0.00 O ATOM 447 CB PHE A 30 3.534 0.844 -5.727 1.00 0.00 C ATOM 448 CG PHE A 30 2.454 -0.073 -5.223 1.00 0.00 C ATOM 449 CD1 PHE A 30 2.488 -1.428 -5.508 1.00 0.00 C ATOM 450 CD2 PHE A 30 1.401 0.422 -4.471 1.00 0.00 C ATOM 451 CE1 PHE A 30 1.494 -2.274 -5.053 1.00 0.00 C ATOM 452 CE2 PHE A 30 0.404 -0.419 -4.013 1.00 0.00 C ATOM 453 CZ PHE A 30 0.451 -1.769 -4.305 1.00 0.00 C ATOM 0 H PHE A 30 4.821 2.833 -5.033 1.00 0.00 H new ATOM 0 HA PHE A 30 4.669 0.267 -3.998 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.178 1.873 -5.668 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.716 0.629 -6.780 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.302 -1.829 -6.094 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.359 1.476 -4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.534 -3.329 -5.283 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.411 -0.021 -3.427 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.327 -2.427 -3.948 1.00 0.00 H new ATOM 463 N GLN A 31 6.591 0.552 -6.628 1.00 0.00 N ATOM 464 CA GLN A 31 7.580 -0.103 -7.474 1.00 0.00 C ATOM 465 C GLN A 31 8.911 -0.285 -6.743 1.00 0.00 C ATOM 466 O GLN A 31 9.548 -1.333 -6.846 1.00 0.00 O ATOM 467 CB GLN A 31 7.775 0.718 -8.747 1.00 0.00 C ATOM 468 CG GLN A 31 6.484 1.292 -9.303 1.00 0.00 C ATOM 469 CD GLN A 31 6.677 1.965 -10.648 1.00 0.00 C ATOM 470 OE1 GLN A 31 7.559 1.592 -11.421 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.849 2.965 -10.936 1.00 0.00 N ATOM 0 H GLN A 31 6.534 1.562 -6.761 1.00 0.00 H new ATOM 0 HA GLN A 31 7.215 -1.097 -7.732 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.467 1.535 -8.540 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.241 0.090 -9.507 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.749 0.493 -9.403 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.077 2.014 -8.595 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.131 3.242 -10.266 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.931 3.455 -11.827 1.00 0.00 H new ATOM 480 N MET A 32 9.320 0.740 -6.004 1.00 0.00 N ATOM 481 CA MET A 32 10.578 0.702 -5.258 1.00 0.00 C ATOM 482 C MET A 32 10.479 -0.245 -4.070 1.00 0.00 C ATOM 483 O MET A 32 11.437 -0.926 -3.713 1.00 0.00 O ATOM 484 CB MET A 32 10.942 2.093 -4.755 1.00 0.00 C ATOM 485 CG MET A 32 10.505 3.208 -5.678 1.00 0.00 C ATOM 486 SD MET A 32 10.879 2.885 -7.413 1.00 0.00 S ATOM 487 CE MET A 32 12.663 2.736 -7.349 1.00 0.00 C ATOM 0 H MET A 32 8.799 1.611 -5.904 1.00 0.00 H new ATOM 0 HA MET A 32 11.353 0.344 -5.936 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.488 2.246 -3.776 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.022 2.149 -4.618 1.00 0.00 H new ATOM 0 HG2 MET A 32 9.432 3.362 -5.567 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.993 4.134 -5.374 1.00 0.00 H new ATOM 0 HE1 MET A 32 13.058 2.659 -8.362 1.00 0.00 H new ATOM 0 HE2 MET A 32 13.084 3.615 -6.861 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.934 1.843 -6.785 1.00 0.00 H new ATOM 497 N VAL A 33 9.299 -0.269 -3.470 1.00 0.00 N ATOM 498 CA VAL A 33 9.026 -1.096 -2.304 1.00 0.00 C ATOM 499 C VAL A 33 9.083 -2.580 -2.635 1.00 0.00 C ATOM 500 O VAL A 33 9.277 -3.418 -1.753 1.00 0.00 O ATOM 501 CB VAL A 33 7.642 -0.756 -1.739 1.00 0.00 C ATOM 502 CG1 VAL A 33 6.561 -1.085 -2.748 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.386 -1.482 -0.440 1.00 0.00 C ATOM 0 H VAL A 33 8.501 0.286 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 33 9.798 -0.885 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 33 7.619 0.315 -1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.585 -0.837 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.724 -0.506 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.595 -2.149 -2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.397 -1.220 -0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.437 -2.558 -0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.140 -1.193 0.293 1.00 0.00 H new ATOM 513 N GLY A 34 8.910 -2.897 -3.907 1.00 0.00 N ATOM 514 CA GLY A 34 8.949 -4.280 -4.338 1.00 0.00 C ATOM 515 C GLY A 34 7.606 -4.970 -4.223 1.00 0.00 C ATOM 516 O GLY A 34 7.535 -6.199 -4.189 1.00 0.00 O ATOM 0 H GLY A 34 8.743 -2.221 -4.652 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.287 -4.323 -5.373 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.682 -4.821 -3.740 1.00 0.00 H new ATOM 520 N LEU A 35 6.537 -4.184 -4.164 1.00 0.00 N ATOM 521 CA LEU A 35 5.195 -4.738 -4.067 1.00 0.00 C ATOM 522 C LEU A 35 4.859 -5.452 -5.364 1.00 0.00 C ATOM 523 O LEU A 35 4.177 -6.472 -5.375 1.00 0.00 O ATOM 524 CB LEU A 35 4.178 -3.634 -3.775 1.00 0.00 C ATOM 525 CG LEU A 35 3.611 -3.647 -2.354 1.00 0.00 C ATOM 526 CD1 LEU A 35 3.546 -2.239 -1.784 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.235 -4.284 -2.347 1.00 0.00 C ATOM 0 H LEU A 35 6.575 -3.165 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 35 5.155 -5.451 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.649 -2.668 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.353 -3.723 -4.482 1.00 0.00 H new ATOM 0 HG LEU A 35 4.276 -4.237 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.140 -2.274 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.548 -1.811 -1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.904 -1.622 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.841 -4.288 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.567 -3.714 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.306 -5.308 -2.712 1.00 0.00 H new ATOM 539 N LYS A 36 5.365 -4.911 -6.459 1.00 0.00 N ATOM 540 CA LYS A 36 5.149 -5.504 -7.767 1.00 0.00 C ATOM 541 C LYS A 36 6.087 -6.699 -7.972 1.00 0.00 C ATOM 542 O LYS A 36 5.900 -7.492 -8.896 1.00 0.00 O ATOM 543 CB LYS A 36 5.377 -4.462 -8.863 1.00 0.00 C ATOM 544 CG LYS A 36 4.333 -3.351 -8.887 1.00 0.00 C ATOM 545 CD LYS A 36 4.985 -1.987 -9.091 1.00 0.00 C ATOM 546 CE LYS A 36 5.919 -1.991 -10.285 1.00 0.00 C ATOM 547 NZ LYS A 36 5.215 -2.354 -11.545 1.00 0.00 N ATOM 0 H LYS A 36 5.929 -4.061 -6.468 1.00 0.00 H new ATOM 0 HA LYS A 36 4.119 -5.855 -7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.363 -4.017 -8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.383 -4.963 -9.831 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.617 -3.538 -9.687 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.774 -3.354 -7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.213 -1.231 -9.234 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.540 -1.710 -8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.372 -1.005 -10.394 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.731 -2.697 -10.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.855 -2.214 -12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.922 -3.351 -11.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.375 -1.751 -11.660 1.00 0.00 H new ATOM 561 N LYS A 37 7.099 -6.825 -7.104 1.00 0.00 N ATOM 562 CA LYS A 37 8.060 -7.920 -7.197 1.00 0.00 C ATOM 563 C LYS A 37 7.355 -9.272 -7.224 1.00 0.00 C ATOM 564 O LYS A 37 7.910 -10.261 -7.705 1.00 0.00 O ATOM 565 CB LYS A 37 9.050 -7.864 -6.025 1.00 0.00 C ATOM 566 CG LYS A 37 10.185 -8.866 -6.156 1.00 0.00 C ATOM 567 CD LYS A 37 10.190 -9.859 -5.004 1.00 0.00 C ATOM 568 CE LYS A 37 10.631 -9.203 -3.707 1.00 0.00 C ATOM 569 NZ LYS A 37 10.651 -10.170 -2.576 1.00 0.00 N ATOM 0 H LYS A 37 7.269 -6.181 -6.332 1.00 0.00 H new ATOM 0 HA LYS A 37 8.609 -7.805 -8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.466 -6.859 -5.956 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.514 -8.051 -5.095 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.090 -9.403 -7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.137 -8.336 -6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.192 -10.279 -4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.858 -10.688 -5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.625 -8.775 -3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.958 -8.380 -3.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.427 -9.929 -1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.746 -10.126 -2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.794 -11.132 -2.944 1.00 0.00 H new ATOM 583 N LYS A 38 6.133 -9.313 -6.707 1.00 0.00 N ATOM 584 CA LYS A 38 5.362 -10.549 -6.681 1.00 0.00 C ATOM 585 C LYS A 38 3.946 -10.321 -7.198 1.00 0.00 C ATOM 586 O LYS A 38 3.613 -9.232 -7.667 1.00 0.00 O ATOM 587 CB LYS A 38 5.317 -11.123 -5.264 1.00 0.00 C ATOM 588 CG LYS A 38 6.662 -11.624 -4.773 1.00 0.00 C ATOM 589 CD LYS A 38 6.499 -12.569 -3.598 1.00 0.00 C ATOM 590 CE LYS A 38 7.839 -13.107 -3.128 1.00 0.00 C ATOM 591 NZ LYS A 38 8.516 -13.911 -4.184 1.00 0.00 N ATOM 0 H LYS A 38 5.656 -8.508 -6.302 1.00 0.00 H new ATOM 0 HA LYS A 38 5.856 -11.266 -7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.952 -10.356 -4.581 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.600 -11.943 -5.235 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.181 -12.134 -5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.283 -10.778 -4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.006 -12.049 -2.777 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.852 -13.399 -3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.482 -12.276 -2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.692 -13.723 -2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.287 -14.464 -3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.829 -14.556 -4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.906 -13.275 -4.909 1.00 0.00 H new ATOM 605 N SER A 39 3.115 -11.354 -7.111 1.00 0.00 N ATOM 606 CA SER A 39 1.737 -11.264 -7.575 1.00 0.00 C ATOM 607 C SER A 39 0.821 -10.730 -6.477 1.00 0.00 C ATOM 608 O SER A 39 1.238 -10.576 -5.329 1.00 0.00 O ATOM 609 CB SER A 39 1.248 -12.635 -8.045 1.00 0.00 C ATOM 610 OG SER A 39 1.330 -13.593 -7.005 1.00 0.00 O ATOM 0 H SER A 39 3.372 -12.262 -6.724 1.00 0.00 H new ATOM 0 HA SER A 39 1.707 -10.567 -8.412 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.217 -12.557 -8.391 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.845 -12.965 -8.895 1.00 0.00 H new ATOM 0 HG SER A 39 0.683 -14.310 -7.169 1.00 0.00 H new ATOM 616 N ALA A 40 -0.426 -10.449 -6.837 1.00 0.00 N ATOM 617 CA ALA A 40 -1.400 -9.927 -5.887 1.00 0.00 C ATOM 618 C ALA A 40 -1.453 -10.775 -4.619 1.00 0.00 C ATOM 619 O ALA A 40 -1.405 -10.251 -3.505 1.00 0.00 O ATOM 620 CB ALA A 40 -2.773 -9.859 -6.534 1.00 0.00 C ATOM 0 H ALA A 40 -0.787 -10.575 -7.783 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.088 -8.922 -5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.494 -9.468 -5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.733 -9.203 -7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.078 -10.858 -6.847 1.00 0.00 H new ATOM 626 N ASP A 41 -1.547 -12.089 -4.795 1.00 0.00 N ATOM 627 CA ASP A 41 -1.615 -13.010 -3.666 1.00 0.00 C ATOM 628 C ASP A 41 -0.462 -12.784 -2.691 1.00 0.00 C ATOM 629 O ASP A 41 -0.642 -12.878 -1.476 1.00 0.00 O ATOM 630 CB ASP A 41 -1.606 -14.457 -4.162 1.00 0.00 C ATOM 631 CG ASP A 41 -0.465 -14.737 -5.122 1.00 0.00 C ATOM 632 OD1 ASP A 41 0.672 -14.943 -4.649 1.00 0.00 O ATOM 633 OD2 ASP A 41 -0.710 -14.748 -6.347 1.00 0.00 O ATOM 0 H ASP A 41 -1.578 -12.540 -5.709 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.547 -12.818 -3.135 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.531 -15.130 -3.308 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.553 -14.674 -4.656 1.00 0.00 H new ATOM 638 N ASP A 42 0.720 -12.489 -3.222 1.00 0.00 N ATOM 639 CA ASP A 42 1.891 -12.254 -2.383 1.00 0.00 C ATOM 640 C ASP A 42 1.762 -10.933 -1.627 1.00 0.00 C ATOM 641 O ASP A 42 1.907 -10.890 -0.406 1.00 0.00 O ATOM 642 CB ASP A 42 3.164 -12.260 -3.231 1.00 0.00 C ATOM 643 CG ASP A 42 3.396 -13.593 -3.914 1.00 0.00 C ATOM 644 OD1 ASP A 42 3.950 -14.505 -3.266 1.00 0.00 O ATOM 645 OD2 ASP A 42 3.022 -13.725 -5.100 1.00 0.00 O ATOM 0 H ASP A 42 0.893 -12.407 -4.224 1.00 0.00 H new ATOM 0 HA ASP A 42 1.954 -13.060 -1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.099 -11.475 -3.984 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.020 -12.025 -2.598 1.00 0.00 H new ATOM 650 N VAL A 43 1.493 -9.857 -2.361 1.00 0.00 N ATOM 651 CA VAL A 43 1.333 -8.538 -1.754 1.00 0.00 C ATOM 652 C VAL A 43 0.187 -8.537 -0.748 1.00 0.00 C ATOM 653 O VAL A 43 0.265 -7.905 0.302 1.00 0.00 O ATOM 654 CB VAL A 43 1.069 -7.449 -2.812 1.00 0.00 C ATOM 655 CG1 VAL A 43 2.313 -7.201 -3.650 1.00 0.00 C ATOM 656 CG2 VAL A 43 -0.103 -7.842 -3.696 1.00 0.00 C ATOM 0 H VAL A 43 1.381 -9.872 -3.375 1.00 0.00 H new ATOM 0 HA VAL A 43 2.270 -8.313 -1.244 1.00 0.00 H new ATOM 0 HB VAL A 43 0.817 -6.522 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.105 -6.429 -4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.128 -6.874 -3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.600 -8.122 -4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.277 -7.063 -4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.122 -8.781 -4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.996 -7.965 -3.083 1.00 0.00 H new ATOM 666 N LYS A 44 -0.864 -9.283 -1.061 1.00 0.00 N ATOM 667 CA LYS A 44 -2.028 -9.363 -0.189 1.00 0.00 C ATOM 668 C LYS A 44 -1.609 -9.667 1.246 1.00 0.00 C ATOM 669 O LYS A 44 -2.278 -9.263 2.197 1.00 0.00 O ATOM 670 CB LYS A 44 -2.997 -10.436 -0.689 1.00 0.00 C ATOM 671 CG LYS A 44 -3.921 -9.959 -1.796 1.00 0.00 C ATOM 672 CD LYS A 44 -4.947 -11.014 -2.158 1.00 0.00 C ATOM 673 CE LYS A 44 -5.768 -10.608 -3.373 1.00 0.00 C ATOM 674 NZ LYS A 44 -4.909 -10.357 -4.563 1.00 0.00 N ATOM 0 H LYS A 44 -0.934 -9.841 -1.912 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.531 -8.396 -0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.424 -11.290 -1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.600 -10.787 0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.430 -9.049 -1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.333 -9.705 -2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.442 -11.959 -2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.611 -11.182 -1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.488 -11.393 -3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.340 -9.709 -3.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.486 -10.418 -5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.489 -9.408 -4.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.152 -11.069 -4.601 1.00 0.00 H new ATOM 688 N LYS A 45 -0.491 -10.368 1.392 1.00 0.00 N ATOM 689 CA LYS A 45 -0.001 -10.753 2.704 1.00 0.00 C ATOM 690 C LYS A 45 0.209 -9.523 3.563 1.00 0.00 C ATOM 691 O LYS A 45 -0.311 -9.442 4.674 1.00 0.00 O ATOM 692 CB LYS A 45 1.300 -11.549 2.585 1.00 0.00 C ATOM 693 CG LYS A 45 1.078 -13.026 2.307 1.00 0.00 C ATOM 694 CD LYS A 45 0.303 -13.244 1.017 1.00 0.00 C ATOM 695 CE LYS A 45 -0.118 -14.696 0.862 1.00 0.00 C ATOM 696 NZ LYS A 45 -1.049 -15.125 1.944 1.00 0.00 N ATOM 0 H LYS A 45 0.092 -10.680 0.615 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.747 -11.390 3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.906 -11.123 1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.869 -11.442 3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.041 -13.533 2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.535 -13.475 3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.580 -12.605 1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.918 -12.949 0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.600 -14.833 -0.106 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.766 -15.333 0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.558 -15.981 1.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.507 -15.329 2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.733 -14.365 2.135 1.00 0.00 H new ATOM 710 N VAL A 46 0.962 -8.559 3.046 1.00 0.00 N ATOM 711 CA VAL A 46 1.204 -7.340 3.790 1.00 0.00 C ATOM 712 C VAL A 46 -0.114 -6.623 4.041 1.00 0.00 C ATOM 713 O VAL A 46 -0.263 -5.884 5.015 1.00 0.00 O ATOM 714 CB VAL A 46 2.200 -6.391 3.075 1.00 0.00 C ATOM 715 CG1 VAL A 46 1.560 -5.624 1.928 1.00 0.00 C ATOM 716 CG2 VAL A 46 2.821 -5.437 4.079 1.00 0.00 C ATOM 0 H VAL A 46 1.407 -8.600 2.129 1.00 0.00 H new ATOM 0 HA VAL A 46 1.662 -7.623 4.738 1.00 0.00 H new ATOM 0 HB VAL A 46 2.980 -7.012 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.303 -4.976 1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.180 -6.327 1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.738 -5.018 2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.519 -4.774 3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.037 -4.844 4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.353 -6.006 4.841 1.00 0.00 H new ATOM 726 N PHE A 47 -1.070 -6.856 3.148 1.00 0.00 N ATOM 727 CA PHE A 47 -2.371 -6.235 3.253 1.00 0.00 C ATOM 728 C PHE A 47 -3.198 -6.863 4.361 1.00 0.00 C ATOM 729 O PHE A 47 -3.932 -6.178 5.059 1.00 0.00 O ATOM 730 CB PHE A 47 -3.128 -6.359 1.945 1.00 0.00 C ATOM 731 CG PHE A 47 -4.327 -5.464 1.875 1.00 0.00 C ATOM 732 CD1 PHE A 47 -4.176 -4.115 1.604 1.00 0.00 C ATOM 733 CD2 PHE A 47 -5.597 -5.965 2.089 1.00 0.00 C ATOM 734 CE1 PHE A 47 -5.274 -3.283 1.544 1.00 0.00 C ATOM 735 CE2 PHE A 47 -6.699 -5.137 2.034 1.00 0.00 C ATOM 736 CZ PHE A 47 -6.537 -3.795 1.760 1.00 0.00 C ATOM 0 H PHE A 47 -0.961 -7.474 2.344 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.208 -5.183 3.487 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.457 -6.123 1.119 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.445 -7.393 1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.189 -3.710 1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.728 -7.016 2.302 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.146 -2.233 1.328 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.687 -5.539 2.205 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.398 -3.145 1.715 1.00 0.00 H new ATOM 746 N HIS A 48 -3.081 -8.176 4.505 1.00 0.00 N ATOM 747 CA HIS A 48 -3.836 -8.901 5.518 1.00 0.00 C ATOM 748 C HIS A 48 -3.371 -8.518 6.915 1.00 0.00 C ATOM 749 O HIS A 48 -4.189 -8.314 7.812 1.00 0.00 O ATOM 750 CB HIS A 48 -3.695 -10.410 5.310 1.00 0.00 C ATOM 751 CG HIS A 48 -4.401 -11.229 6.347 1.00 0.00 C ATOM 752 ND1 HIS A 48 -4.198 -11.336 7.682 1.00 0.00 N flip ATOM 753 CD2 HIS A 48 -5.455 -12.070 6.053 1.00 0.00 C flip ATOM 754 CE1 HIS A 48 -5.124 -12.229 8.163 1.00 0.00 C flip ATOM 755 NE2 HIS A 48 -5.870 -12.657 7.163 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.471 -8.761 3.934 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.887 -8.629 5.418 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.086 -10.670 4.326 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -2.637 -10.671 5.312 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.875 -12.225 5.070 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -5.225 -12.532 9.195 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.636 -13.327 7.234 1.00 0.00 H new ATOM 764 N ILE A 49 -2.055 -8.422 7.101 1.00 0.00 N ATOM 765 CA ILE A 49 -1.501 -8.047 8.398 1.00 0.00 C ATOM 766 C ILE A 49 -2.213 -6.816 8.936 1.00 0.00 C ATOM 767 O ILE A 49 -2.647 -6.778 10.087 1.00 0.00 O ATOM 768 CB ILE A 49 0.003 -7.722 8.310 1.00 0.00 C ATOM 769 CG1 ILE A 49 0.753 -8.754 7.460 1.00 0.00 C ATOM 770 CG2 ILE A 49 0.605 -7.641 9.705 1.00 0.00 C ATOM 771 CD1 ILE A 49 0.343 -10.187 7.722 1.00 0.00 C ATOM 0 H ILE A 49 -1.359 -8.597 6.376 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.644 -8.901 9.060 1.00 0.00 H new ATOM 0 HB ILE A 49 0.109 -6.754 7.821 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.590 -8.528 6.406 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.822 -8.654 7.646 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.668 -7.411 9.630 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.103 -6.857 10.273 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.476 -8.597 10.213 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.920 -10.854 7.081 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.532 -10.434 8.767 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.719 -10.307 7.507 1.00 0.00 H new ATOM 783 N LEU A 50 -2.321 -5.812 8.078 1.00 0.00 N ATOM 784 CA LEU A 50 -2.969 -4.568 8.423 1.00 0.00 C ATOM 785 C LEU A 50 -4.475 -4.632 8.177 1.00 0.00 C ATOM 786 O LEU A 50 -5.248 -3.934 8.836 1.00 0.00 O ATOM 787 CB LEU A 50 -2.334 -3.451 7.601 1.00 0.00 C ATOM 788 CG LEU A 50 -2.581 -3.521 6.094 1.00 0.00 C ATOM 789 CD1 LEU A 50 -3.878 -2.813 5.728 1.00 0.00 C ATOM 790 CD2 LEU A 50 -1.409 -2.915 5.336 1.00 0.00 C ATOM 0 H LEU A 50 -1.960 -5.843 7.125 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.832 -4.374 9.487 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.708 -2.495 7.969 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.258 -3.461 7.776 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.673 -4.569 5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.035 -2.875 4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.711 -3.290 6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.818 -1.766 6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.600 -2.972 4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.287 -1.872 5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.499 -3.466 5.572 1.00 0.00 H new ATOM 802 N ASP A 51 -4.894 -5.471 7.230 1.00 0.00 N ATOM 803 CA ASP A 51 -6.312 -5.605 6.903 1.00 0.00 C ATOM 804 C ASP A 51 -6.899 -6.911 7.437 1.00 0.00 C ATOM 805 O ASP A 51 -7.747 -7.523 6.790 1.00 0.00 O ATOM 806 CB ASP A 51 -6.504 -5.563 5.386 1.00 0.00 C ATOM 807 CG ASP A 51 -7.959 -5.402 4.986 1.00 0.00 C ATOM 808 OD1 ASP A 51 -8.646 -6.432 4.820 1.00 0.00 O ATOM 809 OD2 ASP A 51 -8.411 -4.249 4.835 1.00 0.00 O ATOM 0 H ASP A 51 -4.275 -6.065 6.679 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.833 -4.773 7.376 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.924 -4.738 4.973 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.110 -6.480 4.948 1.00 0.00 H new ATOM 814 N LYS A 52 -6.453 -7.339 8.614 1.00 0.00 N ATOM 815 CA LYS A 52 -6.944 -8.579 9.200 1.00 0.00 C ATOM 816 C LYS A 52 -8.402 -8.455 9.636 1.00 0.00 C ATOM 817 O LYS A 52 -9.229 -9.311 9.320 1.00 0.00 O ATOM 818 CB LYS A 52 -6.069 -8.986 10.388 1.00 0.00 C ATOM 819 CG LYS A 52 -6.189 -8.073 11.597 1.00 0.00 C ATOM 820 CD LYS A 52 -5.456 -8.643 12.789 1.00 0.00 C ATOM 821 CE LYS A 52 -5.197 -7.575 13.837 1.00 0.00 C ATOM 822 NZ LYS A 52 -4.574 -8.138 15.066 1.00 0.00 N ATOM 0 H LYS A 52 -5.757 -6.849 9.176 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.890 -9.353 8.434 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.332 -10.001 10.687 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.028 -9.008 10.066 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.785 -7.090 11.355 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.241 -7.933 11.847 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.042 -9.451 13.227 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.509 -9.075 12.465 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.545 -6.808 13.419 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.137 -7.088 14.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.414 -7.375 15.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.207 -8.852 15.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.665 -8.581 14.823 1.00 0.00 H new ATOM 836 N ASP A 53 -8.709 -7.393 10.368 1.00 0.00 N ATOM 837 CA ASP A 53 -10.060 -7.162 10.858 1.00 0.00 C ATOM 838 C ASP A 53 -10.650 -5.899 10.251 1.00 0.00 C ATOM 839 O ASP A 53 -11.601 -5.329 10.785 1.00 0.00 O ATOM 840 CB ASP A 53 -10.056 -7.061 12.384 1.00 0.00 C ATOM 841 CG ASP A 53 -11.447 -6.880 12.958 1.00 0.00 C ATOM 842 OD1 ASP A 53 -12.131 -7.899 13.188 1.00 0.00 O ATOM 843 OD2 ASP A 53 -11.853 -5.719 13.177 1.00 0.00 O ATOM 0 H ASP A 53 -8.037 -6.675 10.636 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.681 -8.006 10.558 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.608 -7.962 12.803 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.429 -6.222 12.688 1.00 0.00 H new ATOM 848 N LYS A 54 -10.085 -5.458 9.130 1.00 0.00 N ATOM 849 CA LYS A 54 -10.565 -4.258 8.467 1.00 0.00 C ATOM 850 C LYS A 54 -11.807 -4.539 7.616 1.00 0.00 C ATOM 851 O LYS A 54 -12.305 -3.648 6.930 1.00 0.00 O ATOM 852 CB LYS A 54 -9.460 -3.647 7.623 1.00 0.00 C ATOM 853 CG LYS A 54 -9.871 -2.371 6.912 1.00 0.00 C ATOM 854 CD LYS A 54 -10.584 -1.407 7.849 1.00 0.00 C ATOM 855 CE LYS A 54 -9.722 -1.050 9.052 1.00 0.00 C ATOM 856 NZ LYS A 54 -8.443 -0.400 8.651 1.00 0.00 N ATOM 0 H LYS A 54 -9.299 -5.914 8.667 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.856 -3.544 9.237 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.602 -3.437 8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.135 -4.377 6.882 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.988 -1.887 6.495 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.525 -2.616 6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.846 -0.499 7.306 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.518 -1.855 8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.277 -0.382 9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.506 -1.953 9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.887 -0.174 9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.900 -1.047 8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.648 0.475 8.128 1.00 0.00 H new ATOM 870 N SER A 55 -12.299 -5.784 7.665 1.00 0.00 N ATOM 871 CA SER A 55 -13.506 -6.187 6.922 1.00 0.00 C ATOM 872 C SER A 55 -13.216 -6.526 5.457 1.00 0.00 C ATOM 873 O SER A 55 -14.141 -6.792 4.688 1.00 0.00 O ATOM 874 CB SER A 55 -14.585 -5.100 7.000 1.00 0.00 C ATOM 875 OG SER A 55 -15.835 -5.598 6.554 1.00 0.00 O ATOM 0 H SER A 55 -11.879 -6.535 8.213 1.00 0.00 H new ATOM 0 HA SER A 55 -13.870 -7.096 7.401 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.676 -4.744 8.026 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.291 -4.245 6.391 1.00 0.00 H new ATOM 0 HG SER A 55 -15.697 -6.184 5.781 1.00 0.00 H new ATOM 881 N GLY A 56 -11.947 -6.516 5.070 1.00 0.00 N ATOM 882 CA GLY A 56 -11.593 -6.846 3.696 1.00 0.00 C ATOM 883 C GLY A 56 -11.340 -5.623 2.834 1.00 0.00 C ATOM 884 O GLY A 56 -10.786 -5.736 1.740 1.00 0.00 O ATOM 0 H GLY A 56 -11.159 -6.287 5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.701 -7.472 3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.395 -7.436 3.252 1.00 0.00 H new ATOM 888 N PHE A 57 -11.741 -4.455 3.320 1.00 0.00 N ATOM 889 CA PHE A 57 -11.519 -3.212 2.594 1.00 0.00 C ATOM 890 C PHE A 57 -11.168 -2.096 3.565 1.00 0.00 C ATOM 891 O PHE A 57 -11.838 -1.900 4.576 1.00 0.00 O ATOM 892 CB PHE A 57 -12.725 -2.836 1.712 1.00 0.00 C ATOM 893 CG PHE A 57 -13.828 -2.166 2.451 1.00 0.00 C ATOM 894 CD1 PHE A 57 -13.662 -0.861 2.816 1.00 0.00 C ATOM 895 CD2 PHE A 57 -15.008 -2.818 2.764 1.00 0.00 C ATOM 896 CE1 PHE A 57 -14.656 -0.184 3.496 1.00 0.00 C ATOM 897 CE2 PHE A 57 -16.010 -2.156 3.446 1.00 0.00 C ATOM 898 CZ PHE A 57 -15.835 -0.834 3.813 1.00 0.00 C ATOM 0 H PHE A 57 -12.221 -4.343 4.213 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.677 -3.361 1.919 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.386 -2.179 0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.113 -3.739 1.240 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.742 -0.351 2.570 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.146 -3.849 2.474 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.513 0.848 3.779 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.928 -2.669 3.692 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.616 -0.311 4.345 1.00 0.00 H new ATOM 908 N ILE A 58 -10.132 -1.350 3.223 1.00 0.00 N ATOM 909 CA ILE A 58 -9.649 -0.258 4.055 1.00 0.00 C ATOM 910 C ILE A 58 -10.120 1.065 3.503 1.00 0.00 C ATOM 911 O ILE A 58 -10.213 1.252 2.292 1.00 0.00 O ATOM 912 CB ILE A 58 -8.113 -0.253 4.148 1.00 0.00 C ATOM 913 CG1 ILE A 58 -7.557 -1.680 4.121 1.00 0.00 C ATOM 914 CG2 ILE A 58 -7.675 0.455 5.418 1.00 0.00 C ATOM 915 CD1 ILE A 58 -6.059 -1.740 3.935 1.00 0.00 C ATOM 0 H ILE A 58 -9.601 -1.483 2.362 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.053 -0.406 5.056 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.718 0.281 3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.820 -2.181 5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.038 -2.233 3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.587 0.455 5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.038 1.483 5.405 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.086 -0.064 6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.735 -2.781 3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.790 -1.268 2.990 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.569 -1.215 4.755 1.00 0.00 H new ATOM 927 N GLU A 59 -10.392 1.988 4.403 1.00 0.00 N ATOM 928 CA GLU A 59 -10.911 3.282 4.028 1.00 0.00 C ATOM 929 C GLU A 59 -9.821 4.333 3.990 1.00 0.00 C ATOM 930 O GLU A 59 -9.122 4.586 4.971 1.00 0.00 O ATOM 931 CB GLU A 59 -11.981 3.690 5.026 1.00 0.00 C ATOM 932 CG GLU A 59 -13.385 3.269 4.629 1.00 0.00 C ATOM 933 CD GLU A 59 -14.438 3.763 5.599 1.00 0.00 C ATOM 934 OE1 GLU A 59 -14.956 4.883 5.394 1.00 0.00 O ATOM 935 OE2 GLU A 59 -14.748 3.035 6.566 1.00 0.00 O ATOM 0 H GLU A 59 -10.260 1.861 5.406 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.332 3.208 3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.743 3.256 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.957 4.773 5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.607 3.651 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.431 2.182 4.571 1.00 0.00 H new ATOM 942 N GLU A 60 -9.709 4.937 2.819 1.00 0.00 N ATOM 943 CA GLU A 60 -8.732 5.977 2.537 1.00 0.00 C ATOM 944 C GLU A 60 -8.507 6.896 3.732 1.00 0.00 C ATOM 945 O GLU A 60 -7.403 7.397 3.938 1.00 0.00 O ATOM 946 CB GLU A 60 -9.221 6.791 1.348 1.00 0.00 C ATOM 947 CG GLU A 60 -10.617 7.330 1.570 1.00 0.00 C ATOM 948 CD GLU A 60 -10.907 8.586 0.771 1.00 0.00 C ATOM 949 OE1 GLU A 60 -11.317 8.464 -0.402 1.00 0.00 O ATOM 950 OE2 GLU A 60 -10.727 9.694 1.322 1.00 0.00 O ATOM 0 H GLU A 60 -10.306 4.715 2.022 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.778 5.500 2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.536 7.620 1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.210 6.169 0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.343 6.562 1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.753 7.542 2.630 1.00 0.00 H new ATOM 957 N ASP A 61 -9.556 7.119 4.510 1.00 0.00 N ATOM 958 CA ASP A 61 -9.463 7.995 5.668 1.00 0.00 C ATOM 959 C ASP A 61 -8.636 7.361 6.782 1.00 0.00 C ATOM 960 O ASP A 61 -7.684 7.962 7.285 1.00 0.00 O ATOM 961 CB ASP A 61 -10.860 8.324 6.187 1.00 0.00 C ATOM 962 CG ASP A 61 -11.669 9.135 5.197 1.00 0.00 C ATOM 963 OD1 ASP A 61 -11.518 10.374 5.182 1.00 0.00 O ATOM 964 OD2 ASP A 61 -12.455 8.531 4.439 1.00 0.00 O ATOM 0 H ASP A 61 -10.477 6.707 4.361 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.963 8.912 5.354 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.389 7.397 6.411 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.776 8.877 7.122 1.00 0.00 H new ATOM 969 N GLU A 62 -9.014 6.147 7.166 1.00 0.00 N ATOM 970 CA GLU A 62 -8.301 5.412 8.206 1.00 0.00 C ATOM 971 C GLU A 62 -7.023 4.808 7.639 1.00 0.00 C ATOM 972 O GLU A 62 -6.095 4.477 8.377 1.00 0.00 O ATOM 973 CB GLU A 62 -9.184 4.298 8.777 1.00 0.00 C ATOM 974 CG GLU A 62 -10.410 4.801 9.520 1.00 0.00 C ATOM 975 CD GLU A 62 -10.053 5.622 10.742 1.00 0.00 C ATOM 976 OE1 GLU A 62 -9.817 5.020 11.811 1.00 0.00 O ATOM 977 OE2 GLU A 62 -10.008 6.864 10.630 1.00 0.00 O ATOM 0 H GLU A 62 -9.812 5.649 6.772 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.048 6.108 9.005 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.506 3.650 7.962 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.587 3.686 9.454 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.017 5.405 8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.021 3.951 9.824 1.00 0.00 H new ATOM 984 N LEU A 63 -6.983 4.679 6.316 1.00 0.00 N ATOM 985 CA LEU A 63 -5.839 4.113 5.628 1.00 0.00 C ATOM 986 C LEU A 63 -4.537 4.719 6.121 1.00 0.00 C ATOM 987 O LEU A 63 -3.575 4.010 6.417 1.00 0.00 O ATOM 988 CB LEU A 63 -5.975 4.345 4.129 1.00 0.00 C ATOM 989 CG LEU A 63 -5.725 3.132 3.219 1.00 0.00 C ATOM 990 CD1 LEU A 63 -4.823 2.078 3.861 1.00 0.00 C ATOM 991 CD2 LEU A 63 -7.049 2.516 2.807 1.00 0.00 C ATOM 0 H LEU A 63 -7.742 4.964 5.697 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.815 3.044 5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.980 4.717 3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.281 5.135 3.842 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.196 3.496 2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.685 1.247 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.855 2.521 4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.285 1.713 4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.865 1.657 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.592 2.194 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.642 3.255 2.267 1.00 0.00 H new ATOM 1003 N GLY A 64 -4.524 6.034 6.207 1.00 0.00 N ATOM 1004 CA GLY A 64 -3.343 6.739 6.653 1.00 0.00 C ATOM 1005 C GLY A 64 -2.816 6.205 7.970 1.00 0.00 C ATOM 1006 O GLY A 64 -1.606 6.150 8.187 1.00 0.00 O ATOM 0 H GLY A 64 -5.316 6.633 5.974 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.566 6.657 5.893 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.574 7.799 6.760 1.00 0.00 H new ATOM 1010 N SER A 65 -3.729 5.807 8.850 1.00 0.00 N ATOM 1011 CA SER A 65 -3.353 5.264 10.150 1.00 0.00 C ATOM 1012 C SER A 65 -2.846 3.837 9.993 1.00 0.00 C ATOM 1013 O SER A 65 -1.710 3.520 10.346 1.00 0.00 O ATOM 1014 CB SER A 65 -4.549 5.282 11.103 1.00 0.00 C ATOM 1015 OG SER A 65 -4.180 4.838 12.396 1.00 0.00 O ATOM 0 H SER A 65 -4.735 5.850 8.686 1.00 0.00 H new ATOM 0 HA SER A 65 -2.560 5.885 10.567 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.953 6.292 11.164 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.341 4.645 10.709 1.00 0.00 H new ATOM 0 HG SER A 65 -4.963 4.861 12.985 1.00 0.00 H new ATOM 1021 N ILE A 66 -3.707 2.981 9.460 1.00 0.00 N ATOM 1022 CA ILE A 66 -3.369 1.583 9.244 1.00 0.00 C ATOM 1023 C ILE A 66 -2.190 1.435 8.278 1.00 0.00 C ATOM 1024 O ILE A 66 -1.578 0.369 8.199 1.00 0.00 O ATOM 1025 CB ILE A 66 -4.581 0.800 8.706 1.00 0.00 C ATOM 1026 CG1 ILE A 66 -4.232 -0.669 8.516 1.00 0.00 C ATOM 1027 CG2 ILE A 66 -5.074 1.411 7.408 1.00 0.00 C ATOM 1028 CD1 ILE A 66 -3.792 -1.350 9.794 1.00 0.00 C ATOM 0 H ILE A 66 -4.651 3.234 9.168 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.079 1.169 10.210 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.385 0.863 9.440 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.099 -1.192 8.114 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.437 -0.754 7.775 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.931 0.845 7.042 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.370 2.446 7.582 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.276 1.382 6.666 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.558 -2.395 9.588 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.906 -0.851 10.186 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.594 -1.296 10.530 1.00 0.00 H new ATOM 1040 N LEU A 67 -1.870 2.507 7.546 1.00 0.00 N ATOM 1041 CA LEU A 67 -0.757 2.484 6.602 1.00 0.00 C ATOM 1042 C LEU A 67 0.513 1.980 7.270 1.00 0.00 C ATOM 1043 O LEU A 67 1.404 1.437 6.612 1.00 0.00 O ATOM 1044 CB LEU A 67 -0.507 3.890 6.051 1.00 0.00 C ATOM 1045 CG LEU A 67 -0.660 4.024 4.539 1.00 0.00 C ATOM 1046 CD1 LEU A 67 -2.121 4.087 4.152 1.00 0.00 C ATOM 1047 CD2 LEU A 67 0.099 5.238 4.031 1.00 0.00 C ATOM 0 H LEU A 67 -2.366 3.397 7.591 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.021 1.808 5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.197 4.582 6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.501 4.199 6.328 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.230 3.140 4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.207 4.182 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.623 3.176 4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.587 4.948 4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.022 5.317 2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.293 6.137 4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.157 5.132 4.271 1.00 0.00 H new ATOM 1059 N LYS A 68 0.584 2.151 8.581 1.00 0.00 N ATOM 1060 CA LYS A 68 1.752 1.753 9.339 1.00 0.00 C ATOM 1061 C LYS A 68 2.193 0.334 9.005 1.00 0.00 C ATOM 1062 O LYS A 68 3.347 -0.021 9.230 1.00 0.00 O ATOM 1063 CB LYS A 68 1.463 1.885 10.823 1.00 0.00 C ATOM 1064 CG LYS A 68 1.076 3.297 11.230 1.00 0.00 C ATOM 1065 CD LYS A 68 0.311 3.301 12.542 1.00 0.00 C ATOM 1066 CE LYS A 68 1.183 2.823 13.693 1.00 0.00 C ATOM 1067 NZ LYS A 68 0.449 2.830 14.988 1.00 0.00 N ATOM 0 H LYS A 68 -0.160 2.566 9.142 1.00 0.00 H new ATOM 0 HA LYS A 68 2.574 2.415 9.066 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.658 1.202 11.093 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.344 1.579 11.388 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.973 3.909 11.327 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.465 3.749 10.449 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.051 4.308 12.751 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.565 2.659 12.456 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.539 1.814 13.484 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.063 3.462 13.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.079 2.498 15.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.131 3.797 15.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.376 2.200 14.923 1.00 0.00 H new ATOM 1081 N GLY A 69 1.280 -0.486 8.473 1.00 0.00 N ATOM 1082 CA GLY A 69 1.643 -1.848 8.102 1.00 0.00 C ATOM 1083 C GLY A 69 2.971 -1.881 7.367 1.00 0.00 C ATOM 1084 O GLY A 69 3.893 -2.598 7.757 1.00 0.00 O ATOM 0 H GLY A 69 0.308 -0.234 8.295 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.704 -2.468 8.997 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.864 -2.276 7.471 1.00 0.00 H new ATOM 1088 N PHE A 70 3.056 -1.094 6.301 1.00 0.00 N ATOM 1089 CA PHE A 70 4.281 -0.983 5.529 1.00 0.00 C ATOM 1090 C PHE A 70 5.045 0.268 5.966 1.00 0.00 C ATOM 1091 O PHE A 70 6.252 0.236 6.202 1.00 0.00 O ATOM 1092 CB PHE A 70 3.997 -0.943 4.013 1.00 0.00 C ATOM 1093 CG PHE A 70 2.765 -0.168 3.604 1.00 0.00 C ATOM 1094 CD1 PHE A 70 1.502 -0.713 3.782 1.00 0.00 C ATOM 1095 CD2 PHE A 70 2.871 1.090 3.017 1.00 0.00 C ATOM 1096 CE1 PHE A 70 0.372 -0.022 3.391 1.00 0.00 C ATOM 1097 CE2 PHE A 70 1.737 1.785 2.619 1.00 0.00 C ATOM 1098 CZ PHE A 70 0.489 1.225 2.810 1.00 0.00 C ATOM 0 H PHE A 70 2.286 -0.522 5.953 1.00 0.00 H new ATOM 0 HA PHE A 70 4.889 -1.867 5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.862 -0.510 3.510 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.898 -1.967 3.652 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.401 -1.690 4.232 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.846 1.530 2.870 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.605 -0.458 3.540 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.830 2.759 2.162 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.396 1.763 2.505 1.00 0.00 H new ATOM 1108 N SER A 71 4.289 1.355 6.128 1.00 0.00 N ATOM 1109 CA SER A 71 4.819 2.669 6.499 1.00 0.00 C ATOM 1110 C SER A 71 5.309 2.750 7.944 1.00 0.00 C ATOM 1111 O SER A 71 5.713 3.820 8.392 1.00 0.00 O ATOM 1112 CB SER A 71 3.773 3.756 6.254 1.00 0.00 C ATOM 1113 OG SER A 71 2.639 3.571 7.079 1.00 0.00 O ATOM 0 H SER A 71 3.277 1.348 6.003 1.00 0.00 H new ATOM 0 HA SER A 71 5.689 2.828 5.861 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.211 4.735 6.447 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.470 3.743 5.207 1.00 0.00 H new ATOM 0 HG SER A 71 2.329 4.440 7.409 1.00 0.00 H new ATOM 1119 N SER A 72 5.253 1.652 8.693 1.00 0.00 N ATOM 1120 CA SER A 72 5.701 1.676 10.090 1.00 0.00 C ATOM 1121 C SER A 72 7.047 2.400 10.227 1.00 0.00 C ATOM 1122 O SER A 72 7.373 2.918 11.293 1.00 0.00 O ATOM 1123 CB SER A 72 5.823 0.250 10.635 1.00 0.00 C ATOM 1124 OG SER A 72 6.519 -0.586 9.729 1.00 0.00 O ATOM 0 H SER A 72 4.909 0.748 8.368 1.00 0.00 H new ATOM 0 HA SER A 72 4.956 2.220 10.670 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.344 0.267 11.592 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.829 -0.158 10.820 1.00 0.00 H new ATOM 0 HG SER A 72 6.584 -1.490 10.102 1.00 0.00 H new ATOM 1130 N ASP A 73 7.820 2.433 9.143 1.00 0.00 N ATOM 1131 CA ASP A 73 9.106 3.126 9.141 1.00 0.00 C ATOM 1132 C ASP A 73 8.947 4.554 8.616 1.00 0.00 C ATOM 1133 O ASP A 73 9.717 5.448 8.967 1.00 0.00 O ATOM 1134 CB ASP A 73 10.117 2.370 8.290 1.00 0.00 C ATOM 1135 CG ASP A 73 10.123 0.881 8.577 1.00 0.00 C ATOM 1136 OD1 ASP A 73 9.323 0.154 7.951 1.00 0.00 O ATOM 1137 OD2 ASP A 73 10.923 0.445 9.429 1.00 0.00 O ATOM 0 H ASP A 73 7.579 1.989 8.257 1.00 0.00 H new ATOM 0 HA ASP A 73 9.471 3.169 10.167 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.893 2.532 7.236 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.113 2.775 8.470 1.00 0.00 H new ATOM 1142 N ALA A 74 7.938 4.754 7.770 1.00 0.00 N ATOM 1143 CA ALA A 74 7.656 6.065 7.190 1.00 0.00 C ATOM 1144 C ALA A 74 6.615 6.824 8.015 1.00 0.00 C ATOM 1145 O ALA A 74 6.438 6.550 9.202 1.00 0.00 O ATOM 1146 CB ALA A 74 7.183 5.909 5.752 1.00 0.00 C ATOM 0 H ALA A 74 7.298 4.019 7.470 1.00 0.00 H new ATOM 0 HA ALA A 74 8.578 6.647 7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.975 6.892 5.329 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.959 5.418 5.165 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.275 5.306 5.731 1.00 0.00 H new ATOM 1152 N ARG A 75 5.927 7.777 7.384 1.00 0.00 N ATOM 1153 CA ARG A 75 4.910 8.567 8.072 1.00 0.00 C ATOM 1154 C ARG A 75 3.499 8.067 7.775 1.00 0.00 C ATOM 1155 O ARG A 75 2.936 7.290 8.546 1.00 0.00 O ATOM 1156 CB ARG A 75 5.029 10.044 7.687 1.00 0.00 C ATOM 1157 CG ARG A 75 6.308 10.703 8.179 1.00 0.00 C ATOM 1158 CD ARG A 75 6.363 12.172 7.791 1.00 0.00 C ATOM 1159 NE ARG A 75 7.587 12.818 8.253 1.00 0.00 N ATOM 1160 CZ ARG A 75 7.956 14.042 7.888 1.00 0.00 C ATOM 1161 NH1 ARG A 75 7.195 14.747 7.059 1.00 0.00 N ATOM 1162 NH2 ARG A 75 9.083 14.565 8.352 1.00 0.00 N ATOM 0 H ARG A 75 6.056 8.018 6.401 1.00 0.00 H new ATOM 0 HA ARG A 75 5.085 8.455 9.142 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.979 10.133 6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.173 10.586 8.090 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.373 10.609 9.263 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.170 10.183 7.762 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.293 12.263 6.707 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.500 12.690 8.211 1.00 0.00 H new ATOM 0 HE ARG A 75 8.193 12.302 8.891 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.326 14.350 6.702 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.479 15.686 6.780 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.669 14.028 8.991 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.363 15.504 8.070 1.00 0.00 H new ATOM 1176 N ASP A 76 2.929 8.516 6.660 1.00 0.00 N ATOM 1177 CA ASP A 76 1.576 8.116 6.288 1.00 0.00 C ATOM 1178 C ASP A 76 1.191 8.681 4.920 1.00 0.00 C ATOM 1179 O ASP A 76 2.035 9.212 4.196 1.00 0.00 O ATOM 1180 CB ASP A 76 0.588 8.596 7.352 1.00 0.00 C ATOM 1181 CG ASP A 76 0.421 10.104 7.350 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -0.348 10.614 6.507 1.00 0.00 O ATOM 1183 OD2 ASP A 76 1.056 10.773 8.189 1.00 0.00 O ATOM 0 H ASP A 76 3.380 9.153 6.003 1.00 0.00 H new ATOM 0 HA ASP A 76 1.543 7.028 6.224 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.381 8.126 7.182 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.931 8.273 8.335 1.00 0.00 H new ATOM 1188 N LEU A 77 -0.090 8.565 4.576 1.00 0.00 N ATOM 1189 CA LEU A 77 -0.595 9.055 3.295 1.00 0.00 C ATOM 1190 C LEU A 77 -1.363 10.365 3.481 1.00 0.00 C ATOM 1191 O LEU A 77 -2.151 10.506 4.415 1.00 0.00 O ATOM 1192 CB LEU A 77 -1.464 7.965 2.639 1.00 0.00 C ATOM 1193 CG LEU A 77 -2.986 8.117 2.744 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -3.556 8.588 1.420 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -3.614 6.796 3.149 1.00 0.00 C ATOM 0 H LEU A 77 -0.800 8.134 5.169 1.00 0.00 H new ATOM 0 HA LEU A 77 0.242 9.272 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.203 7.917 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.190 7.006 3.079 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.215 8.862 3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.638 8.693 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.118 9.551 1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.323 7.859 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.695 6.914 3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.381 6.038 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.218 6.486 4.116 1.00 0.00 H new ATOM 1207 N SER A 78 -1.120 11.320 2.591 1.00 0.00 N ATOM 1208 CA SER A 78 -1.787 12.613 2.663 1.00 0.00 C ATOM 1209 C SER A 78 -2.840 12.743 1.569 1.00 0.00 C ATOM 1210 O SER A 78 -3.118 11.788 0.844 1.00 0.00 O ATOM 1211 CB SER A 78 -0.766 13.744 2.541 1.00 0.00 C ATOM 1212 OG SER A 78 0.173 13.701 3.602 1.00 0.00 O ATOM 0 H SER A 78 -0.467 11.223 1.813 1.00 0.00 H new ATOM 0 HA SER A 78 -2.284 12.684 3.631 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.245 13.666 1.587 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.281 14.705 2.546 1.00 0.00 H new ATOM 0 HG SER A 78 0.816 14.434 3.500 1.00 0.00 H new ATOM 1218 N ALA A 79 -3.423 13.933 1.454 1.00 0.00 N ATOM 1219 CA ALA A 79 -4.444 14.191 0.447 1.00 0.00 C ATOM 1220 C ALA A 79 -3.992 13.706 -0.922 1.00 0.00 C ATOM 1221 O ALA A 79 -4.711 12.978 -1.609 1.00 0.00 O ATOM 1222 CB ALA A 79 -4.746 15.678 0.389 1.00 0.00 C ATOM 0 H ALA A 79 -3.205 14.734 2.047 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.346 13.646 0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.510 15.865 -0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.106 16.014 1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.839 16.224 0.130 1.00 0.00 H new ATOM 1228 N LYS A 80 -2.793 14.116 -1.311 1.00 0.00 N ATOM 1229 CA LYS A 80 -2.231 13.728 -2.595 1.00 0.00 C ATOM 1230 C LYS A 80 -2.297 12.215 -2.791 1.00 0.00 C ATOM 1231 O LYS A 80 -2.832 11.738 -3.790 1.00 0.00 O ATOM 1232 CB LYS A 80 -0.784 14.211 -2.709 1.00 0.00 C ATOM 1233 CG LYS A 80 -0.659 15.716 -2.882 1.00 0.00 C ATOM 1234 CD LYS A 80 0.796 16.150 -2.940 1.00 0.00 C ATOM 1235 CE LYS A 80 1.497 15.917 -1.613 1.00 0.00 C ATOM 1236 NZ LYS A 80 2.944 16.257 -1.681 1.00 0.00 N ATOM 0 H LYS A 80 -2.189 14.720 -0.753 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.826 14.198 -3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.237 13.909 -1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.309 13.715 -3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.168 16.022 -3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.158 16.221 -2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.311 15.599 -3.727 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.852 17.207 -3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.019 16.518 -0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.383 14.873 -1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.490 15.561 -1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.258 16.242 -2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.097 17.206 -1.284 1.00 0.00 H new ATOM 1250 N GLU A 81 -1.761 11.460 -1.833 1.00 0.00 N ATOM 1251 CA GLU A 81 -1.772 10.013 -1.925 1.00 0.00 C ATOM 1252 C GLU A 81 -3.167 9.461 -1.698 1.00 0.00 C ATOM 1253 O GLU A 81 -3.487 8.369 -2.157 1.00 0.00 O ATOM 1254 CB GLU A 81 -0.802 9.392 -0.932 1.00 0.00 C ATOM 1255 CG GLU A 81 0.430 10.237 -0.655 1.00 0.00 C ATOM 1256 CD GLU A 81 1.118 10.697 -1.925 1.00 0.00 C ATOM 1257 OE1 GLU A 81 1.861 9.891 -2.520 1.00 0.00 O ATOM 1258 OE2 GLU A 81 0.913 11.863 -2.321 1.00 0.00 O ATOM 0 H GLU A 81 -1.318 11.830 -0.992 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.453 9.750 -2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.325 9.214 0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.485 8.420 -1.310 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.144 11.108 -0.065 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.133 9.661 -0.053 1.00 0.00 H new ATOM 1265 N THR A 82 -4.005 10.189 -0.975 1.00 0.00 N ATOM 1266 CA THR A 82 -5.360 9.716 -0.768 1.00 0.00 C ATOM 1267 C THR A 82 -6.046 9.638 -2.120 1.00 0.00 C ATOM 1268 O THR A 82 -6.649 8.625 -2.475 1.00 0.00 O ATOM 1269 CB THR A 82 -6.162 10.647 0.158 1.00 0.00 C ATOM 1270 OG1 THR A 82 -5.529 10.730 1.441 1.00 0.00 O ATOM 1271 CG2 THR A 82 -7.585 10.142 0.321 1.00 0.00 C ATOM 0 H THR A 82 -3.779 11.081 -0.535 1.00 0.00 H new ATOM 0 HA THR A 82 -5.317 8.738 -0.288 1.00 0.00 H new ATOM 0 HB THR A 82 -6.191 11.639 -0.294 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.613 11.061 1.333 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.136 10.814 0.979 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.073 10.108 -0.653 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.569 9.142 0.754 1.00 0.00 H new ATOM 1279 N LYS A 83 -5.940 10.728 -2.867 1.00 0.00 N ATOM 1280 CA LYS A 83 -6.490 10.797 -4.207 1.00 0.00 C ATOM 1281 C LYS A 83 -5.610 10.044 -5.205 1.00 0.00 C ATOM 1282 O LYS A 83 -6.092 9.557 -6.222 1.00 0.00 O ATOM 1283 CB LYS A 83 -6.660 12.253 -4.647 1.00 0.00 C ATOM 1284 CG LYS A 83 -7.732 13.003 -3.869 1.00 0.00 C ATOM 1285 CD LYS A 83 -8.479 13.987 -4.755 1.00 0.00 C ATOM 1286 CE LYS A 83 -9.353 13.268 -5.770 1.00 0.00 C ATOM 1287 NZ LYS A 83 -9.961 14.209 -6.751 1.00 0.00 N ATOM 0 H LYS A 83 -5.473 11.582 -2.561 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.470 10.320 -4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.709 12.772 -4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.909 12.277 -5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.437 12.291 -3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.273 13.537 -3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.097 14.638 -4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.765 14.625 -5.275 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.756 12.527 -6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.143 12.727 -5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.549 13.677 -7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.552 14.901 -6.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.208 14.707 -7.267 1.00 0.00 H new ATOM 1301 N THR A 84 -4.304 9.976 -4.931 1.00 0.00 N ATOM 1302 CA THR A 84 -3.388 9.311 -5.849 1.00 0.00 C ATOM 1303 C THR A 84 -3.232 7.816 -5.581 1.00 0.00 C ATOM 1304 O THR A 84 -3.545 6.991 -6.433 1.00 0.00 O ATOM 1305 CB THR A 84 -1.994 9.966 -5.815 1.00 0.00 C ATOM 1306 OG1 THR A 84 -2.105 11.373 -6.070 1.00 0.00 O ATOM 1307 CG2 THR A 84 -1.074 9.335 -6.850 1.00 0.00 C ATOM 0 H THR A 84 -3.868 10.367 -4.096 1.00 0.00 H new ATOM 0 HA THR A 84 -3.839 9.427 -6.835 1.00 0.00 H new ATOM 0 HB THR A 84 -1.569 9.807 -4.824 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.108 11.860 -5.220 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.096 9.814 -6.807 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.967 8.271 -6.641 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.500 9.468 -7.845 1.00 0.00 H new ATOM 1315 N LEU A 85 -2.816 7.474 -4.373 1.00 0.00 N ATOM 1316 CA LEU A 85 -2.564 6.077 -4.020 1.00 0.00 C ATOM 1317 C LEU A 85 -3.838 5.260 -3.815 1.00 0.00 C ATOM 1318 O LEU A 85 -3.975 4.172 -4.378 1.00 0.00 O ATOM 1319 CB LEU A 85 -1.688 6.003 -2.765 1.00 0.00 C ATOM 1320 CG LEU A 85 -1.558 4.613 -2.136 1.00 0.00 C ATOM 1321 CD1 LEU A 85 -0.950 3.633 -3.126 1.00 0.00 C ATOM 1322 CD2 LEU A 85 -0.723 4.675 -0.863 1.00 0.00 C ATOM 0 H LEU A 85 -2.644 8.139 -3.619 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.045 5.633 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.691 6.364 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.095 6.685 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.556 4.262 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.866 2.651 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.588 3.563 -4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.040 3.981 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.643 3.677 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.273 5.050 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.201 5.343 -0.146 1.00 0.00 H new ATOM 1334 N MET A 86 -4.774 5.777 -3.032 1.00 0.00 N ATOM 1335 CA MET A 86 -6.005 5.036 -2.763 1.00 0.00 C ATOM 1336 C MET A 86 -6.954 5.059 -3.948 1.00 0.00 C ATOM 1337 O MET A 86 -7.369 4.014 -4.444 1.00 0.00 O ATOM 1338 CB MET A 86 -6.721 5.611 -1.540 1.00 0.00 C ATOM 1339 CG MET A 86 -5.776 6.020 -0.424 1.00 0.00 C ATOM 1340 SD MET A 86 -4.712 4.660 0.078 1.00 0.00 S ATOM 1341 CE MET A 86 -5.901 3.322 0.075 1.00 0.00 C ATOM 0 H MET A 86 -4.711 6.688 -2.578 1.00 0.00 H new ATOM 0 HA MET A 86 -5.716 4.002 -2.573 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.307 6.478 -1.846 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.423 4.870 -1.158 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.163 6.858 -0.755 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.353 6.366 0.433 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.475 2.455 0.580 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.805 3.637 0.596 1.00 0.00 H new ATOM 0 HE3 MET A 86 -6.148 3.057 -0.953 1.00 0.00 H new ATOM 1351 N ALA A 87 -7.256 6.254 -4.418 1.00 0.00 N ATOM 1352 CA ALA A 87 -8.175 6.428 -5.528 1.00 0.00 C ATOM 1353 C ALA A 87 -7.647 5.816 -6.828 1.00 0.00 C ATOM 1354 O ALA A 87 -8.440 5.464 -7.702 1.00 0.00 O ATOM 1355 CB ALA A 87 -8.515 7.900 -5.685 1.00 0.00 C ATOM 0 H ALA A 87 -6.876 7.124 -4.046 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.091 5.882 -5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.205 8.027 -6.519 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.981 8.265 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.603 8.465 -5.879 1.00 0.00 H new ATOM 1361 N ALA A 88 -6.319 5.678 -6.982 1.00 0.00 N ATOM 1362 CA ALA A 88 -5.788 5.086 -8.201 1.00 0.00 C ATOM 1363 C ALA A 88 -5.835 3.573 -8.087 1.00 0.00 C ATOM 1364 O ALA A 88 -6.155 2.872 -9.045 1.00 0.00 O ATOM 1365 CB ALA A 88 -4.371 5.554 -8.477 1.00 0.00 C ATOM 0 H ALA A 88 -5.620 5.961 -6.295 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.405 5.409 -9.039 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.007 5.092 -9.395 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.361 6.638 -8.588 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.725 5.269 -7.646 1.00 0.00 H new ATOM 1371 N GLY A 89 -5.514 3.083 -6.895 1.00 0.00 N ATOM 1372 CA GLY A 89 -5.537 1.661 -6.649 1.00 0.00 C ATOM 1373 C GLY A 89 -6.944 1.115 -6.654 1.00 0.00 C ATOM 1374 O GLY A 89 -7.205 0.027 -7.167 1.00 0.00 O ATOM 0 H GLY A 89 -5.238 3.651 -6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.946 1.151 -7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.069 1.451 -5.687 1.00 0.00 H new ATOM 1378 N ASP A 90 -7.856 1.892 -6.090 1.00 0.00 N ATOM 1379 CA ASP A 90 -9.260 1.519 -6.027 1.00 0.00 C ATOM 1380 C ASP A 90 -10.011 2.069 -7.229 1.00 0.00 C ATOM 1381 O ASP A 90 -11.131 2.548 -7.104 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.903 1.966 -4.712 1.00 0.00 C ATOM 1383 CG ASP A 90 -9.962 3.474 -4.546 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -10.395 4.164 -5.493 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -9.576 3.964 -3.465 1.00 0.00 O ATOM 0 H ASP A 90 -7.645 2.795 -5.665 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.321 0.431 -6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.914 1.563 -4.656 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.343 1.539 -3.880 1.00 0.00 H new ATOM 1390 N LYS A 91 -9.346 2.014 -8.386 1.00 0.00 N ATOM 1391 CA LYS A 91 -9.865 2.517 -9.653 1.00 0.00 C ATOM 1392 C LYS A 91 -11.387 2.434 -9.780 1.00 0.00 C ATOM 1393 O LYS A 91 -11.987 3.247 -10.481 1.00 0.00 O ATOM 1394 CB LYS A 91 -9.161 1.777 -10.794 1.00 0.00 C ATOM 1395 CG LYS A 91 -9.344 0.274 -10.768 1.00 0.00 C ATOM 1396 CD LYS A 91 -10.630 -0.130 -11.443 1.00 0.00 C ATOM 1397 CE LYS A 91 -11.015 -1.562 -11.108 1.00 0.00 C ATOM 1398 NZ LYS A 91 -12.319 -1.941 -11.720 1.00 0.00 N ATOM 0 H LYS A 91 -8.413 1.610 -8.466 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.648 3.584 -9.702 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.533 2.160 -11.744 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.095 2.002 -10.755 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.502 -0.206 -11.267 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.346 -0.077 -9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.430 0.543 -11.135 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.523 -0.025 -12.523 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.237 -2.240 -11.460 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.073 -1.679 -10.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.548 -2.924 -11.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.066 -1.310 -11.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.256 -1.853 -12.754 1.00 0.00 H new ATOM 1412 N ASP A 92 -12.026 1.474 -9.118 1.00 0.00 N ATOM 1413 CA ASP A 92 -13.480 1.385 -9.175 1.00 0.00 C ATOM 1414 C ASP A 92 -14.096 2.711 -8.709 1.00 0.00 C ATOM 1415 O ASP A 92 -15.247 3.015 -9.017 1.00 0.00 O ATOM 1416 CB ASP A 92 -13.985 0.235 -8.302 1.00 0.00 C ATOM 1417 CG ASP A 92 -15.471 -0.011 -8.472 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -16.271 0.777 -7.927 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -15.836 -0.992 -9.155 1.00 0.00 O ATOM 0 H ASP A 92 -11.571 0.761 -8.548 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.780 1.190 -10.205 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.438 -0.674 -8.552 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.774 0.457 -7.256 1.00 0.00 H new ATOM 1424 N GLY A 93 -13.313 3.491 -7.957 1.00 0.00 N ATOM 1425 CA GLY A 93 -13.761 4.788 -7.480 1.00 0.00 C ATOM 1426 C GLY A 93 -14.440 4.740 -6.126 1.00 0.00 C ATOM 1427 O GLY A 93 -15.026 5.731 -5.691 1.00 0.00 O ATOM 0 H GLY A 93 -12.367 3.240 -7.670 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.904 5.460 -7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.452 5.214 -8.208 1.00 0.00 H new ATOM 1431 N ASP A 94 -14.365 3.600 -5.450 1.00 0.00 N ATOM 1432 CA ASP A 94 -14.967 3.472 -4.129 1.00 0.00 C ATOM 1433 C ASP A 94 -14.162 4.249 -3.082 1.00 0.00 C ATOM 1434 O ASP A 94 -14.574 4.356 -1.929 1.00 0.00 O ATOM 1435 CB ASP A 94 -15.069 2.000 -3.720 1.00 0.00 C ATOM 1436 CG ASP A 94 -16.055 1.230 -4.575 1.00 0.00 C ATOM 1437 OD1 ASP A 94 -17.255 1.206 -4.224 1.00 0.00 O ATOM 1438 OD2 ASP A 94 -15.630 0.650 -5.595 1.00 0.00 O ATOM 0 H ASP A 94 -13.898 2.759 -5.790 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.971 3.894 -4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -14.086 1.536 -3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -15.371 1.936 -2.675 1.00 0.00 H new ATOM 1443 N GLY A 95 -13.012 4.793 -3.494 1.00 0.00 N ATOM 1444 CA GLY A 95 -12.173 5.546 -2.583 1.00 0.00 C ATOM 1445 C GLY A 95 -11.647 4.693 -1.458 1.00 0.00 C ATOM 1446 O GLY A 95 -11.317 5.194 -0.386 1.00 0.00 O ATOM 0 H GLY A 95 -12.651 4.722 -4.445 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.336 5.975 -3.133 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.743 6.378 -2.170 1.00 0.00 H new ATOM 1450 N LYS A 96 -11.565 3.394 -1.707 1.00 0.00 N ATOM 1451 CA LYS A 96 -11.070 2.464 -0.705 1.00 0.00 C ATOM 1452 C LYS A 96 -10.292 1.342 -1.356 1.00 0.00 C ATOM 1453 O LYS A 96 -10.691 0.810 -2.393 1.00 0.00 O ATOM 1454 CB LYS A 96 -12.243 1.892 0.098 1.00 0.00 C ATOM 1455 CG LYS A 96 -13.159 2.982 0.623 1.00 0.00 C ATOM 1456 CD LYS A 96 -14.384 2.422 1.319 1.00 0.00 C ATOM 1457 CE LYS A 96 -15.354 3.534 1.676 1.00 0.00 C ATOM 1458 NZ LYS A 96 -16.011 4.107 0.469 1.00 0.00 N ATOM 0 H LYS A 96 -11.834 2.962 -2.591 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.402 3.001 -0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.815 1.210 -0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.859 1.308 0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.606 3.614 1.318 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.474 3.618 -0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.877 1.697 0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.084 1.890 2.222 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -16.115 3.148 2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.822 4.322 2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.191 5.120 0.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.389 3.984 -0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.913 3.617 0.299 1.00 0.00 H new ATOM 1472 N ILE A 97 -9.193 0.968 -0.728 1.00 0.00 N ATOM 1473 CA ILE A 97 -8.373 -0.109 -1.233 1.00 0.00 C ATOM 1474 C ILE A 97 -8.555 -1.331 -0.355 1.00 0.00 C ATOM 1475 O ILE A 97 -8.155 -1.340 0.807 1.00 0.00 O ATOM 1476 CB ILE A 97 -6.870 0.275 -1.299 1.00 0.00 C ATOM 1477 CG1 ILE A 97 -6.615 1.257 -2.441 1.00 0.00 C ATOM 1478 CG2 ILE A 97 -5.992 -0.954 -1.483 1.00 0.00 C ATOM 1479 CD1 ILE A 97 -5.148 1.603 -2.608 1.00 0.00 C ATOM 0 H ILE A 97 -8.850 1.396 0.132 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.695 -0.323 -2.252 1.00 0.00 H new ATOM 0 HB ILE A 97 -6.613 0.748 -0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.990 0.830 -3.371 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.180 2.171 -2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.946 -0.651 -1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.139 -1.635 -0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.261 -1.458 -2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.031 2.304 -3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.775 2.058 -1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.582 0.696 -2.819 1.00 0.00 H new ATOM 1491 N GLY A 98 -9.169 -2.352 -0.919 1.00 0.00 N ATOM 1492 CA GLY A 98 -9.372 -3.575 -0.189 1.00 0.00 C ATOM 1493 C GLY A 98 -8.516 -4.681 -0.762 1.00 0.00 C ATOM 1494 O GLY A 98 -7.919 -4.514 -1.825 1.00 0.00 O ATOM 0 H GLY A 98 -9.531 -2.354 -1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.125 -3.423 0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.423 -3.861 -0.232 1.00 0.00 H new ATOM 1498 N VAL A 99 -8.448 -5.808 -0.074 1.00 0.00 N ATOM 1499 CA VAL A 99 -7.633 -6.929 -0.543 1.00 0.00 C ATOM 1500 C VAL A 99 -7.869 -7.202 -2.027 1.00 0.00 C ATOM 1501 O VAL A 99 -6.978 -7.669 -2.734 1.00 0.00 O ATOM 1502 CB VAL A 99 -7.928 -8.214 0.255 1.00 0.00 C ATOM 1503 CG1 VAL A 99 -9.363 -8.666 0.030 1.00 0.00 C ATOM 1504 CG2 VAL A 99 -6.952 -9.316 -0.129 1.00 0.00 C ATOM 0 H VAL A 99 -8.940 -5.976 0.804 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.592 -6.645 -0.389 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.801 -7.997 1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -9.552 -9.575 0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -10.047 -7.883 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.520 -8.865 -1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.175 -10.216 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.047 -9.531 -1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.934 -8.992 0.087 1.00 0.00 H new ATOM 1514 N GLU A 100 -9.078 -6.895 -2.491 1.00 0.00 N ATOM 1515 CA GLU A 100 -9.444 -7.104 -3.888 1.00 0.00 C ATOM 1516 C GLU A 100 -8.773 -6.095 -4.820 1.00 0.00 C ATOM 1517 O GLU A 100 -8.141 -6.474 -5.807 1.00 0.00 O ATOM 1518 CB GLU A 100 -10.959 -7.028 -4.053 1.00 0.00 C ATOM 1519 CG GLU A 100 -11.537 -5.702 -3.628 1.00 0.00 C ATOM 1520 CD GLU A 100 -13.052 -5.713 -3.575 1.00 0.00 C ATOM 1521 OE1 GLU A 100 -13.606 -6.041 -2.505 1.00 0.00 O ATOM 1522 OE2 GLU A 100 -13.683 -5.397 -4.604 1.00 0.00 O ATOM 0 H GLU A 100 -9.823 -6.499 -1.917 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.091 -8.097 -4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.214 -7.210 -5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.422 -7.823 -3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.145 -5.438 -2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.208 -4.928 -4.321 1.00 0.00 H new ATOM 1529 N GLU A 101 -8.912 -4.810 -4.501 1.00 0.00 N ATOM 1530 CA GLU A 101 -8.357 -3.743 -5.323 1.00 0.00 C ATOM 1531 C GLU A 101 -6.835 -3.645 -5.208 1.00 0.00 C ATOM 1532 O GLU A 101 -6.184 -3.105 -6.102 1.00 0.00 O ATOM 1533 CB GLU A 101 -9.024 -2.419 -4.963 1.00 0.00 C ATOM 1534 CG GLU A 101 -9.882 -1.866 -6.091 1.00 0.00 C ATOM 1535 CD GLU A 101 -10.821 -2.905 -6.671 1.00 0.00 C ATOM 1536 OE1 GLU A 101 -11.952 -3.037 -6.155 1.00 0.00 O ATOM 1537 OE2 GLU A 101 -10.428 -3.586 -7.640 1.00 0.00 O ATOM 0 H GLU A 101 -9.409 -4.483 -3.672 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.568 -3.981 -6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.643 -2.558 -4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.257 -1.689 -4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.464 -1.022 -5.720 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.235 -1.484 -6.881 1.00 0.00 H new ATOM 1544 N PHE A 102 -6.264 -4.144 -4.111 1.00 0.00 N ATOM 1545 CA PHE A 102 -4.809 -4.105 -3.934 1.00 0.00 C ATOM 1546 C PHE A 102 -4.122 -4.702 -5.158 1.00 0.00 C ATOM 1547 O PHE A 102 -3.017 -4.301 -5.532 1.00 0.00 O ATOM 1548 CB PHE A 102 -4.404 -4.866 -2.672 1.00 0.00 C ATOM 1549 CG PHE A 102 -3.243 -4.253 -1.941 1.00 0.00 C ATOM 1550 CD1 PHE A 102 -3.405 -3.114 -1.175 1.00 0.00 C ATOM 1551 CD2 PHE A 102 -1.996 -4.830 -2.013 1.00 0.00 C ATOM 1552 CE1 PHE A 102 -2.336 -2.558 -0.497 1.00 0.00 C ATOM 1553 CE2 PHE A 102 -0.919 -4.286 -1.335 1.00 0.00 C ATOM 1554 CZ PHE A 102 -1.090 -3.145 -0.577 1.00 0.00 C ATOM 0 H PHE A 102 -6.776 -4.574 -3.341 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.495 -3.067 -3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.260 -4.916 -1.999 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.151 -5.891 -2.943 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -4.379 -2.652 -1.105 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.856 -5.721 -2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.476 -1.665 0.094 1.00 0.00 H new ATOM 0 HE2 PHE A 102 0.053 -4.753 -1.399 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.252 -2.714 -0.049 1.00 0.00 H new ATOM 1564 N SER A 103 -4.785 -5.667 -5.782 1.00 0.00 N ATOM 1565 CA SER A 103 -4.259 -6.288 -6.985 1.00 0.00 C ATOM 1566 C SER A 103 -4.344 -5.291 -8.134 1.00 0.00 C ATOM 1567 O SER A 103 -3.517 -5.296 -9.048 1.00 0.00 O ATOM 1568 CB SER A 103 -5.048 -7.555 -7.325 1.00 0.00 C ATOM 1569 OG SER A 103 -6.390 -7.244 -7.657 1.00 0.00 O ATOM 0 H SER A 103 -5.685 -6.034 -5.474 1.00 0.00 H new ATOM 0 HA SER A 103 -3.219 -6.571 -6.820 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.573 -8.070 -8.160 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.029 -8.238 -6.476 1.00 0.00 H new ATOM 0 HG SER A 103 -6.793 -6.721 -6.933 1.00 0.00 H new ATOM 1575 N THR A 104 -5.360 -4.433 -8.066 1.00 0.00 N ATOM 1576 CA THR A 104 -5.579 -3.406 -9.071 1.00 0.00 C ATOM 1577 C THR A 104 -4.481 -2.348 -9.011 1.00 0.00 C ATOM 1578 O THR A 104 -3.896 -1.995 -10.033 1.00 0.00 O ATOM 1579 CB THR A 104 -6.954 -2.729 -8.879 1.00 0.00 C ATOM 1580 OG1 THR A 104 -7.934 -3.708 -8.518 1.00 0.00 O ATOM 1581 CG2 THR A 104 -7.394 -2.020 -10.152 1.00 0.00 C ATOM 0 H THR A 104 -6.049 -4.433 -7.314 1.00 0.00 H new ATOM 0 HA THR A 104 -5.556 -3.891 -10.047 1.00 0.00 H new ATOM 0 HB THR A 104 -6.860 -1.991 -8.082 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.777 -3.260 -8.294 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.365 -1.552 -9.991 1.00 0.00 H new ATOM 0 HG22 THR A 104 -6.662 -1.256 -10.415 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.471 -2.744 -10.964 1.00 0.00 H new ATOM 1589 N LEU A 105 -4.194 -1.855 -7.804 1.00 0.00 N ATOM 1590 CA LEU A 105 -3.155 -0.836 -7.631 1.00 0.00 C ATOM 1591 C LEU A 105 -1.811 -1.357 -8.116 1.00 0.00 C ATOM 1592 O LEU A 105 -1.035 -0.618 -8.722 1.00 0.00 O ATOM 1593 CB LEU A 105 -3.031 -0.346 -6.182 1.00 0.00 C ATOM 1594 CG LEU A 105 -3.678 -1.211 -5.107 1.00 0.00 C ATOM 1595 CD1 LEU A 105 -2.973 -1.025 -3.773 1.00 0.00 C ATOM 1596 CD2 LEU A 105 -5.153 -0.874 -4.986 1.00 0.00 C ATOM 0 H LEU A 105 -4.659 -2.140 -6.942 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.459 0.019 -8.235 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.971 -0.247 -5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.465 0.652 -6.122 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.582 -2.258 -5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.450 -1.651 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.926 -1.310 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.037 0.020 -3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.607 -1.497 -4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.265 0.176 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.648 -1.058 -5.940 1.00 0.00 H new ATOM 1608 N VAL A 106 -1.536 -2.634 -7.857 1.00 0.00 N ATOM 1609 CA VAL A 106 -0.283 -3.232 -8.296 1.00 0.00 C ATOM 1610 C VAL A 106 -0.105 -3.023 -9.797 1.00 0.00 C ATOM 1611 O VAL A 106 1.016 -2.934 -10.295 1.00 0.00 O ATOM 1612 CB VAL A 106 -0.223 -4.741 -7.967 1.00 0.00 C ATOM 1613 CG1 VAL A 106 1.039 -5.374 -8.539 1.00 0.00 C ATOM 1614 CG2 VAL A 106 -0.291 -4.960 -6.463 1.00 0.00 C ATOM 0 H VAL A 106 -2.157 -3.266 -7.351 1.00 0.00 H new ATOM 0 HA VAL A 106 0.527 -2.740 -7.757 1.00 0.00 H new ATOM 0 HB VAL A 106 -1.084 -5.223 -8.430 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.057 -6.436 -8.293 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.049 -5.252 -9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.916 -4.888 -8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.248 -6.028 -6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.550 -4.459 -5.984 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.225 -4.550 -6.077 1.00 0.00 H new ATOM 1624 N ALA A 107 -1.227 -2.948 -10.511 1.00 0.00 N ATOM 1625 CA ALA A 107 -1.204 -2.728 -11.952 1.00 0.00 C ATOM 1626 C ALA A 107 -0.994 -1.251 -12.260 1.00 0.00 C ATOM 1627 O ALA A 107 -0.312 -0.893 -13.221 1.00 0.00 O ATOM 1628 CB ALA A 107 -2.498 -3.221 -12.585 1.00 0.00 C ATOM 0 H ALA A 107 -2.162 -3.037 -10.113 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.373 -3.293 -12.375 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.465 -3.050 -13.661 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.615 -4.287 -12.391 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -3.342 -2.680 -12.157 1.00 0.00 H new ATOM 1634 N GLU A 108 -1.588 -0.395 -11.432 1.00 0.00 N ATOM 1635 CA GLU A 108 -1.470 1.048 -11.599 1.00 0.00 C ATOM 1636 C GLU A 108 -0.016 1.482 -11.561 1.00 0.00 C ATOM 1637 O GLU A 108 0.557 1.881 -12.576 1.00 0.00 O ATOM 1638 CB GLU A 108 -2.230 1.777 -10.494 1.00 0.00 C ATOM 1639 CG GLU A 108 -3.730 1.867 -10.735 1.00 0.00 C ATOM 1640 CD GLU A 108 -4.401 0.511 -10.782 1.00 0.00 C ATOM 1641 OE1 GLU A 108 -4.255 -0.187 -11.808 1.00 0.00 O ATOM 1642 OE2 GLU A 108 -5.071 0.144 -9.794 1.00 0.00 O ATOM 0 H GLU A 108 -2.158 -0.679 -10.635 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.896 1.303 -12.569 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.054 1.266 -9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.827 2.785 -10.393 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.185 2.465 -9.945 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.911 2.389 -11.674 1.00 0.00 H new ATOM 1649 N SER A 109 0.577 1.399 -10.376 1.00 0.00 N ATOM 1650 CA SER A 109 1.966 1.794 -10.187 1.00 0.00 C ATOM 1651 C SER A 109 2.862 1.213 -11.278 1.00 0.00 C ATOM 1652 O SER A 109 3.062 1.895 -12.304 1.00 0.00 O ATOM 1653 CB SER A 109 2.466 1.348 -8.815 1.00 0.00 C ATOM 1654 OG SER A 109 3.875 1.345 -8.783 1.00 0.00 O ATOM 1655 OXT SER A 109 3.356 0.079 -11.096 1.00 0.00 O ATOM 0 H SER A 109 0.116 1.061 -9.531 1.00 0.00 H new ATOM 0 HA SER A 109 2.011 2.881 -10.249 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.080 2.016 -8.045 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.089 0.351 -8.590 1.00 0.00 H new ATOM 0 HG SER A 109 4.192 2.119 -8.273 1.00 0.00 H new