USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 767 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 45 THR OG1 : rot 100:sc= -0.101 USER MOD Set 1.2: A 46 HIS : no HE2:sc= 0.479 K(o=0.69,f=-3.8!) USER MOD Set 1.3: A 77 ASN : amide:sc= 0.315 K(o=0.69,f=-0.45!) USER MOD Single : A 4 MET CE :methyl -174:sc= 0 (180deg=-0.033) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 172:sc= 0.627 (180deg=0.578) USER MOD Single : A 12 SER OG : rot 180:sc= 0.402 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= 0.651 (180deg=0.473) USER MOD Single : A 32 GLN : amide:sc= -0.493 K(o=-0.49,f=-1.2) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -0.0225 K(o=-0.022,f=-1.5) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 139:sc= 0.279 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 74:sc= 1.05 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -29:sc= 0.714 USER MOD Single : A 56 GLN : amide:sc= -0.0756 X(o=-0.076,f=-0.42) USER MOD Single : A 58 GLN : amide:sc= -0.0805 K(o=-0.08,f=-1.4!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 64 SER OG : rot 85:sc= 0.926 USER MOD Single : A 72 GLN : amide:sc= 0.354 X(o=0.35,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.0216 X(o=-0.022,f=-0.0076) USER MOD Single : A 79 THR OG1 : rot -82:sc= 0.932 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 9.031 14.091 7.121 1.00 25.00 N ATOM 2 CA MET A 4 7.769 14.183 6.336 1.00 25.00 C ATOM 3 C MET A 4 6.633 14.714 7.195 1.00 25.00 C ATOM 4 O MET A 4 5.943 15.644 6.777 1.00 25.00 O ATOM 5 CB MET A 4 7.401 12.834 5.713 1.00 25.00 C ATOM 6 CG MET A 4 6.219 12.907 4.748 1.00 25.00 C ATOM 7 SD MET A 4 5.825 11.306 4.012 1.00 25.00 S ATOM 8 CE MET A 4 7.197 11.052 2.844 1.00 25.00 C ATOM 0 HA MET A 4 7.936 14.888 5.522 1.00 25.00 H new ATOM 0 HB2 MET A 4 8.268 12.440 5.183 1.00 25.00 H new ATOM 0 HB3 MET A 4 7.166 12.128 6.509 1.00 25.00 H new ATOM 0 HG2 MET A 4 5.345 13.284 5.278 1.00 25.00 H new ATOM 0 HG3 MET A 4 6.445 13.621 3.956 1.00 25.00 H new ATOM 0 HE1 MET A 4 7.012 10.154 2.255 1.00 25.00 H new ATOM 0 HE2 MET A 4 7.273 11.913 2.179 1.00 25.00 H new ATOM 0 HE3 MET A 4 8.129 10.937 3.397 1.00 25.00 H new ATOM 18 N SER A 5 6.398 14.159 8.378 1.00 25.00 N ATOM 19 CA SER A 5 5.356 14.708 9.249 1.00 25.00 C ATOM 20 C SER A 5 5.737 16.098 9.752 1.00 25.00 C ATOM 21 O SER A 5 4.861 16.937 9.954 1.00 25.00 O ATOM 22 CB SER A 5 5.086 13.775 10.426 1.00 25.00 C ATOM 23 OG SER A 5 4.615 12.523 9.955 1.00 25.00 O ATOM 0 H SER A 5 6.897 13.352 8.752 1.00 25.00 H new ATOM 0 HA SER A 5 4.443 14.796 8.660 1.00 25.00 H new ATOM 0 HB2 SER A 5 5.998 13.635 11.006 1.00 25.00 H new ATOM 0 HB3 SER A 5 4.349 14.222 11.093 1.00 25.00 H new ATOM 0 HG SER A 5 4.446 11.930 10.716 1.00 25.00 H new ATOM 29 N ASP A 6 7.038 16.339 9.882 1.00 25.00 N ATOM 30 CA ASP A 6 7.638 17.669 10.073 1.00 25.00 C ATOM 31 C ASP A 6 7.124 18.366 11.337 1.00 25.00 C ATOM 32 O ASP A 6 6.920 19.586 11.383 1.00 25.00 O ATOM 33 CB ASP A 6 7.448 18.561 8.830 1.00 25.00 C ATOM 34 CG ASP A 6 8.116 18.005 7.573 1.00 25.00 C ATOM 35 OD1 ASP A 6 8.939 17.060 7.627 1.00 25.00 O ATOM 36 OD2 ASP A 6 7.854 18.565 6.483 1.00 25.00 O ATOM 0 H ASP A 6 7.733 15.593 9.857 1.00 25.00 H new ATOM 0 HA ASP A 6 8.707 17.509 10.210 1.00 25.00 H new ATOM 0 HB2 ASP A 6 6.382 18.685 8.641 1.00 25.00 H new ATOM 0 HB3 ASP A 6 7.852 19.552 9.038 1.00 25.00 H new ATOM 41 N GLN A 7 6.867 17.583 12.374 1.00 25.00 N ATOM 42 CA GLN A 7 6.342 18.116 13.630 1.00 25.00 C ATOM 43 C GLN A 7 7.509 18.687 14.435 1.00 25.00 C ATOM 44 O GLN A 7 8.655 18.254 14.268 1.00 25.00 O ATOM 45 CB GLN A 7 5.620 17.012 14.405 1.00 25.00 C ATOM 46 CG GLN A 7 4.442 16.421 13.629 1.00 25.00 C ATOM 47 CD GLN A 7 3.658 15.400 14.422 1.00 25.00 C ATOM 48 OE1 GLN A 7 4.213 14.469 15.000 1.00 25.00 O ATOM 49 NE2 GLN A 7 2.366 15.547 14.442 1.00 25.00 N ATOM 0 H GLN A 7 7.013 16.573 12.374 1.00 25.00 H new ATOM 0 HA GLN A 7 5.619 18.908 13.436 1.00 25.00 H new ATOM 0 HB2 GLN A 7 6.328 16.218 14.643 1.00 25.00 H new ATOM 0 HB3 GLN A 7 5.261 17.414 15.352 1.00 25.00 H new ATOM 0 HG2 GLN A 7 3.774 17.227 13.326 1.00 25.00 H new ATOM 0 HG3 GLN A 7 4.814 15.955 12.716 1.00 25.00 H new ATOM 0 HE21 GLN A 7 1.934 16.331 13.952 1.00 25.00 H new ATOM 0 HE22 GLN A 7 1.784 14.879 14.947 1.00 25.00 H new ATOM 58 N GLU A 8 7.243 19.664 15.290 1.00 25.00 N ATOM 59 CA GLU A 8 8.313 20.307 16.052 1.00 25.00 C ATOM 60 C GLU A 8 8.915 19.326 17.059 1.00 25.00 C ATOM 61 O GLU A 8 8.214 18.486 17.633 1.00 25.00 O ATOM 62 CB GLU A 8 7.812 21.553 16.792 1.00 25.00 C ATOM 63 CG GLU A 8 7.362 22.687 15.870 1.00 25.00 C ATOM 64 CD GLU A 8 7.150 24.001 16.617 1.00 25.00 C ATOM 65 OE1 GLU A 8 6.665 23.982 17.768 1.00 25.00 O ATOM 66 OE2 GLU A 8 7.473 25.085 16.078 1.00 25.00 O ATOM 0 H GLU A 8 6.308 20.028 15.475 1.00 25.00 H new ATOM 0 HA GLU A 8 9.077 20.616 15.339 1.00 25.00 H new ATOM 0 HB2 GLU A 8 6.979 21.270 17.436 1.00 25.00 H new ATOM 0 HB3 GLU A 8 8.606 21.921 17.442 1.00 25.00 H new ATOM 0 HG2 GLU A 8 8.108 22.833 15.089 1.00 25.00 H new ATOM 0 HG3 GLU A 8 6.434 22.401 15.375 1.00 25.00 H new ATOM 73 N ALA A 9 10.218 19.448 17.281 1.00 25.00 N ATOM 74 CA ALA A 9 10.954 18.603 18.220 1.00 25.00 C ATOM 75 C ALA A 9 10.858 19.142 19.652 1.00 25.00 C ATOM 76 O ALA A 9 11.278 18.492 20.610 1.00 25.00 O ATOM 77 CB ALA A 9 12.424 18.527 17.777 1.00 25.00 C ATOM 0 H ALA A 9 10.801 20.141 16.812 1.00 25.00 H new ATOM 0 HA ALA A 9 10.512 17.607 18.216 1.00 25.00 H new ATOM 0 HB1 ALA A 9 12.981 17.899 18.472 1.00 25.00 H new ATOM 0 HB2 ALA A 9 12.481 18.100 16.776 1.00 25.00 H new ATOM 0 HB3 ALA A 9 12.854 19.529 17.769 1.00 25.00 H new ATOM 83 N LYS A 10 10.339 20.357 19.757 1.00 25.00 N ATOM 84 CA LYS A 10 10.218 21.100 21.020 1.00 25.00 C ATOM 85 C LYS A 10 9.325 20.509 22.127 1.00 25.00 C ATOM 86 O LYS A 10 9.721 20.589 23.298 1.00 25.00 O ATOM 87 CB LYS A 10 9.703 22.514 20.706 1.00 25.00 C ATOM 88 CG LYS A 10 10.565 23.314 19.729 1.00 25.00 C ATOM 89 CD LYS A 10 9.834 24.573 19.298 1.00 25.00 C ATOM 90 CE LYS A 10 10.567 25.307 18.186 1.00 25.00 C ATOM 91 NZ LYS A 10 9.719 26.392 17.587 1.00 25.00 N ATOM 0 H LYS A 10 9.980 20.872 18.953 1.00 25.00 H new ATOM 0 HA LYS A 10 11.225 21.063 21.437 1.00 25.00 H new ATOM 0 HB2 LYS A 10 8.696 22.435 20.297 1.00 25.00 H new ATOM 0 HB3 LYS A 10 9.626 23.072 21.639 1.00 25.00 H new ATOM 0 HG2 LYS A 10 11.512 23.577 20.199 1.00 25.00 H new ATOM 0 HG3 LYS A 10 10.801 22.704 18.857 1.00 25.00 H new ATOM 0 HD2 LYS A 10 8.831 24.312 18.960 1.00 25.00 H new ATOM 0 HD3 LYS A 10 9.719 25.236 20.155 1.00 25.00 H new ATOM 0 HE2 LYS A 10 11.487 25.739 18.579 1.00 25.00 H new ATOM 0 HE3 LYS A 10 10.854 24.598 17.409 1.00 25.00 H new ATOM 0 HZ1 LYS A 10 10.293 26.958 16.929 1.00 25.00 H new ATOM 0 HZ2 LYS A 10 8.922 25.966 17.072 1.00 25.00 H new ATOM 0 HZ3 LYS A 10 9.354 27.005 18.344 1.00 25.00 H new ATOM 105 N PRO A 11 8.120 19.974 21.817 1.00 25.00 N ATOM 106 CA PRO A 11 7.336 19.495 22.968 1.00 25.00 C ATOM 107 C PRO A 11 7.940 18.316 23.725 1.00 25.00 C ATOM 108 O PRO A 11 8.747 17.559 23.189 1.00 25.00 O ATOM 109 CB PRO A 11 6.012 19.065 22.328 1.00 25.00 C ATOM 110 CG PRO A 11 5.943 19.817 21.068 1.00 25.00 C ATOM 111 CD PRO A 11 7.349 19.768 20.576 1.00 25.00 C ATOM 0 HA PRO A 11 7.267 20.278 23.724 1.00 25.00 H new ATOM 0 HB2 PRO A 11 5.990 17.990 22.149 1.00 25.00 H new ATOM 0 HB3 PRO A 11 5.166 19.298 22.975 1.00 25.00 H new ATOM 0 HG2 PRO A 11 5.251 19.359 20.361 1.00 25.00 H new ATOM 0 HG3 PRO A 11 5.605 20.841 21.226 1.00 25.00 H new ATOM 0 HD2 PRO A 11 7.583 18.813 20.105 1.00 25.00 H new ATOM 0 HD3 PRO A 11 7.550 20.545 19.838 1.00 25.00 H new ATOM 119 N SER A 12 7.525 18.142 24.971 1.00 25.00 N ATOM 120 CA SER A 12 8.076 17.116 25.858 1.00 25.00 C ATOM 121 C SER A 12 7.284 15.812 25.861 1.00 25.00 C ATOM 122 O SER A 12 7.496 14.951 26.724 1.00 25.00 O ATOM 123 CB SER A 12 8.038 17.682 27.270 1.00 25.00 C ATOM 124 OG SER A 12 6.691 17.970 27.596 1.00 25.00 O ATOM 0 H SER A 12 6.794 18.708 25.401 1.00 25.00 H new ATOM 0 HA SER A 12 9.079 16.878 25.505 1.00 25.00 H new ATOM 0 HB2 SER A 12 8.455 16.966 27.978 1.00 25.00 H new ATOM 0 HB3 SER A 12 8.646 18.585 27.334 1.00 25.00 H new ATOM 0 HG SER A 12 6.645 18.335 28.504 1.00 25.00 H new ATOM 130 N THR A 13 6.333 15.705 24.940 1.00 25.00 N ATOM 131 CA THR A 13 5.374 14.595 24.888 1.00 25.00 C ATOM 132 C THR A 13 4.566 14.626 26.189 1.00 25.00 C ATOM 133 O THR A 13 4.359 13.618 26.858 1.00 25.00 O ATOM 134 CB THR A 13 6.056 13.235 24.576 1.00 25.00 C ATOM 135 OG1 THR A 13 7.060 13.447 23.577 1.00 25.00 O ATOM 136 CG2 THR A 13 5.086 12.216 23.994 1.00 25.00 C ATOM 0 H THR A 13 6.200 16.392 24.198 1.00 25.00 H new ATOM 0 HA THR A 13 4.684 14.716 24.053 1.00 25.00 H new ATOM 0 HB THR A 13 6.457 12.856 25.516 1.00 25.00 H new ATOM 0 HG1 THR A 13 7.501 12.596 23.371 1.00 25.00 H new ATOM 0 HG21 THR A 13 5.614 11.284 23.794 1.00 25.00 H new ATOM 0 HG22 THR A 13 4.281 12.032 24.706 1.00 25.00 H new ATOM 0 HG23 THR A 13 4.667 12.602 23.065 1.00 25.00 H new ATOM 144 N GLU A 14 4.148 15.837 26.545 1.00 25.00 N ATOM 145 CA GLU A 14 3.388 16.143 27.766 1.00 25.00 C ATOM 146 C GLU A 14 4.090 15.666 29.044 1.00 25.00 C ATOM 147 O GLU A 14 3.449 15.203 29.991 1.00 25.00 O ATOM 148 CB GLU A 14 1.961 15.582 27.679 1.00 25.00 C ATOM 149 CG GLU A 14 1.162 16.084 26.488 1.00 25.00 C ATOM 150 CD GLU A 14 -0.195 15.417 26.406 1.00 25.00 C ATOM 151 OE1 GLU A 14 -1.130 15.819 27.127 1.00 25.00 O ATOM 152 OE2 GLU A 14 -0.348 14.458 25.614 1.00 25.00 O ATOM 0 H GLU A 14 4.332 16.664 25.977 1.00 25.00 H new ATOM 0 HA GLU A 14 3.332 17.230 27.832 1.00 25.00 H new ATOM 0 HB2 GLU A 14 2.013 14.494 27.634 1.00 25.00 H new ATOM 0 HB3 GLU A 14 1.426 15.838 28.594 1.00 25.00 H new ATOM 0 HG2 GLU A 14 1.033 17.164 26.564 1.00 25.00 H new ATOM 0 HG3 GLU A 14 1.718 15.893 25.570 1.00 25.00 H new ATOM 159 N ASP A 15 5.414 15.781 29.039 1.00 25.00 N ATOM 160 CA ASP A 15 6.308 15.340 30.118 1.00 25.00 C ATOM 161 C ASP A 15 6.154 13.845 30.399 1.00 25.00 C ATOM 162 O ASP A 15 5.958 13.396 31.538 1.00 25.00 O ATOM 163 CB ASP A 15 6.134 16.171 31.395 1.00 25.00 C ATOM 164 CG ASP A 15 7.262 15.953 32.390 1.00 25.00 C ATOM 165 OD1 ASP A 15 8.398 15.583 32.005 1.00 25.00 O ATOM 166 OD2 ASP A 15 7.029 16.141 33.605 1.00 25.00 O ATOM 0 H ASP A 15 5.918 16.199 28.257 1.00 25.00 H new ATOM 0 HA ASP A 15 7.327 15.508 29.769 1.00 25.00 H new ATOM 0 HB2 ASP A 15 6.084 17.228 31.133 1.00 25.00 H new ATOM 0 HB3 ASP A 15 5.185 15.914 31.865 1.00 25.00 H new ATOM 171 N LEU A 16 6.228 13.066 29.329 1.00 25.00 N ATOM 172 CA LEU A 16 6.117 11.611 29.412 1.00 25.00 C ATOM 173 C LEU A 16 7.196 11.042 30.332 1.00 25.00 C ATOM 174 O LEU A 16 8.368 11.416 30.250 1.00 25.00 O ATOM 175 CB LEU A 16 6.259 11.012 28.007 1.00 25.00 C ATOM 176 CG LEU A 16 6.023 9.508 27.806 1.00 25.00 C ATOM 177 CD1 LEU A 16 4.587 9.095 28.107 1.00 50.00 C ATOM 178 CD2 LEU A 16 6.357 9.128 26.371 1.00 50.00 C ATOM 0 H LEU A 16 6.366 13.419 28.382 1.00 25.00 H new ATOM 0 HA LEU A 16 5.142 11.352 29.825 1.00 25.00 H new ATOM 0 HB2 LEU A 16 5.567 11.543 27.353 1.00 25.00 H new ATOM 0 HB3 LEU A 16 7.266 11.236 27.655 1.00 25.00 H new ATOM 0 HG LEU A 16 6.672 8.984 28.508 1.00 25.00 H new ATOM 0 HD11 LEU A 16 4.476 8.022 27.949 1.00 50.00 H new ATOM 0 HD12 LEU A 16 4.349 9.335 29.143 1.00 50.00 H new ATOM 0 HD13 LEU A 16 3.908 9.632 27.445 1.00 50.00 H new ATOM 0 HD21 LEU A 16 6.189 8.060 26.229 1.00 50.00 H new ATOM 0 HD22 LEU A 16 5.719 9.690 25.688 1.00 50.00 H new ATOM 0 HD23 LEU A 16 7.402 9.362 26.167 1.00 50.00 H new ATOM 190 N GLY A 17 6.803 10.125 31.205 1.00 25.00 N ATOM 191 CA GLY A 17 7.711 9.513 32.166 1.00 25.00 C ATOM 192 C GLY A 17 8.444 8.301 31.628 1.00 25.00 C ATOM 193 O GLY A 17 8.668 7.330 32.353 1.00 25.00 O ATOM 0 H GLY A 17 5.844 9.784 31.267 1.00 25.00 H new ATOM 0 HA2 GLY A 17 8.442 10.256 32.485 1.00 25.00 H new ATOM 0 HA3 GLY A 17 7.146 9.221 33.051 1.00 25.00 H new ATOM 197 N ASP A 18 8.806 8.348 30.355 1.00 25.00 N ATOM 198 CA ASP A 18 9.482 7.236 29.687 1.00 25.00 C ATOM 199 C ASP A 18 10.839 6.968 30.335 1.00 25.00 C ATOM 200 O ASP A 18 11.677 7.867 30.438 1.00 25.00 O ATOM 201 CB ASP A 18 9.686 7.575 28.207 1.00 25.00 C ATOM 202 CG ASP A 18 10.169 6.388 27.388 1.00 25.00 C ATOM 203 OD1 ASP A 18 10.412 5.295 27.940 1.00 25.00 O ATOM 204 OD2 ASP A 18 10.279 6.536 26.152 1.00 25.00 O ATOM 0 H ASP A 18 8.642 9.155 29.753 1.00 25.00 H new ATOM 0 HA ASP A 18 8.863 6.344 29.781 1.00 25.00 H new ATOM 0 HB2 ASP A 18 8.747 7.939 27.790 1.00 25.00 H new ATOM 0 HB3 ASP A 18 10.409 8.387 28.122 1.00 25.00 H new ATOM 209 N LYS A 19 11.053 5.743 30.796 1.00 25.00 N ATOM 210 CA LYS A 19 12.325 5.365 31.417 1.00 25.00 C ATOM 211 C LYS A 19 13.456 5.167 30.408 1.00 25.00 C ATOM 212 O LYS A 19 14.628 5.161 30.797 1.00 25.00 O ATOM 213 CB LYS A 19 12.134 4.088 32.245 1.00 25.00 C ATOM 214 CG LYS A 19 11.244 4.304 33.469 1.00 25.00 C ATOM 215 CD LYS A 19 11.038 3.024 34.269 1.00 25.00 C ATOM 216 CE LYS A 19 10.151 3.299 35.480 1.00 25.00 C ATOM 217 NZ LYS A 19 9.834 2.061 36.260 1.00 25.00 N ATOM 0 H LYS A 19 10.365 4.991 30.754 1.00 25.00 H new ATOM 0 HA LYS A 19 12.623 6.195 32.058 1.00 25.00 H new ATOM 0 HB2 LYS A 19 11.696 3.314 31.615 1.00 25.00 H new ATOM 0 HB3 LYS A 19 13.108 3.722 32.570 1.00 25.00 H new ATOM 0 HG2 LYS A 19 11.691 5.063 34.111 1.00 25.00 H new ATOM 0 HG3 LYS A 19 10.276 4.689 33.148 1.00 25.00 H new ATOM 0 HD2 LYS A 19 10.580 2.262 33.639 1.00 25.00 H new ATOM 0 HD3 LYS A 19 12.001 2.631 34.596 1.00 25.00 H new ATOM 0 HE2 LYS A 19 10.647 4.017 36.133 1.00 25.00 H new ATOM 0 HE3 LYS A 19 9.222 3.761 35.147 1.00 25.00 H new ATOM 0 HZ1 LYS A 19 9.230 2.306 37.070 1.00 25.00 H new ATOM 0 HZ2 LYS A 19 9.335 1.384 35.648 1.00 25.00 H new ATOM 0 HZ3 LYS A 19 10.717 1.632 36.604 1.00 25.00 H new ATOM 231 N LYS A 20 13.127 4.995 29.132 1.00 25.00 N ATOM 232 CA LYS A 20 14.141 4.784 28.090 1.00 25.00 C ATOM 233 C LYS A 20 14.927 6.072 27.899 1.00 25.00 C ATOM 234 O LYS A 20 14.340 7.155 27.894 1.00 25.00 O ATOM 235 CB LYS A 20 13.488 4.395 26.760 1.00 25.00 C ATOM 236 CG LYS A 20 12.737 3.072 26.802 1.00 25.00 C ATOM 237 CD LYS A 20 12.062 2.770 25.472 1.00 25.00 C ATOM 238 CE LYS A 20 11.231 1.499 25.586 1.00 25.00 C ATOM 239 NZ LYS A 20 10.479 1.155 24.337 1.00 25.00 N ATOM 0 H LYS A 20 12.167 4.997 28.788 1.00 25.00 H new ATOM 0 HA LYS A 20 14.800 3.974 28.403 1.00 25.00 H new ATOM 0 HB2 LYS A 20 12.797 5.184 26.462 1.00 25.00 H new ATOM 0 HB3 LYS A 20 14.259 4.339 25.991 1.00 25.00 H new ATOM 0 HG2 LYS A 20 13.429 2.268 27.051 1.00 25.00 H new ATOM 0 HG3 LYS A 20 11.987 3.103 27.593 1.00 25.00 H new ATOM 0 HD2 LYS A 20 11.426 3.605 25.180 1.00 25.00 H new ATOM 0 HD3 LYS A 20 12.814 2.654 24.691 1.00 25.00 H new ATOM 0 HE2 LYS A 20 11.888 0.668 25.844 1.00 25.00 H new ATOM 0 HE3 LYS A 20 10.522 1.612 26.406 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 9.937 0.280 24.488 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 9.827 1.930 24.100 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 11.150 1.016 23.555 1.00 25.00 H new ATOM 253 N GLU A 21 16.242 5.937 27.786 1.00 25.00 N ATOM 254 CA GLU A 21 17.205 7.046 27.687 1.00 25.00 C ATOM 255 C GLU A 21 16.996 8.168 28.715 1.00 25.00 C ATOM 256 O GLU A 21 17.270 9.344 28.466 1.00 25.00 O ATOM 257 CB GLU A 21 17.398 7.561 26.246 1.00 25.00 C ATOM 258 CG GLU A 21 16.250 8.303 25.561 1.00 25.00 C ATOM 259 CD GLU A 21 16.651 8.800 24.181 1.00 25.00 C ATOM 260 OE1 GLU A 21 16.710 7.985 23.230 1.00 25.00 O ATOM 261 OE2 GLU A 21 16.940 10.010 24.024 1.00 25.00 O ATOM 0 H GLU A 21 16.692 5.022 27.759 1.00 25.00 H new ATOM 0 HA GLU A 21 18.158 6.600 27.970 1.00 25.00 H new ATOM 0 HB2 GLU A 21 18.263 8.224 26.247 1.00 25.00 H new ATOM 0 HB3 GLU A 21 17.654 6.704 25.623 1.00 25.00 H new ATOM 0 HG2 GLU A 21 15.388 7.641 25.474 1.00 25.00 H new ATOM 0 HG3 GLU A 21 15.942 9.148 26.178 1.00 25.00 H new ATOM 268 N GLY A 22 16.553 7.788 29.905 1.00 25.00 N ATOM 269 CA GLY A 22 16.411 8.726 31.008 1.00 25.00 C ATOM 270 C GLY A 22 17.735 8.932 31.717 1.00 25.00 C ATOM 271 O GLY A 22 17.920 9.892 32.469 1.00 25.00 O ATOM 0 H GLY A 22 16.284 6.830 30.131 1.00 25.00 H new ATOM 0 HA2 GLY A 22 16.042 9.681 30.633 1.00 25.00 H new ATOM 0 HA3 GLY A 22 15.670 8.353 31.715 1.00 25.00 H new ATOM 275 N GLU A 23 18.673 8.032 31.466 1.00 25.00 N ATOM 276 CA GLU A 23 20.018 8.070 32.039 1.00 25.00 C ATOM 277 C GLU A 23 21.007 8.272 30.889 1.00 25.00 C ATOM 278 O GLU A 23 20.683 7.989 29.726 1.00 25.00 O ATOM 279 CB GLU A 23 20.300 6.769 32.800 1.00 25.00 C ATOM 280 CG GLU A 23 19.544 6.627 34.125 1.00 25.00 C ATOM 281 CD GLU A 23 18.055 6.355 33.962 1.00 25.00 C ATOM 282 OE1 GLU A 23 17.661 5.327 33.365 1.00 25.00 O ATOM 283 OE2 GLU A 23 17.239 7.166 34.450 1.00 25.00 O ATOM 0 H GLU A 23 18.522 7.236 30.846 1.00 25.00 H new ATOM 0 HA GLU A 23 20.117 8.888 32.752 1.00 25.00 H new ATOM 0 HB2 GLU A 23 20.044 5.926 32.159 1.00 25.00 H new ATOM 0 HB3 GLU A 23 21.370 6.705 32.999 1.00 25.00 H new ATOM 0 HG2 GLU A 23 19.990 5.816 34.701 1.00 25.00 H new ATOM 0 HG3 GLU A 23 19.675 7.540 34.706 1.00 25.00 H new ATOM 290 N TYR A 24 22.184 8.800 31.189 1.00 25.00 N ATOM 291 CA TYR A 24 23.179 9.166 30.179 1.00 25.00 C ATOM 292 C TYR A 24 24.585 8.854 30.683 1.00 25.00 C ATOM 293 O TYR A 24 24.790 8.597 31.871 1.00 25.00 O ATOM 294 CB TYR A 24 23.076 10.663 29.852 1.00 25.00 C ATOM 295 CG TYR A 24 23.206 11.561 31.063 1.00 25.00 C ATOM 296 CD1 TYR A 24 24.474 11.947 31.548 1.00 25.00 C ATOM 297 CD2 TYR A 24 22.057 12.021 31.740 1.00 25.00 C ATOM 298 CE1 TYR A 24 24.590 12.761 32.705 1.00 25.00 C ATOM 299 CE2 TYR A 24 22.171 12.839 32.892 1.00 25.00 C ATOM 300 CZ TYR A 24 23.436 13.202 33.358 1.00 25.00 C ATOM 301 OH TYR A 24 23.530 14.015 34.453 1.00 25.00 O ATOM 0 H TYR A 24 22.483 8.990 32.146 1.00 25.00 H new ATOM 0 HA TYR A 24 22.984 8.585 29.278 1.00 25.00 H new ATOM 0 HB2 TYR A 24 23.853 10.923 29.133 1.00 25.00 H new ATOM 0 HB3 TYR A 24 22.118 10.855 29.369 1.00 25.00 H new ATOM 0 HD1 TYR A 24 25.365 11.620 31.033 1.00 25.00 H new ATOM 0 HD2 TYR A 24 21.078 11.746 31.376 1.00 25.00 H new ATOM 0 HE1 TYR A 24 25.565 13.038 33.079 1.00 25.00 H new ATOM 0 HE2 TYR A 24 21.284 13.179 33.406 1.00 25.00 H new ATOM 0 HH TYR A 24 22.631 14.227 34.781 1.00 25.00 H new ATOM 311 N ILE A 25 25.554 8.890 29.783 1.00 25.00 N ATOM 312 CA ILE A 25 26.961 8.678 30.105 1.00 25.00 C ATOM 313 C ILE A 25 27.747 9.908 29.659 1.00 25.00 C ATOM 314 O ILE A 25 27.332 10.627 28.744 1.00 25.00 O ATOM 315 CB ILE A 25 27.507 7.361 29.455 1.00 25.00 C ATOM 316 CG1 ILE A 25 27.445 7.399 27.913 1.00 25.00 C ATOM 317 CG2 ILE A 25 26.722 6.149 29.996 1.00 25.00 C ATOM 318 CD1 ILE A 25 28.150 6.237 27.204 1.00 25.00 C ATOM 0 H ILE A 25 25.386 9.070 28.793 1.00 25.00 H new ATOM 0 HA ILE A 25 27.078 8.550 31.181 1.00 25.00 H new ATOM 0 HB ILE A 25 28.558 7.268 29.728 1.00 25.00 H new ATOM 0 HG12 ILE A 25 26.399 7.409 27.607 1.00 25.00 H new ATOM 0 HG13 ILE A 25 27.887 8.335 27.570 1.00 25.00 H new ATOM 0 HG21 ILE A 25 27.105 5.235 29.541 1.00 25.00 H new ATOM 0 HG22 ILE A 25 26.840 6.093 31.078 1.00 25.00 H new ATOM 0 HG23 ILE A 25 25.666 6.261 29.751 1.00 25.00 H new ATOM 0 HD11 ILE A 25 28.050 6.355 26.125 1.00 25.00 H new ATOM 0 HD12 ILE A 25 29.206 6.234 27.472 1.00 25.00 H new ATOM 0 HD13 ILE A 25 27.696 5.295 27.510 1.00 25.00 H new ATOM 330 N LYS A 26 28.886 10.138 30.301 1.00 25.00 N ATOM 331 CA LYS A 26 29.801 11.248 29.994 1.00 25.00 C ATOM 332 C LYS A 26 31.180 10.672 29.687 1.00 25.00 C ATOM 333 O LYS A 26 32.207 11.344 29.809 1.00 25.00 O ATOM 334 CB LYS A 26 29.897 12.228 31.165 1.00 25.00 C ATOM 335 CG LYS A 26 28.589 12.922 31.518 1.00 25.00 C ATOM 336 CD LYS A 26 28.812 14.127 32.439 1.00 25.00 C ATOM 337 CE LYS A 26 29.243 13.740 33.852 1.00 25.00 C ATOM 338 NZ LYS A 26 29.474 14.947 34.717 1.00 25.00 N ATOM 0 H LYS A 26 29.213 9.549 31.067 1.00 25.00 H new ATOM 0 HA LYS A 26 29.417 11.796 29.133 1.00 25.00 H new ATOM 0 HB2 LYS A 26 30.257 11.691 32.043 1.00 25.00 H new ATOM 0 HB3 LYS A 26 30.643 12.986 30.927 1.00 25.00 H new ATOM 0 HG2 LYS A 26 28.094 13.250 30.604 1.00 25.00 H new ATOM 0 HG3 LYS A 26 27.921 12.212 32.005 1.00 25.00 H new ATOM 0 HD2 LYS A 26 29.571 14.774 32.000 1.00 25.00 H new ATOM 0 HD3 LYS A 26 27.891 14.708 32.494 1.00 25.00 H new ATOM 0 HE2 LYS A 26 28.478 13.109 34.305 1.00 25.00 H new ATOM 0 HE3 LYS A 26 30.157 13.148 33.804 1.00 25.00 H new ATOM 0 HZ1 LYS A 26 29.765 14.642 35.668 1.00 25.00 H new ATOM 0 HZ2 LYS A 26 30.222 15.536 34.298 1.00 25.00 H new ATOM 0 HZ3 LYS A 26 28.595 15.499 34.784 1.00 25.00 H new ATOM 352 N LEU A 27 31.169 9.391 29.350 1.00 25.00 N ATOM 353 CA LEU A 27 32.368 8.581 29.145 1.00 25.00 C ATOM 354 C LEU A 27 33.239 9.239 28.083 1.00 25.00 C ATOM 355 O LEU A 27 32.754 9.571 26.996 1.00 25.00 O ATOM 356 CB LEU A 27 31.908 7.180 28.724 1.00 25.00 C ATOM 357 CG LEU A 27 32.886 6.002 28.626 1.00 25.00 C ATOM 358 CD1 LEU A 27 32.062 4.722 28.505 1.00 50.00 C ATOM 359 CD2 LEU A 27 33.895 6.049 27.474 1.00 50.00 C ATOM 0 H LEU A 27 30.304 8.869 29.207 1.00 25.00 H new ATOM 0 HA LEU A 27 32.967 8.502 30.052 1.00 25.00 H new ATOM 0 HB2 LEU A 27 31.125 6.882 29.422 1.00 25.00 H new ATOM 0 HB3 LEU A 27 31.440 7.283 27.745 1.00 25.00 H new ATOM 0 HG LEU A 27 33.496 6.049 29.528 1.00 25.00 H new ATOM 0 HD11 LEU A 27 32.731 3.864 28.433 1.00 50.00 H new ATOM 0 HD12 LEU A 27 31.426 4.614 29.384 1.00 50.00 H new ATOM 0 HD13 LEU A 27 31.440 4.773 27.611 1.00 50.00 H new ATOM 0 HD21 LEU A 27 34.530 5.164 27.510 1.00 50.00 H new ATOM 0 HD22 LEU A 27 33.361 6.074 26.524 1.00 50.00 H new ATOM 0 HD23 LEU A 27 34.512 6.943 27.567 1.00 50.00 H new ATOM 371 N LYS A 28 34.493 9.510 28.415 1.00 25.00 N ATOM 372 CA LYS A 28 35.325 10.341 27.546 1.00 25.00 C ATOM 373 C LYS A 28 35.907 9.586 26.370 1.00 25.00 C ATOM 374 O LYS A 28 36.413 8.477 26.509 1.00 25.00 O ATOM 375 CB LYS A 28 36.470 10.990 28.323 1.00 25.00 C ATOM 376 CG LYS A 28 36.010 12.041 29.319 1.00 25.00 C ATOM 377 CD LYS A 28 37.202 12.706 29.982 1.00 25.00 C ATOM 378 CE LYS A 28 36.757 13.753 30.994 1.00 25.00 C ATOM 379 NZ LYS A 28 37.946 14.488 31.526 1.00 25.00 N ATOM 0 H LYS A 28 34.953 9.176 29.262 1.00 25.00 H new ATOM 0 HA LYS A 28 34.653 11.106 27.158 1.00 25.00 H new ATOM 0 HB2 LYS A 28 37.023 10.215 28.854 1.00 25.00 H new ATOM 0 HB3 LYS A 28 37.163 11.449 27.617 1.00 25.00 H new ATOM 0 HG2 LYS A 28 35.404 12.791 28.811 1.00 25.00 H new ATOM 0 HG3 LYS A 28 35.376 11.580 30.076 1.00 25.00 H new ATOM 0 HD2 LYS A 28 37.812 11.952 30.479 1.00 25.00 H new ATOM 0 HD3 LYS A 28 37.829 13.174 29.223 1.00 25.00 H new ATOM 0 HE2 LYS A 28 36.066 14.454 30.525 1.00 25.00 H new ATOM 0 HE3 LYS A 28 36.219 13.274 31.812 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 37.628 15.317 32.068 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 38.495 13.858 32.146 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 38.543 14.801 30.734 1.00 25.00 H new ATOM 393 N VAL A 29 35.886 10.243 25.224 1.00 25.00 N ATOM 394 CA VAL A 29 36.543 9.744 24.019 1.00 25.00 C ATOM 395 C VAL A 29 37.553 10.828 23.689 1.00 25.00 C ATOM 396 O VAL A 29 37.172 11.975 23.494 1.00 25.00 O ATOM 397 CB VAL A 29 35.539 9.538 22.847 1.00 25.00 C ATOM 398 CG1 VAL A 29 36.251 8.996 21.597 1.00 50.00 C ATOM 399 CG2 VAL A 29 34.401 8.591 23.265 1.00 50.00 C ATOM 0 H VAL A 29 35.414 11.138 25.098 1.00 25.00 H new ATOM 0 HA VAL A 29 36.998 8.765 24.173 1.00 25.00 H new ATOM 0 HB VAL A 29 35.111 10.510 22.601 1.00 25.00 H new ATOM 0 HG11 VAL A 29 35.526 8.862 20.795 1.00 50.00 H new ATOM 0 HG12 VAL A 29 37.017 9.703 21.279 1.00 50.00 H new ATOM 0 HG13 VAL A 29 36.716 8.038 21.830 1.00 50.00 H new ATOM 0 HG21 VAL A 29 33.711 8.461 22.431 1.00 50.00 H new ATOM 0 HG22 VAL A 29 34.817 7.624 23.546 1.00 50.00 H new ATOM 0 HG23 VAL A 29 33.867 9.017 24.115 1.00 50.00 H new ATOM 409 N ILE A 30 38.837 10.519 23.709 1.00 25.00 N ATOM 410 CA ILE A 30 39.861 11.508 23.383 1.00 25.00 C ATOM 411 C ILE A 30 40.108 11.369 21.885 1.00 25.00 C ATOM 412 O ILE A 30 40.371 10.270 21.389 1.00 25.00 O ATOM 413 CB ILE A 30 41.155 11.299 24.212 1.00 25.00 C ATOM 414 CG1 ILE A 30 40.836 11.392 25.717 1.00 25.00 C ATOM 415 CG2 ILE A 30 42.228 12.338 23.815 1.00 25.00 C ATOM 416 CD1 ILE A 30 41.988 11.005 26.642 1.00 25.00 C ATOM 0 H ILE A 30 39.200 9.596 23.946 1.00 25.00 H new ATOM 0 HA ILE A 30 39.531 12.516 23.634 1.00 25.00 H new ATOM 0 HB ILE A 30 41.552 10.306 24.000 1.00 25.00 H new ATOM 0 HG12 ILE A 30 40.532 12.413 25.947 1.00 25.00 H new ATOM 0 HG13 ILE A 30 39.983 10.749 25.934 1.00 25.00 H new ATOM 0 HG21 ILE A 30 43.129 12.175 24.407 1.00 25.00 H new ATOM 0 HG22 ILE A 30 42.465 12.230 22.757 1.00 25.00 H new ATOM 0 HG23 ILE A 30 41.848 13.343 24.001 1.00 25.00 H new ATOM 0 HD11 ILE A 30 41.669 11.102 27.680 1.00 25.00 H new ATOM 0 HD12 ILE A 30 42.281 9.973 26.447 1.00 25.00 H new ATOM 0 HD13 ILE A 30 42.837 11.664 26.460 1.00 25.00 H new ATOM 428 N GLY A 31 39.973 12.479 21.172 1.00 25.00 N ATOM 429 CA GLY A 31 40.113 12.488 19.726 1.00 25.00 C ATOM 430 C GLY A 31 41.550 12.568 19.243 1.00 25.00 C ATOM 431 O GLY A 31 42.500 12.488 20.025 1.00 25.00 O ATOM 0 H GLY A 31 39.765 13.391 21.578 1.00 25.00 H new ATOM 0 HA2 GLY A 31 39.655 11.585 19.322 1.00 25.00 H new ATOM 0 HA3 GLY A 31 39.558 13.335 19.323 1.00 25.00 H new ATOM 435 N GLN A 32 41.723 12.723 17.937 1.00 25.00 N ATOM 436 CA GLN A 32 43.045 12.699 17.308 1.00 25.00 C ATOM 437 C GLN A 32 43.877 13.906 17.735 1.00 25.00 C ATOM 438 O GLN A 32 45.085 13.809 17.924 1.00 25.00 O ATOM 439 CB GLN A 32 42.862 12.683 15.783 1.00 25.00 C ATOM 440 CG GLN A 32 44.114 12.364 14.951 1.00 25.00 C ATOM 441 CD GLN A 32 45.092 13.522 14.815 1.00 25.00 C ATOM 442 OE1 GLN A 32 44.708 14.687 14.758 1.00 25.00 O ATOM 443 NE2 GLN A 32 46.359 13.211 14.743 1.00 25.00 N ATOM 0 H GLN A 32 40.955 12.869 17.282 1.00 25.00 H new ATOM 0 HA GLN A 32 43.581 11.805 17.626 1.00 25.00 H new ATOM 0 HB2 GLN A 32 42.093 11.951 15.538 1.00 25.00 H new ATOM 0 HB3 GLN A 32 42.484 13.657 15.473 1.00 25.00 H new ATOM 0 HG2 GLN A 32 44.631 11.519 15.405 1.00 25.00 H new ATOM 0 HG3 GLN A 32 43.803 12.049 13.955 1.00 25.00 H new ATOM 0 HE21 GLN A 32 46.648 12.234 14.793 1.00 25.00 H new ATOM 0 HE22 GLN A 32 47.059 13.945 14.637 1.00 25.00 H new ATOM 452 N ASP A 33 43.216 15.036 17.937 1.00 25.00 N ATOM 453 CA ASP A 33 43.884 16.293 18.287 1.00 25.00 C ATOM 454 C ASP A 33 44.033 16.445 19.803 1.00 25.00 C ATOM 455 O ASP A 33 44.297 17.532 20.325 1.00 25.00 O ATOM 456 CB ASP A 33 43.065 17.452 17.717 1.00 25.00 C ATOM 457 CG ASP A 33 43.897 18.689 17.454 1.00 25.00 C ATOM 458 OD1 ASP A 33 44.932 18.586 16.759 1.00 25.00 O ATOM 459 OD2 ASP A 33 43.496 19.801 17.863 1.00 25.00 O ATOM 0 H ASP A 33 42.202 15.114 17.864 1.00 25.00 H new ATOM 0 HA ASP A 33 44.888 16.293 17.862 1.00 25.00 H new ATOM 0 HB2 ASP A 33 42.593 17.134 16.788 1.00 25.00 H new ATOM 0 HB3 ASP A 33 42.264 17.701 18.413 1.00 25.00 H new ATOM 464 N SER A 34 43.808 15.330 20.491 1.00 25.00 N ATOM 465 CA SER A 34 43.802 15.192 21.952 1.00 25.00 C ATOM 466 C SER A 34 42.717 15.979 22.682 1.00 25.00 C ATOM 467 O SER A 34 42.762 16.126 23.907 1.00 25.00 O ATOM 468 CB SER A 34 45.171 15.500 22.564 1.00 25.00 C ATOM 469 OG SER A 34 46.174 14.672 21.995 1.00 25.00 O ATOM 0 H SER A 34 43.613 14.446 20.022 1.00 25.00 H new ATOM 0 HA SER A 34 43.559 14.140 22.104 1.00 25.00 H new ATOM 0 HB2 SER A 34 45.421 16.548 22.399 1.00 25.00 H new ATOM 0 HB3 SER A 34 45.135 15.347 23.643 1.00 25.00 H new ATOM 0 HG SER A 34 47.042 14.885 22.398 1.00 25.00 H new ATOM 475 N SER A 35 41.714 16.463 21.964 1.00 25.00 N ATOM 476 CA SER A 35 40.586 17.123 22.614 1.00 25.00 C ATOM 477 C SER A 35 39.638 16.030 23.104 1.00 25.00 C ATOM 478 O SER A 35 39.326 15.099 22.357 1.00 25.00 O ATOM 479 CB SER A 35 39.863 18.037 21.628 1.00 25.00 C ATOM 480 OG SER A 35 40.735 19.023 21.095 1.00 25.00 O ATOM 0 H SER A 35 41.655 16.414 20.947 1.00 25.00 H new ATOM 0 HA SER A 35 40.933 17.737 23.445 1.00 25.00 H new ATOM 0 HB2 SER A 35 39.447 17.441 20.816 1.00 25.00 H new ATOM 0 HB3 SER A 35 39.025 18.523 22.128 1.00 25.00 H new ATOM 0 HG SER A 35 40.242 19.590 20.466 1.00 25.00 H new ATOM 486 N GLU A 36 39.194 16.093 24.349 1.00 25.00 N ATOM 487 CA GLU A 36 38.238 15.104 24.849 1.00 25.00 C ATOM 488 C GLU A 36 36.812 15.440 24.406 1.00 25.00 C ATOM 489 O GLU A 36 36.436 16.610 24.268 1.00 25.00 O ATOM 490 CB GLU A 36 38.321 14.995 26.378 1.00 25.00 C ATOM 491 CG GLU A 36 37.802 16.211 27.147 1.00 25.00 C ATOM 492 CD GLU A 36 38.098 16.149 28.636 1.00 25.00 C ATOM 493 OE1 GLU A 36 39.119 15.553 29.043 1.00 25.00 O ATOM 494 OE2 GLU A 36 37.304 16.693 29.435 1.00 25.00 O ATOM 0 H GLU A 36 39.471 16.804 25.026 1.00 25.00 H new ATOM 0 HA GLU A 36 38.501 14.137 24.421 1.00 25.00 H new ATOM 0 HB2 GLU A 36 37.758 14.117 26.695 1.00 25.00 H new ATOM 0 HB3 GLU A 36 39.361 14.825 26.658 1.00 25.00 H new ATOM 0 HG2 GLU A 36 38.250 17.114 26.731 1.00 25.00 H new ATOM 0 HG3 GLU A 36 36.725 16.293 27.000 1.00 25.00 H new ATOM 501 N ILE A 37 36.012 14.410 24.195 1.00 25.00 N ATOM 502 CA ILE A 37 34.576 14.519 23.965 1.00 25.00 C ATOM 503 C ILE A 37 33.991 14.030 25.285 1.00 25.00 C ATOM 504 O ILE A 37 34.346 12.940 25.737 1.00 25.00 O ATOM 505 CB ILE A 37 34.112 13.609 22.790 1.00 25.00 C ATOM 506 CG1 ILE A 37 34.853 13.994 21.492 1.00 25.00 C ATOM 507 CG2 ILE A 37 32.579 13.700 22.606 1.00 25.00 C ATOM 508 CD1 ILE A 37 34.695 13.011 20.324 1.00 25.00 C ATOM 0 H ILE A 37 36.349 13.447 24.178 1.00 25.00 H new ATOM 0 HA ILE A 37 34.265 15.526 23.689 1.00 25.00 H new ATOM 0 HB ILE A 37 34.359 12.574 23.028 1.00 25.00 H new ATOM 0 HG12 ILE A 37 34.500 14.974 21.170 1.00 25.00 H new ATOM 0 HG13 ILE A 37 35.915 14.096 21.717 1.00 25.00 H new ATOM 0 HG21 ILE A 37 32.273 13.057 21.780 1.00 25.00 H new ATOM 0 HG22 ILE A 37 32.083 13.376 23.521 1.00 25.00 H new ATOM 0 HG23 ILE A 37 32.299 14.730 22.387 1.00 25.00 H new ATOM 0 HD11 ILE A 37 35.255 13.376 19.463 1.00 25.00 H new ATOM 0 HD12 ILE A 37 35.077 12.033 20.617 1.00 25.00 H new ATOM 0 HD13 ILE A 37 33.641 12.925 20.061 1.00 25.00 H new ATOM 520 N HIS A 38 33.150 14.830 25.925 1.00 25.00 N ATOM 521 CA HIS A 38 32.647 14.561 27.281 1.00 25.00 C ATOM 522 C HIS A 38 31.128 14.789 27.372 1.00 25.00 C ATOM 523 O HIS A 38 30.520 14.700 28.438 1.00 25.00 O ATOM 524 CB HIS A 38 33.450 15.472 28.226 1.00 25.00 C ATOM 525 CG HIS A 38 33.156 15.298 29.686 1.00 25.00 C ATOM 526 ND1 HIS A 38 33.111 14.071 30.344 1.00 25.00 N ATOM 527 CD2 HIS A 38 32.905 16.217 30.652 1.00 25.00 C ATOM 528 CE1 HIS A 38 32.911 14.283 31.636 1.00 25.00 C ATOM 529 NE2 HIS A 38 32.758 15.566 31.842 1.00 25.00 N ATOM 0 H HIS A 38 32.789 15.694 25.521 1.00 25.00 H new ATOM 0 HA HIS A 38 32.787 13.517 27.562 1.00 25.00 H new ATOM 0 HB2 HIS A 38 34.512 15.292 28.062 1.00 25.00 H new ATOM 0 HB3 HIS A 38 33.257 16.510 27.954 1.00 25.00 H new ATOM 0 HD1 HIS A 38 33.215 13.157 29.902 1.00 25.00 H new ATOM 0 HD2 HIS A 38 32.834 17.284 30.504 1.00 25.00 H new ATOM 0 HE1 HIS A 38 32.879 13.519 32.398 1.00 25.00 H new ATOM 538 N PHE A 39 30.517 15.096 26.235 1.00 25.00 N ATOM 539 CA PHE A 39 29.097 15.440 26.167 1.00 25.00 C ATOM 540 C PHE A 39 28.165 14.324 26.656 1.00 25.00 C ATOM 541 O PHE A 39 28.418 13.137 26.402 1.00 25.00 O ATOM 542 CB PHE A 39 28.755 15.809 24.718 1.00 25.00 C ATOM 543 CG PHE A 39 27.459 16.553 24.571 1.00 25.00 C ATOM 544 CD1 PHE A 39 27.423 17.946 24.767 1.00 25.00 C ATOM 545 CD2 PHE A 39 26.270 15.877 24.247 1.00 25.00 C ATOM 546 CE1 PHE A 39 26.203 18.660 24.681 1.00 25.00 C ATOM 547 CE2 PHE A 39 25.044 16.576 24.153 1.00 25.00 C ATOM 548 CZ PHE A 39 25.008 17.970 24.384 1.00 25.00 C ATOM 0 H PHE A 39 30.990 15.114 25.331 1.00 25.00 H new ATOM 0 HA PHE A 39 28.934 16.281 26.841 1.00 25.00 H new ATOM 0 HB2 PHE A 39 29.561 16.418 24.308 1.00 25.00 H new ATOM 0 HB3 PHE A 39 28.709 14.897 24.122 1.00 25.00 H new ATOM 0 HD1 PHE A 39 28.337 18.477 24.986 1.00 25.00 H new ATOM 0 HD2 PHE A 39 26.293 14.812 24.068 1.00 25.00 H new ATOM 0 HE1 PHE A 39 26.187 19.728 24.842 1.00 25.00 H new ATOM 0 HE2 PHE A 39 24.137 16.045 23.905 1.00 25.00 H new ATOM 0 HZ PHE A 39 24.071 18.504 24.334 1.00 25.00 H new ATOM 558 N LYS A 40 27.088 14.701 27.335 1.00 25.00 N ATOM 559 CA LYS A 40 26.091 13.755 27.855 1.00 25.00 C ATOM 560 C LYS A 40 25.294 13.090 26.731 1.00 25.00 C ATOM 561 O LYS A 40 24.513 13.755 26.044 1.00 25.00 O ATOM 562 CB LYS A 40 25.103 14.506 28.763 1.00 25.00 C ATOM 563 CG LYS A 40 25.705 15.104 30.035 1.00 25.00 C ATOM 564 CD LYS A 40 24.670 15.941 30.781 1.00 25.00 C ATOM 565 CE LYS A 40 25.250 16.590 32.037 1.00 25.00 C ATOM 566 NZ LYS A 40 24.250 17.485 32.721 1.00 25.00 N ATOM 0 H LYS A 40 26.875 15.676 27.545 1.00 25.00 H new ATOM 0 HA LYS A 40 26.628 12.983 28.406 1.00 25.00 H new ATOM 0 HB2 LYS A 40 24.644 15.309 28.186 1.00 25.00 H new ATOM 0 HB3 LYS A 40 24.304 13.821 29.047 1.00 25.00 H new ATOM 0 HG2 LYS A 40 26.068 14.305 30.682 1.00 25.00 H new ATOM 0 HG3 LYS A 40 26.565 15.723 29.780 1.00 25.00 H new ATOM 0 HD2 LYS A 40 24.286 16.716 30.118 1.00 25.00 H new ATOM 0 HD3 LYS A 40 23.825 15.310 31.057 1.00 25.00 H new ATOM 0 HE2 LYS A 40 25.575 15.814 32.729 1.00 25.00 H new ATOM 0 HE3 LYS A 40 26.134 17.170 31.771 1.00 25.00 H new ATOM 0 HZ1 LYS A 40 24.683 17.906 33.568 1.00 25.00 H new ATOM 0 HZ2 LYS A 40 23.958 18.241 32.069 1.00 25.00 H new ATOM 0 HZ3 LYS A 40 23.417 16.927 32.998 1.00 25.00 H new ATOM 580 N VAL A 41 25.451 11.787 26.553 1.00 25.00 N ATOM 581 CA VAL A 41 24.699 11.034 25.536 1.00 25.00 C ATOM 582 C VAL A 41 24.135 9.760 26.149 1.00 25.00 C ATOM 583 O VAL A 41 24.627 9.311 27.180 1.00 25.00 O ATOM 584 CB VAL A 41 25.571 10.649 24.297 1.00 25.00 C ATOM 585 CG1 VAL A 41 26.050 11.897 23.559 1.00 50.00 C ATOM 586 CG2 VAL A 41 26.786 9.793 24.677 1.00 50.00 C ATOM 0 H VAL A 41 26.096 11.217 27.100 1.00 25.00 H new ATOM 0 HA VAL A 41 23.899 11.689 25.191 1.00 25.00 H new ATOM 0 HB VAL A 41 24.929 10.057 23.645 1.00 25.00 H new ATOM 0 HG11 VAL A 41 26.655 11.603 22.701 1.00 50.00 H new ATOM 0 HG12 VAL A 41 25.189 12.470 23.216 1.00 50.00 H new ATOM 0 HG13 VAL A 41 26.649 12.510 24.232 1.00 50.00 H new ATOM 0 HG21 VAL A 41 27.357 9.554 23.780 1.00 50.00 H new ATOM 0 HG22 VAL A 41 27.417 10.346 25.373 1.00 50.00 H new ATOM 0 HG23 VAL A 41 26.448 8.870 25.149 1.00 50.00 H new ATOM 596 N LYS A 42 23.130 9.161 25.527 1.00 25.00 N ATOM 597 CA LYS A 42 22.610 7.864 25.978 1.00 25.00 C ATOM 598 C LYS A 42 23.649 6.773 25.698 1.00 25.00 C ATOM 599 O LYS A 42 24.586 7.003 24.925 1.00 25.00 O ATOM 600 CB LYS A 42 21.267 7.565 25.295 1.00 25.00 C ATOM 601 CG LYS A 42 21.329 7.359 23.786 1.00 25.00 C ATOM 602 CD LYS A 42 19.943 7.133 23.206 1.00 25.00 C ATOM 603 CE LYS A 42 20.005 6.866 21.705 1.00 25.00 C ATOM 604 NZ LYS A 42 18.635 6.674 21.123 1.00 25.00 N ATOM 0 H LYS A 42 22.655 9.545 24.710 1.00 25.00 H new ATOM 0 HA LYS A 42 22.428 7.891 27.052 1.00 25.00 H new ATOM 0 HB2 LYS A 42 20.840 6.671 25.749 1.00 25.00 H new ATOM 0 HB3 LYS A 42 20.582 8.387 25.504 1.00 25.00 H new ATOM 0 HG2 LYS A 42 21.786 8.230 23.316 1.00 25.00 H new ATOM 0 HG3 LYS A 42 21.965 6.504 23.559 1.00 25.00 H new ATOM 0 HD2 LYS A 42 19.470 6.289 23.708 1.00 25.00 H new ATOM 0 HD3 LYS A 42 19.320 8.007 23.396 1.00 25.00 H new ATOM 0 HE2 LYS A 42 20.500 7.700 21.206 1.00 25.00 H new ATOM 0 HE3 LYS A 42 20.609 5.978 21.517 1.00 25.00 H new ATOM 0 HZ1 LYS A 42 18.577 7.159 20.205 1.00 25.00 H new ATOM 0 HZ2 LYS A 42 18.454 5.659 20.990 1.00 25.00 H new ATOM 0 HZ3 LYS A 42 17.924 7.071 21.770 1.00 25.00 H new ATOM 618 N MET A 43 23.480 5.602 26.302 1.00 25.00 N ATOM 619 CA MET A 43 24.419 4.480 26.141 1.00 25.00 C ATOM 620 C MET A 43 24.769 4.193 24.679 1.00 25.00 C ATOM 621 O MET A 43 23.891 4.099 23.817 1.00 25.00 O ATOM 622 CB MET A 43 23.835 3.191 26.737 1.00 25.00 C ATOM 623 CG MET A 43 23.734 3.147 28.255 1.00 25.00 C ATOM 624 SD MET A 43 25.354 3.010 29.024 1.00 25.00 S ATOM 625 CE MET A 43 24.953 2.688 30.749 1.00 25.00 C ATOM 0 H MET A 43 22.693 5.396 26.917 1.00 25.00 H new ATOM 0 HA MET A 43 25.325 4.784 26.666 1.00 25.00 H new ATOM 0 HB2 MET A 43 22.839 3.040 26.321 1.00 25.00 H new ATOM 0 HB3 MET A 43 24.448 2.352 26.408 1.00 25.00 H new ATOM 0 HG2 MET A 43 23.236 4.048 28.613 1.00 25.00 H new ATOM 0 HG3 MET A 43 23.116 2.301 28.555 1.00 25.00 H new ATOM 0 HE1 MET A 43 25.874 2.585 31.323 1.00 25.00 H new ATOM 0 HE2 MET A 43 24.368 3.517 31.147 1.00 25.00 H new ATOM 0 HE3 MET A 43 24.374 1.767 30.822 1.00 25.00 H new ATOM 635 N THR A 44 26.061 4.089 24.409 1.00 25.00 N ATOM 636 CA THR A 44 26.587 3.879 23.063 1.00 25.00 C ATOM 637 C THR A 44 26.679 2.393 22.709 1.00 25.00 C ATOM 638 O THR A 44 26.558 1.525 23.574 1.00 25.00 O ATOM 639 CB THR A 44 27.984 4.538 22.962 1.00 25.00 C ATOM 640 OG1 THR A 44 28.785 4.134 24.077 1.00 25.00 O ATOM 641 CG2 THR A 44 27.875 6.056 23.023 1.00 25.00 C ATOM 0 H THR A 44 26.785 4.148 25.125 1.00 25.00 H new ATOM 0 HA THR A 44 25.901 4.337 22.351 1.00 25.00 H new ATOM 0 HB THR A 44 28.427 4.229 22.015 1.00 25.00 H new ATOM 0 HG1 THR A 44 29.670 4.550 24.012 1.00 25.00 H new ATOM 0 HG21 THR A 44 28.870 6.495 22.950 1.00 25.00 H new ATOM 0 HG22 THR A 44 27.260 6.410 22.195 1.00 25.00 H new ATOM 0 HG23 THR A 44 27.417 6.350 23.967 1.00 25.00 H new ATOM 649 N THR A 45 26.865 2.106 21.430 1.00 25.00 N ATOM 650 CA THR A 45 26.956 0.735 20.915 1.00 25.00 C ATOM 651 C THR A 45 28.230 -0.007 21.340 1.00 25.00 C ATOM 652 O THR A 45 29.225 0.611 21.746 1.00 25.00 O ATOM 653 CB THR A 45 26.870 0.762 19.364 1.00 25.00 C ATOM 654 OG1 THR A 45 26.747 -0.571 18.860 1.00 25.00 O ATOM 655 CG2 THR A 45 28.082 1.417 18.705 1.00 25.00 C ATOM 0 H THR A 45 26.959 2.820 20.708 1.00 25.00 H new ATOM 0 HA THR A 45 26.120 0.186 21.349 1.00 25.00 H new ATOM 0 HB THR A 45 25.993 1.360 19.117 1.00 25.00 H new ATOM 0 HG1 THR A 45 25.808 -0.755 18.648 1.00 25.00 H new ATOM 0 HG21 THR A 45 27.959 1.403 17.622 1.00 25.00 H new ATOM 0 HG22 THR A 45 28.169 2.448 19.047 1.00 25.00 H new ATOM 0 HG23 THR A 45 28.984 0.868 18.975 1.00 25.00 H new ATOM 663 N HIS A 46 28.219 -1.333 21.231 1.00 25.00 N ATOM 664 CA HIS A 46 29.419 -2.138 21.467 1.00 25.00 C ATOM 665 C HIS A 46 30.559 -1.758 20.521 1.00 25.00 C ATOM 666 O HIS A 46 30.343 -1.296 19.390 1.00 25.00 O ATOM 667 CB HIS A 46 29.121 -3.652 21.424 1.00 25.00 C ATOM 668 CG HIS A 46 28.837 -4.218 20.064 1.00 25.00 C ATOM 669 ND1 HIS A 46 28.929 -5.579 19.787 1.00 25.00 N ATOM 670 CD2 HIS A 46 28.423 -3.657 18.895 1.00 25.00 C ATOM 671 CE1 HIS A 46 28.622 -5.790 18.517 1.00 25.00 C ATOM 672 NE2 HIS A 46 28.315 -4.645 17.956 1.00 25.00 N ATOM 0 H HIS A 46 27.392 -1.875 20.981 1.00 25.00 H new ATOM 0 HA HIS A 46 29.754 -1.909 22.479 1.00 25.00 H new ATOM 0 HB2 HIS A 46 29.972 -4.184 21.849 1.00 25.00 H new ATOM 0 HB3 HIS A 46 28.265 -3.854 22.068 1.00 25.00 H new ATOM 0 HD1 HIS A 46 29.192 -6.301 20.458 1.00 25.00 H new ATOM 0 HD2 HIS A 46 28.215 -2.609 18.736 1.00 25.00 H new ATOM 0 HE1 HIS A 46 28.624 -6.750 18.022 1.00 25.00 H new ATOM 681 N LEU A 47 31.780 -1.945 21.000 1.00 25.00 N ATOM 682 CA LEU A 47 32.987 -1.439 20.341 1.00 25.00 C ATOM 683 C LEU A 47 33.122 -1.849 18.871 1.00 25.00 C ATOM 684 O LEU A 47 33.507 -1.036 18.039 1.00 25.00 O ATOM 685 CB LEU A 47 34.201 -1.878 21.178 1.00 25.00 C ATOM 686 CG LEU A 47 35.608 -1.280 20.995 1.00 25.00 C ATOM 687 CD1 LEU A 47 36.345 -1.710 19.727 1.00 50.00 C ATOM 688 CD2 LEU A 47 35.563 0.244 21.072 1.00 50.00 C ATOM 0 H LEU A 47 31.968 -2.455 21.863 1.00 25.00 H new ATOM 0 HA LEU A 47 32.922 -0.352 20.300 1.00 25.00 H new ATOM 0 HB2 LEU A 47 33.931 -1.718 22.222 1.00 25.00 H new ATOM 0 HB3 LEU A 47 34.302 -2.954 21.036 1.00 25.00 H new ATOM 0 HG LEU A 47 36.186 -1.692 21.823 1.00 25.00 H new ATOM 0 HD11 LEU A 47 37.324 -1.233 19.696 1.00 50.00 H new ATOM 0 HD12 LEU A 47 36.469 -2.793 19.728 1.00 50.00 H new ATOM 0 HD13 LEU A 47 35.768 -1.411 18.852 1.00 50.00 H new ATOM 0 HD21 LEU A 47 36.568 0.645 20.940 1.00 50.00 H new ATOM 0 HD22 LEU A 47 34.913 0.629 20.286 1.00 50.00 H new ATOM 0 HD23 LEU A 47 35.176 0.548 22.045 1.00 50.00 H new ATOM 700 N LYS A 48 32.736 -3.069 18.524 1.00 25.00 N ATOM 701 CA LYS A 48 32.769 -3.543 17.136 1.00 25.00 C ATOM 702 C LYS A 48 32.023 -2.645 16.150 1.00 25.00 C ATOM 703 O LYS A 48 32.530 -2.344 15.069 1.00 25.00 O ATOM 704 CB LYS A 48 32.161 -4.946 17.081 1.00 25.00 C ATOM 705 CG LYS A 48 32.353 -5.660 15.755 1.00 25.00 C ATOM 706 CD LYS A 48 31.654 -7.000 15.768 1.00 25.00 C ATOM 707 CE LYS A 48 31.868 -7.740 14.461 1.00 25.00 C ATOM 708 NZ LYS A 48 31.296 -9.119 14.545 1.00 25.00 N ATOM 0 H LYS A 48 32.391 -3.761 19.190 1.00 25.00 H new ATOM 0 HA LYS A 48 33.815 -3.536 16.831 1.00 25.00 H new ATOM 0 HB2 LYS A 48 32.602 -5.551 17.873 1.00 25.00 H new ATOM 0 HB3 LYS A 48 31.094 -4.875 17.291 1.00 25.00 H new ATOM 0 HG2 LYS A 48 31.960 -5.046 14.945 1.00 25.00 H new ATOM 0 HG3 LYS A 48 33.417 -5.800 15.562 1.00 25.00 H new ATOM 0 HD2 LYS A 48 32.029 -7.602 16.596 1.00 25.00 H new ATOM 0 HD3 LYS A 48 30.587 -6.855 15.937 1.00 25.00 H new ATOM 0 HE2 LYS A 48 31.397 -7.193 13.644 1.00 25.00 H new ATOM 0 HE3 LYS A 48 32.933 -7.794 14.236 1.00 25.00 H new ATOM 0 HZ1 LYS A 48 31.450 -9.614 13.643 1.00 25.00 H new ATOM 0 HZ2 LYS A 48 31.764 -9.643 15.312 1.00 25.00 H new ATOM 0 HZ3 LYS A 48 30.276 -9.060 14.738 1.00 25.00 H new ATOM 722 N LYS A 49 30.833 -2.186 16.517 1.00 25.00 N ATOM 723 CA LYS A 49 30.039 -1.355 15.607 1.00 25.00 C ATOM 724 C LYS A 49 30.583 0.063 15.599 1.00 25.00 C ATOM 725 O LYS A 49 30.562 0.733 14.571 1.00 25.00 O ATOM 726 CB LYS A 49 28.565 -1.362 16.013 1.00 25.00 C ATOM 727 CG LYS A 49 27.619 -0.708 15.005 1.00 25.00 C ATOM 728 CD LYS A 49 26.202 -0.706 15.550 1.00 25.00 C ATOM 729 CE LYS A 49 25.194 -0.127 14.577 1.00 25.00 C ATOM 730 NZ LYS A 49 23.869 -0.086 15.270 1.00 25.00 N ATOM 0 H LYS A 49 30.398 -2.368 17.421 1.00 25.00 H new ATOM 0 HA LYS A 49 30.112 -1.769 14.601 1.00 25.00 H new ATOM 0 HB2 LYS A 49 28.250 -2.394 16.169 1.00 25.00 H new ATOM 0 HB3 LYS A 49 28.464 -0.850 16.970 1.00 25.00 H new ATOM 0 HG2 LYS A 49 27.941 0.313 14.801 1.00 25.00 H new ATOM 0 HG3 LYS A 49 27.653 -1.248 14.059 1.00 25.00 H new ATOM 0 HD2 LYS A 49 25.913 -1.727 15.799 1.00 25.00 H new ATOM 0 HD3 LYS A 49 26.176 -0.132 16.476 1.00 25.00 H new ATOM 0 HE2 LYS A 49 25.494 0.873 14.265 1.00 25.00 H new ATOM 0 HE3 LYS A 49 25.136 -0.738 13.676 1.00 25.00 H new ATOM 0 HZ1 LYS A 49 23.153 0.308 14.627 1.00 25.00 H new ATOM 0 HZ2 LYS A 49 23.593 -1.049 15.548 1.00 25.00 H new ATOM 0 HZ3 LYS A 49 23.939 0.512 16.118 1.00 25.00 H new ATOM 744 N LEU A 50 31.131 0.512 16.720 1.00 25.00 N ATOM 745 CA LEU A 50 31.757 1.835 16.768 1.00 25.00 C ATOM 746 C LEU A 50 32.963 1.857 15.828 1.00 25.00 C ATOM 747 O LEU A 50 33.146 2.780 15.042 1.00 25.00 O ATOM 748 CB LEU A 50 32.200 2.167 18.200 1.00 25.00 C ATOM 749 CG LEU A 50 32.753 3.581 18.439 1.00 25.00 C ATOM 750 CD1 LEU A 50 31.671 4.648 18.278 1.00 50.00 C ATOM 751 CD2 LEU A 50 33.363 3.674 19.835 1.00 50.00 C ATOM 0 H LEU A 50 31.158 -0.007 17.598 1.00 25.00 H new ATOM 0 HA LEU A 50 31.033 2.585 16.450 1.00 25.00 H new ATOM 0 HB2 LEU A 50 31.348 2.018 18.863 1.00 25.00 H new ATOM 0 HB3 LEU A 50 32.964 1.448 18.496 1.00 25.00 H new ATOM 0 HG LEU A 50 33.521 3.766 17.688 1.00 25.00 H new ATOM 0 HD11 LEU A 50 32.102 5.633 18.455 1.00 50.00 H new ATOM 0 HD12 LEU A 50 31.266 4.606 17.267 1.00 50.00 H new ATOM 0 HD13 LEU A 50 30.872 4.467 18.997 1.00 50.00 H new ATOM 0 HD21 LEU A 50 33.752 4.679 19.996 1.00 50.00 H new ATOM 0 HD22 LEU A 50 32.599 3.457 20.581 1.00 50.00 H new ATOM 0 HD23 LEU A 50 34.174 2.952 19.926 1.00 50.00 H new ATOM 763 N LYS A 51 33.753 0.792 15.867 1.00 25.00 N ATOM 764 CA LYS A 51 34.911 0.627 14.989 1.00 25.00 C ATOM 765 C LYS A 51 34.490 0.558 13.530 1.00 25.00 C ATOM 766 O LYS A 51 35.114 1.183 12.675 1.00 25.00 O ATOM 767 CB LYS A 51 35.650 -0.649 15.406 1.00 25.00 C ATOM 768 CG LYS A 51 36.923 -0.973 14.643 1.00 25.00 C ATOM 769 CD LYS A 51 37.452 -2.307 15.143 1.00 25.00 C ATOM 770 CE LYS A 51 38.673 -2.762 14.371 1.00 25.00 C ATOM 771 NZ LYS A 51 39.080 -4.123 14.831 1.00 25.00 N ATOM 0 H LYS A 51 33.611 0.013 16.510 1.00 25.00 H new ATOM 0 HA LYS A 51 35.571 1.489 15.087 1.00 25.00 H new ATOM 0 HB2 LYS A 51 35.897 -0.570 16.465 1.00 25.00 H new ATOM 0 HB3 LYS A 51 34.965 -1.490 15.300 1.00 25.00 H new ATOM 0 HG2 LYS A 51 36.722 -1.021 13.573 1.00 25.00 H new ATOM 0 HG3 LYS A 51 37.666 -0.189 14.793 1.00 25.00 H new ATOM 0 HD2 LYS A 51 37.703 -2.224 16.200 1.00 25.00 H new ATOM 0 HD3 LYS A 51 36.669 -3.061 15.060 1.00 25.00 H new ATOM 0 HE2 LYS A 51 38.455 -2.778 13.303 1.00 25.00 H new ATOM 0 HE3 LYS A 51 39.492 -2.058 14.518 1.00 25.00 H new ATOM 0 HZ1 LYS A 51 39.918 -4.433 14.299 1.00 25.00 H new ATOM 0 HZ2 LYS A 51 39.305 -4.094 15.846 1.00 25.00 H new ATOM 0 HZ3 LYS A 51 38.300 -4.792 14.669 1.00 25.00 H new ATOM 785 N GLU A 52 33.414 -0.158 13.244 1.00 25.00 N ATOM 786 CA GLU A 52 32.908 -0.229 11.877 1.00 25.00 C ATOM 787 C GLU A 52 32.474 1.159 11.404 1.00 25.00 C ATOM 788 O GLU A 52 32.851 1.588 10.319 1.00 25.00 O ATOM 789 CB GLU A 52 31.747 -1.224 11.778 1.00 25.00 C ATOM 790 CG GLU A 52 31.294 -1.492 10.345 1.00 25.00 C ATOM 791 CD GLU A 52 30.210 -2.557 10.260 1.00 25.00 C ATOM 792 OE1 GLU A 52 29.372 -2.664 11.185 1.00 25.00 O ATOM 793 OE2 GLU A 52 30.193 -3.323 9.269 1.00 25.00 O ATOM 0 H GLU A 52 32.878 -0.693 13.928 1.00 25.00 H new ATOM 0 HA GLU A 52 33.709 -0.583 11.228 1.00 25.00 H new ATOM 0 HB2 GLU A 52 32.046 -2.166 12.238 1.00 25.00 H new ATOM 0 HB3 GLU A 52 30.903 -0.843 12.352 1.00 25.00 H new ATOM 0 HG2 GLU A 52 30.922 -0.566 9.907 1.00 25.00 H new ATOM 0 HG3 GLU A 52 32.152 -1.805 9.750 1.00 25.00 H new ATOM 800 N SER A 53 31.750 1.894 12.235 1.00 25.00 N ATOM 801 CA SER A 53 31.269 3.226 11.866 1.00 25.00 C ATOM 802 C SER A 53 32.411 4.214 11.639 1.00 25.00 C ATOM 803 O SER A 53 32.374 5.041 10.720 1.00 25.00 O ATOM 804 CB SER A 53 30.338 3.756 12.958 1.00 25.00 C ATOM 805 OG SER A 53 29.293 2.829 13.215 1.00 25.00 O ATOM 0 H SER A 53 31.480 1.594 13.172 1.00 25.00 H new ATOM 0 HA SER A 53 30.730 3.130 10.924 1.00 25.00 H new ATOM 0 HB2 SER A 53 30.905 3.936 13.871 1.00 25.00 H new ATOM 0 HB3 SER A 53 29.916 4.713 12.651 1.00 25.00 H new ATOM 0 HG SER A 53 29.648 2.068 13.720 1.00 25.00 H new ATOM 811 N TYR A 54 33.454 4.109 12.450 1.00 25.00 N ATOM 812 CA TYR A 54 34.646 4.934 12.279 1.00 25.00 C ATOM 813 C TYR A 54 35.391 4.569 10.996 1.00 25.00 C ATOM 814 O TYR A 54 35.808 5.448 10.243 1.00 25.00 O ATOM 815 CB TYR A 54 35.588 4.756 13.472 1.00 25.00 C ATOM 816 CG TYR A 54 35.430 5.794 14.566 1.00 25.00 C ATOM 817 CD1 TYR A 54 34.252 5.880 15.337 1.00 25.00 C ATOM 818 CD2 TYR A 54 36.484 6.688 14.852 1.00 25.00 C ATOM 819 CE1 TYR A 54 34.142 6.825 16.393 1.00 25.00 C ATOM 820 CE2 TYR A 54 36.373 7.632 15.907 1.00 25.00 C ATOM 821 CZ TYR A 54 35.206 7.685 16.672 1.00 25.00 C ATOM 822 OH TYR A 54 35.109 8.597 17.694 1.00 25.00 O ATOM 0 H TYR A 54 33.501 3.460 13.235 1.00 25.00 H new ATOM 0 HA TYR A 54 34.323 5.973 12.215 1.00 25.00 H new ATOM 0 HB2 TYR A 54 35.425 3.768 13.902 1.00 25.00 H new ATOM 0 HB3 TYR A 54 36.617 4.781 13.112 1.00 25.00 H new ATOM 0 HD1 TYR A 54 33.424 5.220 15.123 1.00 25.00 H new ATOM 0 HD2 TYR A 54 37.387 6.654 14.261 1.00 25.00 H new ATOM 0 HE1 TYR A 54 33.236 6.878 16.979 1.00 25.00 H new ATOM 0 HE2 TYR A 54 37.189 8.307 16.117 1.00 25.00 H new ATOM 0 HH TYR A 54 35.939 9.114 17.751 1.00 25.00 H new ATOM 832 N CYS A 55 35.565 3.287 10.702 1.00 25.00 N ATOM 833 CA CYS A 55 36.299 2.930 9.490 1.00 25.00 C ATOM 834 C CYS A 55 35.485 3.292 8.248 1.00 25.00 C ATOM 835 O CYS A 55 36.046 3.721 7.239 1.00 25.00 O ATOM 836 CB CYS A 55 36.730 1.458 9.499 1.00 25.00 C ATOM 837 SG CYS A 55 35.437 0.233 9.195 1.00 25.00 S ATOM 0 H CYS A 55 35.225 2.503 11.259 1.00 25.00 H new ATOM 0 HA CYS A 55 37.219 3.514 9.462 1.00 25.00 H new ATOM 0 HB2 CYS A 55 37.507 1.326 8.746 1.00 25.00 H new ATOM 0 HB3 CYS A 55 37.183 1.242 10.467 1.00 25.00 H new ATOM 0 HG CYS A 55 34.295 0.696 9.608 1.00 25.00 H new ATOM 842 N GLN A 56 34.164 3.208 8.351 1.00 25.00 N ATOM 843 CA GLN A 56 33.277 3.584 7.256 1.00 25.00 C ATOM 844 C GLN A 56 33.400 5.068 6.937 1.00 25.00 C ATOM 845 O GLN A 56 33.566 5.421 5.772 1.00 25.00 O ATOM 846 CB GLN A 56 31.825 3.203 7.583 1.00 25.00 C ATOM 847 CG GLN A 56 30.831 3.312 6.416 1.00 25.00 C ATOM 848 CD GLN A 56 30.178 4.677 6.268 1.00 25.00 C ATOM 849 OE1 GLN A 56 29.727 5.278 7.242 1.00 25.00 O ATOM 850 NE2 GLN A 56 30.081 5.163 5.060 1.00 25.00 N ATOM 0 H GLN A 56 33.681 2.881 9.187 1.00 25.00 H new ATOM 0 HA GLN A 56 33.579 3.031 6.366 1.00 25.00 H new ATOM 0 HB2 GLN A 56 31.812 2.178 7.953 1.00 25.00 H new ATOM 0 HB3 GLN A 56 31.475 3.840 8.395 1.00 25.00 H new ATOM 0 HG2 GLN A 56 31.351 3.070 5.489 1.00 25.00 H new ATOM 0 HG3 GLN A 56 30.051 2.563 6.549 1.00 25.00 H new ATOM 0 HE21 GLN A 56 30.464 4.644 4.269 1.00 25.00 H new ATOM 0 HE22 GLN A 56 29.623 6.061 4.907 1.00 25.00 H new ATOM 859 N ARG A 57 33.371 5.937 7.942 1.00 25.00 N ATOM 860 CA ARG A 57 33.432 7.380 7.676 1.00 25.00 C ATOM 861 C ARG A 57 34.794 7.858 7.188 1.00 25.00 C ATOM 862 O ARG A 57 34.881 8.836 6.448 1.00 25.00 O ATOM 863 CB ARG A 57 32.951 8.191 8.887 1.00 25.00 C ATOM 864 CG ARG A 57 33.907 8.340 10.058 1.00 25.00 C ATOM 865 CD ARG A 57 33.162 8.841 11.281 1.00 25.00 C ATOM 866 NE ARG A 57 34.075 9.285 12.344 1.00 25.00 N ATOM 867 CZ ARG A 57 33.743 9.572 13.594 1.00 25.00 C ATOM 868 NH1 ARG A 57 32.573 9.320 14.112 1.00 25.00 N ATOM 869 NH2 ARG A 57 34.637 10.140 14.348 1.00 25.00 N ATOM 0 H ARG A 57 33.307 5.682 8.928 1.00 25.00 H new ATOM 0 HA ARG A 57 32.746 7.559 6.848 1.00 25.00 H new ATOM 0 HB2 ARG A 57 32.687 9.190 8.539 1.00 25.00 H new ATOM 0 HB3 ARG A 57 32.035 7.731 9.257 1.00 25.00 H new ATOM 0 HG2 ARG A 57 34.378 7.382 10.277 1.00 25.00 H new ATOM 0 HG3 ARG A 57 34.705 9.035 9.799 1.00 25.00 H new ATOM 0 HD2 ARG A 57 32.511 9.667 10.995 1.00 25.00 H new ATOM 0 HD3 ARG A 57 32.520 8.048 11.664 1.00 25.00 H new ATOM 0 HE ARG A 57 35.059 9.381 12.095 1.00 25.00 H new ATOM 0 HH11 ARG A 57 31.850 8.876 13.546 1.00 25.00 H new ATOM 0 HH12 ARG A 57 32.381 9.567 15.083 1.00 25.00 H new ATOM 0 HH21 ARG A 57 35.561 10.351 13.972 1.00 25.00 H new ATOM 0 HH22 ARG A 57 34.414 10.374 15.315 1.00 25.00 H new ATOM 883 N GLN A 58 35.856 7.157 7.560 1.00 25.00 N ATOM 884 CA GLN A 58 37.194 7.491 7.067 1.00 25.00 C ATOM 885 C GLN A 58 37.497 6.835 5.715 1.00 25.00 C ATOM 886 O GLN A 58 38.452 7.216 5.040 1.00 25.00 O ATOM 887 CB GLN A 58 38.259 7.082 8.091 1.00 25.00 C ATOM 888 CG GLN A 58 38.162 7.803 9.441 1.00 25.00 C ATOM 889 CD GLN A 58 38.227 9.315 9.333 1.00 25.00 C ATOM 890 OE1 GLN A 58 37.249 10.009 9.605 1.00 25.00 O ATOM 891 NE2 GLN A 58 39.367 9.840 8.974 1.00 25.00 N ATOM 0 H GLN A 58 35.823 6.360 8.195 1.00 25.00 H new ATOM 0 HA GLN A 58 37.219 8.571 6.923 1.00 25.00 H new ATOM 0 HB2 GLN A 58 38.185 6.008 8.262 1.00 25.00 H new ATOM 0 HB3 GLN A 58 39.244 7.270 7.664 1.00 25.00 H new ATOM 0 HG2 GLN A 58 37.227 7.522 9.926 1.00 25.00 H new ATOM 0 HG3 GLN A 58 38.971 7.459 10.085 1.00 25.00 H new ATOM 0 HE21 GLN A 58 40.160 9.237 8.755 1.00 25.00 H new ATOM 0 HE22 GLN A 58 39.465 10.853 8.913 1.00 25.00 H new ATOM 900 N GLY A 59 36.695 5.862 5.303 1.00 25.00 N ATOM 901 CA GLY A 59 36.916 5.203 4.023 1.00 25.00 C ATOM 902 C GLY A 59 38.057 4.201 4.036 1.00 25.00 C ATOM 903 O GLY A 59 38.749 4.030 3.028 1.00 25.00 O ATOM 0 H GLY A 59 35.894 5.515 5.830 1.00 25.00 H new ATOM 0 HA2 GLY A 59 36.000 4.692 3.725 1.00 25.00 H new ATOM 0 HA3 GLY A 59 37.119 5.960 3.266 1.00 25.00 H new ATOM 907 N VAL A 60 38.290 3.555 5.170 1.00 25.00 N ATOM 908 CA VAL A 60 39.441 2.657 5.346 1.00 25.00 C ATOM 909 C VAL A 60 38.971 1.253 5.750 1.00 25.00 C ATOM 910 O VAL A 60 37.853 1.113 6.257 1.00 25.00 O ATOM 911 CB VAL A 60 40.430 3.232 6.416 1.00 25.00 C ATOM 912 CG1 VAL A 60 40.997 4.585 5.963 1.00 50.00 C ATOM 913 CG2 VAL A 60 39.769 3.385 7.793 1.00 50.00 C ATOM 0 H VAL A 60 37.695 3.633 5.995 1.00 25.00 H new ATOM 0 HA VAL A 60 39.968 2.585 4.394 1.00 25.00 H new ATOM 0 HB VAL A 60 41.243 2.512 6.511 1.00 25.00 H new ATOM 0 HG11 VAL A 60 41.681 4.965 6.722 1.00 50.00 H new ATOM 0 HG12 VAL A 60 41.532 4.458 5.022 1.00 50.00 H new ATOM 0 HG13 VAL A 60 40.180 5.293 5.823 1.00 50.00 H new ATOM 0 HG21 VAL A 60 40.493 3.787 8.502 1.00 50.00 H new ATOM 0 HG22 VAL A 60 38.921 4.065 7.716 1.00 50.00 H new ATOM 0 HG23 VAL A 60 39.423 2.412 8.141 1.00 50.00 H new ATOM 923 N PRO A 61 39.789 0.203 5.524 1.00 25.00 N ATOM 924 CA PRO A 61 39.349 -1.100 6.043 1.00 25.00 C ATOM 925 C PRO A 61 39.428 -1.147 7.571 1.00 25.00 C ATOM 926 O PRO A 61 40.150 -0.358 8.194 1.00 25.00 O ATOM 927 CB PRO A 61 40.332 -2.076 5.392 1.00 25.00 C ATOM 928 CG PRO A 61 41.573 -1.288 5.258 1.00 25.00 C ATOM 929 CD PRO A 61 41.097 0.082 4.847 1.00 25.00 C ATOM 0 HA PRO A 61 38.308 -1.328 5.813 1.00 25.00 H new ATOM 0 HB2 PRO A 61 40.485 -2.961 6.009 1.00 25.00 H new ATOM 0 HB3 PRO A 61 39.971 -2.421 4.423 1.00 25.00 H new ATOM 0 HG2 PRO A 61 42.126 -1.253 6.197 1.00 25.00 H new ATOM 0 HG3 PRO A 61 42.240 -1.719 4.511 1.00 25.00 H new ATOM 0 HD2 PRO A 61 41.789 0.861 5.166 1.00 25.00 H new ATOM 0 HD3 PRO A 61 40.999 0.166 3.765 1.00 25.00 H new ATOM 937 N MET A 62 38.679 -2.050 8.191 1.00 25.00 N ATOM 938 CA MET A 62 38.488 -2.007 9.644 1.00 25.00 C ATOM 939 C MET A 62 39.738 -2.184 10.506 1.00 25.00 C ATOM 940 O MET A 62 39.785 -1.644 11.606 1.00 25.00 O ATOM 941 CB MET A 62 37.394 -2.995 10.074 1.00 25.00 C ATOM 942 CG MET A 62 37.743 -4.470 9.927 1.00 25.00 C ATOM 943 SD MET A 62 36.346 -5.514 10.385 1.00 25.00 S ATOM 944 CE MET A 62 37.007 -7.163 10.072 1.00 25.00 C ATOM 0 H MET A 62 38.196 -2.816 7.721 1.00 25.00 H new ATOM 0 HA MET A 62 38.181 -0.979 9.836 1.00 25.00 H new ATOM 0 HB2 MET A 62 37.145 -2.802 11.117 1.00 25.00 H new ATOM 0 HB3 MET A 62 36.497 -2.793 9.489 1.00 25.00 H new ATOM 0 HG2 MET A 62 38.034 -4.677 8.897 1.00 25.00 H new ATOM 0 HG3 MET A 62 38.601 -4.709 10.555 1.00 25.00 H new ATOM 0 HE1 MET A 62 36.250 -7.910 10.312 1.00 25.00 H new ATOM 0 HE2 MET A 62 37.283 -7.251 9.021 1.00 25.00 H new ATOM 0 HE3 MET A 62 37.888 -7.326 10.693 1.00 25.00 H new ATOM 954 N ASN A 63 40.778 -2.857 10.030 1.00 25.00 N ATOM 955 CA ASN A 63 41.994 -3.015 10.837 1.00 25.00 C ATOM 956 C ASN A 63 42.793 -1.727 11.011 1.00 25.00 C ATOM 957 O ASN A 63 43.755 -1.699 11.769 1.00 25.00 O ATOM 958 CB ASN A 63 42.953 -4.053 10.242 1.00 25.00 C ATOM 959 CG ASN A 63 43.764 -3.509 9.087 1.00 25.00 C ATOM 960 OD1 ASN A 63 43.237 -2.932 8.140 1.00 25.00 O ATOM 961 ND2 ASN A 63 45.056 -3.673 9.159 1.00 25.00 N ATOM 0 H ASN A 63 40.811 -3.296 9.110 1.00 25.00 H new ATOM 0 HA ASN A 63 41.616 -3.339 11.807 1.00 25.00 H new ATOM 0 HB2 ASN A 63 43.630 -4.404 11.021 1.00 25.00 H new ATOM 0 HB3 ASN A 63 42.381 -4.917 9.903 1.00 25.00 H new ATOM 0 HD21 ASN A 63 45.657 -3.318 8.416 1.00 25.00 H new ATOM 0 HD22 ASN A 63 45.465 -4.157 9.959 1.00 25.00 H new ATOM 968 N SER A 64 42.435 -0.674 10.291 1.00 25.00 N ATOM 969 CA SER A 64 43.208 0.564 10.325 1.00 25.00 C ATOM 970 C SER A 64 43.085 1.348 11.627 1.00 25.00 C ATOM 971 O SER A 64 43.921 2.207 11.902 1.00 25.00 O ATOM 972 CB SER A 64 42.750 1.484 9.198 1.00 25.00 C ATOM 973 OG SER A 64 42.719 0.789 7.961 1.00 25.00 O ATOM 0 H SER A 64 41.620 -0.649 9.679 1.00 25.00 H new ATOM 0 HA SER A 64 44.248 0.256 10.220 1.00 25.00 H new ATOM 0 HB2 SER A 64 41.759 1.878 9.424 1.00 25.00 H new ATOM 0 HB3 SER A 64 43.423 2.338 9.124 1.00 25.00 H new ATOM 0 HG SER A 64 41.866 0.315 7.873 1.00 25.00 H new ATOM 979 N LEU A 65 42.034 1.104 12.401 1.00 25.00 N ATOM 980 CA LEU A 65 41.707 1.941 13.558 1.00 25.00 C ATOM 981 C LEU A 65 41.482 1.075 14.799 1.00 25.00 C ATOM 982 O LEU A 65 41.043 -0.069 14.676 1.00 25.00 O ATOM 983 CB LEU A 65 40.440 2.755 13.250 1.00 25.00 C ATOM 984 CG LEU A 65 40.414 3.626 11.977 1.00 25.00 C ATOM 985 CD1 LEU A 65 39.041 4.254 11.822 1.00 50.00 C ATOM 986 CD2 LEU A 65 41.459 4.735 11.932 1.00 50.00 C ATOM 0 H LEU A 65 41.388 0.329 12.250 1.00 25.00 H new ATOM 0 HA LEU A 65 42.539 2.617 13.757 1.00 25.00 H new ATOM 0 HB2 LEU A 65 39.604 2.057 13.191 1.00 25.00 H new ATOM 0 HB3 LEU A 65 40.251 3.408 14.102 1.00 25.00 H new ATOM 0 HG LEU A 65 40.653 2.946 11.159 1.00 25.00 H new ATOM 0 HD11 LEU A 65 39.022 4.870 10.923 1.00 50.00 H new ATOM 0 HD12 LEU A 65 38.289 3.469 11.741 1.00 50.00 H new ATOM 0 HD13 LEU A 65 38.825 4.875 12.691 1.00 50.00 H new ATOM 0 HD21 LEU A 65 41.360 5.291 10.999 1.00 50.00 H new ATOM 0 HD22 LEU A 65 41.309 5.410 12.774 1.00 50.00 H new ATOM 0 HD23 LEU A 65 42.456 4.298 11.990 1.00 50.00 H new ATOM 998 N ARG A 66 41.765 1.615 15.980 1.00 25.00 N ATOM 999 CA ARG A 66 41.657 0.882 17.249 1.00 25.00 C ATOM 1000 C ARG A 66 41.333 1.874 18.365 1.00 25.00 C ATOM 1001 O ARG A 66 41.499 3.081 18.177 1.00 25.00 O ATOM 1002 CB ARG A 66 42.973 0.126 17.518 1.00 25.00 C ATOM 1003 CG ARG A 66 44.213 1.016 17.624 1.00 25.00 C ATOM 1004 CD ARG A 66 45.535 0.263 17.762 1.00 25.00 C ATOM 1005 NE ARG A 66 45.856 -0.511 16.554 1.00 25.00 N ATOM 1006 CZ ARG A 66 46.992 -1.140 16.287 1.00 25.00 C ATOM 1007 NH1 ARG A 66 48.079 -1.034 17.004 1.00 25.00 N ATOM 1008 NH2 ARG A 66 47.036 -1.904 15.236 1.00 25.00 N ATOM 0 H ARG A 66 42.078 2.579 16.091 1.00 25.00 H new ATOM 0 HA ARG A 66 40.855 0.145 17.203 1.00 25.00 H new ATOM 0 HB2 ARG A 66 42.868 -0.439 18.444 1.00 25.00 H new ATOM 0 HB3 ARG A 66 43.130 -0.598 16.719 1.00 25.00 H new ATOM 0 HG2 ARG A 66 44.264 1.651 16.739 1.00 25.00 H new ATOM 0 HG3 ARG A 66 44.096 1.676 18.483 1.00 25.00 H new ATOM 0 HD2 ARG A 66 46.338 0.973 17.962 1.00 25.00 H new ATOM 0 HD3 ARG A 66 45.482 -0.408 18.619 1.00 25.00 H new ATOM 0 HE ARG A 66 45.126 -0.570 15.845 1.00 25.00 H new ATOM 0 HH11 ARG A 66 48.089 -0.436 17.830 1.00 25.00 H new ATOM 0 HH12 ARG A 66 48.918 -1.549 16.737 1.00 25.00 H new ATOM 0 HH21 ARG A 66 46.211 -2.006 14.644 1.00 25.00 H new ATOM 0 HH22 ARG A 66 47.895 -2.402 15.003 1.00 25.00 H new ATOM 1022 N PHE A 67 40.853 1.399 19.505 1.00 25.00 N ATOM 1023 CA PHE A 67 40.548 2.269 20.646 1.00 25.00 C ATOM 1024 C PHE A 67 41.143 1.619 21.887 1.00 25.00 C ATOM 1025 O PHE A 67 40.949 0.421 22.078 1.00 25.00 O ATOM 1026 CB PHE A 67 39.037 2.380 20.884 1.00 25.00 C ATOM 1027 CG PHE A 67 38.248 2.887 19.704 1.00 25.00 C ATOM 1028 CD1 PHE A 67 37.796 1.991 18.716 1.00 25.00 C ATOM 1029 CD2 PHE A 67 37.893 4.245 19.605 1.00 25.00 C ATOM 1030 CE1 PHE A 67 36.990 2.437 17.646 1.00 25.00 C ATOM 1031 CE2 PHE A 67 37.061 4.702 18.544 1.00 25.00 C ATOM 1032 CZ PHE A 67 36.610 3.792 17.565 1.00 25.00 C ATOM 0 H PHE A 67 40.663 0.411 19.671 1.00 25.00 H new ATOM 0 HA PHE A 67 40.952 3.261 20.444 1.00 25.00 H new ATOM 0 HB2 PHE A 67 38.654 1.399 21.165 1.00 25.00 H new ATOM 0 HB3 PHE A 67 38.864 3.044 21.731 1.00 25.00 H new ATOM 0 HD1 PHE A 67 38.070 0.948 18.778 1.00 25.00 H new ATOM 0 HD2 PHE A 67 38.255 4.947 20.341 1.00 25.00 H new ATOM 0 HE1 PHE A 67 36.664 1.739 16.889 1.00 25.00 H new ATOM 0 HE2 PHE A 67 36.776 5.742 18.489 1.00 25.00 H new ATOM 0 HZ PHE A 67 35.977 4.131 16.758 1.00 25.00 H new ATOM 1042 N LEU A 68 41.843 2.376 22.720 1.00 25.00 N ATOM 1043 CA LEU A 68 42.388 1.891 23.992 1.00 25.00 C ATOM 1044 C LEU A 68 42.838 3.166 24.687 1.00 25.00 C ATOM 1045 O LEU A 68 42.889 4.199 24.027 1.00 25.00 O ATOM 1046 CB LEU A 68 43.584 0.933 23.828 1.00 25.00 C ATOM 1047 CG LEU A 68 44.921 1.359 23.199 1.00 25.00 C ATOM 1048 CD1 LEU A 68 45.963 0.297 23.538 1.00 50.00 C ATOM 1049 CD2 LEU A 68 44.875 1.524 21.678 1.00 50.00 C ATOM 0 H LEU A 68 42.054 3.357 22.535 1.00 25.00 H new ATOM 0 HA LEU A 68 41.646 1.310 24.540 1.00 25.00 H new ATOM 0 HB2 LEU A 68 43.817 0.557 24.824 1.00 25.00 H new ATOM 0 HB3 LEU A 68 43.224 0.086 23.244 1.00 25.00 H new ATOM 0 HG LEU A 68 45.166 2.339 23.609 1.00 25.00 H new ATOM 0 HD11 LEU A 68 46.922 0.576 23.102 1.00 50.00 H new ATOM 0 HD12 LEU A 68 46.065 0.220 24.620 1.00 50.00 H new ATOM 0 HD13 LEU A 68 45.647 -0.665 23.134 1.00 50.00 H new ATOM 0 HD21 LEU A 68 45.857 1.826 21.315 1.00 50.00 H new ATOM 0 HD22 LEU A 68 44.593 0.577 21.218 1.00 50.00 H new ATOM 0 HD23 LEU A 68 44.142 2.287 21.417 1.00 50.00 H new ATOM 1061 N PHE A 69 43.172 3.123 25.966 1.00 25.00 N ATOM 1062 CA PHE A 69 43.720 4.292 26.656 1.00 25.00 C ATOM 1063 C PHE A 69 44.684 3.810 27.730 1.00 25.00 C ATOM 1064 O PHE A 69 44.325 2.920 28.490 1.00 25.00 O ATOM 1065 CB PHE A 69 42.571 5.096 27.272 1.00 25.00 C ATOM 1066 CG PHE A 69 43.011 6.306 28.045 1.00 25.00 C ATOM 1067 CD1 PHE A 69 43.651 7.370 27.394 1.00 25.00 C ATOM 1068 CD2 PHE A 69 42.766 6.397 29.426 1.00 25.00 C ATOM 1069 CE1 PHE A 69 44.068 8.515 28.111 1.00 25.00 C ATOM 1070 CE2 PHE A 69 43.158 7.552 30.153 1.00 25.00 C ATOM 1071 CZ PHE A 69 43.821 8.608 29.492 1.00 25.00 C ATOM 0 H PHE A 69 43.075 2.294 26.552 1.00 25.00 H new ATOM 0 HA PHE A 69 44.256 4.937 25.960 1.00 25.00 H new ATOM 0 HB2 PHE A 69 41.897 5.413 26.476 1.00 25.00 H new ATOM 0 HB3 PHE A 69 42.000 4.444 27.933 1.00 25.00 H new ATOM 0 HD1 PHE A 69 43.828 7.314 26.330 1.00 25.00 H new ATOM 0 HD2 PHE A 69 42.276 5.582 29.938 1.00 25.00 H new ATOM 0 HE1 PHE A 69 44.576 9.318 27.598 1.00 25.00 H new ATOM 0 HE2 PHE A 69 42.949 7.622 31.210 1.00 25.00 H new ATOM 0 HZ PHE A 69 44.136 9.482 30.043 1.00 25.00 H new ATOM 1081 N GLU A 70 45.901 4.339 27.761 1.00 25.00 N ATOM 1082 CA GLU A 70 46.953 3.944 28.719 1.00 25.00 C ATOM 1083 C GLU A 70 47.273 2.442 28.668 1.00 25.00 C ATOM 1084 O GLU A 70 47.603 1.799 29.673 1.00 25.00 O ATOM 1085 CB GLU A 70 46.595 4.386 30.147 1.00 25.00 C ATOM 1086 CG GLU A 70 46.347 5.878 30.261 1.00 25.00 C ATOM 1087 CD GLU A 70 45.979 6.321 31.667 1.00 25.00 C ATOM 1088 OE1 GLU A 70 45.164 5.654 32.353 1.00 25.00 O ATOM 1089 OE2 GLU A 70 46.518 7.362 32.116 1.00 25.00 O ATOM 0 H GLU A 70 46.200 5.068 27.114 1.00 25.00 H new ATOM 0 HA GLU A 70 47.861 4.464 28.415 1.00 25.00 H new ATOM 0 HB2 GLU A 70 45.705 3.849 30.475 1.00 25.00 H new ATOM 0 HB3 GLU A 70 47.404 4.105 30.822 1.00 25.00 H new ATOM 0 HG2 GLU A 70 47.241 6.413 29.941 1.00 25.00 H new ATOM 0 HG3 GLU A 70 45.546 6.159 29.578 1.00 25.00 H new ATOM 1096 N GLY A 71 47.135 1.874 27.479 1.00 25.00 N ATOM 1097 CA GLY A 71 47.344 0.450 27.261 1.00 25.00 C ATOM 1098 C GLY A 71 46.154 -0.428 27.604 1.00 25.00 C ATOM 1099 O GLY A 71 46.179 -1.630 27.360 1.00 25.00 O ATOM 0 H GLY A 71 46.875 2.388 26.637 1.00 25.00 H new ATOM 0 HA2 GLY A 71 47.605 0.291 26.215 1.00 25.00 H new ATOM 0 HA3 GLY A 71 48.199 0.127 27.855 1.00 25.00 H new ATOM 1103 N GLN A 72 45.117 0.147 28.196 1.00 25.00 N ATOM 1104 CA GLN A 72 43.956 -0.613 28.658 1.00 25.00 C ATOM 1105 C GLN A 72 43.028 -0.894 27.477 1.00 25.00 C ATOM 1106 O GLN A 72 42.329 0.000 26.991 1.00 25.00 O ATOM 1107 CB GLN A 72 43.209 0.176 29.744 1.00 25.00 C ATOM 1108 CG GLN A 72 44.077 0.553 30.959 1.00 25.00 C ATOM 1109 CD GLN A 72 43.419 1.580 31.860 1.00 25.00 C ATOM 1110 OE1 GLN A 72 43.115 1.317 33.022 1.00 25.00 O ATOM 1111 NE2 GLN A 72 43.229 2.766 31.350 1.00 25.00 N ATOM 0 H GLN A 72 45.053 1.150 28.371 1.00 25.00 H new ATOM 0 HA GLN A 72 44.290 -1.559 29.083 1.00 25.00 H new ATOM 0 HB2 GLN A 72 42.806 1.087 29.303 1.00 25.00 H new ATOM 0 HB3 GLN A 72 42.360 -0.415 30.087 1.00 25.00 H new ATOM 0 HG2 GLN A 72 44.292 -0.345 31.538 1.00 25.00 H new ATOM 0 HG3 GLN A 72 45.033 0.944 30.609 1.00 25.00 H new ATOM 0 HE21 GLN A 72 43.492 2.953 30.382 1.00 25.00 H new ATOM 0 HE22 GLN A 72 42.818 3.506 31.919 1.00 25.00 H new ATOM 1120 N ARG A 73 43.061 -2.122 26.979 1.00 25.00 N ATOM 1121 CA ARG A 73 42.228 -2.542 25.849 1.00 25.00 C ATOM 1122 C ARG A 73 40.899 -3.089 26.336 1.00 25.00 C ATOM 1123 O ARG A 73 40.786 -3.521 27.488 1.00 25.00 O ATOM 1124 CB ARG A 73 42.946 -3.633 25.048 1.00 25.00 C ATOM 1125 CG ARG A 73 44.210 -3.135 24.377 1.00 25.00 C ATOM 1126 CD ARG A 73 44.878 -4.227 23.561 1.00 25.00 C ATOM 1127 NE ARG A 73 46.113 -3.720 22.948 1.00 25.00 N ATOM 1128 CZ ARG A 73 47.316 -3.683 23.505 1.00 25.00 C ATOM 1129 NH1 ARG A 73 47.587 -4.114 24.708 1.00 25.00 N ATOM 1130 NH2 ARG A 73 48.297 -3.174 22.819 1.00 25.00 N ATOM 0 H ARG A 73 43.664 -2.859 27.343 1.00 25.00 H new ATOM 0 HA ARG A 73 42.049 -1.671 25.218 1.00 25.00 H new ATOM 0 HB2 ARG A 73 43.195 -4.460 25.712 1.00 25.00 H new ATOM 0 HB3 ARG A 73 42.268 -4.026 24.290 1.00 25.00 H new ATOM 0 HG2 ARG A 73 43.971 -2.291 23.730 1.00 25.00 H new ATOM 0 HG3 ARG A 73 44.904 -2.769 25.134 1.00 25.00 H new ATOM 0 HD2 ARG A 73 45.104 -5.081 24.199 1.00 25.00 H new ATOM 0 HD3 ARG A 73 44.197 -4.580 22.786 1.00 25.00 H new ATOM 0 HE ARG A 73 46.038 -3.360 21.997 1.00 25.00 H new ATOM 0 HH11 ARG A 73 46.847 -4.512 25.286 1.00 25.00 H new ATOM 0 HH12 ARG A 73 48.539 -4.052 25.069 1.00 25.00 H new ATOM 0 HH21 ARG A 73 48.130 -2.817 21.878 1.00 25.00 H new ATOM 0 HH22 ARG A 73 49.233 -3.132 23.222 1.00 25.00 H new ATOM 1144 N ILE A 74 39.916 -3.100 25.450 1.00 25.00 N ATOM 1145 CA ILE A 74 38.611 -3.712 25.704 1.00 25.00 C ATOM 1146 C ILE A 74 38.276 -4.626 24.525 1.00 25.00 C ATOM 1147 O ILE A 74 38.820 -4.469 23.426 1.00 25.00 O ATOM 1148 CB ILE A 74 37.457 -2.680 25.966 1.00 25.00 C ATOM 1149 CG1 ILE A 74 37.138 -1.764 24.758 1.00 25.00 C ATOM 1150 CG2 ILE A 74 37.712 -1.892 27.269 1.00 25.00 C ATOM 1151 CD1 ILE A 74 38.041 -0.527 24.490 1.00 25.00 C ATOM 0 H ILE A 74 39.997 -2.681 24.523 1.00 25.00 H new ATOM 0 HA ILE A 74 38.685 -4.281 26.631 1.00 25.00 H new ATOM 0 HB ILE A 74 36.546 -3.263 26.101 1.00 25.00 H new ATOM 0 HG12 ILE A 74 37.155 -2.384 23.862 1.00 25.00 H new ATOM 0 HG13 ILE A 74 36.116 -1.405 24.878 1.00 25.00 H new ATOM 0 HG21 ILE A 74 36.900 -1.183 27.430 1.00 25.00 H new ATOM 0 HG22 ILE A 74 37.761 -2.585 28.109 1.00 25.00 H new ATOM 0 HG23 ILE A 74 38.655 -1.351 27.189 1.00 25.00 H new ATOM 0 HD11 ILE A 74 37.679 0.004 23.609 1.00 25.00 H new ATOM 0 HD12 ILE A 74 38.011 0.139 25.352 1.00 25.00 H new ATOM 0 HD13 ILE A 74 39.066 -0.855 24.320 1.00 25.00 H new ATOM 1163 N ALA A 75 37.400 -5.591 24.755 1.00 25.00 N ATOM 1164 CA ALA A 75 36.979 -6.524 23.714 1.00 25.00 C ATOM 1165 C ALA A 75 36.048 -5.840 22.706 1.00 25.00 C ATOM 1166 O ALA A 75 35.408 -4.836 23.013 1.00 25.00 O ATOM 1167 CB ALA A 75 36.269 -7.712 24.365 1.00 25.00 C ATOM 0 H ALA A 75 36.961 -5.752 25.662 1.00 25.00 H new ATOM 0 HA ALA A 75 37.859 -6.871 23.173 1.00 25.00 H new ATOM 0 HB1 ALA A 75 35.951 -8.413 23.593 1.00 25.00 H new ATOM 0 HB2 ALA A 75 36.952 -8.212 25.052 1.00 25.00 H new ATOM 0 HB3 ALA A 75 35.397 -7.358 24.915 1.00 25.00 H new ATOM 1173 N ASP A 76 35.901 -6.435 21.531 1.00 25.00 N ATOM 1174 CA ASP A 76 35.010 -5.897 20.497 1.00 25.00 C ATOM 1175 C ASP A 76 33.545 -5.881 20.937 1.00 25.00 C ATOM 1176 O ASP A 76 32.764 -5.027 20.526 1.00 25.00 O ATOM 1177 CB ASP A 76 35.126 -6.697 19.191 1.00 25.00 C ATOM 1178 CG ASP A 76 34.452 -8.060 19.267 1.00 25.00 C ATOM 1179 OD1 ASP A 76 34.928 -8.944 20.016 1.00 25.00 O ATOM 1180 OD2 ASP A 76 33.431 -8.272 18.588 1.00 25.00 O ATOM 0 H ASP A 76 36.385 -7.292 21.264 1.00 25.00 H new ATOM 0 HA ASP A 76 35.332 -4.869 20.330 1.00 25.00 H new ATOM 0 HB2 ASP A 76 34.681 -6.122 18.379 1.00 25.00 H new ATOM 0 HB3 ASP A 76 36.180 -6.832 18.946 1.00 25.00 H new ATOM 1185 N ASN A 77 33.160 -6.792 21.817 1.00 25.00 N ATOM 1186 CA ASN A 77 31.776 -6.829 22.275 1.00 25.00 C ATOM 1187 C ASN A 77 31.541 -5.989 23.533 1.00 25.00 C ATOM 1188 O ASN A 77 30.447 -5.991 24.095 1.00 25.00 O ATOM 1189 CB ASN A 77 31.344 -8.278 22.499 1.00 25.00 C ATOM 1190 CG ASN A 77 29.847 -8.428 22.535 1.00 25.00 C ATOM 1191 OD1 ASN A 77 29.117 -7.685 21.880 1.00 25.00 O ATOM 1192 ND2 ASN A 77 29.367 -9.383 23.277 1.00 25.00 N ATOM 0 H ASN A 77 33.770 -7.502 22.222 1.00 25.00 H new ATOM 0 HA ASN A 77 31.163 -6.382 21.493 1.00 25.00 H new ATOM 0 HB2 ASN A 77 31.751 -8.903 21.704 1.00 25.00 H new ATOM 0 HB3 ASN A 77 31.766 -8.640 23.437 1.00 25.00 H new ATOM 0 HD21 ASN A 77 28.359 -9.532 23.327 1.00 25.00 H new ATOM 0 HD22 ASN A 77 29.998 -9.982 23.808 1.00 25.00 H new ATOM 1199 N HIS A 78 32.558 -5.277 24.000 1.00 25.00 N ATOM 1200 CA HIS A 78 32.425 -4.488 25.225 1.00 25.00 C ATOM 1201 C HIS A 78 31.483 -3.316 24.984 1.00 25.00 C ATOM 1202 O HIS A 78 31.538 -2.686 23.925 1.00 25.00 O ATOM 1203 CB HIS A 78 33.797 -3.982 25.671 1.00 25.00 C ATOM 1204 CG HIS A 78 33.800 -3.358 27.033 1.00 25.00 C ATOM 1205 ND1 HIS A 78 33.593 -2.002 27.263 1.00 25.00 N ATOM 1206 CD2 HIS A 78 34.002 -3.891 28.264 1.00 25.00 C ATOM 1207 CE1 HIS A 78 33.670 -1.766 28.564 1.00 25.00 C ATOM 1208 NE2 HIS A 78 33.905 -2.894 29.189 1.00 25.00 N ATOM 0 H HIS A 78 33.476 -5.227 23.558 1.00 25.00 H new ATOM 0 HA HIS A 78 32.011 -5.117 26.013 1.00 25.00 H new ATOM 0 HB2 HIS A 78 34.501 -4.814 25.662 1.00 25.00 H new ATOM 0 HB3 HIS A 78 34.157 -3.252 24.947 1.00 25.00 H new ATOM 0 HD2 HIS A 78 34.205 -4.930 28.476 1.00 25.00 H new ATOM 0 HE1 HIS A 78 33.557 -0.800 29.034 1.00 25.00 H new ATOM 0 HE2 HIS A 78 33.999 -3.007 30.198 1.00 25.00 H new ATOM 1217 N THR A 79 30.644 -3.021 25.965 1.00 25.00 N ATOM 1218 CA THR A 79 29.683 -1.921 25.909 1.00 25.00 C ATOM 1219 C THR A 79 29.917 -1.019 27.120 1.00 25.00 C ATOM 1220 O THR A 79 30.508 -1.460 28.112 1.00 25.00 O ATOM 1221 CB THR A 79 28.228 -2.449 26.039 1.00 25.00 C ATOM 1222 OG1 THR A 79 28.089 -3.133 27.285 1.00 25.00 O ATOM 1223 CG2 THR A 79 27.838 -3.392 24.942 1.00 25.00 C ATOM 0 H THR A 79 30.608 -3.546 26.839 1.00 25.00 H new ATOM 0 HA THR A 79 29.814 -1.400 24.960 1.00 25.00 H new ATOM 0 HB THR A 79 27.573 -1.580 25.975 1.00 25.00 H new ATOM 0 HG1 THR A 79 28.423 -4.050 27.194 1.00 25.00 H new ATOM 0 HG21 THR A 79 26.810 -3.722 25.094 1.00 25.00 H new ATOM 0 HG22 THR A 79 27.917 -2.885 23.981 1.00 25.00 H new ATOM 0 HG23 THR A 79 28.502 -4.256 24.952 1.00 25.00 H new ATOM 1231 N PRO A 80 29.365 0.208 27.126 1.00 25.00 N ATOM 1232 CA PRO A 80 29.385 0.953 28.394 1.00 25.00 C ATOM 1233 C PRO A 80 28.441 0.391 29.468 1.00 25.00 C ATOM 1234 O PRO A 80 28.414 0.883 30.597 1.00 25.00 O ATOM 1235 CB PRO A 80 28.945 2.351 27.960 1.00 25.00 C ATOM 1236 CG PRO A 80 28.025 2.088 26.837 1.00 25.00 C ATOM 1237 CD PRO A 80 28.698 0.994 26.070 1.00 25.00 C ATOM 0 HA PRO A 80 30.364 0.908 28.872 1.00 25.00 H new ATOM 0 HB2 PRO A 80 28.448 2.885 28.770 1.00 25.00 H new ATOM 0 HB3 PRO A 80 29.793 2.961 27.650 1.00 25.00 H new ATOM 0 HG2 PRO A 80 27.041 1.781 27.190 1.00 25.00 H new ATOM 0 HG3 PRO A 80 27.880 2.976 26.222 1.00 25.00 H new ATOM 0 HD2 PRO A 80 27.981 0.392 25.512 1.00 25.00 H new ATOM 0 HD3 PRO A 80 29.413 1.388 25.348 1.00 25.00 H new ATOM 1245 N LYS A 81 27.676 -0.643 29.131 1.00 25.00 N ATOM 1246 CA LYS A 81 26.749 -1.297 30.055 1.00 25.00 C ATOM 1247 C LYS A 81 27.377 -2.444 30.847 1.00 25.00 C ATOM 1248 O LYS A 81 26.727 -2.989 31.736 1.00 25.00 O ATOM 1249 CB LYS A 81 25.564 -1.871 29.265 1.00 25.00 C ATOM 1250 CG LYS A 81 24.755 -0.861 28.454 1.00 25.00 C ATOM 1251 CD LYS A 81 23.574 -1.561 27.784 1.00 25.00 C ATOM 1252 CE LYS A 81 22.760 -0.611 26.912 1.00 25.00 C ATOM 1253 NZ LYS A 81 21.601 -1.311 26.262 1.00 25.00 N ATOM 0 H LYS A 81 27.681 -1.057 28.199 1.00 25.00 H new ATOM 0 HA LYS A 81 26.440 -0.530 30.766 1.00 25.00 H new ATOM 0 HB2 LYS A 81 25.941 -2.636 28.586 1.00 25.00 H new ATOM 0 HB3 LYS A 81 24.892 -2.369 29.964 1.00 25.00 H new ATOM 0 HG2 LYS A 81 24.395 -0.064 29.104 1.00 25.00 H new ATOM 0 HG3 LYS A 81 25.389 -0.396 27.699 1.00 25.00 H new ATOM 0 HD2 LYS A 81 23.941 -2.386 27.174 1.00 25.00 H new ATOM 0 HD3 LYS A 81 22.928 -1.993 28.549 1.00 25.00 H new ATOM 0 HE2 LYS A 81 22.392 0.216 27.520 1.00 25.00 H new ATOM 0 HE3 LYS A 81 23.403 -0.181 26.144 1.00 25.00 H new ATOM 0 HZ1 LYS A 81 21.070 -0.634 25.677 1.00 25.00 H new ATOM 0 HZ2 LYS A 81 21.954 -2.084 25.663 1.00 25.00 H new ATOM 0 HZ3 LYS A 81 20.975 -1.700 26.996 1.00 25.00 H new ATOM 1267 N GLU A 82 28.600 -2.856 30.533 1.00 25.00 N ATOM 1268 CA GLU A 82 29.186 -4.027 31.205 1.00 25.00 C ATOM 1269 C GLU A 82 29.417 -3.781 32.700 1.00 25.00 C ATOM 1270 O GLU A 82 29.224 -4.678 33.528 1.00 25.00 O ATOM 1271 CB GLU A 82 30.527 -4.441 30.584 1.00 25.00 C ATOM 1272 CG GLU A 82 30.503 -4.812 29.104 1.00 25.00 C ATOM 1273 CD GLU A 82 29.547 -5.938 28.742 1.00 25.00 C ATOM 1274 OE1 GLU A 82 29.499 -6.990 29.418 1.00 25.00 O ATOM 1275 OE2 GLU A 82 28.866 -5.804 27.700 1.00 25.00 O ATOM 0 H GLU A 82 29.199 -2.414 29.836 1.00 25.00 H new ATOM 0 HA GLU A 82 28.457 -4.826 31.072 1.00 25.00 H new ATOM 0 HB2 GLU A 82 31.234 -3.622 30.720 1.00 25.00 H new ATOM 0 HB3 GLU A 82 30.914 -5.292 31.144 1.00 25.00 H new ATOM 0 HG2 GLU A 82 30.234 -3.927 28.527 1.00 25.00 H new ATOM 0 HG3 GLU A 82 31.510 -5.098 28.800 1.00 25.00 H new ATOM 1282 N LEU A 83 29.801 -2.559 33.047 1.00 25.00 N ATOM 1283 CA LEU A 83 29.969 -2.144 34.444 1.00 25.00 C ATOM 1284 C LEU A 83 29.103 -0.927 34.780 1.00 25.00 C ATOM 1285 O LEU A 83 28.557 -0.831 35.882 1.00 25.00 O ATOM 1286 CB LEU A 83 31.451 -1.853 34.716 1.00 25.00 C ATOM 1287 CG LEU A 83 31.881 -1.590 36.168 1.00 25.00 C ATOM 1288 CD1 LEU A 83 31.683 -2.797 37.084 1.00 50.00 C ATOM 1289 CD2 LEU A 83 33.350 -1.173 36.200 1.00 50.00 C ATOM 0 H LEU A 83 30.006 -1.823 32.371 1.00 25.00 H new ATOM 0 HA LEU A 83 29.638 -2.958 35.089 1.00 25.00 H new ATOM 0 HB2 LEU A 83 32.031 -2.698 34.344 1.00 25.00 H new ATOM 0 HB3 LEU A 83 31.735 -0.985 34.121 1.00 25.00 H new ATOM 0 HG LEU A 83 31.240 -0.792 36.544 1.00 25.00 H new ATOM 0 HD11 LEU A 83 32.006 -2.544 38.094 1.00 50.00 H new ATOM 0 HD12 LEU A 83 30.629 -3.074 37.099 1.00 50.00 H new ATOM 0 HD13 LEU A 83 32.273 -3.635 36.714 1.00 50.00 H new ATOM 0 HD21 LEU A 83 33.653 -0.987 37.230 1.00 50.00 H new ATOM 0 HD22 LEU A 83 33.964 -1.970 35.780 1.00 50.00 H new ATOM 0 HD23 LEU A 83 33.483 -0.264 35.613 1.00 50.00 H new ATOM 1301 N GLY A 84 28.905 -0.030 33.821 1.00 25.00 N ATOM 1302 CA GLY A 84 27.953 1.057 34.006 1.00 25.00 C ATOM 1303 C GLY A 84 28.340 2.182 34.953 1.00 25.00 C ATOM 1304 O GLY A 84 27.485 2.715 35.659 1.00 25.00 O ATOM 0 H GLY A 84 29.383 -0.033 32.920 1.00 25.00 H new ATOM 0 HA2 GLY A 84 27.751 1.496 33.029 1.00 25.00 H new ATOM 0 HA3 GLY A 84 27.017 0.626 34.362 1.00 25.00 H new ATOM 1308 N MET A 85 29.608 2.572 35.000 1.00 25.00 N ATOM 1309 CA MET A 85 30.032 3.668 35.883 1.00 25.00 C ATOM 1310 C MET A 85 29.814 5.053 35.270 1.00 25.00 C ATOM 1311 O MET A 85 30.061 6.060 35.930 1.00 25.00 O ATOM 1312 CB MET A 85 31.496 3.508 36.301 1.00 25.00 C ATOM 1313 CG MET A 85 31.752 2.211 37.055 1.00 25.00 C ATOM 1314 SD MET A 85 30.747 2.029 38.550 1.00 25.00 S ATOM 1315 CE MET A 85 31.495 3.219 39.684 1.00 25.00 C ATOM 0 H MET A 85 30.357 2.156 34.447 1.00 25.00 H new ATOM 0 HA MET A 85 29.395 3.601 36.765 1.00 25.00 H new ATOM 0 HB2 MET A 85 32.129 3.539 35.414 1.00 25.00 H new ATOM 0 HB3 MET A 85 31.785 4.351 36.928 1.00 25.00 H new ATOM 0 HG2 MET A 85 31.555 1.370 36.391 1.00 25.00 H new ATOM 0 HG3 MET A 85 32.806 2.162 37.328 1.00 25.00 H new ATOM 0 HE1 MET A 85 30.964 3.198 40.636 1.00 25.00 H new ATOM 0 HE2 MET A 85 32.541 2.959 39.847 1.00 25.00 H new ATOM 0 HE3 MET A 85 31.433 4.219 39.255 1.00 25.00 H new ATOM 1325 N GLU A 86 29.325 5.084 34.034 1.00 25.00 N ATOM 1326 CA GLU A 86 28.885 6.268 33.270 1.00 25.00 C ATOM 1327 C GLU A 86 29.877 7.385 32.924 1.00 25.00 C ATOM 1328 O GLU A 86 29.810 7.958 31.842 1.00 25.00 O ATOM 1329 CB GLU A 86 27.680 6.948 33.944 1.00 25.00 C ATOM 1330 CG GLU A 86 26.479 6.049 34.226 1.00 25.00 C ATOM 1331 CD GLU A 86 25.269 6.834 34.728 1.00 25.00 C ATOM 1332 OE1 GLU A 86 25.426 7.886 35.395 1.00 25.00 O ATOM 1333 OE2 GLU A 86 24.120 6.400 34.470 1.00 25.00 O ATOM 0 H GLU A 86 29.214 4.226 33.493 1.00 25.00 H new ATOM 0 HA GLU A 86 28.673 5.786 32.315 1.00 25.00 H new ATOM 0 HB2 GLU A 86 28.013 7.383 34.886 1.00 25.00 H new ATOM 0 HB3 GLU A 86 27.352 7.772 33.311 1.00 25.00 H new ATOM 0 HG2 GLU A 86 26.209 5.513 33.316 1.00 25.00 H new ATOM 0 HG3 GLU A 86 26.756 5.300 34.968 1.00 25.00 H new ATOM 1340 N GLU A 87 30.752 7.753 33.841 1.00 25.00 N ATOM 1341 CA GLU A 87 31.549 8.973 33.736 1.00 25.00 C ATOM 1342 C GLU A 87 33.004 8.767 34.151 1.00 25.00 C ATOM 1343 O GLU A 87 33.729 9.729 34.421 1.00 25.00 O ATOM 1344 CB GLU A 87 30.884 10.033 34.626 1.00 25.00 C ATOM 1345 CG GLU A 87 30.858 9.664 36.114 1.00 25.00 C ATOM 1346 CD GLU A 87 30.167 10.697 36.981 1.00 25.00 C ATOM 1347 OE1 GLU A 87 29.405 11.552 36.480 1.00 25.00 O ATOM 1348 OE2 GLU A 87 30.382 10.661 38.217 1.00 25.00 O ATOM 0 H GLU A 87 30.935 7.214 34.687 1.00 25.00 H new ATOM 0 HA GLU A 87 31.578 9.289 32.693 1.00 25.00 H new ATOM 0 HB2 GLU A 87 31.412 10.979 34.505 1.00 25.00 H new ATOM 0 HB3 GLU A 87 29.862 10.193 34.283 1.00 25.00 H new ATOM 0 HG2 GLU A 87 30.354 8.705 36.234 1.00 25.00 H new ATOM 0 HG3 GLU A 87 31.881 9.532 36.465 1.00 25.00 H new ATOM 1355 N GLU A 88 33.427 7.515 34.245 1.00 25.00 N ATOM 1356 CA GLU A 88 34.766 7.196 34.749 1.00 25.00 C ATOM 1357 C GLU A 88 35.703 6.592 33.706 1.00 25.00 C ATOM 1358 O GLU A 88 36.913 6.827 33.733 1.00 25.00 O ATOM 1359 CB GLU A 88 34.657 6.247 35.941 1.00 25.00 C ATOM 1360 CG GLU A 88 33.859 6.822 37.115 1.00 25.00 C ATOM 1361 CD GLU A 88 33.932 5.954 38.363 1.00 25.00 C ATOM 1362 OE1 GLU A 88 34.695 4.962 38.391 1.00 25.00 O ATOM 1363 OE2 GLU A 88 33.237 6.269 39.356 1.00 25.00 O ATOM 0 H GLU A 88 32.869 6.702 33.982 1.00 25.00 H new ATOM 0 HA GLU A 88 35.208 8.148 35.043 1.00 25.00 H new ATOM 0 HB2 GLU A 88 34.187 5.319 35.614 1.00 25.00 H new ATOM 0 HB3 GLU A 88 35.660 5.993 36.285 1.00 25.00 H new ATOM 0 HG2 GLU A 88 34.234 7.818 37.349 1.00 25.00 H new ATOM 0 HG3 GLU A 88 32.816 6.935 36.818 1.00 25.00 H new ATOM 1370 N ASP A 89 35.155 5.824 32.778 1.00 25.00 N ATOM 1371 CA ASP A 89 35.950 5.198 31.720 1.00 25.00 C ATOM 1372 C ASP A 89 36.342 6.220 30.650 1.00 25.00 C ATOM 1373 O ASP A 89 35.602 7.171 30.367 1.00 25.00 O ATOM 1374 CB ASP A 89 35.166 4.029 31.118 1.00 25.00 C ATOM 1375 CG ASP A 89 35.987 3.199 30.151 1.00 25.00 C ATOM 1376 OD1 ASP A 89 37.226 3.095 30.311 1.00 25.00 O ATOM 1377 OD2 ASP A 89 35.395 2.575 29.240 1.00 25.00 O ATOM 0 H ASP A 89 34.158 5.615 32.732 1.00 25.00 H new ATOM 0 HA ASP A 89 36.876 4.814 32.148 1.00 25.00 H new ATOM 0 HB2 ASP A 89 34.806 3.388 31.923 1.00 25.00 H new ATOM 0 HB3 ASP A 89 34.288 4.416 30.601 1.00 25.00 H new ATOM 1382 N VAL A 90 37.530 6.046 30.091 1.00 25.00 N ATOM 1383 CA VAL A 90 38.099 6.935 29.079 1.00 25.00 C ATOM 1384 C VAL A 90 38.640 6.024 27.980 1.00 25.00 C ATOM 1385 O VAL A 90 39.245 4.998 28.303 1.00 25.00 O ATOM 1386 CB VAL A 90 39.278 7.774 29.676 1.00 25.00 C ATOM 1387 CG1 VAL A 90 39.898 8.708 28.632 1.00 50.00 C ATOM 1388 CG2 VAL A 90 38.824 8.601 30.891 1.00 50.00 C ATOM 0 H VAL A 90 38.142 5.266 30.331 1.00 25.00 H new ATOM 0 HA VAL A 90 37.348 7.634 28.710 1.00 25.00 H new ATOM 0 HB VAL A 90 40.033 7.056 29.996 1.00 25.00 H new ATOM 0 HG11 VAL A 90 40.712 9.272 29.087 1.00 50.00 H new ATOM 0 HG12 VAL A 90 40.285 8.119 27.801 1.00 50.00 H new ATOM 0 HG13 VAL A 90 39.139 9.399 28.265 1.00 50.00 H new ATOM 0 HG21 VAL A 90 39.668 9.171 31.279 1.00 50.00 H new ATOM 0 HG22 VAL A 90 38.032 9.286 30.589 1.00 50.00 H new ATOM 0 HG23 VAL A 90 38.450 7.933 31.667 1.00 50.00 H new ATOM 1398 N ILE A 91 38.452 6.379 26.716 1.00 25.00 N ATOM 1399 CA ILE A 91 39.125 5.715 25.595 1.00 25.00 C ATOM 1400 C ILE A 91 39.795 6.806 24.760 1.00 25.00 C ATOM 1401 O ILE A 91 39.407 7.970 24.842 1.00 25.00 O ATOM 1402 CB ILE A 91 38.169 4.833 24.727 1.00 25.00 C ATOM 1403 CG1 ILE A 91 37.052 5.670 24.070 1.00 25.00 C ATOM 1404 CG2 ILE A 91 37.586 3.689 25.580 1.00 25.00 C ATOM 1405 CD1 ILE A 91 36.186 4.913 23.045 1.00 25.00 C ATOM 0 H ILE A 91 37.829 7.136 26.433 1.00 25.00 H new ATOM 0 HA ILE A 91 39.861 5.013 25.987 1.00 25.00 H new ATOM 0 HB ILE A 91 38.753 4.399 23.915 1.00 25.00 H new ATOM 0 HG12 ILE A 91 36.403 6.060 24.854 1.00 25.00 H new ATOM 0 HG13 ILE A 91 37.506 6.529 23.575 1.00 25.00 H new ATOM 0 HG21 ILE A 91 36.921 3.080 24.967 1.00 25.00 H new ATOM 0 HG22 ILE A 91 38.398 3.069 25.961 1.00 25.00 H new ATOM 0 HG23 ILE A 91 37.026 4.108 26.416 1.00 25.00 H new ATOM 0 HD11 ILE A 91 35.430 5.586 22.640 1.00 25.00 H new ATOM 0 HD12 ILE A 91 36.817 4.546 22.236 1.00 25.00 H new ATOM 0 HD13 ILE A 91 35.697 4.070 23.534 1.00 25.00 H new ATOM 1417 N GLU A 92 40.779 6.446 23.954 1.00 25.00 N ATOM 1418 CA GLU A 92 41.470 7.381 23.073 1.00 25.00 C ATOM 1419 C GLU A 92 41.506 6.698 21.712 1.00 25.00 C ATOM 1420 O GLU A 92 41.605 5.468 21.629 1.00 25.00 O ATOM 1421 CB GLU A 92 42.874 7.661 23.630 1.00 25.00 C ATOM 1422 CG GLU A 92 43.756 8.604 22.809 1.00 25.00 C ATOM 1423 CD GLU A 92 45.127 8.832 23.445 1.00 25.00 C ATOM 1424 OE1 GLU A 92 45.276 8.658 24.672 1.00 25.00 O ATOM 1425 OE2 GLU A 92 46.087 9.209 22.729 1.00 25.00 O ATOM 0 H GLU A 92 41.126 5.489 23.890 1.00 25.00 H new ATOM 0 HA GLU A 92 40.975 8.349 22.995 1.00 25.00 H new ATOM 0 HB2 GLU A 92 42.767 8.078 24.631 1.00 25.00 H new ATOM 0 HB3 GLU A 92 43.396 6.710 23.735 1.00 25.00 H new ATOM 0 HG2 GLU A 92 43.888 8.192 21.808 1.00 25.00 H new ATOM 0 HG3 GLU A 92 43.249 9.562 22.695 1.00 25.00 H new ATOM 1432 N VAL A 93 41.361 7.475 20.647 1.00 25.00 N ATOM 1433 CA VAL A 93 41.408 6.916 19.301 1.00 25.00 C ATOM 1434 C VAL A 93 42.877 6.746 18.899 1.00 25.00 C ATOM 1435 O VAL A 93 43.709 7.638 19.105 1.00 25.00 O ATOM 1436 CB VAL A 93 40.578 7.776 18.288 1.00 25.00 C ATOM 1437 CG1 VAL A 93 39.119 7.881 18.757 1.00 50.00 C ATOM 1438 CG2 VAL A 93 41.130 9.190 18.098 1.00 50.00 C ATOM 0 H VAL A 93 41.211 8.483 20.686 1.00 25.00 H new ATOM 0 HA VAL A 93 40.934 5.935 19.284 1.00 25.00 H new ATOM 0 HB VAL A 93 40.647 7.262 17.329 1.00 25.00 H new ATOM 0 HG11 VAL A 93 38.551 8.481 18.046 1.00 50.00 H new ATOM 0 HG12 VAL A 93 38.684 6.883 18.819 1.00 50.00 H new ATOM 0 HG13 VAL A 93 39.085 8.354 19.739 1.00 50.00 H new ATOM 0 HG21 VAL A 93 40.508 9.730 17.384 1.00 50.00 H new ATOM 0 HG22 VAL A 93 41.125 9.714 19.054 1.00 50.00 H new ATOM 0 HG23 VAL A 93 42.151 9.134 17.720 1.00 50.00 H new ATOM 1448 N TYR A 94 43.213 5.586 18.359 1.00 25.00 N ATOM 1449 CA TYR A 94 44.574 5.262 17.934 1.00 25.00 C ATOM 1450 C TYR A 94 44.435 4.595 16.566 1.00 25.00 C ATOM 1451 O TYR A 94 43.337 4.161 16.198 1.00 25.00 O ATOM 1452 CB TYR A 94 45.222 4.288 18.922 1.00 25.00 C ATOM 1453 CG TYR A 94 45.862 4.895 20.157 1.00 25.00 C ATOM 1454 CD1 TYR A 94 45.132 5.087 21.351 1.00 25.00 C ATOM 1455 CD2 TYR A 94 47.238 5.197 20.161 1.00 25.00 C ATOM 1456 CE1 TYR A 94 45.786 5.519 22.543 1.00 25.00 C ATOM 1457 CE2 TYR A 94 47.886 5.638 21.342 1.00 25.00 C ATOM 1458 CZ TYR A 94 47.159 5.787 22.522 1.00 25.00 C ATOM 1459 OH TYR A 94 47.835 6.182 23.650 1.00 25.00 O ATOM 0 H TYR A 94 42.545 4.832 18.200 1.00 25.00 H new ATOM 0 HA TYR A 94 45.201 6.153 17.891 1.00 25.00 H new ATOM 0 HB2 TYR A 94 44.462 3.577 19.247 1.00 25.00 H new ATOM 0 HB3 TYR A 94 45.984 3.719 18.389 1.00 25.00 H new ATOM 0 HD1 TYR A 94 44.068 4.905 21.362 1.00 25.00 H new ATOM 0 HD2 TYR A 94 47.808 5.091 19.250 1.00 25.00 H new ATOM 0 HE1 TYR A 94 45.224 5.639 23.457 1.00 25.00 H new ATOM 0 HE2 TYR A 94 48.943 5.859 21.328 1.00 25.00 H new ATOM 0 HH TYR A 94 48.781 6.319 23.433 1.00 25.00 H new ATOM 1469 N GLN A 95 45.513 4.507 15.803 1.00 25.00 N ATOM 1470 CA GLN A 95 45.477 3.912 14.467 1.00 25.00 C ATOM 1471 C GLN A 95 46.533 2.827 14.332 1.00 25.00 C ATOM 1472 O GLN A 95 47.459 2.739 15.133 1.00 25.00 O ATOM 1473 CB GLN A 95 45.713 4.982 13.392 1.00 25.00 C ATOM 1474 CG GLN A 95 44.709 6.124 13.451 1.00 25.00 C ATOM 1475 CD GLN A 95 44.736 7.052 12.251 1.00 25.00 C ATOM 1476 OE1 GLN A 95 45.346 6.781 11.212 1.00 25.00 O ATOM 1477 NE2 GLN A 95 44.039 8.147 12.372 1.00 25.00 N ATOM 0 H GLN A 95 46.434 4.842 16.085 1.00 25.00 H new ATOM 0 HA GLN A 95 44.490 3.471 14.327 1.00 25.00 H new ATOM 0 HB2 GLN A 95 46.719 5.385 13.505 1.00 25.00 H new ATOM 0 HB3 GLN A 95 45.665 4.516 12.408 1.00 25.00 H new ATOM 0 HG2 GLN A 95 43.707 5.705 13.547 1.00 25.00 H new ATOM 0 HG3 GLN A 95 44.897 6.710 14.351 1.00 25.00 H new ATOM 0 HE21 GLN A 95 43.546 8.344 13.243 1.00 25.00 H new ATOM 0 HE22 GLN A 95 43.987 8.807 11.596 1.00 25.00 H new ATOM 1486 N GLU A 96 46.407 2.022 13.293 1.00 25.00 N ATOM 1487 CA GLU A 96 47.466 1.113 12.878 1.00 25.00 C ATOM 1488 C GLU A 96 48.515 2.023 12.223 1.00 25.00 C ATOM 1489 O GLU A 96 48.163 2.888 11.408 1.00 25.00 O ATOM 1490 CB GLU A 96 46.861 0.088 11.910 1.00 25.00 C ATOM 1491 CG GLU A 96 47.668 -1.179 11.662 1.00 25.00 C ATOM 1492 CD GLU A 96 48.986 -0.923 10.970 1.00 25.00 C ATOM 1493 OE1 GLU A 96 49.011 -0.242 9.914 1.00 25.00 O ATOM 1494 OE2 GLU A 96 50.028 -1.383 11.479 1.00 25.00 O ATOM 0 H GLU A 96 45.570 1.978 12.712 1.00 25.00 H new ATOM 0 HA GLU A 96 47.924 0.540 13.684 1.00 25.00 H new ATOM 0 HB2 GLU A 96 45.881 -0.202 12.290 1.00 25.00 H new ATOM 0 HB3 GLU A 96 46.698 0.581 10.951 1.00 25.00 H new ATOM 0 HG2 GLU A 96 47.856 -1.674 12.615 1.00 25.00 H new ATOM 0 HG3 GLU A 96 47.076 -1.866 11.058 1.00 25.00 H new ATOM 1501 N GLN A 97 49.778 1.880 12.605 1.00 25.00 N ATOM 1502 CA GLN A 97 50.858 2.771 12.160 1.00 25.00 C ATOM 1503 C GLN A 97 51.998 1.996 11.487 1.00 25.00 C ATOM 1504 O GLN A 97 53.183 2.216 11.765 1.00 25.00 O ATOM 1505 CB GLN A 97 51.376 3.595 13.352 1.00 25.00 C ATOM 1506 CG GLN A 97 50.364 4.597 13.913 1.00 25.00 C ATOM 1507 CD GLN A 97 50.914 5.399 15.079 1.00 25.00 C ATOM 1508 OE1 GLN A 97 50.586 5.143 16.238 1.00 25.00 O ATOM 1509 NE2 GLN A 97 51.735 6.375 14.795 1.00 25.00 N ATOM 0 H GLN A 97 50.090 1.141 13.235 1.00 25.00 H new ATOM 0 HA GLN A 97 50.453 3.449 11.409 1.00 25.00 H new ATOM 0 HB2 GLN A 97 51.674 2.913 14.148 1.00 25.00 H new ATOM 0 HB3 GLN A 97 52.271 4.135 13.044 1.00 25.00 H new ATOM 0 HG2 GLN A 97 50.058 5.280 13.120 1.00 25.00 H new ATOM 0 HG3 GLN A 97 49.471 4.062 14.235 1.00 25.00 H new ATOM 0 HE21 GLN A 97 51.988 6.563 13.825 1.00 25.00 H new ATOM 0 HE22 GLN A 97 52.123 6.949 15.543 1.00 25.00 H new ATOM 1518 N THR A 98 51.626 1.054 10.629 1.00 25.00 N ATOM 1519 CA THR A 98 52.554 0.186 9.889 1.00 25.00 C ATOM 1520 C THR A 98 53.486 -0.567 10.845 1.00 25.00 C ATOM 1521 O THR A 98 54.715 -0.614 10.700 1.00 25.00 O ATOM 1522 CB THR A 98 53.290 0.970 8.771 1.00 25.00 C ATOM 1523 OG1 THR A 98 52.374 1.898 8.183 1.00 25.00 O ATOM 1524 CG2 THR A 98 53.757 0.063 7.643 1.00 25.00 C ATOM 0 H THR A 98 50.647 0.862 10.418 1.00 25.00 H new ATOM 0 HA THR A 98 51.980 -0.583 9.372 1.00 25.00 H new ATOM 0 HB THR A 98 54.152 1.453 9.232 1.00 25.00 H new ATOM 0 HG1 THR A 98 52.828 2.402 7.475 1.00 25.00 H new ATOM 0 HG21 THR A 98 54.266 0.658 6.885 1.00 25.00 H new ATOM 0 HG22 THR A 98 54.444 -0.686 8.039 1.00 25.00 H new ATOM 0 HG23 THR A 98 52.896 -0.434 7.196 1.00 25.00 H new ATOM 1532 N GLY A 99 52.871 -1.116 11.883 1.00 25.00 N ATOM 1533 CA GLY A 99 53.580 -1.853 12.919 1.00 25.00 C ATOM 1534 C GLY A 99 54.130 -1.024 14.062 1.00 25.00 C ATOM 1535 O GLY A 99 54.607 -1.582 15.058 1.00 25.00 O ATOM 0 H GLY A 99 51.863 -1.063 12.031 1.00 25.00 H new ATOM 0 HA2 GLY A 99 52.905 -2.603 13.331 1.00 25.00 H new ATOM 0 HA3 GLY A 99 54.407 -2.390 12.454 1.00 25.00 H new ATOM 1539 N GLY A 100 54.060 0.294 13.944 1.00 25.00 N ATOM 1540 CA GLY A 100 54.601 1.181 14.964 1.00 25.00 C ATOM 1541 C GLY A 100 56.051 1.507 14.701 1.00 25.00 C ATOM 1542 O GLY A 100 56.395 1.781 13.531 1.00 25.00 O ATOM 0 H GLY A 100 53.633 0.773 13.151 1.00 25.00 H new ATOM 0 HA2 GLY A 100 54.019 2.102 14.992 1.00 25.00 H new ATOM 0 HA3 GLY A 100 54.504 0.713 15.943 1.00 25.00 H new TER 1546 GLY A 100