USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 814 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 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 47 LYS NZ :NH3+ -137:sc= 0 (180deg=-1.79!) USER MOD Set 2.1: A 17 MET CE :methyl -129:sc= -0.0144 (180deg=0) USER MOD Set 2.2: A 19 THR OG1 : rot -149:sc= 0.17 USER MOD Single : A 1 ARG N :NH3+ 138:sc= -1.45 (180deg=-2.3!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -71:sc= 0.466 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-0.34) USER MOD Single : A 13 HIS : no HD1:sc= -0.135 X(o=-0.13,f=-0.25) USER MOD Single : A 14 ASN : amide:sc= -0.804 K(o=-0.8,f=-0.17) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0.213 X(o=0.21,f=0) USER MOD Single : A 22 THR OG1 : rot -50:sc= 1.01 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0749 X(o=-0.075,f=0) USER MOD Single : A 31 ASN : amide:sc= -6.51! C(o=-6.5!,f=-4.4!) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.796 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot -63:sc= 1.18 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.24) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.27 K(o=-0.27,f=-3.2!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc=-0.00289 X(o=-0.0029,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.348 K(o=-0.35,f=-3.2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 175:sc= 0 (180deg=-0.029) USER MOD Single : A 75 GLN : amide:sc= -0.0657 X(o=-0.066,f=-0.53) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc=-0.00227 X(o=-0.0023,f=-0.03) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= -10.1! C(o=-10!,f=-16!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.233 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -65:sc= 1.01 USER MOD Single : A 92 GLN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 58.613 -5.778 -29.096 1.00 0.00 N ATOM 2 CA ARG A 1 58.420 -7.187 -28.800 1.00 0.00 C ATOM 3 C ARG A 1 57.043 -7.413 -28.173 1.00 0.00 C ATOM 4 O ARG A 1 56.380 -8.408 -28.464 1.00 0.00 O ATOM 5 CB ARG A 1 59.498 -7.703 -27.846 1.00 0.00 C ATOM 6 CG ARG A 1 59.728 -6.721 -26.695 1.00 0.00 C ATOM 7 CD ARG A 1 59.362 -7.355 -25.352 1.00 0.00 C ATOM 8 NE ARG A 1 60.587 -7.599 -24.557 1.00 0.00 N ATOM 9 CZ ARG A 1 61.326 -8.726 -24.633 1.00 0.00 C ATOM 10 NH1 ARG A 1 60.971 -9.724 -25.470 1.00 0.00 N ATOM 11 NH2 ARG A 1 62.402 -8.838 -23.877 1.00 0.00 N ATOM 0 H1 ARG A 1 59.579 -5.497 -28.833 1.00 0.00 H new ATOM 0 H2 ARG A 1 58.469 -5.614 -30.113 1.00 0.00 H new ATOM 0 H3 ARG A 1 57.929 -5.213 -28.554 1.00 0.00 H new ATOM 0 HA ARG A 1 58.491 -7.736 -29.739 1.00 0.00 H new ATOM 0 HB2 ARG A 1 59.201 -8.673 -27.447 1.00 0.00 H new ATOM 0 HB3 ARG A 1 60.429 -7.854 -28.392 1.00 0.00 H new ATOM 0 HG2 ARG A 1 60.772 -6.409 -26.681 1.00 0.00 H new ATOM 0 HG3 ARG A 1 59.130 -5.824 -26.853 1.00 0.00 H new ATOM 0 HD2 ARG A 1 58.687 -6.699 -24.803 1.00 0.00 H new ATOM 0 HD3 ARG A 1 58.832 -8.293 -25.516 1.00 0.00 H new ATOM 0 HE ARG A 1 60.891 -6.870 -23.912 1.00 0.00 H new ATOM 0 HH11 ARG A 1 60.138 -9.630 -26.052 1.00 0.00 H new ATOM 0 HH12 ARG A 1 61.535 -10.572 -25.521 1.00 0.00 H new ATOM 0 HH21 ARG A 1 62.664 -8.080 -23.247 1.00 0.00 H new ATOM 0 HH22 ARG A 1 62.971 -9.683 -23.922 1.00 0.00 H new ATOM 24 N LYS A 2 56.653 -6.474 -27.324 1.00 0.00 N ATOM 25 CA LYS A 2 55.367 -6.559 -26.653 1.00 0.00 C ATOM 26 C LYS A 2 55.240 -7.923 -25.973 1.00 0.00 C ATOM 27 O LYS A 2 54.694 -8.861 -26.551 1.00 0.00 O ATOM 28 CB LYS A 2 54.231 -6.252 -27.631 1.00 0.00 C ATOM 29 CG LYS A 2 53.025 -5.656 -26.901 1.00 0.00 C ATOM 30 CD LYS A 2 52.229 -6.745 -26.179 1.00 0.00 C ATOM 31 CE LYS A 2 50.747 -6.680 -26.555 1.00 0.00 C ATOM 32 NZ LYS A 2 50.117 -8.012 -26.410 1.00 0.00 N ATOM 0 H LYS A 2 57.205 -5.650 -27.085 1.00 0.00 H new ATOM 0 HA LYS A 2 55.296 -5.804 -25.870 1.00 0.00 H new ATOM 0 HB2 LYS A 2 54.580 -5.555 -28.393 1.00 0.00 H new ATOM 0 HB3 LYS A 2 53.934 -7.165 -28.147 1.00 0.00 H new ATOM 0 HG2 LYS A 2 53.363 -4.910 -26.182 1.00 0.00 H new ATOM 0 HG3 LYS A 2 52.381 -5.142 -27.614 1.00 0.00 H new ATOM 0 HD2 LYS A 2 52.631 -7.725 -26.436 1.00 0.00 H new ATOM 0 HD3 LYS A 2 52.340 -6.628 -25.101 1.00 0.00 H new ATOM 0 HE2 LYS A 2 50.235 -5.958 -25.919 1.00 0.00 H new ATOM 0 HE3 LYS A 2 50.641 -6.331 -27.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 49.112 -7.951 -26.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 50.595 -8.692 -27.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 50.202 -8.330 -25.424 1.00 0.00 H new ATOM 45 N LEU A 3 55.755 -7.991 -24.753 1.00 0.00 N ATOM 46 CA LEU A 3 55.706 -9.226 -23.988 1.00 0.00 C ATOM 47 C LEU A 3 55.978 -8.918 -22.514 1.00 0.00 C ATOM 48 O LEU A 3 55.059 -8.914 -21.697 1.00 0.00 O ATOM 49 CB LEU A 3 56.658 -10.264 -24.585 1.00 0.00 C ATOM 50 CG LEU A 3 56.231 -11.726 -24.442 1.00 0.00 C ATOM 51 CD1 LEU A 3 56.191 -12.422 -25.803 1.00 0.00 C ATOM 52 CD2 LEU A 3 57.129 -12.464 -23.447 1.00 0.00 C ATOM 0 H LEU A 3 56.208 -7.211 -24.276 1.00 0.00 H new ATOM 0 HA LEU A 3 54.712 -9.670 -24.044 1.00 0.00 H new ATOM 0 HB2 LEU A 3 56.784 -10.045 -25.645 1.00 0.00 H new ATOM 0 HB3 LEU A 3 57.635 -10.144 -24.116 1.00 0.00 H new ATOM 0 HG LEU A 3 55.218 -11.748 -24.040 1.00 0.00 H new ATOM 0 HD11 LEU A 3 55.885 -13.460 -25.672 1.00 0.00 H new ATOM 0 HD12 LEU A 3 55.478 -11.912 -26.452 1.00 0.00 H new ATOM 0 HD13 LEU A 3 57.181 -12.391 -26.257 1.00 0.00 H new ATOM 0 HD21 LEU A 3 56.804 -13.501 -23.364 1.00 0.00 H new ATOM 0 HD22 LEU A 3 58.161 -12.434 -23.797 1.00 0.00 H new ATOM 0 HD23 LEU A 3 57.062 -11.983 -22.471 1.00 0.00 H new ATOM 64 N GLU A 4 57.245 -8.667 -22.219 1.00 0.00 N ATOM 65 CA GLU A 4 57.650 -8.359 -20.858 1.00 0.00 C ATOM 66 C GLU A 4 57.067 -7.013 -20.423 1.00 0.00 C ATOM 67 O GLU A 4 57.754 -5.993 -20.463 1.00 0.00 O ATOM 68 CB GLU A 4 59.174 -8.366 -20.724 1.00 0.00 C ATOM 69 CG GLU A 4 59.596 -8.490 -19.259 1.00 0.00 C ATOM 70 CD GLU A 4 61.058 -8.925 -19.144 1.00 0.00 C ATOM 71 OE1 GLU A 4 61.956 -8.071 -19.099 1.00 0.00 O ATOM 72 OE2 GLU A 4 61.246 -10.200 -19.101 1.00 0.00 O ATOM 0 H GLU A 4 58.005 -8.671 -22.899 1.00 0.00 H new ATOM 0 HA GLU A 4 57.257 -9.133 -20.199 1.00 0.00 H new ATOM 0 HB2 GLU A 4 59.589 -9.195 -21.297 1.00 0.00 H new ATOM 0 HB3 GLU A 4 59.584 -7.449 -21.148 1.00 0.00 H new ATOM 0 HG2 GLU A 4 59.457 -7.534 -18.755 1.00 0.00 H new ATOM 0 HG3 GLU A 4 58.957 -9.213 -18.753 1.00 0.00 H new ATOM 80 N LEU A 5 55.807 -7.054 -20.017 1.00 0.00 N ATOM 81 CA LEU A 5 55.124 -5.850 -19.575 1.00 0.00 C ATOM 82 C LEU A 5 55.575 -5.505 -18.154 1.00 0.00 C ATOM 83 O LEU A 5 56.325 -6.260 -17.537 1.00 0.00 O ATOM 84 CB LEU A 5 53.609 -6.010 -19.717 1.00 0.00 C ATOM 85 CG LEU A 5 52.963 -7.083 -18.838 1.00 0.00 C ATOM 86 CD1 LEU A 5 51.814 -6.498 -18.014 1.00 0.00 C ATOM 87 CD2 LEU A 5 52.514 -8.281 -19.677 1.00 0.00 C ATOM 0 H LEU A 5 55.241 -7.902 -19.985 1.00 0.00 H new ATOM 0 HA LEU A 5 55.393 -5.005 -20.209 1.00 0.00 H new ATOM 0 HB2 LEU A 5 53.140 -5.052 -19.491 1.00 0.00 H new ATOM 0 HB3 LEU A 5 53.384 -6.238 -20.759 1.00 0.00 H new ATOM 0 HG LEU A 5 53.712 -7.445 -18.134 1.00 0.00 H new ATOM 0 HD11 LEU A 5 51.372 -7.281 -17.398 1.00 0.00 H new ATOM 0 HD12 LEU A 5 52.194 -5.703 -17.372 1.00 0.00 H new ATOM 0 HD13 LEU A 5 51.056 -6.092 -18.684 1.00 0.00 H new ATOM 0 HD21 LEU A 5 52.058 -9.029 -19.028 1.00 0.00 H new ATOM 0 HD22 LEU A 5 51.787 -7.953 -20.420 1.00 0.00 H new ATOM 0 HD23 LEU A 5 53.377 -8.716 -20.182 1.00 0.00 H new ATOM 99 N THR A 6 55.099 -4.365 -17.676 1.00 0.00 N ATOM 100 CA THR A 6 55.444 -3.911 -16.340 1.00 0.00 C ATOM 101 C THR A 6 56.930 -4.150 -16.062 1.00 0.00 C ATOM 102 O THR A 6 57.292 -5.115 -15.390 1.00 0.00 O ATOM 103 CB THR A 6 54.519 -4.618 -15.347 1.00 0.00 C ATOM 104 OG1 THR A 6 55.130 -4.390 -14.080 1.00 0.00 O ATOM 105 CG2 THR A 6 54.545 -6.140 -15.504 1.00 0.00 C ATOM 0 H THR A 6 54.477 -3.742 -18.191 1.00 0.00 H new ATOM 0 HA THR A 6 55.295 -2.836 -16.237 1.00 0.00 H new ATOM 0 HB THR A 6 53.499 -4.256 -15.481 1.00 0.00 H new ATOM 0 HG1 THR A 6 55.956 -4.913 -14.016 1.00 0.00 H new ATOM 0 HG21 THR A 6 53.872 -6.592 -14.776 1.00 0.00 H new ATOM 0 HG22 THR A 6 54.224 -6.407 -16.511 1.00 0.00 H new ATOM 0 HG23 THR A 6 55.558 -6.506 -15.337 1.00 0.00 H new ATOM 113 N LYS A 7 57.750 -3.256 -16.594 1.00 0.00 N ATOM 114 CA LYS A 7 59.188 -3.357 -16.412 1.00 0.00 C ATOM 115 C LYS A 7 59.569 -4.825 -16.204 1.00 0.00 C ATOM 116 O LYS A 7 59.056 -5.706 -16.892 1.00 0.00 O ATOM 117 CB LYS A 7 59.651 -2.436 -15.283 1.00 0.00 C ATOM 118 CG LYS A 7 58.968 -1.070 -15.374 1.00 0.00 C ATOM 119 CD LYS A 7 58.681 -0.506 -13.981 1.00 0.00 C ATOM 120 CE LYS A 7 59.907 0.214 -13.417 1.00 0.00 C ATOM 121 NZ LYS A 7 59.556 1.593 -13.008 1.00 0.00 N ATOM 0 H LYS A 7 57.446 -2.458 -17.152 1.00 0.00 H new ATOM 0 HA LYS A 7 59.710 -3.015 -17.305 1.00 0.00 H new ATOM 0 HB2 LYS A 7 59.427 -2.895 -14.320 1.00 0.00 H new ATOM 0 HB3 LYS A 7 60.733 -2.310 -15.332 1.00 0.00 H new ATOM 0 HG2 LYS A 7 59.603 -0.378 -15.926 1.00 0.00 H new ATOM 0 HG3 LYS A 7 58.036 -1.162 -15.932 1.00 0.00 H new ATOM 0 HD2 LYS A 7 57.840 0.186 -14.031 1.00 0.00 H new ATOM 0 HD3 LYS A 7 58.389 -1.314 -13.311 1.00 0.00 H new ATOM 0 HE2 LYS A 7 60.298 -0.337 -12.562 1.00 0.00 H new ATOM 0 HE3 LYS A 7 60.697 0.241 -14.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 60.400 2.068 -12.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 59.204 2.121 -13.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 58.817 1.561 -12.277 1.00 0.00 H new ATOM 134 N ALA A 8 60.465 -5.041 -15.253 1.00 0.00 N ATOM 135 CA ALA A 8 60.921 -6.386 -14.946 1.00 0.00 C ATOM 136 C ALA A 8 61.303 -6.465 -13.467 1.00 0.00 C ATOM 137 O ALA A 8 60.912 -7.400 -12.770 1.00 0.00 O ATOM 138 CB ALA A 8 62.084 -6.755 -15.870 1.00 0.00 C ATOM 0 H ALA A 8 60.888 -4.307 -14.685 1.00 0.00 H new ATOM 0 HA ALA A 8 60.125 -7.110 -15.120 1.00 0.00 H new ATOM 0 HB1 ALA A 8 62.426 -7.764 -15.639 1.00 0.00 H new ATOM 0 HB2 ALA A 8 61.752 -6.712 -16.907 1.00 0.00 H new ATOM 0 HB3 ALA A 8 62.903 -6.052 -15.722 1.00 0.00 H new ATOM 144 N GLU A 9 62.063 -5.471 -13.031 1.00 0.00 N ATOM 145 CA GLU A 9 62.503 -5.417 -11.647 1.00 0.00 C ATOM 146 C GLU A 9 62.967 -6.798 -11.183 1.00 0.00 C ATOM 147 O GLU A 9 62.336 -7.413 -10.324 1.00 0.00 O ATOM 148 CB GLU A 9 61.395 -4.877 -10.741 1.00 0.00 C ATOM 149 CG GLU A 9 61.596 -3.387 -10.456 1.00 0.00 C ATOM 150 CD GLU A 9 61.062 -3.017 -9.071 1.00 0.00 C ATOM 151 OE1 GLU A 9 61.849 -2.689 -8.170 1.00 0.00 O ATOM 152 OE2 GLU A 9 59.779 -3.076 -8.947 1.00 0.00 O ATOM 0 H GLU A 9 62.385 -4.697 -13.612 1.00 0.00 H new ATOM 0 HA GLU A 9 63.348 -4.731 -11.581 1.00 0.00 H new ATOM 0 HB2 GLU A 9 60.425 -5.033 -11.214 1.00 0.00 H new ATOM 0 HB3 GLU A 9 61.385 -5.432 -9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 9 62.656 -3.141 -10.519 1.00 0.00 H new ATOM 0 HG3 GLU A 9 61.086 -2.796 -11.216 1.00 0.00 H new ATOM 160 N LYS A 10 64.066 -7.247 -11.771 1.00 0.00 N ATOM 161 CA LYS A 10 64.622 -8.545 -11.428 1.00 0.00 C ATOM 162 C LYS A 10 63.485 -9.501 -11.062 1.00 0.00 C ATOM 163 O LYS A 10 63.281 -9.808 -9.889 1.00 0.00 O ATOM 164 CB LYS A 10 65.682 -8.402 -10.334 1.00 0.00 C ATOM 165 CG LYS A 10 66.368 -7.036 -10.410 1.00 0.00 C ATOM 166 CD LYS A 10 67.368 -6.861 -9.265 1.00 0.00 C ATOM 167 CE LYS A 10 68.362 -8.023 -9.223 1.00 0.00 C ATOM 168 NZ LYS A 10 69.739 -7.519 -9.021 1.00 0.00 N ATOM 0 H LYS A 10 64.587 -6.735 -12.483 1.00 0.00 H new ATOM 0 HA LYS A 10 65.139 -8.977 -12.285 1.00 0.00 H new ATOM 0 HB2 LYS A 10 65.219 -8.526 -9.355 1.00 0.00 H new ATOM 0 HB3 LYS A 10 66.425 -9.192 -10.437 1.00 0.00 H new ATOM 0 HG2 LYS A 10 66.883 -6.936 -11.366 1.00 0.00 H new ATOM 0 HG3 LYS A 10 65.619 -6.246 -10.367 1.00 0.00 H new ATOM 0 HD2 LYS A 10 67.907 -5.921 -9.388 1.00 0.00 H new ATOM 0 HD3 LYS A 10 66.834 -6.800 -8.317 1.00 0.00 H new ATOM 0 HE2 LYS A 10 68.097 -8.707 -8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 10 68.308 -8.589 -10.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 70.402 -8.320 -8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 69.995 -6.884 -9.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 69.790 -6.998 -8.122 1.00 0.00 H new ATOM 181 N HIS A 11 62.775 -9.946 -12.089 1.00 0.00 N ATOM 182 CA HIS A 11 61.664 -10.861 -11.890 1.00 0.00 C ATOM 183 C HIS A 11 60.484 -10.109 -11.271 1.00 0.00 C ATOM 184 O HIS A 11 60.598 -8.928 -10.946 1.00 0.00 O ATOM 185 CB HIS A 11 62.098 -12.070 -11.059 1.00 0.00 C ATOM 186 CG HIS A 11 63.346 -12.750 -11.569 1.00 0.00 C ATOM 187 ND1 HIS A 11 63.339 -14.026 -12.104 1.00 0.00 N ATOM 188 CD2 HIS A 11 64.639 -12.318 -11.621 1.00 0.00 C ATOM 189 CE1 HIS A 11 64.577 -14.338 -12.459 1.00 0.00 C ATOM 190 NE2 HIS A 11 65.381 -13.278 -12.158 1.00 0.00 N ATOM 0 H HIS A 11 62.948 -9.690 -13.061 1.00 0.00 H new ATOM 0 HA HIS A 11 61.335 -11.254 -12.852 1.00 0.00 H new ATOM 0 HB2 HIS A 11 62.266 -11.750 -10.031 1.00 0.00 H new ATOM 0 HB3 HIS A 11 61.284 -12.795 -11.039 1.00 0.00 H new ATOM 0 HD2 HIS A 11 64.998 -11.357 -11.282 1.00 0.00 H new ATOM 0 HE1 HIS A 11 64.894 -15.268 -12.908 1.00 0.00 H new ATOM 0 HE2 HIS A 11 66.387 -13.231 -12.319 1.00 0.00 H new ATOM 198 N VAL A 12 59.378 -10.824 -11.127 1.00 0.00 N ATOM 199 CA VAL A 12 58.178 -10.239 -10.553 1.00 0.00 C ATOM 200 C VAL A 12 57.649 -11.154 -9.447 1.00 0.00 C ATOM 201 O VAL A 12 56.568 -10.922 -8.908 1.00 0.00 O ATOM 202 CB VAL A 12 57.148 -9.973 -11.652 1.00 0.00 C ATOM 203 CG1 VAL A 12 56.200 -11.163 -11.814 1.00 0.00 C ATOM 204 CG2 VAL A 12 56.370 -8.686 -11.375 1.00 0.00 C ATOM 0 H VAL A 12 59.288 -11.803 -11.398 1.00 0.00 H new ATOM 0 HA VAL A 12 58.404 -9.275 -10.098 1.00 0.00 H new ATOM 0 HB VAL A 12 57.686 -9.843 -12.591 1.00 0.00 H new ATOM 0 HG11 VAL A 12 55.478 -10.948 -12.601 1.00 0.00 H new ATOM 0 HG12 VAL A 12 56.773 -12.051 -12.080 1.00 0.00 H new ATOM 0 HG13 VAL A 12 55.673 -11.339 -10.876 1.00 0.00 H new ATOM 0 HG21 VAL A 12 55.645 -8.521 -12.172 1.00 0.00 H new ATOM 0 HG22 VAL A 12 55.849 -8.774 -10.422 1.00 0.00 H new ATOM 0 HG23 VAL A 12 57.062 -7.844 -11.334 1.00 0.00 H new ATOM 214 N HIS A 13 58.437 -12.175 -9.140 1.00 0.00 N ATOM 215 CA HIS A 13 58.061 -13.126 -8.107 1.00 0.00 C ATOM 216 C HIS A 13 58.104 -12.441 -6.739 1.00 0.00 C ATOM 217 O HIS A 13 59.029 -12.663 -5.959 1.00 0.00 O ATOM 218 CB HIS A 13 58.941 -14.375 -8.173 1.00 0.00 C ATOM 219 CG HIS A 13 58.215 -15.614 -8.640 1.00 0.00 C ATOM 220 ND1 HIS A 13 57.224 -15.583 -9.605 1.00 0.00 N ATOM 221 CD2 HIS A 13 58.347 -16.919 -8.265 1.00 0.00 C ATOM 222 CE1 HIS A 13 56.786 -16.819 -9.794 1.00 0.00 C ATOM 223 NE2 HIS A 13 57.483 -17.645 -8.963 1.00 0.00 N ATOM 0 H HIS A 13 59.333 -12.364 -9.588 1.00 0.00 H new ATOM 0 HA HIS A 13 57.038 -13.464 -8.273 1.00 0.00 H new ATOM 0 HB2 HIS A 13 59.778 -14.182 -8.844 1.00 0.00 H new ATOM 0 HB3 HIS A 13 59.361 -14.563 -7.185 1.00 0.00 H new ATOM 0 HD2 HIS A 13 59.037 -17.297 -7.526 1.00 0.00 H new ATOM 0 HE1 HIS A 13 56.012 -17.120 -10.485 1.00 0.00 H new ATOM 0 HE2 HIS A 13 57.360 -18.655 -8.890 1.00 0.00 H new ATOM 231 N ASN A 14 57.092 -11.623 -6.491 1.00 0.00 N ATOM 232 CA ASN A 14 57.002 -10.905 -5.231 1.00 0.00 C ATOM 233 C ASN A 14 58.364 -10.291 -4.901 1.00 0.00 C ATOM 234 O ASN A 14 59.214 -10.943 -4.296 1.00 0.00 O ATOM 235 CB ASN A 14 56.618 -11.846 -4.087 1.00 0.00 C ATOM 236 CG ASN A 14 56.200 -11.056 -2.845 1.00 0.00 C ATOM 237 OD1 ASN A 14 55.032 -10.955 -2.506 1.00 0.00 O ATOM 238 ND2 ASN A 14 57.216 -10.504 -2.187 1.00 0.00 N ATOM 0 H ASN A 14 56.327 -11.441 -7.141 1.00 0.00 H new ATOM 0 HA ASN A 14 56.238 -10.134 -5.336 1.00 0.00 H new ATOM 0 HB2 ASN A 14 55.800 -12.494 -4.403 1.00 0.00 H new ATOM 0 HB3 ASN A 14 57.461 -12.493 -3.844 1.00 0.00 H new ATOM 0 HD21 ASN A 14 57.041 -9.957 -1.344 1.00 0.00 H new ATOM 0 HD22 ASN A 14 58.170 -10.628 -2.525 1.00 0.00 H new ATOM 245 N PHE A 15 58.530 -9.043 -5.313 1.00 0.00 N ATOM 246 CA PHE A 15 59.775 -8.333 -5.069 1.00 0.00 C ATOM 247 C PHE A 15 59.606 -7.297 -3.956 1.00 0.00 C ATOM 248 O PHE A 15 59.782 -6.101 -4.184 1.00 0.00 O ATOM 249 CB PHE A 15 60.141 -7.613 -6.368 1.00 0.00 C ATOM 250 CG PHE A 15 61.637 -7.330 -6.522 1.00 0.00 C ATOM 251 CD1 PHE A 15 62.531 -8.354 -6.476 1.00 0.00 C ATOM 252 CD2 PHE A 15 62.073 -6.055 -6.706 1.00 0.00 C ATOM 253 CE1 PHE A 15 63.919 -8.091 -6.619 1.00 0.00 C ATOM 254 CE2 PHE A 15 63.461 -5.792 -6.848 1.00 0.00 C ATOM 255 CZ PHE A 15 64.355 -6.816 -6.802 1.00 0.00 C ATOM 0 H PHE A 15 57.823 -8.505 -5.814 1.00 0.00 H new ATOM 0 HA PHE A 15 60.550 -9.035 -4.761 1.00 0.00 H new ATOM 0 HB2 PHE A 15 59.807 -8.216 -7.212 1.00 0.00 H new ATOM 0 HB3 PHE A 15 59.596 -6.670 -6.415 1.00 0.00 H new ATOM 0 HD1 PHE A 15 62.185 -9.367 -6.331 1.00 0.00 H new ATOM 0 HD2 PHE A 15 61.363 -5.242 -6.744 1.00 0.00 H new ATOM 0 HE1 PHE A 15 64.629 -8.904 -6.582 1.00 0.00 H new ATOM 0 HE2 PHE A 15 63.807 -4.779 -6.993 1.00 0.00 H new ATOM 0 HZ PHE A 15 65.411 -6.617 -6.911 1.00 0.00 H new ATOM 265 N MET A 16 59.266 -7.794 -2.776 1.00 0.00 N ATOM 266 CA MET A 16 59.071 -6.926 -1.627 1.00 0.00 C ATOM 267 C MET A 16 58.392 -5.618 -2.036 1.00 0.00 C ATOM 268 O MET A 16 59.024 -4.563 -2.045 1.00 0.00 O ATOM 269 CB MET A 16 60.425 -6.619 -0.983 1.00 0.00 C ATOM 270 CG MET A 16 60.960 -7.835 -0.224 1.00 0.00 C ATOM 271 SD MET A 16 62.024 -7.305 1.107 1.00 0.00 S ATOM 272 CE MET A 16 62.858 -8.841 1.468 1.00 0.00 C ATOM 0 H MET A 16 59.121 -8.786 -2.591 1.00 0.00 H new ATOM 0 HA MET A 16 58.427 -7.440 -0.913 1.00 0.00 H new ATOM 0 HB2 MET A 16 61.139 -6.323 -1.752 1.00 0.00 H new ATOM 0 HB3 MET A 16 60.324 -5.775 -0.300 1.00 0.00 H new ATOM 0 HG2 MET A 16 60.130 -8.420 0.174 1.00 0.00 H new ATOM 0 HG3 MET A 16 61.511 -8.485 -0.904 1.00 0.00 H new ATOM 0 HE1 MET A 16 63.565 -8.688 2.283 1.00 0.00 H new ATOM 0 HE2 MET A 16 62.125 -9.593 1.760 1.00 0.00 H new ATOM 0 HE3 MET A 16 63.394 -9.181 0.582 1.00 0.00 H new ATOM 282 N MET A 17 57.114 -5.730 -2.365 1.00 0.00 N ATOM 283 CA MET A 17 56.342 -4.569 -2.775 1.00 0.00 C ATOM 284 C MET A 17 54.873 -4.716 -2.371 1.00 0.00 C ATOM 285 O MET A 17 54.292 -3.804 -1.786 1.00 0.00 O ATOM 286 CB MET A 17 56.440 -4.400 -4.292 1.00 0.00 C ATOM 287 CG MET A 17 55.836 -5.604 -5.018 1.00 0.00 C ATOM 288 SD MET A 17 56.316 -5.585 -6.737 1.00 0.00 S ATOM 289 CE MET A 17 54.942 -6.473 -7.452 1.00 0.00 C ATOM 0 H MET A 17 56.593 -6.607 -2.356 1.00 0.00 H new ATOM 0 HA MET A 17 56.750 -3.690 -2.276 1.00 0.00 H new ATOM 0 HB2 MET A 17 55.921 -3.491 -4.594 1.00 0.00 H new ATOM 0 HB3 MET A 17 57.484 -4.282 -4.582 1.00 0.00 H new ATOM 0 HG2 MET A 17 56.172 -6.528 -4.548 1.00 0.00 H new ATOM 0 HG3 MET A 17 54.749 -5.581 -4.935 1.00 0.00 H new ATOM 0 HE1 MET A 17 55.318 -7.279 -8.083 1.00 0.00 H new ATOM 0 HE2 MET A 17 54.326 -6.892 -6.656 1.00 0.00 H new ATOM 0 HE3 MET A 17 54.342 -5.791 -8.054 1.00 0.00 H new ATOM 299 N ASP A 18 54.316 -5.873 -2.699 1.00 0.00 N ATOM 300 CA ASP A 18 52.927 -6.152 -2.377 1.00 0.00 C ATOM 301 C ASP A 18 52.051 -5.000 -2.875 1.00 0.00 C ATOM 302 O ASP A 18 51.296 -4.411 -2.103 1.00 0.00 O ATOM 303 CB ASP A 18 52.726 -6.279 -0.866 1.00 0.00 C ATOM 304 CG ASP A 18 53.379 -7.506 -0.228 1.00 0.00 C ATOM 305 OD1 ASP A 18 52.719 -8.527 0.015 1.00 0.00 O ATOM 306 OD2 ASP A 18 54.638 -7.384 0.026 1.00 0.00 O ATOM 0 H ASP A 18 54.801 -6.628 -3.184 1.00 0.00 H new ATOM 0 HA ASP A 18 52.652 -7.091 -2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 18 53.122 -5.384 -0.386 1.00 0.00 H new ATOM 0 HB3 ASP A 18 51.656 -6.306 -0.658 1.00 0.00 H new ATOM 312 N THR A 19 52.183 -4.712 -4.162 1.00 0.00 N ATOM 313 CA THR A 19 51.413 -3.641 -4.772 1.00 0.00 C ATOM 314 C THR A 19 49.994 -3.612 -4.201 1.00 0.00 C ATOM 315 O THR A 19 49.661 -2.739 -3.401 1.00 0.00 O ATOM 316 CB THR A 19 51.454 -3.835 -6.289 1.00 0.00 C ATOM 317 OG1 THR A 19 52.724 -4.437 -6.528 1.00 0.00 O ATOM 318 CG2 THR A 19 51.523 -2.507 -7.047 1.00 0.00 C ATOM 0 H THR A 19 52.812 -5.202 -4.799 1.00 0.00 H new ATOM 0 HA THR A 19 51.841 -2.665 -4.543 1.00 0.00 H new ATOM 0 HB THR A 19 50.572 -4.390 -6.608 1.00 0.00 H new ATOM 0 HG1 THR A 19 53.054 -4.165 -7.410 1.00 0.00 H new ATOM 0 HG21 THR A 19 51.550 -2.701 -8.119 1.00 0.00 H new ATOM 0 HG22 THR A 19 50.645 -1.906 -6.809 1.00 0.00 H new ATOM 0 HG23 THR A 19 52.423 -1.967 -6.753 1.00 0.00 H new ATOM 326 N GLN A 20 49.197 -4.577 -4.635 1.00 0.00 N ATOM 327 CA GLN A 20 47.821 -4.673 -4.177 1.00 0.00 C ATOM 328 C GLN A 20 47.251 -6.057 -4.494 1.00 0.00 C ATOM 329 O GLN A 20 46.300 -6.179 -5.265 1.00 0.00 O ATOM 330 CB GLN A 20 46.959 -3.571 -4.795 1.00 0.00 C ATOM 331 CG GLN A 20 47.259 -3.412 -6.287 1.00 0.00 C ATOM 332 CD GLN A 20 45.989 -3.068 -7.068 1.00 0.00 C ATOM 333 OE1 GLN A 20 45.800 -1.958 -7.538 1.00 0.00 O ATOM 334 NE2 GLN A 20 45.131 -4.079 -7.178 1.00 0.00 N ATOM 0 H GLN A 20 49.477 -5.299 -5.299 1.00 0.00 H new ATOM 0 HA GLN A 20 47.809 -4.535 -3.096 1.00 0.00 H new ATOM 0 HB2 GLN A 20 45.904 -3.808 -4.656 1.00 0.00 H new ATOM 0 HB3 GLN A 20 47.144 -2.628 -4.281 1.00 0.00 H new ATOM 0 HG2 GLN A 20 48.002 -2.628 -6.431 1.00 0.00 H new ATOM 0 HG3 GLN A 20 47.690 -4.335 -6.675 1.00 0.00 H new ATOM 0 HE21 GLN A 20 45.352 -4.983 -6.760 1.00 0.00 H new ATOM 0 HE22 GLN A 20 44.253 -3.950 -7.680 1.00 0.00 H new ATOM 343 N LEU A 21 47.857 -7.066 -3.884 1.00 0.00 N ATOM 344 CA LEU A 21 47.422 -8.436 -4.092 1.00 0.00 C ATOM 345 C LEU A 21 46.566 -8.881 -2.904 1.00 0.00 C ATOM 346 O LEU A 21 45.898 -9.912 -2.967 1.00 0.00 O ATOM 347 CB LEU A 21 48.623 -9.345 -4.359 1.00 0.00 C ATOM 348 CG LEU A 21 49.952 -8.899 -3.744 1.00 0.00 C ATOM 349 CD1 LEU A 21 50.496 -7.659 -4.456 1.00 0.00 C ATOM 350 CD2 LEU A 21 49.812 -8.679 -2.236 1.00 0.00 C ATOM 0 H LEU A 21 48.646 -6.961 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 21 46.795 -8.506 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 21 48.389 -10.342 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 21 48.755 -9.432 -5.437 1.00 0.00 H new ATOM 0 HG LEU A 21 50.680 -9.698 -3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 21 51.441 -7.363 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 21 50.657 -7.886 -5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 21 49.778 -6.844 -4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 21 50.770 -8.363 -1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 21 49.064 -7.908 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 21 49.502 -9.609 -1.760 1.00 0.00 H new ATOM 362 N THR A 22 46.614 -8.081 -1.849 1.00 0.00 N ATOM 363 CA THR A 22 45.852 -8.380 -0.648 1.00 0.00 C ATOM 364 C THR A 22 45.406 -7.085 0.035 1.00 0.00 C ATOM 365 O THR A 22 45.256 -7.044 1.256 1.00 0.00 O ATOM 366 CB THR A 22 46.710 -9.275 0.247 1.00 0.00 C ATOM 367 OG1 THR A 22 45.843 -9.626 1.321 1.00 0.00 O ATOM 368 CG2 THR A 22 47.849 -8.509 0.922 1.00 0.00 C ATOM 0 H THR A 22 47.168 -7.226 -1.801 1.00 0.00 H new ATOM 0 HA THR A 22 44.935 -8.919 -0.885 1.00 0.00 H new ATOM 0 HB THR A 22 47.123 -10.091 -0.346 1.00 0.00 H new ATOM 0 HG1 THR A 22 45.428 -8.816 1.685 1.00 0.00 H new ATOM 0 HG21 THR A 22 48.427 -9.191 1.546 1.00 0.00 H new ATOM 0 HG22 THR A 22 48.498 -8.076 0.161 1.00 0.00 H new ATOM 0 HG23 THR A 22 47.435 -7.713 1.542 1.00 0.00 H new ATOM 376 N LYS A 23 45.207 -6.061 -0.781 1.00 0.00 N ATOM 377 CA LYS A 23 44.781 -4.769 -0.270 1.00 0.00 C ATOM 378 C LYS A 23 43.423 -4.920 0.419 1.00 0.00 C ATOM 379 O LYS A 23 42.575 -5.687 -0.034 1.00 0.00 O ATOM 380 CB LYS A 23 44.792 -3.722 -1.385 1.00 0.00 C ATOM 381 CG LYS A 23 43.425 -3.634 -2.068 1.00 0.00 C ATOM 382 CD LYS A 23 43.578 -3.393 -3.571 1.00 0.00 C ATOM 383 CE LYS A 23 42.262 -2.913 -4.186 1.00 0.00 C ATOM 384 NZ LYS A 23 42.516 -2.178 -5.445 1.00 0.00 N ATOM 0 H LYS A 23 45.333 -6.099 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 23 45.482 -4.407 0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 23 45.060 -2.749 -0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 23 45.555 -3.977 -2.121 1.00 0.00 H new ATOM 0 HG2 LYS A 23 42.870 -4.557 -1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 23 42.844 -2.826 -1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 23 44.357 -2.651 -3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 23 43.898 -4.313 -4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 23 41.612 -3.766 -4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 23 41.738 -2.268 -3.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 41.612 -1.859 -5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 43.118 -1.353 -5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 42.996 -2.805 -6.122 1.00 0.00 H new ATOM 397 N ARG A 24 43.259 -4.176 1.503 1.00 0.00 N ATOM 398 CA ARG A 24 42.019 -4.217 2.259 1.00 0.00 C ATOM 399 C ARG A 24 41.472 -2.803 2.459 1.00 0.00 C ATOM 400 O ARG A 24 42.221 -1.829 2.400 1.00 0.00 O ATOM 401 CB ARG A 24 42.228 -4.874 3.625 1.00 0.00 C ATOM 402 CG ARG A 24 43.082 -3.988 4.534 1.00 0.00 C ATOM 403 CD ARG A 24 44.354 -4.716 4.972 1.00 0.00 C ATOM 404 NE ARG A 24 44.583 -4.510 6.419 1.00 0.00 N ATOM 405 CZ ARG A 24 45.498 -5.188 7.145 1.00 0.00 C ATOM 406 NH1 ARG A 24 46.279 -6.122 6.562 1.00 0.00 N ATOM 407 NH2 ARG A 24 45.617 -4.923 8.432 1.00 0.00 N ATOM 0 H ARG A 24 43.965 -3.541 1.876 1.00 0.00 H new ATOM 0 HA ARG A 24 41.303 -4.810 1.689 1.00 0.00 H new ATOM 0 HB2 ARG A 24 41.262 -5.059 4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 24 42.711 -5.843 3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 24 43.347 -3.070 4.009 1.00 0.00 H new ATOM 0 HG3 ARG A 24 42.504 -3.698 5.412 1.00 0.00 H new ATOM 0 HD2 ARG A 24 44.265 -5.781 4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 24 45.208 -4.347 4.404 1.00 0.00 H new ATOM 0 HE ARG A 24 44.014 -3.812 6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 24 46.180 -6.320 5.566 1.00 0.00 H new ATOM 0 HH12 ARG A 24 46.968 -6.630 7.117 1.00 0.00 H new ATOM 0 HH21 ARG A 24 45.023 -4.215 8.864 1.00 0.00 H new ATOM 0 HH22 ARG A 24 46.303 -5.426 8.995 1.00 0.00 H new ATOM 420 N VAL A 25 40.169 -2.734 2.692 1.00 0.00 N ATOM 421 CA VAL A 25 39.513 -1.454 2.901 1.00 0.00 C ATOM 422 C VAL A 25 40.089 -0.425 1.926 1.00 0.00 C ATOM 423 O VAL A 25 40.203 0.754 2.259 1.00 0.00 O ATOM 424 CB VAL A 25 39.646 -1.031 4.365 1.00 0.00 C ATOM 425 CG1 VAL A 25 38.901 0.279 4.627 1.00 0.00 C ATOM 426 CG2 VAL A 25 39.156 -2.137 5.302 1.00 0.00 C ATOM 0 H VAL A 25 39.550 -3.543 2.741 1.00 0.00 H new ATOM 0 HA VAL A 25 38.446 -1.534 2.696 1.00 0.00 H new ATOM 0 HB VAL A 25 40.703 -0.862 4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 25 39.012 0.557 5.675 1.00 0.00 H new ATOM 0 HG12 VAL A 25 39.316 1.066 3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 25 37.844 0.149 4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 25 39.261 -1.811 6.337 1.00 0.00 H new ATOM 0 HG22 VAL A 25 38.108 -2.352 5.094 1.00 0.00 H new ATOM 0 HG23 VAL A 25 39.749 -3.038 5.143 1.00 0.00 H new ATOM 436 N LYS A 26 40.438 -0.908 0.743 1.00 0.00 N ATOM 437 CA LYS A 26 40.999 -0.045 -0.282 1.00 0.00 C ATOM 438 C LYS A 26 42.504 0.103 -0.049 1.00 0.00 C ATOM 439 O LYS A 26 43.289 0.062 -0.995 1.00 0.00 O ATOM 440 CB LYS A 26 40.250 1.288 -0.330 1.00 0.00 C ATOM 441 CG LYS A 26 38.737 1.065 -0.384 1.00 0.00 C ATOM 442 CD LYS A 26 38.075 1.473 0.934 1.00 0.00 C ATOM 443 CE LYS A 26 36.708 2.113 0.685 1.00 0.00 C ATOM 444 NZ LYS A 26 35.688 1.073 0.424 1.00 0.00 N ATOM 0 H LYS A 26 40.343 -1.887 0.471 1.00 0.00 H new ATOM 0 HA LYS A 26 40.870 -0.491 -1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 26 40.502 1.883 0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 26 40.569 1.857 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 26 38.310 1.643 -1.204 1.00 0.00 H new ATOM 0 HG3 LYS A 26 38.528 0.015 -0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 26 37.960 0.598 1.574 1.00 0.00 H new ATOM 0 HD3 LYS A 26 38.718 2.174 1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 26 36.416 2.708 1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 26 36.768 2.793 -0.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 34.766 1.525 0.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 35.961 0.522 -0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 35.619 0.440 1.246 1.00 0.00 H new ATOM 457 N ASN A 27 42.861 0.273 1.215 1.00 0.00 N ATOM 458 CA ASN A 27 44.258 0.428 1.585 1.00 0.00 C ATOM 459 C ASN A 27 44.619 1.915 1.584 1.00 0.00 C ATOM 460 O ASN A 27 44.681 2.542 0.527 1.00 0.00 O ATOM 461 CB ASN A 27 45.173 -0.282 0.585 1.00 0.00 C ATOM 462 CG ASN A 27 46.506 -0.660 1.236 1.00 0.00 C ATOM 463 OD1 ASN A 27 47.559 -0.143 0.899 1.00 0.00 O ATOM 464 ND2 ASN A 27 46.402 -1.588 2.183 1.00 0.00 N ATOM 0 H ASN A 27 42.207 0.307 1.997 1.00 0.00 H new ATOM 0 HA ASN A 27 44.397 -0.009 2.574 1.00 0.00 H new ATOM 0 HB2 ASN A 27 44.681 -1.179 0.209 1.00 0.00 H new ATOM 0 HB3 ASN A 27 45.354 0.366 -0.272 1.00 0.00 H new ATOM 0 HD21 ASN A 27 47.235 -1.909 2.677 1.00 0.00 H new ATOM 0 HD22 ASN A 27 45.489 -1.979 2.416 1.00 0.00 H new ATOM 471 N ALA A 28 44.849 2.436 2.780 1.00 0.00 N ATOM 472 CA ALA A 28 45.202 3.837 2.931 1.00 0.00 C ATOM 473 C ALA A 28 43.925 4.669 3.065 1.00 0.00 C ATOM 474 O ALA A 28 43.985 5.857 3.378 1.00 0.00 O ATOM 475 CB ALA A 28 46.063 4.277 1.744 1.00 0.00 C ATOM 0 H ALA A 28 44.798 1.913 3.654 1.00 0.00 H new ATOM 0 HA ALA A 28 45.791 3.989 3.836 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.328 5.328 1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.971 3.675 1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.503 4.141 0.819 1.00 0.00 H new ATOM 481 N ALA A 29 42.801 4.013 2.821 1.00 0.00 N ATOM 482 CA ALA A 29 41.512 4.677 2.911 1.00 0.00 C ATOM 483 C ALA A 29 40.986 4.568 4.344 1.00 0.00 C ATOM 484 O ALA A 29 40.516 5.553 4.913 1.00 0.00 O ATOM 485 CB ALA A 29 40.550 4.067 1.889 1.00 0.00 C ATOM 0 H ALA A 29 42.756 3.028 2.561 1.00 0.00 H new ATOM 0 HA ALA A 29 41.609 5.737 2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 29 39.583 4.565 1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 29 40.955 4.196 0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 29 40.426 3.004 2.096 1.00 0.00 H new ATOM 491 N ALA A 30 41.082 3.363 4.886 1.00 0.00 N ATOM 492 CA ALA A 30 40.622 3.113 6.241 1.00 0.00 C ATOM 493 C ALA A 30 39.135 3.459 6.342 1.00 0.00 C ATOM 494 O ALA A 30 38.280 2.586 6.201 1.00 0.00 O ATOM 495 CB ALA A 30 41.475 3.915 7.226 1.00 0.00 C ATOM 0 H ALA A 30 41.472 2.549 4.411 1.00 0.00 H new ATOM 0 HA ALA A 30 40.734 2.059 6.496 1.00 0.00 H new ATOM 0 HB1 ALA A 30 41.130 3.727 8.243 1.00 0.00 H new ATOM 0 HB2 ALA A 30 42.518 3.612 7.135 1.00 0.00 H new ATOM 0 HB3 ALA A 30 41.386 4.978 7.003 1.00 0.00 H new ATOM 501 N ASN A 31 38.872 4.734 6.586 1.00 0.00 N ATOM 502 CA ASN A 31 37.503 5.207 6.707 1.00 0.00 C ATOM 503 C ASN A 31 37.364 6.546 5.981 1.00 0.00 C ATOM 504 O ASN A 31 36.496 7.350 6.316 1.00 0.00 O ATOM 505 CB ASN A 31 37.123 5.422 8.173 1.00 0.00 C ATOM 506 CG ASN A 31 37.300 4.134 8.981 1.00 0.00 C ATOM 507 OD1 ASN A 31 37.925 4.109 10.028 1.00 0.00 O ATOM 508 ND2 ASN A 31 36.718 3.070 8.437 1.00 0.00 N ATOM 0 H ASN A 31 39.584 5.455 6.703 1.00 0.00 H new ATOM 0 HA ASN A 31 36.846 4.454 6.271 1.00 0.00 H new ATOM 0 HB2 ASN A 31 37.741 6.211 8.600 1.00 0.00 H new ATOM 0 HB3 ASN A 31 36.088 5.757 8.239 1.00 0.00 H new ATOM 0 HD21 ASN A 31 36.780 2.163 8.899 1.00 0.00 H new ATOM 0 HD22 ASN A 31 36.210 3.161 7.557 1.00 0.00 H new ATOM 515 N VAL A 32 38.231 6.744 5.000 1.00 0.00 N ATOM 516 CA VAL A 32 38.216 7.972 4.223 1.00 0.00 C ATOM 517 C VAL A 32 38.035 9.164 5.165 1.00 0.00 C ATOM 518 O VAL A 32 37.507 10.200 4.767 1.00 0.00 O ATOM 519 CB VAL A 32 37.135 7.894 3.143 1.00 0.00 C ATOM 520 CG1 VAL A 32 37.174 6.544 2.424 1.00 0.00 C ATOM 521 CG2 VAL A 32 35.749 8.161 3.734 1.00 0.00 C ATOM 0 H VAL A 32 38.949 6.074 4.725 1.00 0.00 H new ATOM 0 HA VAL A 32 39.165 8.108 3.705 1.00 0.00 H new ATOM 0 HB VAL A 32 37.341 8.671 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 32 36.396 6.515 1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 32 38.148 6.410 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 32 37.006 5.743 3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 32 34.999 8.100 2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 32 35.531 7.418 4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 32 35.728 9.156 4.178 1.00 0.00 H new ATOM 531 N LEU A 33 38.484 8.976 6.398 1.00 0.00 N ATOM 532 CA LEU A 33 38.379 10.023 7.400 1.00 0.00 C ATOM 533 C LEU A 33 36.930 10.509 7.473 1.00 0.00 C ATOM 534 O LEU A 33 36.666 11.617 7.938 1.00 0.00 O ATOM 535 CB LEU A 33 39.388 11.138 7.118 1.00 0.00 C ATOM 536 CG LEU A 33 40.351 11.475 8.259 1.00 0.00 C ATOM 537 CD1 LEU A 33 41.778 11.042 7.918 1.00 0.00 C ATOM 538 CD2 LEU A 33 40.273 12.960 8.621 1.00 0.00 C ATOM 0 H LEU A 33 38.921 8.114 6.725 1.00 0.00 H new ATOM 0 HA LEU A 33 38.636 9.634 8.385 1.00 0.00 H new ATOM 0 HB2 LEU A 33 39.976 10.857 6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 33 38.838 12.041 6.855 1.00 0.00 H new ATOM 0 HG LEU A 33 40.046 10.912 9.141 1.00 0.00 H new ATOM 0 HD11 LEU A 33 42.442 11.293 8.745 1.00 0.00 H new ATOM 0 HD12 LEU A 33 41.801 9.966 7.748 1.00 0.00 H new ATOM 0 HD13 LEU A 33 42.110 11.559 7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 33 40.967 13.173 9.434 1.00 0.00 H new ATOM 0 HD22 LEU A 33 40.538 13.561 7.751 1.00 0.00 H new ATOM 0 HD23 LEU A 33 39.259 13.205 8.936 1.00 0.00 H new ATOM 550 N ARG A 34 36.029 9.656 7.007 1.00 0.00 N ATOM 551 CA ARG A 34 34.614 9.985 7.014 1.00 0.00 C ATOM 552 C ARG A 34 33.779 8.732 7.285 1.00 0.00 C ATOM 553 O ARG A 34 32.910 8.738 8.155 1.00 0.00 O ATOM 554 CB ARG A 34 34.184 10.596 5.678 1.00 0.00 C ATOM 555 CG ARG A 34 33.586 11.990 5.881 1.00 0.00 C ATOM 556 CD ARG A 34 33.373 12.695 4.540 1.00 0.00 C ATOM 557 NE ARG A 34 32.388 13.788 4.693 1.00 0.00 N ATOM 558 CZ ARG A 34 31.799 14.428 3.660 1.00 0.00 C ATOM 559 NH1 ARG A 34 32.093 14.088 2.387 1.00 0.00 N ATOM 560 NH2 ARG A 34 30.932 15.390 3.913 1.00 0.00 N ATOM 0 H ARG A 34 36.252 8.738 6.622 1.00 0.00 H new ATOM 0 HA ARG A 34 34.447 10.715 7.806 1.00 0.00 H new ATOM 0 HB2 ARG A 34 35.042 10.658 5.009 1.00 0.00 H new ATOM 0 HB3 ARG A 34 33.451 9.948 5.197 1.00 0.00 H new ATOM 0 HG2 ARG A 34 32.636 11.909 6.408 1.00 0.00 H new ATOM 0 HG3 ARG A 34 34.249 12.586 6.508 1.00 0.00 H new ATOM 0 HD2 ARG A 34 34.319 13.096 4.176 1.00 0.00 H new ATOM 0 HD3 ARG A 34 33.022 11.980 3.796 1.00 0.00 H new ATOM 0 HE ARG A 34 32.138 14.077 5.639 1.00 0.00 H new ATOM 0 HH11 ARG A 34 32.764 13.343 2.200 1.00 0.00 H new ATOM 0 HH12 ARG A 34 31.644 14.576 1.612 1.00 0.00 H new ATOM 0 HH21 ARG A 34 30.715 15.641 4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 34 30.479 15.883 3.144 1.00 0.00 H new ATOM 573 N GLU A 35 34.073 7.688 6.525 1.00 0.00 N ATOM 574 CA GLU A 35 33.361 6.430 6.672 1.00 0.00 C ATOM 575 C GLU A 35 31.934 6.563 6.137 1.00 0.00 C ATOM 576 O GLU A 35 30.981 6.131 6.784 1.00 0.00 O ATOM 577 CB GLU A 35 33.358 5.970 8.131 1.00 0.00 C ATOM 578 CG GLU A 35 33.987 4.581 8.269 1.00 0.00 C ATOM 579 CD GLU A 35 34.578 4.383 9.666 1.00 0.00 C ATOM 580 OE1 GLU A 35 35.048 5.351 10.283 1.00 0.00 O ATOM 581 OE2 GLU A 35 34.538 3.173 10.109 1.00 0.00 O ATOM 0 H GLU A 35 34.795 7.687 5.805 1.00 0.00 H new ATOM 0 HA GLU A 35 33.879 5.671 6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 35 33.908 6.685 8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 35 32.335 5.949 8.508 1.00 0.00 H new ATOM 0 HG2 GLU A 35 33.234 3.816 8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 35 34.768 4.455 7.519 1.00 0.00 H new ATOM 589 N THR A 36 31.831 7.162 4.960 1.00 0.00 N ATOM 590 CA THR A 36 30.536 7.356 4.330 1.00 0.00 C ATOM 591 C THR A 36 30.166 6.137 3.482 1.00 0.00 C ATOM 592 O THR A 36 29.430 6.257 2.504 1.00 0.00 O ATOM 593 CB THR A 36 30.591 8.659 3.529 1.00 0.00 C ATOM 594 OG1 THR A 36 31.398 9.522 4.325 1.00 0.00 O ATOM 595 CG2 THR A 36 29.236 9.367 3.469 1.00 0.00 C ATOM 0 H THR A 36 32.623 7.519 4.426 1.00 0.00 H new ATOM 0 HA THR A 36 29.744 7.447 5.074 1.00 0.00 H new ATOM 0 HB THR A 36 30.936 8.448 2.517 1.00 0.00 H new ATOM 0 HG1 THR A 36 31.487 10.390 3.879 1.00 0.00 H new ATOM 0 HG21 THR A 36 29.331 10.285 2.889 1.00 0.00 H new ATOM 0 HG22 THR A 36 28.504 8.713 2.995 1.00 0.00 H new ATOM 0 HG23 THR A 36 28.906 9.608 4.480 1.00 0.00 H new ATOM 603 N TRP A 37 30.694 4.992 3.889 1.00 0.00 N ATOM 604 CA TRP A 37 30.429 3.752 3.179 1.00 0.00 C ATOM 605 C TRP A 37 30.329 2.628 4.212 1.00 0.00 C ATOM 606 O TRP A 37 30.456 1.454 3.871 1.00 0.00 O ATOM 607 CB TRP A 37 31.496 3.491 2.114 1.00 0.00 C ATOM 608 CG TRP A 37 32.356 4.712 1.782 1.00 0.00 C ATOM 609 CD1 TRP A 37 33.496 5.103 2.369 1.00 0.00 C ATOM 610 CD2 TRP A 37 32.097 5.693 0.755 1.00 0.00 C ATOM 611 NE1 TRP A 37 33.989 6.258 1.798 1.00 0.00 N ATOM 612 CE2 TRP A 37 33.111 6.628 0.785 1.00 0.00 C ATOM 613 CE3 TRP A 37 31.041 5.786 -0.168 1.00 0.00 C ATOM 614 CZ2 TRP A 37 33.169 7.724 -0.084 1.00 0.00 C ATOM 615 CZ3 TRP A 37 31.114 6.887 -1.030 1.00 0.00 C ATOM 616 CH2 TRP A 37 32.127 7.838 -1.013 1.00 0.00 C ATOM 0 H TRP A 37 31.304 4.897 4.701 1.00 0.00 H new ATOM 0 HA TRP A 37 29.485 3.812 2.637 1.00 0.00 H new ATOM 0 HB2 TRP A 37 32.145 2.684 2.455 1.00 0.00 H new ATOM 0 HB3 TRP A 37 31.008 3.145 1.203 1.00 0.00 H new ATOM 0 HD1 TRP A 37 33.969 4.579 3.187 1.00 0.00 H new ATOM 0 HE1 TRP A 37 34.841 6.750 2.069 1.00 0.00 H new ATOM 0 HE3 TRP A 37 30.237 5.066 -0.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 33.974 8.443 -0.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 30.327 7.006 -1.760 1.00 0.00 H new ATOM 0 HH2 TRP A 37 32.111 8.661 -1.712 1.00 0.00 H new ATOM 627 N LEU A 38 30.101 3.029 5.455 1.00 0.00 N ATOM 628 CA LEU A 38 29.981 2.070 6.540 1.00 0.00 C ATOM 629 C LEU A 38 28.878 2.524 7.497 1.00 0.00 C ATOM 630 O LEU A 38 28.154 1.699 8.052 1.00 0.00 O ATOM 631 CB LEU A 38 31.336 1.858 7.219 1.00 0.00 C ATOM 632 CG LEU A 38 32.564 1.965 6.313 1.00 0.00 C ATOM 633 CD1 LEU A 38 32.726 3.388 5.775 1.00 0.00 C ATOM 634 CD2 LEU A 38 33.822 1.479 7.035 1.00 0.00 C ATOM 0 H LEU A 38 29.996 4.004 5.734 1.00 0.00 H new ATOM 0 HA LEU A 38 29.687 1.094 6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.436 2.589 8.021 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.337 0.872 7.684 1.00 0.00 H new ATOM 0 HG LEU A 38 32.413 1.311 5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.606 3.437 5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 38 31.842 3.662 5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.845 4.081 6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 38 34.680 1.566 6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 38 33.990 2.088 7.924 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.694 0.437 7.328 1.00 0.00 H new ATOM 646 N ILE A 39 28.785 3.836 7.662 1.00 0.00 N ATOM 647 CA ILE A 39 27.782 4.410 8.543 1.00 0.00 C ATOM 648 C ILE A 39 26.578 4.861 7.713 1.00 0.00 C ATOM 649 O ILE A 39 25.438 4.763 8.162 1.00 0.00 O ATOM 650 CB ILE A 39 28.392 5.523 9.396 1.00 0.00 C ATOM 651 CG1 ILE A 39 29.041 6.595 8.517 1.00 0.00 C ATOM 652 CG2 ILE A 39 29.374 4.952 10.422 1.00 0.00 C ATOM 653 CD1 ILE A 39 28.416 7.967 8.775 1.00 0.00 C ATOM 0 H ILE A 39 29.388 4.517 7.201 1.00 0.00 H new ATOM 0 HA ILE A 39 27.421 3.661 9.248 1.00 0.00 H new ATOM 0 HB ILE A 39 27.589 6.006 9.953 1.00 0.00 H new ATOM 0 HG12 ILE A 39 30.112 6.636 8.717 1.00 0.00 H new ATOM 0 HG13 ILE A 39 28.923 6.329 7.466 1.00 0.00 H new ATOM 0 HG21 ILE A 39 29.793 5.764 11.015 1.00 0.00 H new ATOM 0 HG22 ILE A 39 28.851 4.256 11.078 1.00 0.00 H new ATOM 0 HG23 ILE A 39 30.178 4.428 9.904 1.00 0.00 H new ATOM 0 HD11 ILE A 39 28.895 8.711 8.138 1.00 0.00 H new ATOM 0 HD12 ILE A 39 27.350 7.929 8.550 1.00 0.00 H new ATOM 0 HD13 ILE A 39 28.557 8.240 9.821 1.00 0.00 H new ATOM 665 N TYR A 40 26.874 5.347 6.516 1.00 0.00 N ATOM 666 CA TYR A 40 25.831 5.814 5.619 1.00 0.00 C ATOM 667 C TYR A 40 24.943 6.854 6.305 1.00 0.00 C ATOM 668 O TYR A 40 25.200 7.240 7.444 1.00 0.00 O ATOM 669 CB TYR A 40 24.985 4.584 5.279 1.00 0.00 C ATOM 670 CG TYR A 40 25.586 3.699 4.185 1.00 0.00 C ATOM 671 CD1 TYR A 40 25.949 4.251 2.973 1.00 0.00 C ATOM 672 CD2 TYR A 40 25.764 2.349 4.410 1.00 0.00 C ATOM 673 CE1 TYR A 40 26.514 3.418 1.943 1.00 0.00 C ATOM 674 CE2 TYR A 40 26.329 1.517 3.380 1.00 0.00 C ATOM 675 CZ TYR A 40 26.676 2.092 2.197 1.00 0.00 C ATOM 676 OH TYR A 40 27.210 1.306 1.224 1.00 0.00 O ATOM 0 H TYR A 40 27.821 5.427 6.147 1.00 0.00 H new ATOM 0 HA TYR A 40 26.266 6.280 4.735 1.00 0.00 H new ATOM 0 HB2 TYR A 40 24.850 3.988 6.181 1.00 0.00 H new ATOM 0 HB3 TYR A 40 23.995 4.913 4.963 1.00 0.00 H new ATOM 0 HD1 TYR A 40 25.809 5.307 2.797 1.00 0.00 H new ATOM 0 HD2 TYR A 40 25.480 1.917 5.358 1.00 0.00 H new ATOM 0 HE1 TYR A 40 26.803 3.837 0.990 1.00 0.00 H new ATOM 0 HE2 TYR A 40 26.474 0.459 3.543 1.00 0.00 H new ATOM 0 HH TYR A 40 27.268 0.382 1.545 1.00 0.00 H new ATOM 686 N LYS A 41 23.917 7.279 5.582 1.00 0.00 N ATOM 687 CA LYS A 41 22.990 8.267 6.106 1.00 0.00 C ATOM 688 C LYS A 41 21.557 7.765 5.922 1.00 0.00 C ATOM 689 O LYS A 41 21.051 7.719 4.801 1.00 0.00 O ATOM 690 CB LYS A 41 23.249 9.635 5.471 1.00 0.00 C ATOM 691 CG LYS A 41 24.607 10.192 5.903 1.00 0.00 C ATOM 692 CD LYS A 41 25.518 10.414 4.694 1.00 0.00 C ATOM 693 CE LYS A 41 25.051 11.615 3.869 1.00 0.00 C ATOM 694 NZ LYS A 41 26.140 12.093 2.987 1.00 0.00 N ATOM 0 H LYS A 41 23.708 6.957 4.637 1.00 0.00 H new ATOM 0 HA LYS A 41 23.145 8.404 7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 41 23.217 9.548 4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 41 22.459 10.329 5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 41 24.466 11.133 6.434 1.00 0.00 H new ATOM 0 HG3 LYS A 41 25.083 9.501 6.599 1.00 0.00 H new ATOM 0 HD2 LYS A 41 26.542 10.576 5.031 1.00 0.00 H new ATOM 0 HD3 LYS A 41 25.525 9.520 4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 41 24.185 11.337 3.269 1.00 0.00 H new ATOM 0 HE3 LYS A 41 24.734 12.419 4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 25.806 12.908 2.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 26.956 12.378 3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 26.424 11.329 2.341 1.00 0.00 H new ATOM 707 N ASN A 42 20.943 7.401 7.038 1.00 0.00 N ATOM 708 CA ASN A 42 19.578 6.903 7.013 1.00 0.00 C ATOM 709 C ASN A 42 19.059 6.778 8.447 1.00 0.00 C ATOM 710 O ASN A 42 19.227 5.739 9.083 1.00 0.00 O ATOM 711 CB ASN A 42 19.508 5.520 6.362 1.00 0.00 C ATOM 712 CG ASN A 42 18.203 5.347 5.582 1.00 0.00 C ATOM 713 OD1 ASN A 42 18.021 5.879 4.500 1.00 0.00 O ATOM 714 ND2 ASN A 42 17.307 4.575 6.191 1.00 0.00 N ATOM 0 H ASN A 42 21.366 7.441 7.966 1.00 0.00 H new ATOM 0 HA ASN A 42 18.974 7.604 6.437 1.00 0.00 H new ATOM 0 HB2 ASN A 42 20.357 5.386 5.692 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.583 4.749 7.129 1.00 0.00 H new ATOM 0 HD21 ASN A 42 16.404 4.398 5.752 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.523 4.160 7.097 1.00 0.00 H new ATOM 721 N THR A 43 18.440 7.852 8.914 1.00 0.00 N ATOM 722 CA THR A 43 17.895 7.876 10.261 1.00 0.00 C ATOM 723 C THR A 43 18.848 7.177 11.233 1.00 0.00 C ATOM 724 O THR A 43 18.407 6.527 12.180 1.00 0.00 O ATOM 725 CB THR A 43 16.501 7.246 10.218 1.00 0.00 C ATOM 726 OG1 THR A 43 16.052 7.307 11.569 1.00 0.00 O ATOM 727 CG2 THR A 43 16.544 5.749 9.907 1.00 0.00 C ATOM 0 H THR A 43 18.304 8.712 8.384 1.00 0.00 H new ATOM 0 HA THR A 43 17.795 8.897 10.630 1.00 0.00 H new ATOM 0 HB THR A 43 15.895 7.755 9.468 1.00 0.00 H new ATOM 0 HG1 THR A 43 16.635 6.756 12.133 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.529 5.352 9.888 1.00 0.00 H new ATOM 0 HG22 THR A 43 17.013 5.593 8.935 1.00 0.00 H new ATOM 0 HG23 THR A 43 17.121 5.234 10.675 1.00 0.00 H new ATOM 735 N LYS A 44 20.136 7.335 10.966 1.00 0.00 N ATOM 736 CA LYS A 44 21.154 6.728 11.805 1.00 0.00 C ATOM 737 C LYS A 44 21.015 7.259 13.234 1.00 0.00 C ATOM 738 O LYS A 44 21.252 8.439 13.487 1.00 0.00 O ATOM 739 CB LYS A 44 22.544 6.943 11.202 1.00 0.00 C ATOM 740 CG LYS A 44 23.167 8.245 11.710 1.00 0.00 C ATOM 741 CD LYS A 44 24.488 8.536 10.996 1.00 0.00 C ATOM 742 CE LYS A 44 24.266 9.427 9.773 1.00 0.00 C ATOM 743 NZ LYS A 44 25.357 10.419 9.649 1.00 0.00 N ATOM 0 H LYS A 44 20.498 7.875 10.180 1.00 0.00 H new ATOM 0 HA LYS A 44 21.015 5.648 11.851 1.00 0.00 H new ATOM 0 HB2 LYS A 44 23.189 6.103 11.458 1.00 0.00 H new ATOM 0 HB3 LYS A 44 22.472 6.970 10.115 1.00 0.00 H new ATOM 0 HG2 LYS A 44 22.474 9.071 11.550 1.00 0.00 H new ATOM 0 HG3 LYS A 44 23.338 8.176 12.784 1.00 0.00 H new ATOM 0 HD2 LYS A 44 25.178 9.023 11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 44 24.953 7.599 10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 44 24.220 8.814 8.873 1.00 0.00 H new ATOM 0 HE3 LYS A 44 23.308 9.940 9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 25.190 11.016 8.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 25.383 11.015 10.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 26.266 9.924 9.545 1.00 0.00 H new ATOM 756 N LEU A 45 20.631 6.362 14.129 1.00 0.00 N ATOM 757 CA LEU A 45 20.457 6.725 15.525 1.00 0.00 C ATOM 758 C LEU A 45 19.687 8.044 15.613 1.00 0.00 C ATOM 759 O LEU A 45 20.117 8.973 16.295 1.00 0.00 O ATOM 760 CB LEU A 45 21.807 6.752 16.244 1.00 0.00 C ATOM 761 CG LEU A 45 22.556 5.420 16.315 1.00 0.00 C ATOM 762 CD1 LEU A 45 23.953 5.542 15.702 1.00 0.00 C ATOM 763 CD2 LEU A 45 22.605 4.893 17.750 1.00 0.00 C ATOM 0 H LEU A 45 20.435 5.384 13.915 1.00 0.00 H new ATOM 0 HA LEU A 45 19.861 5.973 16.042 1.00 0.00 H new ATOM 0 HB2 LEU A 45 22.447 7.480 15.746 1.00 0.00 H new ATOM 0 HB3 LEU A 45 21.648 7.111 17.261 1.00 0.00 H new ATOM 0 HG LEU A 45 22.007 4.689 15.722 1.00 0.00 H new ATOM 0 HD11 LEU A 45 24.463 4.581 15.766 1.00 0.00 H new ATOM 0 HD12 LEU A 45 23.867 5.839 14.657 1.00 0.00 H new ATOM 0 HD13 LEU A 45 24.525 6.293 16.247 1.00 0.00 H new ATOM 0 HD21 LEU A 45 23.143 3.945 17.771 1.00 0.00 H new ATOM 0 HD22 LEU A 45 23.117 5.615 18.386 1.00 0.00 H new ATOM 0 HD23 LEU A 45 21.590 4.742 18.117 1.00 0.00 H new ATOM 775 N VAL A 46 18.564 8.085 14.912 1.00 0.00 N ATOM 776 CA VAL A 46 17.731 9.275 14.901 1.00 0.00 C ATOM 777 C VAL A 46 18.622 10.516 14.828 1.00 0.00 C ATOM 778 O VAL A 46 18.285 11.561 15.382 1.00 0.00 O ATOM 779 CB VAL A 46 16.804 9.276 16.119 1.00 0.00 C ATOM 780 CG1 VAL A 46 17.601 9.104 17.414 1.00 0.00 C ATOM 781 CG2 VAL A 46 15.956 10.549 16.162 1.00 0.00 C ATOM 0 H VAL A 46 18.211 7.313 14.347 1.00 0.00 H new ATOM 0 HA VAL A 46 17.089 9.283 14.020 1.00 0.00 H new ATOM 0 HB VAL A 46 16.128 8.426 16.026 1.00 0.00 H new ATOM 0 HG11 VAL A 46 16.919 9.108 18.264 1.00 0.00 H new ATOM 0 HG12 VAL A 46 18.141 8.157 17.386 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.312 9.924 17.515 1.00 0.00 H new ATOM 0 HG21 VAL A 46 15.306 10.524 17.037 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.609 11.420 16.220 1.00 0.00 H new ATOM 0 HG23 VAL A 46 15.347 10.611 15.260 1.00 0.00 H new ATOM 791 N LYS A 47 19.744 10.360 14.139 1.00 0.00 N ATOM 792 CA LYS A 47 20.686 11.455 13.986 1.00 0.00 C ATOM 793 C LYS A 47 21.336 11.756 15.338 1.00 0.00 C ATOM 794 O LYS A 47 20.887 11.260 16.370 1.00 0.00 O ATOM 795 CB LYS A 47 20.002 12.666 13.349 1.00 0.00 C ATOM 796 CG LYS A 47 20.845 13.234 12.206 1.00 0.00 C ATOM 797 CD LYS A 47 20.913 12.252 11.034 1.00 0.00 C ATOM 798 CE LYS A 47 21.497 12.923 9.790 1.00 0.00 C ATOM 799 NZ LYS A 47 22.940 12.618 9.665 1.00 0.00 N ATOM 0 H LYS A 47 20.021 9.492 13.681 1.00 0.00 H new ATOM 0 HA LYS A 47 21.487 11.175 13.302 1.00 0.00 H new ATOM 0 HB2 LYS A 47 19.020 12.378 12.973 1.00 0.00 H new ATOM 0 HB3 LYS A 47 19.841 13.436 14.104 1.00 0.00 H new ATOM 0 HG2 LYS A 47 20.418 14.179 11.869 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.852 13.449 12.564 1.00 0.00 H new ATOM 0 HD2 LYS A 47 21.525 11.393 11.310 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.915 11.874 10.813 1.00 0.00 H new ATOM 0 HE2 LYS A 47 20.968 12.578 8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 47 21.351 14.002 9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 23.455 13.481 9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 23.301 12.268 10.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 23.079 11.891 8.934 1.00 0.00 H new ATOM 812 N LYS A 48 22.382 12.567 15.289 1.00 0.00 N ATOM 813 CA LYS A 48 23.098 12.940 16.497 1.00 0.00 C ATOM 814 C LYS A 48 22.104 13.482 17.526 1.00 0.00 C ATOM 815 O LYS A 48 21.081 14.059 17.163 1.00 0.00 O ATOM 816 CB LYS A 48 24.234 13.910 16.169 1.00 0.00 C ATOM 817 CG LYS A 48 25.081 13.390 15.006 1.00 0.00 C ATOM 818 CD LYS A 48 26.396 14.165 14.895 1.00 0.00 C ATOM 819 CE LYS A 48 27.448 13.599 15.851 1.00 0.00 C ATOM 820 NZ LYS A 48 28.006 14.674 16.702 1.00 0.00 N ATOM 0 H LYS A 48 22.751 12.977 14.431 1.00 0.00 H new ATOM 0 HA LYS A 48 23.575 12.067 16.942 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.821 14.886 15.915 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.863 14.049 17.048 1.00 0.00 H new ATOM 0 HG2 LYS A 48 25.291 12.330 15.150 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.522 13.481 14.075 1.00 0.00 H new ATOM 0 HD2 LYS A 48 26.766 14.116 13.871 1.00 0.00 H new ATOM 0 HD3 LYS A 48 26.222 15.217 15.121 1.00 0.00 H new ATOM 0 HE2 LYS A 48 27.001 12.826 16.477 1.00 0.00 H new ATOM 0 HE3 LYS A 48 28.248 13.125 15.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 28.718 14.273 17.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 28.450 15.397 16.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 27.242 15.108 17.259 1.00 0.00 H new ATOM 833 N ILE A 49 22.441 13.276 18.791 1.00 0.00 N ATOM 834 CA ILE A 49 21.591 13.737 19.876 1.00 0.00 C ATOM 835 C ILE A 49 21.363 15.243 19.735 1.00 0.00 C ATOM 836 O ILE A 49 21.977 15.891 18.889 1.00 0.00 O ATOM 837 CB ILE A 49 22.178 13.328 21.228 1.00 0.00 C ATOM 838 CG1 ILE A 49 23.509 14.037 21.485 1.00 0.00 C ATOM 839 CG2 ILE A 49 22.310 11.807 21.331 1.00 0.00 C ATOM 840 CD1 ILE A 49 23.495 14.758 22.835 1.00 0.00 C ATOM 0 H ILE A 49 23.291 12.796 19.089 1.00 0.00 H new ATOM 0 HA ILE A 49 20.613 13.260 19.822 1.00 0.00 H new ATOM 0 HB ILE A 49 21.488 13.645 22.010 1.00 0.00 H new ATOM 0 HG12 ILE A 49 24.322 13.311 21.465 1.00 0.00 H new ATOM 0 HG13 ILE A 49 23.703 14.754 20.688 1.00 0.00 H new ATOM 0 HG21 ILE A 49 22.730 11.543 22.302 1.00 0.00 H new ATOM 0 HG22 ILE A 49 21.327 11.348 21.224 1.00 0.00 H new ATOM 0 HG23 ILE A 49 22.967 11.445 20.541 1.00 0.00 H new ATOM 0 HD11 ILE A 49 24.453 15.254 22.993 1.00 0.00 H new ATOM 0 HD12 ILE A 49 22.697 15.500 22.843 1.00 0.00 H new ATOM 0 HD13 ILE A 49 23.325 14.034 23.632 1.00 0.00 H new ATOM 852 N ASP A 50 20.480 15.758 20.578 1.00 0.00 N ATOM 853 CA ASP A 50 20.163 17.175 20.558 1.00 0.00 C ATOM 854 C ASP A 50 20.882 17.870 21.717 1.00 0.00 C ATOM 855 O ASP A 50 20.296 18.081 22.778 1.00 0.00 O ATOM 856 CB ASP A 50 18.660 17.407 20.727 1.00 0.00 C ATOM 857 CG ASP A 50 18.011 16.630 21.873 1.00 0.00 C ATOM 858 OD1 ASP A 50 18.282 15.436 22.070 1.00 0.00 O ATOM 859 OD2 ASP A 50 17.182 17.308 22.592 1.00 0.00 O ATOM 0 H ASP A 50 19.974 15.218 21.280 1.00 0.00 H new ATOM 0 HA ASP A 50 20.484 17.578 19.598 1.00 0.00 H new ATOM 0 HB2 ASP A 50 18.488 18.471 20.886 1.00 0.00 H new ATOM 0 HB3 ASP A 50 18.159 17.139 19.797 1.00 0.00 H new ATOM 865 N HIS A 51 22.140 18.207 21.475 1.00 0.00 N ATOM 866 CA HIS A 51 22.944 18.873 22.485 1.00 0.00 C ATOM 867 C HIS A 51 22.184 20.084 23.029 1.00 0.00 C ATOM 868 O HIS A 51 22.159 20.314 24.237 1.00 0.00 O ATOM 869 CB HIS A 51 24.322 19.238 21.928 1.00 0.00 C ATOM 870 CG HIS A 51 24.284 20.258 20.815 1.00 0.00 C ATOM 871 ND1 HIS A 51 24.848 21.517 20.932 1.00 0.00 N ATOM 872 CD2 HIS A 51 23.745 20.192 19.564 1.00 0.00 C ATOM 873 CE1 HIS A 51 24.650 22.170 19.796 1.00 0.00 C ATOM 874 NE2 HIS A 51 23.966 21.348 18.950 1.00 0.00 N ATOM 0 H HIS A 51 22.622 18.031 20.594 1.00 0.00 H new ATOM 0 HA HIS A 51 23.122 18.195 23.320 1.00 0.00 H new ATOM 0 HB2 HIS A 51 24.940 19.623 22.739 1.00 0.00 H new ATOM 0 HB3 HIS A 51 24.806 18.333 21.561 1.00 0.00 H new ATOM 0 HD2 HIS A 51 23.226 19.343 19.144 1.00 0.00 H new ATOM 0 HE1 HIS A 51 24.974 23.177 19.578 1.00 0.00 H new ATOM 0 HE2 HIS A 51 23.673 21.583 18.002 1.00 0.00 H new ATOM 882 N ALA A 52 21.583 20.827 22.111 1.00 0.00 N ATOM 883 CA ALA A 52 20.825 22.009 22.484 1.00 0.00 C ATOM 884 C ALA A 52 20.187 22.616 21.233 1.00 0.00 C ATOM 885 O ALA A 52 20.881 23.184 20.391 1.00 0.00 O ATOM 886 CB ALA A 52 21.741 22.996 23.209 1.00 0.00 C ATOM 0 H ALA A 52 21.606 20.633 21.110 1.00 0.00 H new ATOM 0 HA ALA A 52 20.020 21.748 23.171 1.00 0.00 H new ATOM 0 HB1 ALA A 52 21.172 23.883 23.489 1.00 0.00 H new ATOM 0 HB2 ALA A 52 22.145 22.526 24.106 1.00 0.00 H new ATOM 0 HB3 ALA A 52 22.560 23.284 22.550 1.00 0.00 H new ATOM 892 N LYS A 53 18.872 22.475 21.149 1.00 0.00 N ATOM 893 CA LYS A 53 18.133 23.002 20.015 1.00 0.00 C ATOM 894 C LYS A 53 18.842 22.603 18.720 1.00 0.00 C ATOM 895 O LYS A 53 19.671 23.352 18.205 1.00 0.00 O ATOM 896 CB LYS A 53 17.928 24.511 20.164 1.00 0.00 C ATOM 897 CG LYS A 53 16.470 24.895 19.900 1.00 0.00 C ATOM 898 CD LYS A 53 15.732 25.175 21.210 1.00 0.00 C ATOM 899 CE LYS A 53 14.221 25.252 20.982 1.00 0.00 C ATOM 900 NZ LYS A 53 13.491 24.853 22.206 1.00 0.00 N ATOM 0 H LYS A 53 18.299 22.003 21.849 1.00 0.00 H new ATOM 0 HA LYS A 53 17.133 22.570 19.978 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.214 24.823 21.169 1.00 0.00 H new ATOM 0 HB3 LYS A 53 18.579 25.041 19.468 1.00 0.00 H new ATOM 0 HG2 LYS A 53 16.432 25.777 19.261 1.00 0.00 H new ATOM 0 HG3 LYS A 53 15.970 24.090 19.361 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.955 24.390 21.932 1.00 0.00 H new ATOM 0 HD3 LYS A 53 16.087 26.112 21.639 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.941 26.267 20.699 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.939 24.601 20.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.467 24.911 22.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.745 23.877 22.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.747 25.491 22.987 1.00 0.00 H new ATOM 913 N VAL A 54 18.491 21.423 18.230 1.00 0.00 N ATOM 914 CA VAL A 54 19.084 20.915 17.004 1.00 0.00 C ATOM 915 C VAL A 54 18.002 20.800 15.929 1.00 0.00 C ATOM 916 O VAL A 54 18.138 20.022 14.986 1.00 0.00 O ATOM 917 CB VAL A 54 19.797 19.589 17.278 1.00 0.00 C ATOM 918 CG1 VAL A 54 18.818 18.415 17.209 1.00 0.00 C ATOM 919 CG2 VAL A 54 20.967 19.386 16.313 1.00 0.00 C ATOM 0 H VAL A 54 17.803 20.804 18.660 1.00 0.00 H new ATOM 0 HA VAL A 54 19.841 21.605 16.631 1.00 0.00 H new ATOM 0 HB VAL A 54 20.201 19.629 18.290 1.00 0.00 H new ATOM 0 HG11 VAL A 54 19.351 17.485 17.407 1.00 0.00 H new ATOM 0 HG12 VAL A 54 18.034 18.550 17.954 1.00 0.00 H new ATOM 0 HG13 VAL A 54 18.371 18.372 16.216 1.00 0.00 H new ATOM 0 HG21 VAL A 54 21.456 18.436 16.529 1.00 0.00 H new ATOM 0 HG22 VAL A 54 20.596 19.378 15.288 1.00 0.00 H new ATOM 0 HG23 VAL A 54 21.683 20.199 16.433 1.00 0.00 H new ATOM 929 N ARG A 55 16.951 21.588 16.106 1.00 0.00 N ATOM 930 CA ARG A 55 15.846 21.584 15.162 1.00 0.00 C ATOM 931 C ARG A 55 15.043 22.881 15.281 1.00 0.00 C ATOM 932 O ARG A 55 14.070 22.946 16.032 1.00 0.00 O ATOM 933 CB ARG A 55 14.918 20.393 15.405 1.00 0.00 C ATOM 934 CG ARG A 55 15.270 19.226 14.481 1.00 0.00 C ATOM 935 CD ARG A 55 15.867 18.060 15.273 1.00 0.00 C ATOM 936 NE ARG A 55 15.278 16.782 14.814 1.00 0.00 N ATOM 937 CZ ARG A 55 15.549 16.209 13.622 1.00 0.00 C ATOM 938 NH1 ARG A 55 16.403 16.797 12.758 1.00 0.00 N ATOM 939 NH2 ARG A 55 14.966 15.066 13.315 1.00 0.00 N ATOM 0 H ARG A 55 16.841 22.233 16.889 1.00 0.00 H new ATOM 0 HA ARG A 55 16.266 21.503 14.159 1.00 0.00 H new ATOM 0 HB2 ARG A 55 14.994 20.074 16.445 1.00 0.00 H new ATOM 0 HB3 ARG A 55 13.884 20.694 15.239 1.00 0.00 H new ATOM 0 HG2 ARG A 55 14.376 18.892 13.954 1.00 0.00 H new ATOM 0 HG3 ARG A 55 15.981 19.558 13.724 1.00 0.00 H new ATOM 0 HD2 ARG A 55 16.949 18.038 15.144 1.00 0.00 H new ATOM 0 HD3 ARG A 55 15.676 18.197 16.337 1.00 0.00 H new ATOM 0 HE ARG A 55 14.627 16.304 15.437 1.00 0.00 H new ATOM 0 HH11 ARG A 55 16.849 17.681 13.004 1.00 0.00 H new ATOM 0 HH12 ARG A 55 16.602 16.358 11.859 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.322 14.629 13.974 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.159 14.619 12.419 1.00 0.00 H new ATOM 952 N LYS A 56 15.479 23.881 14.530 1.00 0.00 N ATOM 953 CA LYS A 56 14.813 25.172 14.542 1.00 0.00 C ATOM 954 C LYS A 56 13.571 25.109 13.650 1.00 0.00 C ATOM 955 O LYS A 56 13.428 25.904 12.723 1.00 0.00 O ATOM 956 CB LYS A 56 15.791 26.284 14.157 1.00 0.00 C ATOM 957 CG LYS A 56 16.296 26.097 12.725 1.00 0.00 C ATOM 958 CD LYS A 56 16.387 27.439 11.996 1.00 0.00 C ATOM 959 CE LYS A 56 16.915 27.255 10.571 1.00 0.00 C ATOM 960 NZ LYS A 56 15.918 27.726 9.584 1.00 0.00 N ATOM 0 H LYS A 56 16.286 23.823 13.909 1.00 0.00 H new ATOM 0 HA LYS A 56 14.471 25.415 15.548 1.00 0.00 H new ATOM 0 HB2 LYS A 56 15.301 27.253 14.250 1.00 0.00 H new ATOM 0 HB3 LYS A 56 16.635 26.286 14.847 1.00 0.00 H new ATOM 0 HG2 LYS A 56 17.276 25.620 12.741 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.626 25.430 12.183 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.403 27.908 11.965 1.00 0.00 H new ATOM 0 HD3 LYS A 56 17.044 28.112 12.547 1.00 0.00 H new ATOM 0 HE2 LYS A 56 17.846 27.808 10.448 1.00 0.00 H new ATOM 0 HE3 LYS A 56 17.142 26.204 10.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.292 27.594 8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.039 27.181 9.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.721 28.735 9.743 1.00 0.00 H new ATOM 973 N HIS A 57 12.706 24.156 13.963 1.00 0.00 N ATOM 974 CA HIS A 57 11.481 23.978 13.201 1.00 0.00 C ATOM 975 C HIS A 57 10.275 24.077 14.137 1.00 0.00 C ATOM 976 O HIS A 57 10.110 25.074 14.839 1.00 0.00 O ATOM 977 CB HIS A 57 11.515 22.665 12.416 1.00 0.00 C ATOM 978 CG HIS A 57 12.726 22.512 11.527 1.00 0.00 C ATOM 979 ND1 HIS A 57 13.477 21.351 11.476 1.00 0.00 N ATOM 980 CD2 HIS A 57 13.309 23.386 10.656 1.00 0.00 C ATOM 981 CE1 HIS A 57 14.464 21.528 10.611 1.00 0.00 C ATOM 982 NE2 HIS A 57 14.359 22.790 10.104 1.00 0.00 N ATOM 0 H HIS A 57 12.829 23.499 14.733 1.00 0.00 H new ATOM 0 HA HIS A 57 11.390 24.774 12.462 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.486 21.832 13.119 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.616 22.597 11.803 1.00 0.00 H new ATOM 0 HD2 HIS A 57 12.973 24.392 10.451 1.00 0.00 H new ATOM 0 HE1 HIS A 57 15.219 20.801 10.352 1.00 0.00 H new ATOM 0 HE2 HIS A 57 14.984 23.207 9.414 1.00 0.00 H new ATOM 990 N GLN A 58 9.463 23.031 14.118 1.00 0.00 N ATOM 991 CA GLN A 58 8.277 22.988 14.956 1.00 0.00 C ATOM 992 C GLN A 58 8.671 22.798 16.423 1.00 0.00 C ATOM 993 O GLN A 58 8.537 21.704 16.969 1.00 0.00 O ATOM 994 CB GLN A 58 7.322 21.884 14.498 1.00 0.00 C ATOM 995 CG GLN A 58 6.545 22.314 13.253 1.00 0.00 C ATOM 996 CD GLN A 58 5.037 22.169 13.470 1.00 0.00 C ATOM 997 OE1 GLN A 58 4.571 21.780 14.528 1.00 0.00 O ATOM 998 NE2 GLN A 58 4.303 22.503 12.412 1.00 0.00 N ATOM 0 H GLN A 58 9.603 22.206 13.535 1.00 0.00 H new ATOM 0 HA GLN A 58 7.753 23.939 14.860 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.886 20.976 14.284 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.625 21.644 15.301 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.783 23.350 13.011 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.853 21.709 12.401 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.757 22.821 11.556 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.286 22.441 12.457 1.00 0.00 H new ATOM 1007 N ARG A 59 9.149 23.881 17.019 1.00 0.00 N ATOM 1008 CA ARG A 59 9.562 23.848 18.411 1.00 0.00 C ATOM 1009 C ARG A 59 10.174 25.191 18.815 1.00 0.00 C ATOM 1010 O ARG A 59 11.340 25.457 18.527 1.00 0.00 O ATOM 1011 CB ARG A 59 10.584 22.735 18.656 1.00 0.00 C ATOM 1012 CG ARG A 59 9.985 21.620 19.516 1.00 0.00 C ATOM 1013 CD ARG A 59 10.874 20.375 19.496 1.00 0.00 C ATOM 1014 NE ARG A 59 10.684 19.637 18.228 1.00 0.00 N ATOM 1015 CZ ARG A 59 10.964 18.326 18.066 1.00 0.00 C ATOM 1016 NH1 ARG A 59 11.451 17.598 19.093 1.00 0.00 N ATOM 1017 NH2 ARG A 59 10.755 17.768 16.888 1.00 0.00 N ATOM 0 H ARG A 59 9.259 24.787 16.563 1.00 0.00 H new ATOM 0 HA ARG A 59 8.676 23.652 19.015 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.916 22.325 17.702 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.464 23.147 19.150 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.867 21.970 20.541 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.990 21.367 19.149 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.920 20.663 19.605 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.631 19.731 20.341 1.00 0.00 H new ATOM 0 HE ARG A 59 10.319 20.151 17.426 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.610 18.038 20.000 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.660 16.608 18.963 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.387 18.326 16.117 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.961 16.779 16.748 1.00 0.00 H new ATOM 1030 N LYS A 60 9.360 26.000 19.476 1.00 0.00 N ATOM 1031 CA LYS A 60 9.807 27.309 19.922 1.00 0.00 C ATOM 1032 C LYS A 60 9.028 27.708 21.178 1.00 0.00 C ATOM 1033 O LYS A 60 8.142 26.979 21.621 1.00 0.00 O ATOM 1034 CB LYS A 60 9.704 28.327 18.785 1.00 0.00 C ATOM 1035 CG LYS A 60 8.251 28.747 18.555 1.00 0.00 C ATOM 1036 CD LYS A 60 7.466 27.642 17.845 1.00 0.00 C ATOM 1037 CE LYS A 60 6.791 28.174 16.580 1.00 0.00 C ATOM 1038 NZ LYS A 60 5.340 28.360 16.806 1.00 0.00 N ATOM 0 H LYS A 60 8.394 25.775 19.714 1.00 0.00 H new ATOM 0 HA LYS A 60 10.862 27.279 20.196 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.307 29.204 19.022 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.111 27.898 17.870 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.779 28.976 19.511 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.222 29.659 17.959 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.137 26.823 17.586 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.713 27.235 18.520 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.244 29.122 16.290 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.951 27.479 15.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.897 28.722 15.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.909 27.449 17.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.193 29.041 17.579 1.00 0.00 H new ATOM 1051 N PHE A 61 9.387 28.865 21.715 1.00 0.00 N ATOM 1052 CA PHE A 61 8.733 29.369 22.910 1.00 0.00 C ATOM 1053 C PHE A 61 7.258 29.671 22.642 1.00 0.00 C ATOM 1054 O PHE A 61 6.934 30.603 21.908 1.00 0.00 O ATOM 1055 CB PHE A 61 9.445 30.668 23.295 1.00 0.00 C ATOM 1056 CG PHE A 61 9.472 31.716 22.181 1.00 0.00 C ATOM 1057 CD1 PHE A 61 10.499 31.734 21.289 1.00 0.00 C ATOM 1058 CD2 PHE A 61 8.471 32.631 22.083 1.00 0.00 C ATOM 1059 CE1 PHE A 61 10.524 32.707 20.255 1.00 0.00 C ATOM 1060 CE2 PHE A 61 8.496 33.604 21.049 1.00 0.00 C ATOM 1061 CZ PHE A 61 9.522 33.621 20.157 1.00 0.00 C ATOM 0 H PHE A 61 10.122 29.467 21.344 1.00 0.00 H new ATOM 0 HA PHE A 61 8.785 28.625 23.705 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.953 31.095 24.169 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.469 30.436 23.587 1.00 0.00 H new ATOM 0 HD1 PHE A 61 11.295 31.008 21.367 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.656 32.618 22.792 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.339 32.721 19.546 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.700 34.330 20.971 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.541 34.361 19.370 1.00 0.00 H new ATOM 1071 N LEU A 62 6.401 28.864 23.253 1.00 0.00 N ATOM 1072 CA LEU A 62 4.968 29.033 23.089 1.00 0.00 C ATOM 1073 C LEU A 62 4.617 30.518 23.201 1.00 0.00 C ATOM 1074 O LEU A 62 3.695 30.994 22.540 1.00 0.00 O ATOM 1075 CB LEU A 62 4.207 28.146 24.077 1.00 0.00 C ATOM 1076 CG LEU A 62 4.730 28.143 25.515 1.00 0.00 C ATOM 1077 CD1 LEU A 62 3.625 28.528 26.500 1.00 0.00 C ATOM 1078 CD2 LEU A 62 5.365 26.796 25.864 1.00 0.00 C ATOM 0 H LEU A 62 6.673 28.092 23.862 1.00 0.00 H new ATOM 0 HA LEU A 62 4.658 28.705 22.097 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.164 28.463 24.091 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.224 27.122 23.703 1.00 0.00 H new ATOM 0 HG LEU A 62 5.512 28.898 25.596 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.023 28.518 27.515 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.258 29.527 26.263 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.805 27.814 26.425 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.729 26.820 26.891 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.621 26.006 25.761 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.198 26.601 25.189 1.00 0.00 H new ATOM 1090 N GLN A 63 5.372 31.210 24.042 1.00 0.00 N ATOM 1091 CA GLN A 63 5.153 32.631 24.248 1.00 0.00 C ATOM 1092 C GLN A 63 4.859 33.323 22.915 1.00 0.00 C ATOM 1093 O GLN A 63 5.765 33.538 22.111 1.00 0.00 O ATOM 1094 CB GLN A 63 6.351 33.275 24.948 1.00 0.00 C ATOM 1095 CG GLN A 63 5.896 34.191 26.085 1.00 0.00 C ATOM 1096 CD GLN A 63 6.647 35.524 26.050 1.00 0.00 C ATOM 1097 OE1 GLN A 63 7.834 35.604 26.319 1.00 0.00 O ATOM 1098 NE2 GLN A 63 5.890 36.562 25.705 1.00 0.00 N ATOM 0 H GLN A 63 6.136 30.813 24.589 1.00 0.00 H new ATOM 0 HA GLN A 63 4.286 32.754 24.897 1.00 0.00 H new ATOM 0 HB2 GLN A 63 7.006 32.499 25.342 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.933 33.848 24.226 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.824 34.371 26.005 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.065 33.699 27.043 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.902 36.424 25.492 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.298 37.496 25.653 1.00 0.00 H new ATOM 1107 N ALA A 64 3.591 33.651 22.722 1.00 0.00 N ATOM 1108 CA ALA A 64 3.167 34.314 21.500 1.00 0.00 C ATOM 1109 C ALA A 64 2.932 33.265 20.412 1.00 0.00 C ATOM 1110 O ALA A 64 3.880 32.781 19.796 1.00 0.00 O ATOM 1111 CB ALA A 64 4.214 35.352 21.093 1.00 0.00 C ATOM 0 H ALA A 64 2.843 33.470 23.391 1.00 0.00 H new ATOM 0 HA ALA A 64 2.227 34.843 21.656 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.896 35.849 20.177 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.323 36.090 21.888 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.170 34.857 20.924 1.00 0.00 H new ATOM 1117 N ILE A 65 1.662 32.945 20.208 1.00 0.00 N ATOM 1118 CA ILE A 65 1.290 31.962 19.204 1.00 0.00 C ATOM 1119 C ILE A 65 0.840 32.684 17.932 1.00 0.00 C ATOM 1120 O ILE A 65 1.656 33.278 17.230 1.00 0.00 O ATOM 1121 CB ILE A 65 0.246 30.993 19.764 1.00 0.00 C ATOM 1122 CG1 ILE A 65 0.767 30.292 21.020 1.00 0.00 C ATOM 1123 CG2 ILE A 65 -0.205 29.996 18.695 1.00 0.00 C ATOM 1124 CD1 ILE A 65 -0.374 29.994 21.995 1.00 0.00 C ATOM 0 H ILE A 65 0.878 33.349 20.721 1.00 0.00 H new ATOM 0 HA ILE A 65 2.149 31.348 18.935 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.632 31.568 20.058 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.265 29.363 20.742 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.513 30.919 21.508 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.947 29.319 19.119 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.644 30.536 17.856 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.654 29.422 18.348 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.024 29.496 22.879 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.854 30.927 22.290 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.106 29.347 21.512 1.00 0.00 H new ATOM 1136 N HIS A 66 -0.457 32.607 17.675 1.00 0.00 N ATOM 1137 CA HIS A 66 -1.026 33.246 16.500 1.00 0.00 C ATOM 1138 C HIS A 66 -1.300 34.721 16.799 1.00 0.00 C ATOM 1139 O HIS A 66 -2.435 35.101 17.079 1.00 0.00 O ATOM 1140 CB HIS A 66 -2.272 32.496 16.023 1.00 0.00 C ATOM 1141 CG HIS A 66 -2.259 32.156 14.552 1.00 0.00 C ATOM 1142 ND1 HIS A 66 -3.299 32.480 13.699 1.00 0.00 N ATOM 1143 CD2 HIS A 66 -1.322 31.519 13.793 1.00 0.00 C ATOM 1144 CE1 HIS A 66 -2.992 32.051 12.483 1.00 0.00 C ATOM 1145 NE2 HIS A 66 -1.766 31.456 12.544 1.00 0.00 N ATOM 0 H HIS A 66 -1.130 32.112 18.260 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.311 33.205 15.678 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.371 31.575 16.597 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.152 33.102 16.238 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.379 31.131 14.148 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.605 32.154 11.600 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -1.272 31.032 11.759 1.00 0.00 H new ATOM 1153 N GLN A 67 -0.239 35.513 16.730 1.00 0.00 N ATOM 1154 CA GLN A 67 -0.351 36.938 16.990 1.00 0.00 C ATOM 1155 C GLN A 67 -1.141 37.182 18.277 1.00 0.00 C ATOM 1156 O GLN A 67 -1.500 36.237 18.978 1.00 0.00 O ATOM 1157 CB GLN A 67 -0.994 37.662 15.806 1.00 0.00 C ATOM 1158 CG GLN A 67 -0.404 37.177 14.480 1.00 0.00 C ATOM 1159 CD GLN A 67 0.984 37.777 14.245 1.00 0.00 C ATOM 1160 OE1 GLN A 67 1.860 37.731 15.093 1.00 0.00 O ATOM 1161 NE2 GLN A 67 1.134 38.340 13.049 1.00 0.00 N ATOM 0 H GLN A 67 0.702 35.194 16.498 1.00 0.00 H new ATOM 0 HA GLN A 67 0.652 37.344 17.120 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.071 37.492 15.813 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.840 38.737 15.905 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.338 36.089 14.484 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.067 37.453 13.660 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.359 38.343 12.386 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.024 38.768 12.795 1.00 0.00 H new ATOM 1170 N LEU A 68 -1.389 38.455 18.548 1.00 0.00 N ATOM 1171 CA LEU A 68 -2.130 38.836 19.739 1.00 0.00 C ATOM 1172 C LEU A 68 -2.751 40.218 19.528 1.00 0.00 C ATOM 1173 O LEU A 68 -2.397 40.923 18.584 1.00 0.00 O ATOM 1174 CB LEU A 68 -1.237 38.745 20.978 1.00 0.00 C ATOM 1175 CG LEU A 68 -0.163 39.827 21.110 1.00 0.00 C ATOM 1176 CD1 LEU A 68 -0.490 40.787 22.256 1.00 0.00 C ATOM 1177 CD2 LEU A 68 1.226 39.204 21.263 1.00 0.00 C ATOM 0 H LEU A 68 -1.090 39.236 17.964 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.951 38.141 19.915 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.872 38.781 21.863 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.746 37.772 20.977 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.154 40.414 20.191 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.289 41.546 22.328 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.449 41.268 22.065 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.543 40.231 23.192 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.971 39.994 21.355 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.248 38.579 22.156 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.450 38.594 20.388 1.00 0.00 H new ATOM 1189 N ARG A 69 -3.665 40.564 20.422 1.00 0.00 N ATOM 1190 CA ARG A 69 -4.338 41.849 20.345 1.00 0.00 C ATOM 1191 C ARG A 69 -3.341 42.949 19.976 1.00 0.00 C ATOM 1192 O ARG A 69 -2.160 42.858 20.307 1.00 0.00 O ATOM 1193 CB ARG A 69 -5.006 42.201 21.676 1.00 0.00 C ATOM 1194 CG ARG A 69 -6.114 41.202 22.015 1.00 0.00 C ATOM 1195 CD ARG A 69 -7.489 41.763 21.650 1.00 0.00 C ATOM 1196 NE ARG A 69 -8.096 40.952 20.570 1.00 0.00 N ATOM 1197 CZ ARG A 69 -9.417 40.933 20.289 1.00 0.00 C ATOM 1198 NH1 ARG A 69 -10.281 41.682 21.006 1.00 0.00 N ATOM 1199 NH2 ARG A 69 -9.850 40.171 19.302 1.00 0.00 N ATOM 0 H ARG A 69 -3.955 39.977 21.204 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.105 41.776 19.574 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.260 42.206 22.471 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.422 43.207 21.623 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.944 40.269 21.478 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.084 40.967 23.079 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.137 41.760 22.527 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.394 42.800 21.328 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.478 40.372 20.003 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.938 42.268 21.767 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.277 41.662 20.787 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.190 39.608 18.765 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.844 40.145 19.076 1.00 0.00 H new ATOM 1212 N SER A 70 -3.854 43.964 19.295 1.00 0.00 N ATOM 1213 CA SER A 70 -3.023 45.080 18.877 1.00 0.00 C ATOM 1214 C SER A 70 -1.971 44.603 17.874 1.00 0.00 C ATOM 1215 O SER A 70 -0.893 44.157 18.264 1.00 0.00 O ATOM 1216 CB SER A 70 -2.348 45.744 20.078 1.00 0.00 C ATOM 1217 OG SER A 70 -3.001 46.953 20.457 1.00 0.00 O ATOM 0 H SER A 70 -4.834 44.036 19.023 1.00 0.00 H new ATOM 0 HA SER A 70 -3.662 45.821 18.398 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.347 45.053 20.921 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.306 45.955 19.837 1.00 0.00 H new ATOM 0 HG SER A 70 -2.541 47.345 21.228 1.00 0.00 H new ATOM 1223 N VAL A 71 -2.321 44.713 16.600 1.00 0.00 N ATOM 1224 CA VAL A 71 -1.421 44.298 15.538 1.00 0.00 C ATOM 1225 C VAL A 71 -0.420 45.421 15.257 1.00 0.00 C ATOM 1226 O VAL A 71 -0.351 45.929 14.139 1.00 0.00 O ATOM 1227 CB VAL A 71 -2.223 43.888 14.302 1.00 0.00 C ATOM 1228 CG1 VAL A 71 -1.297 43.588 13.122 1.00 0.00 C ATOM 1229 CG2 VAL A 71 -3.127 42.692 14.607 1.00 0.00 C ATOM 0 H VAL A 71 -3.216 45.084 16.280 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.849 43.421 15.842 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.860 44.727 14.023 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.893 43.299 12.256 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.715 44.477 12.881 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.623 42.774 13.387 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.686 42.421 13.711 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.517 41.846 14.924 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.823 42.956 15.403 1.00 0.00 H new ATOM 1239 N LYS A 72 0.330 45.774 16.290 1.00 0.00 N ATOM 1240 CA LYS A 72 1.324 46.828 16.167 1.00 0.00 C ATOM 1241 C LYS A 72 0.618 48.162 15.917 1.00 0.00 C ATOM 1242 O LYS A 72 -0.325 48.231 15.131 1.00 0.00 O ATOM 1243 CB LYS A 72 2.357 46.468 15.097 1.00 0.00 C ATOM 1244 CG LYS A 72 3.360 45.441 15.626 1.00 0.00 C ATOM 1245 CD LYS A 72 4.606 46.130 16.186 1.00 0.00 C ATOM 1246 CE LYS A 72 5.042 45.489 17.504 1.00 0.00 C ATOM 1247 NZ LYS A 72 6.024 46.350 18.200 1.00 0.00 N ATOM 0 H LYS A 72 0.270 45.350 17.216 1.00 0.00 H new ATOM 0 HA LYS A 72 1.885 46.933 17.096 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.851 46.068 14.218 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.885 47.367 14.779 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.892 44.838 16.405 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.646 44.760 14.824 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.417 46.067 15.461 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.401 47.189 16.343 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.173 45.329 18.142 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.480 44.510 17.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.309 45.900 19.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.860 46.481 17.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.594 47.275 18.401 1.00 0.00 H new ATOM 1260 N MET A 73 1.103 49.188 16.601 1.00 0.00 N ATOM 1261 CA MET A 73 0.530 50.516 16.463 1.00 0.00 C ATOM 1262 C MET A 73 0.264 50.849 14.993 1.00 0.00 C ATOM 1263 O MET A 73 0.984 50.388 14.109 1.00 0.00 O ATOM 1264 CB MET A 73 1.490 51.550 17.055 1.00 0.00 C ATOM 1265 CG MET A 73 2.821 51.559 16.299 1.00 0.00 C ATOM 1266 SD MET A 73 3.595 53.160 16.445 1.00 0.00 S ATOM 1267 CE MET A 73 4.033 53.136 18.176 1.00 0.00 C ATOM 0 H MET A 73 1.886 49.126 17.252 1.00 0.00 H new ATOM 0 HA MET A 73 -0.419 50.539 16.999 1.00 0.00 H new ATOM 0 HB2 MET A 73 1.036 52.540 17.011 1.00 0.00 H new ATOM 0 HB3 MET A 73 1.667 51.327 18.107 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.481 50.789 16.699 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.654 51.321 15.248 1.00 0.00 H new ATOM 0 HE1 MET A 73 4.608 54.030 18.418 1.00 0.00 H new ATOM 0 HE2 MET A 73 3.126 53.113 18.780 1.00 0.00 H new ATOM 0 HE3 MET A 73 4.632 52.251 18.387 1.00 0.00 H new ATOM 1277 N GLU A 74 -0.772 51.646 14.778 1.00 0.00 N ATOM 1278 CA GLU A 74 -1.142 52.045 13.431 1.00 0.00 C ATOM 1279 C GLU A 74 -1.123 53.570 13.305 1.00 0.00 C ATOM 1280 O GLU A 74 -1.012 54.278 14.305 1.00 0.00 O ATOM 1281 CB GLU A 74 -2.511 51.480 13.048 1.00 0.00 C ATOM 1282 CG GLU A 74 -2.388 50.046 12.531 1.00 0.00 C ATOM 1283 CD GLU A 74 -1.418 49.971 11.350 1.00 0.00 C ATOM 1284 OE1 GLU A 74 -1.265 50.954 10.610 1.00 0.00 O ATOM 1285 OE2 GLU A 74 -0.811 48.840 11.214 1.00 0.00 O ATOM 0 H GLU A 74 -1.367 52.026 15.514 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.409 51.633 12.737 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.173 51.502 13.914 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.966 52.108 12.283 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.041 49.395 13.333 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.368 49.680 12.225 1.00 0.00 H new ATOM 1293 N GLN A 75 -1.234 54.031 12.068 1.00 0.00 N ATOM 1294 CA GLN A 75 -1.231 55.459 11.799 1.00 0.00 C ATOM 1295 C GLN A 75 -2.184 56.181 12.753 1.00 0.00 C ATOM 1296 O GLN A 75 -2.975 55.544 13.446 1.00 0.00 O ATOM 1297 CB GLN A 75 -1.596 55.743 10.340 1.00 0.00 C ATOM 1298 CG GLN A 75 -3.112 55.701 10.136 1.00 0.00 C ATOM 1299 CD GLN A 75 -3.461 55.338 8.691 1.00 0.00 C ATOM 1300 OE1 GLN A 75 -3.690 56.190 7.848 1.00 0.00 O ATOM 1301 NE2 GLN A 75 -3.488 54.030 8.453 1.00 0.00 N ATOM 0 H GLN A 75 -1.327 53.441 11.241 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.223 55.838 11.968 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.213 56.721 10.049 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.118 55.008 9.692 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -3.554 54.972 10.815 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -3.543 56.671 10.385 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.286 53.371 9.205 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.710 53.686 7.519 1.00 0.00 H new ATOM 1310 N ARG A 76 -2.078 57.502 12.758 1.00 0.00 N ATOM 1311 CA ARG A 76 -2.921 58.318 13.615 1.00 0.00 C ATOM 1312 C ARG A 76 -4.354 58.346 13.079 1.00 0.00 C ATOM 1313 O ARG A 76 -4.586 58.070 11.904 1.00 0.00 O ATOM 1314 CB ARG A 76 -2.390 59.750 13.708 1.00 0.00 C ATOM 1315 CG ARG A 76 -2.420 60.435 12.340 1.00 0.00 C ATOM 1316 CD ARG A 76 -3.133 61.786 12.420 1.00 0.00 C ATOM 1317 NE ARG A 76 -3.780 62.094 11.125 1.00 0.00 N ATOM 1318 CZ ARG A 76 -4.052 63.344 10.693 1.00 0.00 C ATOM 1319 NH1 ARG A 76 -3.734 64.415 11.450 1.00 0.00 N ATOM 1320 NH2 ARG A 76 -4.633 63.503 9.518 1.00 0.00 N ATOM 0 H ARG A 76 -1.421 58.028 12.182 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.911 57.874 14.610 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.991 60.319 14.417 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.370 59.739 14.091 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.402 60.578 11.978 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.927 59.794 11.619 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.880 61.766 13.213 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.419 62.569 12.674 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.036 61.313 10.521 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.285 64.284 12.356 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.943 65.356 11.116 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.869 62.688 8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.845 64.440 9.177 1.00 0.00 H new ATOM 1333 N LYS A 77 -5.277 58.681 13.968 1.00 0.00 N ATOM 1334 CA LYS A 77 -6.681 58.749 13.600 1.00 0.00 C ATOM 1335 C LYS A 77 -6.846 59.694 12.408 1.00 0.00 C ATOM 1336 O LYS A 77 -5.889 60.344 11.990 1.00 0.00 O ATOM 1337 CB LYS A 77 -7.535 59.131 14.810 1.00 0.00 C ATOM 1338 CG LYS A 77 -7.252 60.569 15.249 1.00 0.00 C ATOM 1339 CD LYS A 77 -8.484 61.196 15.905 1.00 0.00 C ATOM 1340 CE LYS A 77 -8.980 62.400 15.103 1.00 0.00 C ATOM 1341 NZ LYS A 77 -9.407 63.487 16.011 1.00 0.00 N ATOM 0 H LYS A 77 -5.080 58.908 14.943 1.00 0.00 H new ATOM 0 HA LYS A 77 -7.039 57.769 13.283 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.591 59.024 14.563 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.330 58.448 15.635 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.417 60.581 15.950 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.953 61.164 14.386 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.278 60.453 15.980 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.241 61.507 16.921 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.188 62.758 14.445 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.813 62.102 14.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.741 64.297 15.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.178 63.147 16.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.603 63.782 16.601 1.00 0.00 H new ATOM 1354 N LEU A 78 -8.066 59.740 11.894 1.00 0.00 N ATOM 1355 CA LEU A 78 -8.368 60.594 10.758 1.00 0.00 C ATOM 1356 C LEU A 78 -9.851 60.459 10.403 1.00 0.00 C ATOM 1357 O LEU A 78 -10.507 61.446 10.076 1.00 0.00 O ATOM 1358 CB LEU A 78 -7.427 60.288 9.592 1.00 0.00 C ATOM 1359 CG LEU A 78 -7.211 58.807 9.274 1.00 0.00 C ATOM 1360 CD1 LEU A 78 -8.061 58.373 8.079 1.00 0.00 C ATOM 1361 CD2 LEU A 78 -5.726 58.502 9.063 1.00 0.00 C ATOM 0 H LEU A 78 -8.857 59.199 12.243 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.194 61.640 11.012 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.816 60.778 8.699 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.458 60.738 9.806 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.541 58.222 10.132 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.888 57.316 7.874 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.115 58.531 8.306 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.786 58.962 7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.600 57.443 8.839 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.347 59.097 8.232 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.172 58.749 9.968 1.00 0.00 H new ATOM 1373 N ASN A 79 -10.334 59.227 10.480 1.00 0.00 N ATOM 1374 CA ASN A 79 -11.727 58.950 10.172 1.00 0.00 C ATOM 1375 C ASN A 79 -12.547 58.984 11.462 1.00 0.00 C ATOM 1376 O ASN A 79 -13.521 58.247 11.603 1.00 0.00 O ATOM 1377 CB ASN A 79 -11.886 57.562 9.547 1.00 0.00 C ATOM 1378 CG ASN A 79 -12.998 57.559 8.496 1.00 0.00 C ATOM 1379 OD1 ASN A 79 -14.065 58.122 8.682 1.00 0.00 O ATOM 1380 ND2 ASN A 79 -12.692 56.894 7.386 1.00 0.00 N ATOM 0 H ASN A 79 -9.786 58.410 10.751 1.00 0.00 H new ATOM 0 HA ASN A 79 -12.074 59.706 9.467 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.946 57.256 9.088 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -12.113 56.833 10.325 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -13.369 56.832 6.625 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -11.780 56.445 7.295 1.00 0.00 H new ATOM 1387 N ASP A 80 -12.123 59.849 12.373 1.00 0.00 N ATOM 1388 CA ASP A 80 -12.807 59.989 13.647 1.00 0.00 C ATOM 1389 C ASP A 80 -12.675 58.686 14.438 1.00 0.00 C ATOM 1390 O ASP A 80 -12.120 57.708 13.941 1.00 0.00 O ATOM 1391 CB ASP A 80 -14.297 60.271 13.445 1.00 0.00 C ATOM 1392 CG ASP A 80 -14.906 61.270 14.430 1.00 0.00 C ATOM 1393 OD1 ASP A 80 -14.956 61.020 15.644 1.00 0.00 O ATOM 1394 OD2 ASP A 80 -15.348 62.359 13.899 1.00 0.00 O ATOM 0 H ASP A 80 -11.315 60.459 12.254 1.00 0.00 H new ATOM 0 HA ASP A 80 -12.352 60.822 14.184 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -14.446 60.645 12.432 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -14.843 59.331 13.521 1.00 0.00 H new ATOM 1400 N GLN A 81 -13.196 58.715 15.656 1.00 0.00 N ATOM 1401 CA GLN A 81 -13.143 57.549 16.520 1.00 0.00 C ATOM 1402 C GLN A 81 -11.709 57.303 16.993 1.00 0.00 C ATOM 1403 O GLN A 81 -10.802 57.143 16.178 1.00 0.00 O ATOM 1404 CB GLN A 81 -13.706 56.315 15.811 1.00 0.00 C ATOM 1405 CG GLN A 81 -14.844 55.689 16.620 1.00 0.00 C ATOM 1406 CD GLN A 81 -14.818 54.163 16.512 1.00 0.00 C ATOM 1407 OE1 GLN A 81 -15.438 53.565 15.649 1.00 0.00 O ATOM 1408 NE2 GLN A 81 -14.067 53.569 17.436 1.00 0.00 N ATOM 0 H GLN A 81 -13.657 59.528 16.065 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.765 57.741 17.394 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -14.069 56.594 14.822 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.913 55.582 15.665 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.757 55.985 17.666 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.801 56.066 16.260 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.574 54.130 18.130 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.985 52.552 17.450 1.00 0.00 H new ATOM 1417 N ALA A 82 -11.549 57.281 18.308 1.00 0.00 N ATOM 1418 CA ALA A 82 -10.241 57.057 18.900 1.00 0.00 C ATOM 1419 C ALA A 82 -10.379 56.992 20.422 1.00 0.00 C ATOM 1420 O ALA A 82 -10.564 58.017 21.076 1.00 0.00 O ATOM 1421 CB ALA A 82 -9.281 58.159 18.447 1.00 0.00 C ATOM 0 H ALA A 82 -12.304 57.415 18.981 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.826 56.106 18.567 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.300 57.992 18.891 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.195 58.143 17.360 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.663 59.128 18.767 1.00 0.00 H new ATOM 1427 N ASN A 83 -10.282 55.777 20.942 1.00 0.00 N ATOM 1428 CA ASN A 83 -10.393 55.565 22.375 1.00 0.00 C ATOM 1429 C ASN A 83 -11.745 56.091 22.861 1.00 0.00 C ATOM 1430 O ASN A 83 -12.323 56.988 22.248 1.00 0.00 O ATOM 1431 CB ASN A 83 -9.295 56.317 23.130 1.00 0.00 C ATOM 1432 CG ASN A 83 -9.743 57.738 23.479 1.00 0.00 C ATOM 1433 OD1 ASN A 83 -10.677 57.954 24.234 1.00 0.00 O ATOM 1434 ND2 ASN A 83 -9.028 58.691 22.889 1.00 0.00 N ATOM 0 H ASN A 83 -10.128 54.929 20.396 1.00 0.00 H new ATOM 0 HA ASN A 83 -10.295 54.496 22.566 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -9.041 55.778 24.043 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.392 56.356 22.521 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.249 59.672 23.058 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.259 58.441 22.268 1.00 0.00 H new ATOM 1441 N THR A 84 -12.211 55.511 23.957 1.00 0.00 N ATOM 1442 CA THR A 84 -13.485 55.910 24.531 1.00 0.00 C ATOM 1443 C THR A 84 -13.401 57.337 25.076 1.00 0.00 C ATOM 1444 O THR A 84 -13.996 58.255 24.515 1.00 0.00 O ATOM 1445 CB THR A 84 -13.870 54.876 25.592 1.00 0.00 C ATOM 1446 OG1 THR A 84 -12.686 54.720 26.370 1.00 0.00 O ATOM 1447 CG2 THR A 84 -14.110 53.488 24.997 1.00 0.00 C ATOM 0 H THR A 84 -11.729 54.768 24.463 1.00 0.00 H new ATOM 0 HA THR A 84 -14.270 55.930 23.775 1.00 0.00 H new ATOM 0 HB THR A 84 -14.768 55.208 26.113 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.847 54.067 27.083 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.380 52.793 25.792 1.00 0.00 H new ATOM 0 HG22 THR A 84 -14.920 53.539 24.269 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.201 53.141 24.505 1.00 0.00 H new ATOM 1455 N LEU A 85 -12.656 57.478 26.163 1.00 0.00 N ATOM 1456 CA LEU A 85 -12.486 58.778 26.789 1.00 0.00 C ATOM 1457 C LEU A 85 -10.993 59.081 26.928 1.00 0.00 C ATOM 1458 O LEU A 85 -10.365 59.571 25.990 1.00 0.00 O ATOM 1459 CB LEU A 85 -13.252 58.839 28.113 1.00 0.00 C ATOM 1460 CG LEU A 85 -13.309 57.538 28.915 1.00 0.00 C ATOM 1461 CD1 LEU A 85 -12.973 57.785 30.387 1.00 0.00 C ATOM 1462 CD2 LEU A 85 -14.665 56.848 28.744 1.00 0.00 C ATOM 0 H LEU A 85 -12.164 56.714 26.626 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.914 59.561 26.163 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.798 59.608 28.738 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -14.273 59.159 27.905 1.00 0.00 H new ATOM 0 HG LEU A 85 -12.551 56.861 28.522 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -13.021 56.843 30.934 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.968 58.200 30.466 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -13.690 58.488 30.811 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -14.680 55.925 29.324 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -15.457 57.510 29.095 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -14.825 56.617 27.691 1.00 0.00 H new ATOM 1474 N VAL A 86 -10.467 58.778 28.106 1.00 0.00 N ATOM 1475 CA VAL A 86 -9.059 59.012 28.379 1.00 0.00 C ATOM 1476 C VAL A 86 -8.661 60.388 27.842 1.00 0.00 C ATOM 1477 O VAL A 86 -7.558 60.562 27.327 1.00 0.00 O ATOM 1478 CB VAL A 86 -8.217 57.876 27.796 1.00 0.00 C ATOM 1479 CG1 VAL A 86 -8.224 57.918 26.267 1.00 0.00 C ATOM 1480 CG2 VAL A 86 -6.787 57.918 28.340 1.00 0.00 C ATOM 0 H VAL A 86 -10.990 58.373 28.882 1.00 0.00 H new ATOM 0 HA VAL A 86 -8.874 59.017 29.453 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.666 56.933 28.107 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.618 57.100 25.878 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.247 57.816 25.905 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.812 58.868 25.927 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.210 57.100 27.910 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.324 58.868 28.073 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.807 57.816 29.425 1.00 0.00 H new ATOM 1490 N ASP A 87 -9.582 61.331 27.979 1.00 0.00 N ATOM 1491 CA ASP A 87 -9.341 62.686 27.514 1.00 0.00 C ATOM 1492 C ASP A 87 -9.070 63.593 28.715 1.00 0.00 C ATOM 1493 O ASP A 87 -9.807 64.548 28.955 1.00 0.00 O ATOM 1494 CB ASP A 87 -10.560 63.237 26.770 1.00 0.00 C ATOM 1495 CG ASP A 87 -11.899 63.031 27.481 1.00 0.00 C ATOM 1496 OD1 ASP A 87 -12.228 61.916 27.911 1.00 0.00 O ATOM 1497 OD2 ASP A 87 -12.629 64.089 27.587 1.00 0.00 O ATOM 0 H ASP A 87 -10.497 61.183 28.406 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.485 62.664 26.839 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -10.414 64.304 26.605 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.611 62.766 25.788 1.00 0.00 H new ATOM 1503 N LEU A 88 -8.011 63.261 29.439 1.00 0.00 N ATOM 1504 CA LEU A 88 -7.634 64.034 30.610 1.00 0.00 C ATOM 1505 C LEU A 88 -7.149 65.417 30.169 1.00 0.00 C ATOM 1506 O LEU A 88 -7.304 66.395 30.899 1.00 0.00 O ATOM 1507 CB LEU A 88 -6.615 63.266 31.454 1.00 0.00 C ATOM 1508 CG LEU A 88 -5.301 62.906 30.756 1.00 0.00 C ATOM 1509 CD1 LEU A 88 -4.360 64.111 30.705 1.00 0.00 C ATOM 1510 CD2 LEU A 88 -4.643 61.693 31.417 1.00 0.00 C ATOM 0 H LEU A 88 -7.403 62.468 29.237 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.497 64.190 31.257 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.383 63.860 32.338 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -7.082 62.345 31.803 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.526 62.629 29.726 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.434 63.829 30.204 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.837 64.922 30.155 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.138 64.442 31.719 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.711 61.459 30.902 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.433 61.918 32.463 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.315 60.837 31.358 1.00 0.00 H new ATOM 1522 N ALA A 89 -6.572 65.454 28.977 1.00 0.00 N ATOM 1523 CA ALA A 89 -6.063 66.700 28.430 1.00 0.00 C ATOM 1524 C ALA A 89 -5.682 66.490 26.963 1.00 0.00 C ATOM 1525 O ALA A 89 -5.972 67.334 26.116 1.00 0.00 O ATOM 1526 CB ALA A 89 -4.884 67.185 29.275 1.00 0.00 C ATOM 0 H ALA A 89 -6.446 64.641 28.374 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.829 67.475 28.464 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.502 68.120 28.864 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.214 67.347 30.301 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.094 66.434 29.263 1.00 0.00 H new ATOM 1532 N LYS A 90 -5.039 65.361 26.708 1.00 0.00 N ATOM 1533 CA LYS A 90 -4.615 65.029 25.358 1.00 0.00 C ATOM 1534 C LYS A 90 -3.548 66.027 24.904 1.00 0.00 C ATOM 1535 O LYS A 90 -2.354 65.774 25.051 1.00 0.00 O ATOM 1536 CB LYS A 90 -5.823 64.951 24.421 1.00 0.00 C ATOM 1537 CG LYS A 90 -6.551 63.614 24.576 1.00 0.00 C ATOM 1538 CD LYS A 90 -8.005 63.726 24.114 1.00 0.00 C ATOM 1539 CE LYS A 90 -8.326 62.671 23.053 1.00 0.00 C ATOM 1540 NZ LYS A 90 -9.595 62.997 22.365 1.00 0.00 N ATOM 0 H LYS A 90 -4.801 64.664 27.413 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.158 64.040 25.334 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.509 65.770 24.637 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.496 65.073 23.389 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.039 62.847 23.995 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.520 63.297 25.619 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.672 63.603 24.967 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.186 64.721 23.709 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.515 62.619 22.327 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.400 61.689 23.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.798 62.271 21.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.369 63.024 23.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.511 63.925 21.903 1.00 0.00 H new ATOM 1553 N THR A 91 -4.018 67.141 24.360 1.00 0.00 N ATOM 1554 CA THR A 91 -3.119 68.178 23.883 1.00 0.00 C ATOM 1555 C THR A 91 -3.855 69.515 23.778 1.00 0.00 C ATOM 1556 O THR A 91 -3.932 70.102 22.700 1.00 0.00 O ATOM 1557 CB THR A 91 -2.518 67.709 22.557 1.00 0.00 C ATOM 1558 OG1 THR A 91 -1.836 68.858 22.059 1.00 0.00 O ATOM 1559 CG2 THR A 91 -3.586 67.423 21.499 1.00 0.00 C ATOM 0 H THR A 91 -5.010 67.347 24.239 1.00 0.00 H new ATOM 0 HA THR A 91 -2.302 68.347 24.585 1.00 0.00 H new ATOM 0 HB THR A 91 -1.924 66.811 22.726 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.486 69.566 21.866 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.106 67.094 20.577 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.255 66.641 21.859 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.159 68.330 21.306 1.00 0.00 H new ATOM 1567 N GLN A 92 -4.377 69.957 24.913 1.00 0.00 N ATOM 1568 CA GLN A 92 -5.105 71.214 24.962 1.00 0.00 C ATOM 1569 C GLN A 92 -5.978 71.371 23.716 1.00 0.00 C ATOM 1570 O GLN A 92 -5.778 72.292 22.926 1.00 0.00 O ATOM 1571 CB GLN A 92 -4.146 72.397 25.113 1.00 0.00 C ATOM 1572 CG GLN A 92 -4.732 73.463 26.040 1.00 0.00 C ATOM 1573 CD GLN A 92 -3.703 73.910 27.080 1.00 0.00 C ATOM 1574 OE1 GLN A 92 -2.697 74.526 26.771 1.00 0.00 O ATOM 1575 NE2 GLN A 92 -4.011 73.566 28.328 1.00 0.00 N ATOM 0 H GLN A 92 -4.310 69.467 25.805 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.755 71.201 25.837 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.193 72.049 25.511 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.943 72.833 24.135 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -5.058 74.322 25.453 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -5.615 73.068 26.543 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.870 73.050 28.517 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.388 73.818 29.095 1.00 0.00 H new TER 1584 GLN A 92