USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=14 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 41 LYS NZ :NH3+ 152:sc= -0.107 (180deg=-0.481) USER MOD Set 1.2: A 44 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0718) USER MOD Single : A 1 ARG N :NH3+ 149:sc= 0.0287 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 120:sc= -1.21 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=-0.00557 X(o=-0.0056,f=-0.02) USER MOD Single : A 13 HIS : no HD1:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.0117 X(o=-0.012,f=-0.23) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0437 K(o=-0.044,f=-1.1) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0245 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= -0.0671 K(o=-0.067,f=-1.9!) USER MOD Single : A 31 ASN : amide:sc= -0.891 K(o=-0.89,f=-1.7!) USER MOD Single : A 36 THR OG1 : rot 76:sc= -0.27 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.4) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -114:sc= -0.0139 (180deg=-0.208) 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=-0.014) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0.115 K(o=0.12,f=-3.2!) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 67 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.1) 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 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 77 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0257) USER MOD Single : A 79 ASN : amide:sc= -0.431 X(o=-0.43,f=-0.15) USER MOD Single : A 81 GLN : amide:sc= -0.0829 X(o=-0.083,f=-0.0019) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.992! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 40:sc= 0.202 USER MOD Single : A 92 GLN : amide:sc= -0.0206 X(o=-0.021,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 102.073 7.594 -12.916 1.00 0.00 N ATOM 2 CA ARG A 1 100.834 7.954 -12.249 1.00 0.00 C ATOM 3 C ARG A 1 100.080 6.696 -11.813 1.00 0.00 C ATOM 4 O ARG A 1 100.408 5.591 -12.243 1.00 0.00 O ATOM 5 CB ARG A 1 99.936 8.786 -13.168 1.00 0.00 C ATOM 6 CG ARG A 1 99.494 10.078 -12.480 1.00 0.00 C ATOM 7 CD ARG A 1 98.586 10.903 -13.394 1.00 0.00 C ATOM 8 NE ARG A 1 97.177 10.486 -13.218 1.00 0.00 N ATOM 9 CZ ARG A 1 96.114 11.262 -13.517 1.00 0.00 C ATOM 10 NH1 ARG A 1 96.292 12.506 -14.011 1.00 0.00 N ATOM 11 NH2 ARG A 1 94.898 10.787 -13.320 1.00 0.00 N ATOM 0 H1 ARG A 1 102.304 8.313 -13.631 1.00 0.00 H new ATOM 0 H2 ARG A 1 102.841 7.542 -12.217 1.00 0.00 H new ATOM 0 H3 ARG A 1 101.962 6.669 -13.378 1.00 0.00 H new ATOM 0 HA ARG A 1 101.090 8.550 -11.373 1.00 0.00 H new ATOM 0 HB2 ARG A 1 100.471 9.024 -14.087 1.00 0.00 H new ATOM 0 HB3 ARG A 1 99.060 8.203 -13.451 1.00 0.00 H new ATOM 0 HG2 ARG A 1 98.967 9.840 -11.556 1.00 0.00 H new ATOM 0 HG3 ARG A 1 100.370 10.666 -12.205 1.00 0.00 H new ATOM 0 HD2 ARG A 1 98.691 11.963 -13.164 1.00 0.00 H new ATOM 0 HD3 ARG A 1 98.886 10.771 -14.434 1.00 0.00 H new ATOM 0 HE ARG A 1 96.998 9.553 -12.847 1.00 0.00 H new ATOM 0 HH11 ARG A 1 97.235 12.865 -14.161 1.00 0.00 H new ATOM 0 HH12 ARG A 1 95.484 13.086 -14.235 1.00 0.00 H new ATOM 0 HH21 ARG A 1 94.772 9.846 -12.947 1.00 0.00 H new ATOM 0 HH22 ARG A 1 94.084 11.361 -13.541 1.00 0.00 H new ATOM 24 N LYS A 2 99.084 6.906 -10.965 1.00 0.00 N ATOM 25 CA LYS A 2 98.281 5.802 -10.466 1.00 0.00 C ATOM 26 C LYS A 2 96.895 6.321 -10.077 1.00 0.00 C ATOM 27 O LYS A 2 96.771 7.402 -9.504 1.00 0.00 O ATOM 28 CB LYS A 2 99.009 5.080 -9.331 1.00 0.00 C ATOM 29 CG LYS A 2 98.951 3.563 -9.519 1.00 0.00 C ATOM 30 CD LYS A 2 98.485 2.869 -8.237 1.00 0.00 C ATOM 31 CE LYS A 2 98.627 1.350 -8.354 1.00 0.00 C ATOM 32 NZ LYS A 2 97.410 0.676 -7.849 1.00 0.00 N ATOM 0 H LYS A 2 98.815 7.824 -10.611 1.00 0.00 H new ATOM 0 HA LYS A 2 98.135 5.054 -11.245 1.00 0.00 H new ATOM 0 HB2 LYS A 2 100.049 5.406 -9.296 1.00 0.00 H new ATOM 0 HB3 LYS A 2 98.558 5.349 -8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 2 98.272 3.320 -10.336 1.00 0.00 H new ATOM 0 HG3 LYS A 2 99.935 3.190 -9.801 1.00 0.00 H new ATOM 0 HD2 LYS A 2 99.071 3.229 -7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 2 97.445 3.126 -8.037 1.00 0.00 H new ATOM 0 HE2 LYS A 2 98.798 1.074 -9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 2 99.497 1.015 -7.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 97.523 -0.354 -7.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 97.264 0.926 -6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 96.587 0.982 -8.406 1.00 0.00 H new ATOM 45 N LEU A 3 95.887 5.525 -10.404 1.00 0.00 N ATOM 46 CA LEU A 3 94.515 5.890 -10.095 1.00 0.00 C ATOM 47 C LEU A 3 93.695 4.620 -9.859 1.00 0.00 C ATOM 48 O LEU A 3 93.673 3.725 -10.703 1.00 0.00 O ATOM 49 CB LEU A 3 93.944 6.797 -11.187 1.00 0.00 C ATOM 50 CG LEU A 3 92.523 7.314 -10.954 1.00 0.00 C ATOM 51 CD1 LEU A 3 92.382 8.763 -11.424 1.00 0.00 C ATOM 52 CD2 LEU A 3 91.490 6.395 -11.610 1.00 0.00 C ATOM 0 H LEU A 3 95.993 4.629 -10.880 1.00 0.00 H new ATOM 0 HA LEU A 3 94.473 6.472 -9.175 1.00 0.00 H new ATOM 0 HB2 LEU A 3 94.607 7.654 -11.303 1.00 0.00 H new ATOM 0 HB3 LEU A 3 93.961 6.251 -12.130 1.00 0.00 H new ATOM 0 HG LEU A 3 92.328 7.303 -9.882 1.00 0.00 H new ATOM 0 HD11 LEU A 3 91.362 9.105 -11.247 1.00 0.00 H new ATOM 0 HD12 LEU A 3 93.078 9.394 -10.871 1.00 0.00 H new ATOM 0 HD13 LEU A 3 92.605 8.823 -12.489 1.00 0.00 H new ATOM 0 HD21 LEU A 3 90.489 6.786 -11.429 1.00 0.00 H new ATOM 0 HD22 LEU A 3 91.673 6.349 -12.684 1.00 0.00 H new ATOM 0 HD23 LEU A 3 91.571 5.394 -11.185 1.00 0.00 H new ATOM 64 N GLU A 4 93.041 4.582 -8.707 1.00 0.00 N ATOM 65 CA GLU A 4 92.222 3.437 -8.349 1.00 0.00 C ATOM 66 C GLU A 4 90.784 3.879 -8.068 1.00 0.00 C ATOM 67 O GLU A 4 89.848 3.398 -8.704 1.00 0.00 O ATOM 68 CB GLU A 4 92.812 2.694 -7.149 1.00 0.00 C ATOM 69 CG GLU A 4 93.941 1.758 -7.583 1.00 0.00 C ATOM 70 CD GLU A 4 93.383 0.454 -8.156 1.00 0.00 C ATOM 71 OE1 GLU A 4 92.872 0.442 -9.286 1.00 0.00 O ATOM 72 OE2 GLU A 4 93.494 -0.573 -7.384 1.00 0.00 O ATOM 0 H GLU A 4 93.062 5.326 -8.010 1.00 0.00 H new ATOM 0 HA GLU A 4 92.210 2.746 -9.192 1.00 0.00 H new ATOM 0 HB2 GLU A 4 93.190 3.413 -6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 4 92.030 2.120 -6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 4 94.561 2.252 -8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 4 94.584 1.539 -6.731 1.00 0.00 H new ATOM 80 N LEU A 5 90.656 4.791 -7.116 1.00 0.00 N ATOM 81 CA LEU A 5 89.348 5.304 -6.743 1.00 0.00 C ATOM 82 C LEU A 5 88.509 5.516 -8.005 1.00 0.00 C ATOM 83 O LEU A 5 88.746 6.456 -8.761 1.00 0.00 O ATOM 84 CB LEU A 5 89.491 6.561 -5.882 1.00 0.00 C ATOM 85 CG LEU A 5 88.913 6.474 -4.468 1.00 0.00 C ATOM 86 CD1 LEU A 5 90.007 6.150 -3.447 1.00 0.00 C ATOM 87 CD2 LEU A 5 88.153 7.752 -4.107 1.00 0.00 C ATOM 0 H LEU A 5 91.436 5.188 -6.592 1.00 0.00 H new ATOM 0 HA LEU A 5 88.817 4.580 -6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 5 90.550 6.807 -5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 5 89.008 7.389 -6.400 1.00 0.00 H new ATOM 0 HG LEU A 5 88.195 5.654 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 5 89.569 6.094 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 5 90.466 5.193 -3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 5 90.766 6.932 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 5 87.752 7.664 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 5 88.831 8.604 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 5 87.334 7.899 -4.811 1.00 0.00 H new ATOM 99 N THR A 6 87.546 4.625 -8.193 1.00 0.00 N ATOM 100 CA THR A 6 86.671 4.702 -9.350 1.00 0.00 C ATOM 101 C THR A 6 85.711 5.886 -9.214 1.00 0.00 C ATOM 102 O THR A 6 84.989 5.994 -8.223 1.00 0.00 O ATOM 103 CB THR A 6 85.959 3.356 -9.495 1.00 0.00 C ATOM 104 OG1 THR A 6 85.252 3.468 -10.727 1.00 0.00 O ATOM 105 CG2 THR A 6 84.858 3.160 -8.451 1.00 0.00 C ATOM 0 H THR A 6 87.353 3.846 -7.563 1.00 0.00 H new ATOM 0 HA THR A 6 87.237 4.886 -10.263 1.00 0.00 H new ATOM 0 HB THR A 6 86.688 2.550 -9.410 1.00 0.00 H new ATOM 0 HG1 THR A 6 85.561 2.773 -11.346 1.00 0.00 H new ATOM 0 HG21 THR A 6 84.385 2.189 -8.599 1.00 0.00 H new ATOM 0 HG22 THR A 6 85.292 3.204 -7.452 1.00 0.00 H new ATOM 0 HG23 THR A 6 84.112 3.947 -8.557 1.00 0.00 H new ATOM 113 N LYS A 7 85.733 6.743 -10.223 1.00 0.00 N ATOM 114 CA LYS A 7 84.873 7.915 -10.229 1.00 0.00 C ATOM 115 C LYS A 7 83.410 7.468 -10.253 1.00 0.00 C ATOM 116 O LYS A 7 82.985 6.771 -11.173 1.00 0.00 O ATOM 117 CB LYS A 7 85.249 8.850 -11.380 1.00 0.00 C ATOM 118 CG LYS A 7 85.156 8.128 -12.726 1.00 0.00 C ATOM 119 CD LYS A 7 83.744 8.231 -13.306 1.00 0.00 C ATOM 120 CE LYS A 7 83.688 9.264 -14.434 1.00 0.00 C ATOM 121 NZ LYS A 7 83.186 8.644 -15.680 1.00 0.00 N ATOM 0 H LYS A 7 86.333 6.650 -11.043 1.00 0.00 H new ATOM 0 HA LYS A 7 85.015 8.496 -9.318 1.00 0.00 H new ATOM 0 HB2 LYS A 7 84.587 9.716 -11.381 1.00 0.00 H new ATOM 0 HB3 LYS A 7 86.262 9.224 -11.233 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.873 8.560 -13.425 1.00 0.00 H new ATOM 0 HG3 LYS A 7 85.426 7.079 -12.600 1.00 0.00 H new ATOM 0 HD2 LYS A 7 83.430 7.258 -13.684 1.00 0.00 H new ATOM 0 HD3 LYS A 7 83.043 8.509 -12.519 1.00 0.00 H new ATOM 0 HE2 LYS A 7 83.039 10.091 -14.146 1.00 0.00 H new ATOM 0 HE3 LYS A 7 84.681 9.681 -14.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 83.154 9.359 -16.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 83.820 7.870 -15.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 82.230 8.267 -15.520 1.00 0.00 H new ATOM 134 N ALA A 8 82.680 7.888 -9.230 1.00 0.00 N ATOM 135 CA ALA A 8 81.273 7.540 -9.122 1.00 0.00 C ATOM 136 C ALA A 8 81.100 6.045 -9.397 1.00 0.00 C ATOM 137 O ALA A 8 81.261 5.221 -8.498 1.00 0.00 O ATOM 138 CB ALA A 8 80.457 8.408 -10.082 1.00 0.00 C ATOM 0 H ALA A 8 83.036 8.466 -8.469 1.00 0.00 H new ATOM 0 HA ALA A 8 80.905 7.735 -8.115 1.00 0.00 H new ATOM 0 HB1 ALA A 8 79.402 8.147 -10.001 1.00 0.00 H new ATOM 0 HB2 ALA A 8 80.592 9.459 -9.826 1.00 0.00 H new ATOM 0 HB3 ALA A 8 80.796 8.237 -11.104 1.00 0.00 H new ATOM 144 N GLU A 9 80.773 5.739 -10.644 1.00 0.00 N ATOM 145 CA GLU A 9 80.575 4.358 -11.049 1.00 0.00 C ATOM 146 C GLU A 9 79.235 3.838 -10.527 1.00 0.00 C ATOM 147 O GLU A 9 78.964 2.639 -10.586 1.00 0.00 O ATOM 148 CB GLU A 9 81.730 3.476 -10.570 1.00 0.00 C ATOM 149 CG GLU A 9 82.457 2.834 -11.753 1.00 0.00 C ATOM 150 CD GLU A 9 81.635 1.688 -12.347 1.00 0.00 C ATOM 151 OE1 GLU A 9 81.474 0.642 -11.701 1.00 0.00 O ATOM 152 OE2 GLU A 9 81.153 1.915 -13.522 1.00 0.00 O ATOM 0 H GLU A 9 80.640 6.424 -11.388 1.00 0.00 H new ATOM 0 HA GLU A 9 80.558 4.318 -12.138 1.00 0.00 H new ATOM 0 HB2 GLU A 9 82.432 4.074 -9.988 1.00 0.00 H new ATOM 0 HB3 GLU A 9 81.348 2.699 -9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 9 82.646 3.586 -12.519 1.00 0.00 H new ATOM 0 HG3 GLU A 9 83.428 2.459 -11.428 1.00 0.00 H new ATOM 160 N LYS A 10 78.431 4.765 -10.026 1.00 0.00 N ATOM 161 CA LYS A 10 77.125 4.415 -9.493 1.00 0.00 C ATOM 162 C LYS A 10 76.049 5.217 -10.227 1.00 0.00 C ATOM 163 O LYS A 10 75.014 4.671 -10.607 1.00 0.00 O ATOM 164 CB LYS A 10 77.100 4.597 -7.974 1.00 0.00 C ATOM 165 CG LYS A 10 77.881 5.846 -7.559 1.00 0.00 C ATOM 166 CD LYS A 10 77.770 6.084 -6.051 1.00 0.00 C ATOM 167 CE LYS A 10 76.351 6.506 -5.666 1.00 0.00 C ATOM 168 NZ LYS A 10 75.842 5.662 -4.562 1.00 0.00 N ATOM 0 H LYS A 10 78.659 5.758 -9.978 1.00 0.00 H new ATOM 0 HA LYS A 10 76.912 3.360 -9.667 1.00 0.00 H new ATOM 0 HB2 LYS A 10 76.069 4.678 -7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 10 77.529 3.719 -7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 10 78.929 5.734 -7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 10 77.500 6.714 -8.097 1.00 0.00 H new ATOM 0 HD2 LYS A 10 78.041 5.175 -5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 10 78.478 6.856 -5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 10 76.346 7.553 -5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 10 75.693 6.421 -6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 74.878 5.961 -4.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 75.829 4.667 -4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 76.462 5.764 -3.733 1.00 0.00 H new ATOM 181 N HIS A 11 76.329 6.500 -10.403 1.00 0.00 N ATOM 182 CA HIS A 11 75.397 7.383 -11.084 1.00 0.00 C ATOM 183 C HIS A 11 74.167 7.609 -10.203 1.00 0.00 C ATOM 184 O HIS A 11 74.028 6.984 -9.153 1.00 0.00 O ATOM 185 CB HIS A 11 75.042 6.835 -12.468 1.00 0.00 C ATOM 186 CG HIS A 11 75.594 7.652 -13.612 1.00 0.00 C ATOM 187 ND1 HIS A 11 76.423 7.117 -14.583 1.00 0.00 N ATOM 188 CD2 HIS A 11 75.426 8.967 -13.930 1.00 0.00 C ATOM 189 CE1 HIS A 11 76.735 8.078 -15.441 1.00 0.00 C ATOM 190 NE2 HIS A 11 76.116 9.223 -15.035 1.00 0.00 N ATOM 0 H HIS A 11 77.188 6.949 -10.086 1.00 0.00 H new ATOM 0 HA HIS A 11 75.865 8.353 -11.250 1.00 0.00 H new ATOM 0 HB2 HIS A 11 75.416 5.814 -12.550 1.00 0.00 H new ATOM 0 HB3 HIS A 11 73.957 6.785 -12.561 1.00 0.00 H new ATOM 0 HD2 HIS A 11 74.832 9.680 -13.377 1.00 0.00 H new ATOM 0 HE1 HIS A 11 77.368 7.973 -16.309 1.00 0.00 H new ATOM 0 HE2 HIS A 11 76.174 10.127 -15.503 1.00 0.00 H new ATOM 198 N VAL A 12 73.306 8.505 -10.663 1.00 0.00 N ATOM 199 CA VAL A 12 72.093 8.822 -9.930 1.00 0.00 C ATOM 200 C VAL A 12 72.357 8.682 -8.430 1.00 0.00 C ATOM 201 O VAL A 12 72.125 7.621 -7.851 1.00 0.00 O ATOM 202 CB VAL A 12 70.941 7.941 -10.419 1.00 0.00 C ATOM 203 CG1 VAL A 12 70.747 8.082 -11.930 1.00 0.00 C ATOM 204 CG2 VAL A 12 71.164 6.479 -10.028 1.00 0.00 C ATOM 0 H VAL A 12 73.425 9.021 -11.535 1.00 0.00 H new ATOM 0 HA VAL A 12 71.795 9.855 -10.113 1.00 0.00 H new ATOM 0 HB VAL A 12 70.028 8.282 -9.931 1.00 0.00 H new ATOM 0 HG11 VAL A 12 69.923 7.446 -12.252 1.00 0.00 H new ATOM 0 HG12 VAL A 12 70.520 9.120 -12.172 1.00 0.00 H new ATOM 0 HG13 VAL A 12 71.660 7.781 -12.444 1.00 0.00 H new ATOM 0 HG21 VAL A 12 70.331 5.875 -10.388 1.00 0.00 H new ATOM 0 HG22 VAL A 12 72.091 6.120 -10.474 1.00 0.00 H new ATOM 0 HG23 VAL A 12 71.229 6.398 -8.943 1.00 0.00 H new ATOM 214 N HIS A 13 72.839 9.768 -7.842 1.00 0.00 N ATOM 215 CA HIS A 13 73.137 9.779 -6.420 1.00 0.00 C ATOM 216 C HIS A 13 71.836 9.684 -5.622 1.00 0.00 C ATOM 217 O HIS A 13 71.618 8.717 -4.894 1.00 0.00 O ATOM 218 CB HIS A 13 73.972 11.006 -6.050 1.00 0.00 C ATOM 219 CG HIS A 13 74.126 11.219 -4.563 1.00 0.00 C ATOM 220 ND1 HIS A 13 74.125 12.474 -3.981 1.00 0.00 N ATOM 221 CD2 HIS A 13 74.286 10.323 -3.547 1.00 0.00 C ATOM 222 CE1 HIS A 13 74.278 12.329 -2.673 1.00 0.00 C ATOM 223 NE2 HIS A 13 74.378 10.995 -2.406 1.00 0.00 N ATOM 0 H HIS A 13 73.030 10.646 -8.325 1.00 0.00 H new ATOM 0 HA HIS A 13 73.742 8.909 -6.165 1.00 0.00 H new ATOM 0 HB2 HIS A 13 74.961 10.908 -6.497 1.00 0.00 H new ATOM 0 HB3 HIS A 13 73.511 11.892 -6.488 1.00 0.00 H new ATOM 0 HD2 HIS A 13 74.330 9.249 -3.653 1.00 0.00 H new ATOM 0 HE1 HIS A 13 74.317 13.127 -1.946 1.00 0.00 H new ATOM 0 HE2 HIS A 13 74.503 10.582 -1.482 1.00 0.00 H new ATOM 231 N ASN A 14 71.004 10.703 -5.785 1.00 0.00 N ATOM 232 CA ASN A 14 69.730 10.747 -5.088 1.00 0.00 C ATOM 233 C ASN A 14 68.790 9.698 -5.686 1.00 0.00 C ATOM 234 O ASN A 14 68.099 9.967 -6.668 1.00 0.00 O ATOM 235 CB ASN A 14 69.066 12.117 -5.239 1.00 0.00 C ATOM 236 CG ASN A 14 69.817 13.181 -4.436 1.00 0.00 C ATOM 237 OD1 ASN A 14 70.942 13.545 -4.737 1.00 0.00 O ATOM 238 ND2 ASN A 14 69.134 13.658 -3.399 1.00 0.00 N ATOM 0 H ASN A 14 71.188 11.504 -6.389 1.00 0.00 H new ATOM 0 HA ASN A 14 69.917 10.551 -4.032 1.00 0.00 H new ATOM 0 HB2 ASN A 14 69.042 12.400 -6.291 1.00 0.00 H new ATOM 0 HB3 ASN A 14 68.031 12.063 -4.900 1.00 0.00 H new ATOM 0 HD21 ASN A 14 69.549 14.372 -2.800 1.00 0.00 H new ATOM 0 HD22 ASN A 14 68.196 13.310 -3.203 1.00 0.00 H new ATOM 245 N PHE A 15 68.793 8.526 -5.069 1.00 0.00 N ATOM 246 CA PHE A 15 67.950 7.436 -5.528 1.00 0.00 C ATOM 247 C PHE A 15 66.669 7.345 -4.695 1.00 0.00 C ATOM 248 O PHE A 15 66.707 6.943 -3.534 1.00 0.00 O ATOM 249 CB PHE A 15 68.751 6.145 -5.352 1.00 0.00 C ATOM 250 CG PHE A 15 69.007 5.766 -3.892 1.00 0.00 C ATOM 251 CD1 PHE A 15 70.057 6.313 -3.221 1.00 0.00 C ATOM 252 CD2 PHE A 15 68.186 4.883 -3.264 1.00 0.00 C ATOM 253 CE1 PHE A 15 70.295 5.962 -1.866 1.00 0.00 C ATOM 254 CE2 PHE A 15 68.424 4.532 -1.909 1.00 0.00 C ATOM 255 CZ PHE A 15 69.473 5.079 -1.238 1.00 0.00 C ATOM 0 H PHE A 15 69.366 8.307 -4.254 1.00 0.00 H new ATOM 0 HA PHE A 15 67.665 7.599 -6.567 1.00 0.00 H new ATOM 0 HB2 PHE A 15 68.218 5.329 -5.840 1.00 0.00 H new ATOM 0 HB3 PHE A 15 69.708 6.251 -5.862 1.00 0.00 H new ATOM 0 HD1 PHE A 15 70.710 7.014 -3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 15 67.353 4.448 -3.796 1.00 0.00 H new ATOM 0 HE1 PHE A 15 71.129 6.396 -1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 15 67.772 3.830 -1.411 1.00 0.00 H new ATOM 0 HZ PHE A 15 69.653 4.812 -0.207 1.00 0.00 H new ATOM 265 N MET A 16 65.565 7.725 -5.322 1.00 0.00 N ATOM 266 CA MET A 16 64.276 7.692 -4.653 1.00 0.00 C ATOM 267 C MET A 16 64.395 8.181 -3.208 1.00 0.00 C ATOM 268 O MET A 16 64.494 7.376 -2.284 1.00 0.00 O ATOM 269 CB MET A 16 63.731 6.262 -4.666 1.00 0.00 C ATOM 270 CG MET A 16 64.087 5.551 -5.973 1.00 0.00 C ATOM 271 SD MET A 16 63.084 4.087 -6.164 1.00 0.00 S ATOM 272 CE MET A 16 63.949 3.292 -7.508 1.00 0.00 C ATOM 0 H MET A 16 65.537 8.057 -6.286 1.00 0.00 H new ATOM 0 HA MET A 16 63.594 8.355 -5.185 1.00 0.00 H new ATOM 0 HB2 MET A 16 64.140 5.706 -3.822 1.00 0.00 H new ATOM 0 HB3 MET A 16 62.648 6.281 -4.541 1.00 0.00 H new ATOM 0 HG2 MET A 16 63.929 6.223 -6.817 1.00 0.00 H new ATOM 0 HG3 MET A 16 65.143 5.281 -5.974 1.00 0.00 H new ATOM 0 HE1 MET A 16 63.451 2.355 -7.757 1.00 0.00 H new ATOM 0 HE2 MET A 16 63.947 3.947 -8.379 1.00 0.00 H new ATOM 0 HE3 MET A 16 64.977 3.088 -7.209 1.00 0.00 H new ATOM 282 N MET A 17 64.380 9.497 -3.060 1.00 0.00 N ATOM 283 CA MET A 17 64.485 10.103 -1.743 1.00 0.00 C ATOM 284 C MET A 17 63.451 9.510 -0.783 1.00 0.00 C ATOM 285 O MET A 17 63.761 9.234 0.375 1.00 0.00 O ATOM 286 CB MET A 17 64.270 11.613 -1.857 1.00 0.00 C ATOM 287 CG MET A 17 65.424 12.276 -2.612 1.00 0.00 C ATOM 288 SD MET A 17 65.385 14.042 -2.357 1.00 0.00 S ATOM 289 CE MET A 17 65.274 14.597 -4.050 1.00 0.00 C ATOM 0 H MET A 17 64.297 10.161 -3.830 1.00 0.00 H new ATOM 0 HA MET A 17 65.480 9.898 -1.347 1.00 0.00 H new ATOM 0 HB2 MET A 17 63.331 11.812 -2.373 1.00 0.00 H new ATOM 0 HB3 MET A 17 64.185 12.048 -0.861 1.00 0.00 H new ATOM 0 HG2 MET A 17 66.375 11.871 -2.267 1.00 0.00 H new ATOM 0 HG3 MET A 17 65.350 12.052 -3.676 1.00 0.00 H new ATOM 0 HE1 MET A 17 65.240 15.686 -4.074 1.00 0.00 H new ATOM 0 HE2 MET A 17 66.145 14.249 -4.605 1.00 0.00 H new ATOM 0 HE3 MET A 17 64.369 14.195 -4.506 1.00 0.00 H new ATOM 299 N ASP A 18 62.245 9.333 -1.300 1.00 0.00 N ATOM 300 CA ASP A 18 61.163 8.778 -0.503 1.00 0.00 C ATOM 301 C ASP A 18 61.219 9.371 0.906 1.00 0.00 C ATOM 302 O ASP A 18 61.866 8.815 1.792 1.00 0.00 O ATOM 303 CB ASP A 18 61.291 7.258 -0.383 1.00 0.00 C ATOM 304 CG ASP A 18 60.522 6.459 -1.436 1.00 0.00 C ATOM 305 OD1 ASP A 18 61.033 6.193 -2.535 1.00 0.00 O ATOM 306 OD2 ASP A 18 59.333 6.100 -1.087 1.00 0.00 O ATOM 0 H ASP A 18 61.992 9.564 -2.261 1.00 0.00 H new ATOM 0 HA ASP A 18 60.221 9.022 -0.995 1.00 0.00 H new ATOM 0 HB2 ASP A 18 62.346 6.991 -0.445 1.00 0.00 H new ATOM 0 HB3 ASP A 18 60.944 6.956 0.605 1.00 0.00 H new ATOM 312 N THR A 19 60.530 10.491 1.070 1.00 0.00 N ATOM 313 CA THR A 19 60.493 11.165 2.357 1.00 0.00 C ATOM 314 C THR A 19 59.461 12.295 2.337 1.00 0.00 C ATOM 315 O THR A 19 58.723 12.483 3.303 1.00 0.00 O ATOM 316 CB THR A 19 61.910 11.641 2.682 1.00 0.00 C ATOM 317 OG1 THR A 19 61.819 12.107 4.026 1.00 0.00 O ATOM 318 CG2 THR A 19 62.308 12.883 1.883 1.00 0.00 C ATOM 0 H THR A 19 59.993 10.949 0.333 1.00 0.00 H new ATOM 0 HA THR A 19 60.173 10.489 3.149 1.00 0.00 H new ATOM 0 HB THR A 19 62.618 10.838 2.480 1.00 0.00 H new ATOM 0 HG1 THR A 19 62.695 12.433 4.319 1.00 0.00 H new ATOM 0 HG21 THR A 19 63.322 13.179 2.152 1.00 0.00 H new ATOM 0 HG22 THR A 19 62.266 12.659 0.817 1.00 0.00 H new ATOM 0 HG23 THR A 19 61.620 13.698 2.110 1.00 0.00 H new ATOM 326 N GLN A 20 59.443 13.017 1.226 1.00 0.00 N ATOM 327 CA GLN A 20 58.515 14.123 1.068 1.00 0.00 C ATOM 328 C GLN A 20 57.072 13.626 1.185 1.00 0.00 C ATOM 329 O GLN A 20 56.327 14.072 2.056 1.00 0.00 O ATOM 330 CB GLN A 20 58.740 14.843 -0.263 1.00 0.00 C ATOM 331 CG GLN A 20 58.112 16.238 -0.246 1.00 0.00 C ATOM 332 CD GLN A 20 58.623 17.084 -1.413 1.00 0.00 C ATOM 333 OE1 GLN A 20 59.749 16.950 -1.864 1.00 0.00 O ATOM 334 NE2 GLN A 20 57.736 17.960 -1.876 1.00 0.00 N ATOM 0 H GLN A 20 60.056 12.857 0.427 1.00 0.00 H new ATOM 0 HA GLN A 20 58.698 14.841 1.867 1.00 0.00 H new ATOM 0 HB2 GLN A 20 59.809 14.924 -0.460 1.00 0.00 H new ATOM 0 HB3 GLN A 20 58.310 14.257 -1.075 1.00 0.00 H new ATOM 0 HG2 GLN A 20 57.027 16.153 -0.302 1.00 0.00 H new ATOM 0 HG3 GLN A 20 58.345 16.734 0.696 1.00 0.00 H new ATOM 0 HE21 GLN A 20 56.810 18.021 -1.452 1.00 0.00 H new ATOM 0 HE22 GLN A 20 57.982 18.571 -2.655 1.00 0.00 H new ATOM 343 N LEU A 21 56.722 12.709 0.295 1.00 0.00 N ATOM 344 CA LEU A 21 55.383 12.147 0.288 1.00 0.00 C ATOM 345 C LEU A 21 55.475 10.622 0.197 1.00 0.00 C ATOM 346 O LEU A 21 55.265 10.046 -0.870 1.00 0.00 O ATOM 347 CB LEU A 21 54.542 12.779 -0.823 1.00 0.00 C ATOM 348 CG LEU A 21 54.220 14.265 -0.657 1.00 0.00 C ATOM 349 CD1 LEU A 21 53.635 14.847 -1.945 1.00 0.00 C ATOM 350 CD2 LEU A 21 53.301 14.496 0.545 1.00 0.00 C ATOM 0 H LEU A 21 57.343 12.342 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 21 54.867 12.381 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 21 55.066 12.645 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 21 53.603 12.230 -0.898 1.00 0.00 H new ATOM 0 HG LEU A 21 55.151 14.796 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 21 53.415 15.905 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 21 54.355 14.734 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 21 52.717 14.317 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 21 53.088 15.561 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 21 52.368 13.951 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 21 53.792 14.142 1.452 1.00 0.00 H new ATOM 362 N THR A 22 55.789 10.012 1.330 1.00 0.00 N ATOM 363 CA THR A 22 55.911 8.565 1.392 1.00 0.00 C ATOM 364 C THR A 22 54.582 7.901 1.027 1.00 0.00 C ATOM 365 O THR A 22 54.508 7.140 0.063 1.00 0.00 O ATOM 366 CB THR A 22 56.413 8.192 2.788 1.00 0.00 C ATOM 367 OG1 THR A 22 55.462 8.784 3.669 1.00 0.00 O ATOM 368 CG2 THR A 22 57.730 8.886 3.142 1.00 0.00 C ATOM 0 H THR A 22 55.963 10.493 2.213 1.00 0.00 H new ATOM 0 HA THR A 22 56.633 8.198 0.662 1.00 0.00 H new ATOM 0 HB THR A 22 56.544 7.112 2.849 1.00 0.00 H new ATOM 0 HG1 THR A 22 55.710 8.590 4.597 1.00 0.00 H new ATOM 0 HG21 THR A 22 58.042 8.587 4.143 1.00 0.00 H new ATOM 0 HG22 THR A 22 58.497 8.600 2.422 1.00 0.00 H new ATOM 0 HG23 THR A 22 57.591 9.967 3.113 1.00 0.00 H new ATOM 376 N LYS A 23 53.565 8.214 1.816 1.00 0.00 N ATOM 377 CA LYS A 23 52.242 7.657 1.588 1.00 0.00 C ATOM 378 C LYS A 23 52.327 6.130 1.605 1.00 0.00 C ATOM 379 O LYS A 23 53.407 5.562 1.451 1.00 0.00 O ATOM 380 CB LYS A 23 51.636 8.226 0.303 1.00 0.00 C ATOM 381 CG LYS A 23 50.114 8.070 0.300 1.00 0.00 C ATOM 382 CD LYS A 23 49.485 8.802 1.487 1.00 0.00 C ATOM 383 CE LYS A 23 47.990 9.033 1.258 1.00 0.00 C ATOM 384 NZ LYS A 23 47.770 10.274 0.481 1.00 0.00 N ATOM 0 H LYS A 23 53.630 8.846 2.614 1.00 0.00 H new ATOM 0 HA LYS A 23 51.562 7.947 2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 23 51.897 9.280 0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 23 52.060 7.714 -0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 23 49.707 8.463 -0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 23 49.853 7.012 0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 23 49.632 8.220 2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 23 49.986 9.759 1.636 1.00 0.00 H new ATOM 0 HE2 LYS A 23 47.562 8.183 0.726 1.00 0.00 H new ATOM 0 HE3 LYS A 23 47.476 9.101 2.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 46.750 10.416 0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 48.161 11.084 1.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 48.244 10.195 -0.441 1.00 0.00 H new ATOM 397 N ARG A 24 51.172 5.507 1.792 1.00 0.00 N ATOM 398 CA ARG A 24 51.102 4.056 1.831 1.00 0.00 C ATOM 399 C ARG A 24 49.739 3.577 1.327 1.00 0.00 C ATOM 400 O ARG A 24 48.717 4.203 1.601 1.00 0.00 O ATOM 401 CB ARG A 24 51.326 3.531 3.251 1.00 0.00 C ATOM 402 CG ARG A 24 52.818 3.360 3.543 1.00 0.00 C ATOM 403 CD ARG A 24 53.063 3.151 5.038 1.00 0.00 C ATOM 404 NE ARG A 24 53.355 1.726 5.309 1.00 0.00 N ATOM 405 CZ ARG A 24 53.216 1.142 6.519 1.00 0.00 C ATOM 406 NH1 ARG A 24 52.788 1.857 7.580 1.00 0.00 N ATOM 407 NH2 ARG A 24 53.505 -0.140 6.647 1.00 0.00 N ATOM 0 H ARG A 24 50.278 5.981 1.918 1.00 0.00 H new ATOM 0 HA ARG A 24 51.889 3.669 1.184 1.00 0.00 H new ATOM 0 HB2 ARG A 24 50.888 4.222 3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 24 50.816 2.576 3.374 1.00 0.00 H new ATOM 0 HG2 ARG A 24 53.206 2.508 2.985 1.00 0.00 H new ATOM 0 HG3 ARG A 24 53.362 4.240 3.201 1.00 0.00 H new ATOM 0 HD2 ARG A 24 53.897 3.771 5.368 1.00 0.00 H new ATOM 0 HD3 ARG A 24 52.187 3.466 5.606 1.00 0.00 H new ATOM 0 HE ARG A 24 53.682 1.149 4.534 1.00 0.00 H new ATOM 0 HH11 ARG A 24 52.566 2.847 7.472 1.00 0.00 H new ATOM 0 HH12 ARG A 24 52.686 1.408 8.490 1.00 0.00 H new ATOM 0 HH21 ARG A 24 53.828 -0.673 5.839 1.00 0.00 H new ATOM 0 HH22 ARG A 24 53.406 -0.597 7.553 1.00 0.00 H new ATOM 420 N VAL A 25 49.769 2.471 0.598 1.00 0.00 N ATOM 421 CA VAL A 25 48.549 1.901 0.053 1.00 0.00 C ATOM 422 C VAL A 25 47.639 3.028 -0.439 1.00 0.00 C ATOM 423 O VAL A 25 46.417 2.933 -0.340 1.00 0.00 O ATOM 424 CB VAL A 25 47.879 1.004 1.096 1.00 0.00 C ATOM 425 CG1 VAL A 25 47.674 1.754 2.413 1.00 0.00 C ATOM 426 CG2 VAL A 25 46.554 0.447 0.570 1.00 0.00 C ATOM 0 H VAL A 25 50.619 1.955 0.372 1.00 0.00 H new ATOM 0 HA VAL A 25 48.774 1.267 -0.805 1.00 0.00 H new ATOM 0 HB VAL A 25 48.543 0.162 1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 25 47.196 1.094 3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 25 48.639 2.079 2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 25 47.040 2.624 2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 25 46.098 -0.187 1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 25 45.881 1.271 0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 25 46.738 -0.140 -0.330 1.00 0.00 H new ATOM 436 N LYS A 26 48.271 4.071 -0.958 1.00 0.00 N ATOM 437 CA LYS A 26 47.534 5.216 -1.466 1.00 0.00 C ATOM 438 C LYS A 26 46.431 5.588 -0.472 1.00 0.00 C ATOM 439 O LYS A 26 45.303 5.874 -0.870 1.00 0.00 O ATOM 440 CB LYS A 26 47.019 4.938 -2.879 1.00 0.00 C ATOM 441 CG LYS A 26 47.765 5.788 -3.911 1.00 0.00 C ATOM 442 CD LYS A 26 47.790 7.259 -3.494 1.00 0.00 C ATOM 443 CE LYS A 26 47.496 8.172 -4.686 1.00 0.00 C ATOM 444 NZ LYS A 26 46.759 9.378 -4.246 1.00 0.00 N ATOM 0 H LYS A 26 49.285 4.147 -1.038 1.00 0.00 H new ATOM 0 HA LYS A 26 48.190 6.082 -1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 26 47.144 3.881 -3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 26 45.951 5.152 -2.930 1.00 0.00 H new ATOM 0 HG2 LYS A 26 48.785 5.420 -4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 26 47.284 5.690 -4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 26 47.053 7.431 -2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 26 48.765 7.505 -3.075 1.00 0.00 H new ATOM 0 HE2 LYS A 26 48.430 8.464 -5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 26 46.910 7.632 -5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 46.568 9.987 -5.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 45.859 9.095 -3.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 47.332 9.901 -3.553 1.00 0.00 H new ATOM 457 N ASN A 27 46.796 5.572 0.801 1.00 0.00 N ATOM 458 CA ASN A 27 45.852 5.904 1.855 1.00 0.00 C ATOM 459 C ASN A 27 45.032 4.662 2.209 1.00 0.00 C ATOM 460 O ASN A 27 44.875 4.332 3.383 1.00 0.00 O ATOM 461 CB ASN A 27 44.883 6.997 1.401 1.00 0.00 C ATOM 462 CG ASN A 27 44.304 7.750 2.601 1.00 0.00 C ATOM 463 OD1 ASN A 27 44.851 7.746 3.691 1.00 0.00 O ATOM 464 ND2 ASN A 27 43.170 8.393 2.340 1.00 0.00 N ATOM 0 H ASN A 27 47.733 5.334 1.127 1.00 0.00 H new ATOM 0 HA ASN A 27 46.418 6.259 2.716 1.00 0.00 H new ATOM 0 HB2 ASN A 27 45.400 7.696 0.744 1.00 0.00 H new ATOM 0 HB3 ASN A 27 44.074 6.553 0.821 1.00 0.00 H new ATOM 0 HD21 ASN A 27 42.704 8.925 3.075 1.00 0.00 H new ATOM 0 HD22 ASN A 27 42.766 8.355 1.404 1.00 0.00 H new ATOM 471 N ALA A 28 44.531 4.008 1.172 1.00 0.00 N ATOM 472 CA ALA A 28 43.730 2.809 1.359 1.00 0.00 C ATOM 473 C ALA A 28 42.275 3.207 1.610 1.00 0.00 C ATOM 474 O ALA A 28 41.388 2.355 1.625 1.00 0.00 O ATOM 475 CB ALA A 28 44.314 1.979 2.503 1.00 0.00 C ATOM 0 H ALA A 28 44.664 4.285 0.199 1.00 0.00 H new ATOM 0 HA ALA A 28 43.751 2.189 0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 28 43.714 1.080 2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.339 1.697 2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.306 2.568 3.420 1.00 0.00 H new ATOM 481 N ALA A 29 42.074 4.503 1.801 1.00 0.00 N ATOM 482 CA ALA A 29 40.741 5.024 2.051 1.00 0.00 C ATOM 483 C ALA A 29 40.228 4.483 3.387 1.00 0.00 C ATOM 484 O ALA A 29 39.034 4.236 3.544 1.00 0.00 O ATOM 485 CB ALA A 29 39.822 4.659 0.883 1.00 0.00 C ATOM 0 H ALA A 29 42.812 5.207 1.788 1.00 0.00 H new ATOM 0 HA ALA A 29 40.762 6.111 2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 29 38.822 5.050 1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 29 40.214 5.092 -0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 29 39.775 3.575 0.782 1.00 0.00 H new ATOM 491 N ALA A 30 41.158 4.314 4.316 1.00 0.00 N ATOM 492 CA ALA A 30 40.815 3.807 5.634 1.00 0.00 C ATOM 493 C ALA A 30 39.574 4.537 6.150 1.00 0.00 C ATOM 494 O ALA A 30 39.665 5.673 6.614 1.00 0.00 O ATOM 495 CB ALA A 30 42.015 3.964 6.570 1.00 0.00 C ATOM 0 H ALA A 30 42.148 4.519 4.182 1.00 0.00 H new ATOM 0 HA ALA A 30 40.576 2.745 5.586 1.00 0.00 H new ATOM 0 HB1 ALA A 30 41.758 3.584 7.559 1.00 0.00 H new ATOM 0 HB2 ALA A 30 42.861 3.402 6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 30 42.282 5.018 6.645 1.00 0.00 H new ATOM 501 N ASN A 31 38.442 3.855 6.053 1.00 0.00 N ATOM 502 CA ASN A 31 37.184 4.425 6.505 1.00 0.00 C ATOM 503 C ASN A 31 37.010 5.816 5.892 1.00 0.00 C ATOM 504 O ASN A 31 36.285 6.650 6.432 1.00 0.00 O ATOM 505 CB ASN A 31 37.161 4.573 8.027 1.00 0.00 C ATOM 506 CG ASN A 31 37.113 3.205 8.710 1.00 0.00 C ATOM 507 OD1 ASN A 31 36.130 2.823 9.324 1.00 0.00 O ATOM 508 ND2 ASN A 31 38.226 2.490 8.570 1.00 0.00 N ATOM 0 H ASN A 31 38.370 2.913 5.668 1.00 0.00 H new ATOM 0 HA ASN A 31 36.381 3.756 6.196 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.046 5.117 8.356 1.00 0.00 H new ATOM 0 HB3 ASN A 31 36.295 5.163 8.326 1.00 0.00 H new ATOM 0 HD21 ASN A 31 38.293 1.563 8.990 1.00 0.00 H new ATOM 0 HD22 ASN A 31 39.013 2.869 8.043 1.00 0.00 H new ATOM 515 N VAL A 32 37.688 6.024 4.772 1.00 0.00 N ATOM 516 CA VAL A 32 37.617 7.299 4.080 1.00 0.00 C ATOM 517 C VAL A 32 37.681 8.434 5.104 1.00 0.00 C ATOM 518 O VAL A 32 37.233 9.547 4.831 1.00 0.00 O ATOM 519 CB VAL A 32 36.362 7.352 3.206 1.00 0.00 C ATOM 520 CG1 VAL A 32 35.175 6.695 3.912 1.00 0.00 C ATOM 521 CG2 VAL A 32 36.034 8.791 2.805 1.00 0.00 C ATOM 0 H VAL A 32 38.289 5.330 4.327 1.00 0.00 H new ATOM 0 HA VAL A 32 38.468 7.417 3.409 1.00 0.00 H new ATOM 0 HB VAL A 32 36.564 6.788 2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 32 34.296 6.746 3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 32 35.410 5.652 4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 32 34.972 7.218 4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 32 35.138 8.801 2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 32 35.862 9.388 3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 32 36.868 9.212 2.244 1.00 0.00 H new ATOM 531 N LEU A 33 38.240 8.114 6.261 1.00 0.00 N ATOM 532 CA LEU A 33 38.368 9.092 7.328 1.00 0.00 C ATOM 533 C LEU A 33 36.976 9.468 7.839 1.00 0.00 C ATOM 534 O LEU A 33 36.659 9.248 9.007 1.00 0.00 O ATOM 535 CB LEU A 33 39.195 10.291 6.858 1.00 0.00 C ATOM 536 CG LEU A 33 39.643 11.265 7.949 1.00 0.00 C ATOM 537 CD1 LEU A 33 41.045 11.805 7.661 1.00 0.00 C ATOM 538 CD2 LEU A 33 38.622 12.390 8.133 1.00 0.00 C ATOM 0 H LEU A 33 38.610 7.190 6.484 1.00 0.00 H new ATOM 0 HA LEU A 33 38.913 8.668 8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 33 40.082 9.917 6.346 1.00 0.00 H new ATOM 0 HB3 LEU A 33 38.611 10.844 6.122 1.00 0.00 H new ATOM 0 HG LEU A 33 39.696 10.720 8.892 1.00 0.00 H new ATOM 0 HD11 LEU A 33 41.339 12.495 8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 33 41.753 10.977 7.620 1.00 0.00 H new ATOM 0 HD13 LEU A 33 41.044 12.328 6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 33 38.965 13.068 8.914 1.00 0.00 H new ATOM 0 HD22 LEU A 33 38.513 12.939 7.198 1.00 0.00 H new ATOM 0 HD23 LEU A 33 37.660 11.965 8.418 1.00 0.00 H new ATOM 550 N ARG A 34 36.181 10.028 6.939 1.00 0.00 N ATOM 551 CA ARG A 34 34.830 10.437 7.284 1.00 0.00 C ATOM 552 C ARG A 34 33.928 9.210 7.439 1.00 0.00 C ATOM 553 O ARG A 34 32.840 9.303 8.003 1.00 0.00 O ATOM 554 CB ARG A 34 34.244 11.360 6.215 1.00 0.00 C ATOM 555 CG ARG A 34 33.113 12.215 6.789 1.00 0.00 C ATOM 556 CD ARG A 34 33.532 13.684 6.889 1.00 0.00 C ATOM 557 NE ARG A 34 32.359 14.560 6.674 1.00 0.00 N ATOM 558 CZ ARG A 34 31.926 14.961 5.460 1.00 0.00 C ATOM 559 NH1 ARG A 34 32.567 14.566 4.339 1.00 0.00 N ATOM 560 NH2 ARG A 34 30.866 15.745 5.384 1.00 0.00 N ATOM 0 H ARG A 34 36.447 10.208 5.971 1.00 0.00 H new ATOM 0 HA ARG A 34 34.878 10.979 8.228 1.00 0.00 H new ATOM 0 HB2 ARG A 34 35.027 12.006 5.818 1.00 0.00 H new ATOM 0 HB3 ARG A 34 33.868 10.765 5.382 1.00 0.00 H new ATOM 0 HG2 ARG A 34 32.229 12.127 6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 34 32.837 11.844 7.776 1.00 0.00 H new ATOM 0 HD2 ARG A 34 33.968 13.880 7.868 1.00 0.00 H new ATOM 0 HD3 ARG A 34 34.301 13.903 6.148 1.00 0.00 H new ATOM 0 HE ARG A 34 31.845 14.881 7.495 1.00 0.00 H new ATOM 0 HH11 ARG A 34 33.385 13.960 4.406 1.00 0.00 H new ATOM 0 HH12 ARG A 34 32.233 14.873 3.425 1.00 0.00 H new ATOM 0 HH21 ARG A 34 30.387 16.039 6.235 1.00 0.00 H new ATOM 0 HH22 ARG A 34 30.526 16.057 4.474 1.00 0.00 H new ATOM 573 N GLU A 35 34.415 8.089 6.928 1.00 0.00 N ATOM 574 CA GLU A 35 33.667 6.846 7.002 1.00 0.00 C ATOM 575 C GLU A 35 32.262 7.037 6.427 1.00 0.00 C ATOM 576 O GLU A 35 31.272 6.937 7.151 1.00 0.00 O ATOM 577 CB GLU A 35 33.605 6.328 8.441 1.00 0.00 C ATOM 578 CG GLU A 35 34.603 7.069 9.333 1.00 0.00 C ATOM 579 CD GLU A 35 33.924 8.217 10.082 1.00 0.00 C ATOM 580 OE1 GLU A 35 32.894 8.004 10.740 1.00 0.00 O ATOM 581 OE2 GLU A 35 34.503 9.363 9.963 1.00 0.00 O ATOM 0 H GLU A 35 35.319 8.016 6.461 1.00 0.00 H new ATOM 0 HA GLU A 35 34.185 6.097 6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 35 32.596 6.455 8.834 1.00 0.00 H new ATOM 0 HB3 GLU A 35 33.821 5.260 8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 35 35.043 6.374 10.048 1.00 0.00 H new ATOM 0 HG3 GLU A 35 35.419 7.459 8.725 1.00 0.00 H new ATOM 589 N THR A 36 32.220 7.308 5.131 1.00 0.00 N ATOM 590 CA THR A 36 30.952 7.513 4.450 1.00 0.00 C ATOM 591 C THR A 36 30.288 6.170 4.142 1.00 0.00 C ATOM 592 O THR A 36 29.075 6.102 3.953 1.00 0.00 O ATOM 593 CB THR A 36 31.217 8.361 3.204 1.00 0.00 C ATOM 594 OG1 THR A 36 32.450 7.857 2.697 1.00 0.00 O ATOM 595 CG2 THR A 36 31.522 9.821 3.543 1.00 0.00 C ATOM 0 H THR A 36 33.043 7.390 4.534 1.00 0.00 H new ATOM 0 HA THR A 36 30.245 8.050 5.082 1.00 0.00 H new ATOM 0 HB THR A 36 30.351 8.316 2.543 1.00 0.00 H new ATOM 0 HG1 THR A 36 32.293 7.001 2.247 1.00 0.00 H new ATOM 0 HG21 THR A 36 31.702 10.378 2.624 1.00 0.00 H new ATOM 0 HG22 THR A 36 30.674 10.257 4.071 1.00 0.00 H new ATOM 0 HG23 THR A 36 32.408 9.870 4.176 1.00 0.00 H new ATOM 603 N TRP A 37 31.114 5.134 4.101 1.00 0.00 N ATOM 604 CA TRP A 37 30.622 3.796 3.819 1.00 0.00 C ATOM 605 C TRP A 37 30.323 3.111 5.154 1.00 0.00 C ATOM 606 O TRP A 37 29.806 1.995 5.180 1.00 0.00 O ATOM 607 CB TRP A 37 31.616 3.017 2.956 1.00 0.00 C ATOM 608 CG TRP A 37 32.780 3.861 2.432 1.00 0.00 C ATOM 609 CD1 TRP A 37 34.051 3.867 2.856 1.00 0.00 C ATOM 610 CD2 TRP A 37 32.727 4.827 1.361 1.00 0.00 C ATOM 611 NE1 TRP A 37 34.819 4.763 2.140 1.00 0.00 N ATOM 612 CE2 TRP A 37 33.988 5.366 1.202 1.00 0.00 C ATOM 613 CE3 TRP A 37 31.650 5.233 0.554 1.00 0.00 C ATOM 614 CZ2 TRP A 37 34.290 6.340 0.243 1.00 0.00 C ATOM 615 CZ3 TRP A 37 31.968 6.207 -0.400 1.00 0.00 C ATOM 616 CH2 TRP A 37 33.232 6.759 -0.572 1.00 0.00 C ATOM 0 H TRP A 37 32.120 5.194 4.258 1.00 0.00 H new ATOM 0 HA TRP A 37 29.702 3.838 3.236 1.00 0.00 H new ATOM 0 HB2 TRP A 37 32.016 2.188 3.539 1.00 0.00 H new ATOM 0 HB3 TRP A 37 31.084 2.584 2.109 1.00 0.00 H new ATOM 0 HD1 TRP A 37 34.427 3.248 3.657 1.00 0.00 H new ATOM 0 HE1 TRP A 37 35.813 4.949 2.274 1.00 0.00 H new ATOM 0 HE3 TRP A 37 30.656 4.826 0.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 35.285 6.746 0.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 31.176 6.554 -1.047 1.00 0.00 H new ATOM 0 HH2 TRP A 37 33.397 7.509 -1.332 1.00 0.00 H new ATOM 627 N LEU A 38 30.660 3.808 6.229 1.00 0.00 N ATOM 628 CA LEU A 38 30.434 3.281 7.564 1.00 0.00 C ATOM 629 C LEU A 38 29.083 3.778 8.082 1.00 0.00 C ATOM 630 O LEU A 38 28.476 3.148 8.946 1.00 0.00 O ATOM 631 CB LEU A 38 31.609 3.624 8.481 1.00 0.00 C ATOM 632 CG LEU A 38 32.965 3.036 8.083 1.00 0.00 C ATOM 633 CD1 LEU A 38 32.909 1.508 8.041 1.00 0.00 C ATOM 634 CD2 LEU A 38 33.452 3.628 6.759 1.00 0.00 C ATOM 0 H LEU A 38 31.088 4.733 6.203 1.00 0.00 H new ATOM 0 HA LEU A 38 30.385 2.192 7.541 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.705 4.709 8.525 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.369 3.284 9.488 1.00 0.00 H new ATOM 0 HG LEU A 38 33.693 3.311 8.846 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.885 1.116 7.756 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.638 1.127 9.026 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.163 1.191 7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 38 34.417 3.193 6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.730 3.405 5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.556 4.708 6.860 1.00 0.00 H new ATOM 646 N ILE A 39 28.653 4.905 7.533 1.00 0.00 N ATOM 647 CA ILE A 39 27.386 5.494 7.929 1.00 0.00 C ATOM 648 C ILE A 39 26.261 4.885 7.090 1.00 0.00 C ATOM 649 O ILE A 39 25.179 4.605 7.606 1.00 0.00 O ATOM 650 CB ILE A 39 27.456 7.020 7.847 1.00 0.00 C ATOM 651 CG1 ILE A 39 28.112 7.470 6.540 1.00 0.00 C ATOM 652 CG2 ILE A 39 28.162 7.603 9.073 1.00 0.00 C ATOM 653 CD1 ILE A 39 27.791 8.936 6.242 1.00 0.00 C ATOM 0 H ILE A 39 29.160 5.425 6.817 1.00 0.00 H new ATOM 0 HA ILE A 39 27.168 5.263 8.972 1.00 0.00 H new ATOM 0 HB ILE A 39 26.438 7.409 7.846 1.00 0.00 H new ATOM 0 HG12 ILE A 39 29.192 7.337 6.606 1.00 0.00 H new ATOM 0 HG13 ILE A 39 27.763 6.843 5.719 1.00 0.00 H new ATOM 0 HG21 ILE A 39 28.198 8.689 8.990 1.00 0.00 H new ATOM 0 HG22 ILE A 39 27.614 7.326 9.974 1.00 0.00 H new ATOM 0 HG23 ILE A 39 29.177 7.209 9.130 1.00 0.00 H new ATOM 0 HD11 ILE A 39 28.269 9.231 5.308 1.00 0.00 H new ATOM 0 HD12 ILE A 39 26.712 9.061 6.152 1.00 0.00 H new ATOM 0 HD13 ILE A 39 28.163 9.562 7.053 1.00 0.00 H new ATOM 665 N TYR A 40 26.554 4.697 5.812 1.00 0.00 N ATOM 666 CA TYR A 40 25.580 4.125 4.897 1.00 0.00 C ATOM 667 C TYR A 40 24.216 4.800 5.057 1.00 0.00 C ATOM 668 O TYR A 40 23.362 4.313 5.796 1.00 0.00 O ATOM 669 CB TYR A 40 25.454 2.650 5.282 1.00 0.00 C ATOM 670 CG TYR A 40 26.206 1.697 4.350 1.00 0.00 C ATOM 671 CD1 TYR A 40 26.200 1.917 2.988 1.00 0.00 C ATOM 672 CD2 TYR A 40 26.890 0.618 4.872 1.00 0.00 C ATOM 673 CE1 TYR A 40 26.908 1.020 2.111 1.00 0.00 C ATOM 674 CE2 TYR A 40 27.598 -0.278 3.995 1.00 0.00 C ATOM 675 CZ TYR A 40 27.572 -0.033 2.658 1.00 0.00 C ATOM 676 OH TYR A 40 28.240 -0.880 1.830 1.00 0.00 O ATOM 0 H TYR A 40 27.452 4.930 5.388 1.00 0.00 H new ATOM 0 HA TYR A 40 25.898 4.261 3.863 1.00 0.00 H new ATOM 0 HB2 TYR A 40 25.826 2.517 6.298 1.00 0.00 H new ATOM 0 HB3 TYR A 40 24.399 2.376 5.291 1.00 0.00 H new ATOM 0 HD1 TYR A 40 25.665 2.761 2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 40 26.894 0.446 5.938 1.00 0.00 H new ATOM 0 HE1 TYR A 40 26.911 1.180 1.043 1.00 0.00 H new ATOM 0 HE2 TYR A 40 28.138 -1.126 4.390 1.00 0.00 H new ATOM 0 HH TYR A 40 28.668 -1.585 2.359 1.00 0.00 H new ATOM 686 N LYS A 41 24.054 5.910 4.351 1.00 0.00 N ATOM 687 CA LYS A 41 22.808 6.655 4.405 1.00 0.00 C ATOM 688 C LYS A 41 22.156 6.652 3.021 1.00 0.00 C ATOM 689 O LYS A 41 22.659 7.283 2.093 1.00 0.00 O ATOM 690 CB LYS A 41 23.048 8.058 4.969 1.00 0.00 C ATOM 691 CG LYS A 41 22.983 8.053 6.497 1.00 0.00 C ATOM 692 CD LYS A 41 24.327 8.459 7.105 1.00 0.00 C ATOM 693 CE LYS A 41 24.378 9.966 7.365 1.00 0.00 C ATOM 694 NZ LYS A 41 23.437 10.338 8.445 1.00 0.00 N ATOM 0 H LYS A 41 24.765 6.311 3.739 1.00 0.00 H new ATOM 0 HA LYS A 41 22.107 6.176 5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 41 24.022 8.423 4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 41 22.302 8.746 4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 41 22.206 8.739 6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.706 7.059 6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 41 24.486 7.920 8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 41 25.136 8.175 6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 41 25.391 10.259 7.640 1.00 0.00 H new ATOM 0 HE3 LYS A 41 24.126 10.507 6.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 23.785 11.189 8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 22.500 10.531 8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 23.364 9.556 9.126 1.00 0.00 H new ATOM 707 N ASN A 42 21.047 5.934 2.927 1.00 0.00 N ATOM 708 CA ASN A 42 20.321 5.840 1.672 1.00 0.00 C ATOM 709 C ASN A 42 18.818 5.829 1.957 1.00 0.00 C ATOM 710 O ASN A 42 18.076 6.653 1.425 1.00 0.00 O ATOM 711 CB ASN A 42 20.671 4.549 0.928 1.00 0.00 C ATOM 712 CG ASN A 42 20.150 4.587 -0.510 1.00 0.00 C ATOM 713 OD1 ASN A 42 18.958 4.640 -0.765 1.00 0.00 O ATOM 714 ND2 ASN A 42 21.108 4.555 -1.433 1.00 0.00 N ATOM 0 H ASN A 42 20.633 5.412 3.699 1.00 0.00 H new ATOM 0 HA ASN A 42 20.598 6.697 1.057 1.00 0.00 H new ATOM 0 HB2 ASN A 42 21.752 4.409 0.923 1.00 0.00 H new ATOM 0 HB3 ASN A 42 20.241 3.695 1.452 1.00 0.00 H new ATOM 0 HD21 ASN A 42 20.863 4.575 -2.423 1.00 0.00 H new ATOM 0 HD22 ASN A 42 22.087 4.511 -1.150 1.00 0.00 H new ATOM 721 N THR A 43 18.414 4.886 2.795 1.00 0.00 N ATOM 722 CA THR A 43 17.012 4.757 3.157 1.00 0.00 C ATOM 723 C THR A 43 16.877 4.242 4.591 1.00 0.00 C ATOM 724 O THR A 43 17.302 3.128 4.897 1.00 0.00 O ATOM 725 CB THR A 43 16.337 3.856 2.121 1.00 0.00 C ATOM 726 OG1 THR A 43 14.969 3.836 2.518 1.00 0.00 O ATOM 727 CG2 THR A 43 16.780 2.396 2.238 1.00 0.00 C ATOM 0 H THR A 43 19.032 4.204 3.234 1.00 0.00 H new ATOM 0 HA THR A 43 16.509 5.724 3.144 1.00 0.00 H new ATOM 0 HB THR A 43 16.560 4.224 1.119 1.00 0.00 H new ATOM 0 HG1 THR A 43 14.457 3.275 1.899 1.00 0.00 H new ATOM 0 HG21 THR A 43 16.272 1.800 1.480 1.00 0.00 H new ATOM 0 HG22 THR A 43 17.858 2.330 2.089 1.00 0.00 H new ATOM 0 HG23 THR A 43 16.527 2.017 3.228 1.00 0.00 H new ATOM 735 N LYS A 44 16.284 5.076 5.433 1.00 0.00 N ATOM 736 CA LYS A 44 16.088 4.718 6.827 1.00 0.00 C ATOM 737 C LYS A 44 14.731 5.245 7.298 1.00 0.00 C ATOM 738 O LYS A 44 14.650 5.961 8.295 1.00 0.00 O ATOM 739 CB LYS A 44 17.264 5.205 7.676 1.00 0.00 C ATOM 740 CG LYS A 44 17.484 6.709 7.497 1.00 0.00 C ATOM 741 CD LYS A 44 18.817 7.145 8.110 1.00 0.00 C ATOM 742 CE LYS A 44 18.717 8.555 8.694 1.00 0.00 C ATOM 743 NZ LYS A 44 19.657 9.469 8.008 1.00 0.00 N ATOM 0 H LYS A 44 15.933 5.999 5.176 1.00 0.00 H new ATOM 0 HA LYS A 44 16.068 3.634 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 44 17.075 4.984 8.726 1.00 0.00 H new ATOM 0 HB3 LYS A 44 18.168 4.666 7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.469 6.959 6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.667 7.258 7.966 1.00 0.00 H new ATOM 0 HD2 LYS A 44 19.108 6.444 8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 44 19.597 7.117 7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.698 8.927 8.589 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.939 8.530 9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.471 10.447 8.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 20.634 9.211 8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.528 9.392 6.979 1.00 0.00 H new ATOM 756 N LEU A 45 13.698 4.870 6.558 1.00 0.00 N ATOM 757 CA LEU A 45 12.348 5.295 6.888 1.00 0.00 C ATOM 758 C LEU A 45 11.344 4.354 6.220 1.00 0.00 C ATOM 759 O LEU A 45 10.493 4.794 5.449 1.00 0.00 O ATOM 760 CB LEU A 45 12.146 6.768 6.523 1.00 0.00 C ATOM 761 CG LEU A 45 12.569 7.173 5.110 1.00 0.00 C ATOM 762 CD1 LEU A 45 11.347 7.401 4.217 1.00 0.00 C ATOM 763 CD2 LEU A 45 13.492 8.393 5.142 1.00 0.00 C ATOM 0 H LEU A 45 13.768 4.277 5.731 1.00 0.00 H new ATOM 0 HA LEU A 45 12.180 5.230 7.963 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.091 7.012 6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.701 7.378 7.236 1.00 0.00 H new ATOM 0 HG LEU A 45 13.138 6.351 4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.675 7.688 3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.763 6.482 4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.731 8.195 4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.778 8.660 4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.971 9.231 5.604 1.00 0.00 H new ATOM 0 HD23 LEU A 45 14.386 8.158 5.720 1.00 0.00 H new ATOM 775 N VAL A 46 11.476 3.075 6.541 1.00 0.00 N ATOM 776 CA VAL A 46 10.591 2.067 5.981 1.00 0.00 C ATOM 777 C VAL A 46 9.140 2.439 6.294 1.00 0.00 C ATOM 778 O VAL A 46 8.265 2.309 5.440 1.00 0.00 O ATOM 779 CB VAL A 46 10.980 0.682 6.503 1.00 0.00 C ATOM 780 CG1 VAL A 46 12.369 0.279 6.006 1.00 0.00 C ATOM 781 CG2 VAL A 46 10.908 0.632 8.030 1.00 0.00 C ATOM 0 H VAL A 46 12.183 2.714 7.182 1.00 0.00 H new ATOM 0 HA VAL A 46 10.690 2.030 4.896 1.00 0.00 H new ATOM 0 HB VAL A 46 10.262 -0.038 6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.621 -0.709 6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.373 0.255 4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 46 13.105 1.003 6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.189 -0.363 8.375 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.592 1.369 8.451 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.891 0.854 8.354 1.00 0.00 H new ATOM 791 N LYS A 47 8.931 2.894 7.521 1.00 0.00 N ATOM 792 CA LYS A 47 7.601 3.285 7.957 1.00 0.00 C ATOM 793 C LYS A 47 6.647 2.100 7.796 1.00 0.00 C ATOM 794 O LYS A 47 6.961 1.136 7.100 1.00 0.00 O ATOM 795 CB LYS A 47 7.145 4.546 7.220 1.00 0.00 C ATOM 796 CG LYS A 47 7.348 5.791 8.086 1.00 0.00 C ATOM 797 CD LYS A 47 6.298 5.863 9.197 1.00 0.00 C ATOM 798 CE LYS A 47 5.284 6.975 8.921 1.00 0.00 C ATOM 799 NZ LYS A 47 3.994 6.675 9.580 1.00 0.00 N ATOM 0 H LYS A 47 9.660 3.001 8.226 1.00 0.00 H new ATOM 0 HA LYS A 47 7.609 3.547 9.015 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.704 4.650 6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.093 4.454 6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.346 5.775 8.524 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.287 6.685 7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.782 4.906 9.277 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.788 6.042 10.154 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.672 7.927 9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.134 7.080 7.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.317 7.440 9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.618 5.777 9.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.139 6.597 10.607 1.00 0.00 H new ATOM 812 N LYS A 48 5.501 2.211 8.453 1.00 0.00 N ATOM 813 CA LYS A 48 4.500 1.160 8.391 1.00 0.00 C ATOM 814 C LYS A 48 3.536 1.447 7.238 1.00 0.00 C ATOM 815 O LYS A 48 2.485 2.054 7.439 1.00 0.00 O ATOM 816 CB LYS A 48 3.807 1.000 9.746 1.00 0.00 C ATOM 817 CG LYS A 48 3.494 2.364 10.366 1.00 0.00 C ATOM 818 CD LYS A 48 2.493 2.227 11.515 1.00 0.00 C ATOM 819 CE LYS A 48 1.123 1.782 10.998 1.00 0.00 C ATOM 820 NZ LYS A 48 0.594 0.673 11.823 1.00 0.00 N ATOM 0 H LYS A 48 5.244 3.012 9.030 1.00 0.00 H new ATOM 0 HA LYS A 48 4.970 0.199 8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.885 0.433 9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.445 0.428 10.420 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.413 2.821 10.732 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.089 3.030 9.604 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.864 1.504 12.241 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.398 3.180 12.035 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.429 2.622 11.019 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.206 1.463 9.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.336 0.383 11.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.249 -0.134 11.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.497 0.990 12.809 1.00 0.00 H new ATOM 833 N ILE A 49 3.928 0.997 6.055 1.00 0.00 N ATOM 834 CA ILE A 49 3.112 1.198 4.870 1.00 0.00 C ATOM 835 C ILE A 49 1.692 0.698 5.143 1.00 0.00 C ATOM 836 O ILE A 49 1.417 0.151 6.209 1.00 0.00 O ATOM 837 CB ILE A 49 3.769 0.547 3.651 1.00 0.00 C ATOM 838 CG1 ILE A 49 3.869 -0.969 3.825 1.00 0.00 C ATOM 839 CG2 ILE A 49 5.130 1.182 3.357 1.00 0.00 C ATOM 840 CD1 ILE A 49 2.830 -1.690 2.965 1.00 0.00 C ATOM 0 H ILE A 49 4.800 0.494 5.892 1.00 0.00 H new ATOM 0 HA ILE A 49 3.037 2.260 4.635 1.00 0.00 H new ATOM 0 HB ILE A 49 3.135 0.729 2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.869 -1.305 3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.722 -1.229 4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.575 0.701 2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.000 2.246 3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.786 1.052 4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.923 -2.767 3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.830 -1.370 3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.995 -1.448 1.915 1.00 0.00 H new ATOM 852 N ASP A 50 0.827 0.905 4.160 1.00 0.00 N ATOM 853 CA ASP A 50 -0.557 0.482 4.281 1.00 0.00 C ATOM 854 C ASP A 50 -1.241 0.594 2.917 1.00 0.00 C ATOM 855 O ASP A 50 -1.826 1.627 2.595 1.00 0.00 O ATOM 856 CB ASP A 50 -1.320 1.370 5.267 1.00 0.00 C ATOM 857 CG ASP A 50 -2.603 0.756 5.831 1.00 0.00 C ATOM 858 OD1 ASP A 50 -3.481 0.308 5.079 1.00 0.00 O ATOM 859 OD2 ASP A 50 -2.683 0.748 7.119 1.00 0.00 O ATOM 0 H ASP A 50 1.059 1.360 3.277 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.565 -0.547 4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.658 1.618 6.097 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.571 2.307 4.770 1.00 0.00 H new ATOM 865 N HIS A 51 -1.145 -0.483 2.152 1.00 0.00 N ATOM 866 CA HIS A 51 -1.747 -0.519 0.831 1.00 0.00 C ATOM 867 C HIS A 51 -2.933 -1.485 0.833 1.00 0.00 C ATOM 868 O HIS A 51 -4.072 -1.076 0.612 1.00 0.00 O ATOM 869 CB HIS A 51 -0.703 -0.865 -0.233 1.00 0.00 C ATOM 870 CG HIS A 51 -1.075 -0.421 -1.627 1.00 0.00 C ATOM 871 ND1 HIS A 51 -1.631 -1.275 -2.563 1.00 0.00 N ATOM 872 CD2 HIS A 51 -0.967 0.796 -2.233 1.00 0.00 C ATOM 873 CE1 HIS A 51 -1.843 -0.593 -3.679 1.00 0.00 C ATOM 874 NE2 HIS A 51 -1.430 0.691 -3.473 1.00 0.00 N ATOM 0 H HIS A 51 -0.659 -1.338 2.422 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.128 0.469 0.575 1.00 0.00 H new ATOM 0 HB2 HIS A 51 0.247 -0.406 0.042 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -0.546 -1.944 -0.236 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -0.572 1.694 -1.781 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -2.268 -0.985 -4.591 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -1.470 1.445 -4.158 1.00 0.00 H new ATOM 882 N ALA A 52 -2.625 -2.749 1.085 1.00 0.00 N ATOM 883 CA ALA A 52 -3.652 -3.777 1.119 1.00 0.00 C ATOM 884 C ALA A 52 -3.019 -5.110 1.523 1.00 0.00 C ATOM 885 O ALA A 52 -2.525 -5.850 0.673 1.00 0.00 O ATOM 886 CB ALA A 52 -4.347 -3.850 -0.242 1.00 0.00 C ATOM 0 H ALA A 52 -1.679 -3.085 1.268 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.413 -3.535 1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.117 -4.621 -0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.805 -2.887 -0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.615 -4.094 -1.012 1.00 0.00 H new ATOM 892 N LYS A 53 -3.055 -5.377 2.820 1.00 0.00 N ATOM 893 CA LYS A 53 -2.491 -6.609 3.347 1.00 0.00 C ATOM 894 C LYS A 53 -3.617 -7.481 3.905 1.00 0.00 C ATOM 895 O LYS A 53 -4.157 -8.332 3.200 1.00 0.00 O ATOM 896 CB LYS A 53 -1.389 -6.302 4.362 1.00 0.00 C ATOM 897 CG LYS A 53 -0.022 -6.749 3.840 1.00 0.00 C ATOM 898 CD LYS A 53 0.734 -5.578 3.209 1.00 0.00 C ATOM 899 CE LYS A 53 2.225 -5.893 3.082 1.00 0.00 C ATOM 900 NZ LYS A 53 2.965 -5.386 4.260 1.00 0.00 N ATOM 0 H LYS A 53 -3.466 -4.762 3.522 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.010 -7.179 2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.370 -5.232 4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.606 -6.807 5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.565 -7.167 4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.152 -7.542 3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.319 -5.361 2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.598 -4.683 3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.369 -6.970 2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.622 -5.440 2.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.608 -4.624 3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.291 -5.017 4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.516 -6.160 4.683 1.00 0.00 H new ATOM 913 N VAL A 54 -3.938 -7.240 5.168 1.00 0.00 N ATOM 914 CA VAL A 54 -4.989 -7.994 5.830 1.00 0.00 C ATOM 915 C VAL A 54 -6.158 -7.059 6.148 1.00 0.00 C ATOM 916 O VAL A 54 -6.445 -6.793 7.314 1.00 0.00 O ATOM 917 CB VAL A 54 -4.430 -8.695 7.070 1.00 0.00 C ATOM 918 CG1 VAL A 54 -5.453 -9.669 7.657 1.00 0.00 C ATOM 919 CG2 VAL A 54 -3.115 -9.408 6.750 1.00 0.00 C ATOM 0 H VAL A 54 -3.489 -6.533 5.750 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.368 -8.778 5.174 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.224 -7.933 7.822 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.030 -10.154 8.537 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.354 -9.124 7.940 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.705 -10.424 6.913 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.739 -9.898 7.648 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.285 -10.154 5.974 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.383 -8.681 6.400 1.00 0.00 H new ATOM 929 N ARG A 55 -6.801 -6.586 5.090 1.00 0.00 N ATOM 930 CA ARG A 55 -7.932 -5.687 5.242 1.00 0.00 C ATOM 931 C ARG A 55 -9.240 -6.480 5.278 1.00 0.00 C ATOM 932 O ARG A 55 -10.157 -6.206 4.507 1.00 0.00 O ATOM 933 CB ARG A 55 -7.989 -4.675 4.096 1.00 0.00 C ATOM 934 CG ARG A 55 -7.946 -5.380 2.739 1.00 0.00 C ATOM 935 CD ARG A 55 -8.688 -4.568 1.676 1.00 0.00 C ATOM 936 NE ARG A 55 -7.726 -3.758 0.895 1.00 0.00 N ATOM 937 CZ ARG A 55 -8.049 -2.622 0.240 1.00 0.00 C ATOM 938 NH1 ARG A 55 -9.315 -2.153 0.266 1.00 0.00 N ATOM 939 NH2 ARG A 55 -7.109 -1.978 -0.426 1.00 0.00 N ATOM 0 H ARG A 55 -6.560 -6.809 4.124 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.803 -5.149 6.181 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.901 -4.083 4.174 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.152 -3.982 4.176 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.910 -5.525 2.433 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.395 -6.370 2.825 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.236 -5.237 1.012 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.423 -3.918 2.151 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.759 -4.078 0.849 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.035 -2.657 0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.551 -1.294 -0.231 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.155 -2.340 -0.441 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.336 -1.119 -0.926 1.00 0.00 H new ATOM 952 N LYS A 56 -9.283 -7.447 6.183 1.00 0.00 N ATOM 953 CA LYS A 56 -10.463 -8.282 6.330 1.00 0.00 C ATOM 954 C LYS A 56 -11.688 -7.392 6.553 1.00 0.00 C ATOM 955 O LYS A 56 -11.671 -6.511 7.411 1.00 0.00 O ATOM 956 CB LYS A 56 -10.251 -9.322 7.431 1.00 0.00 C ATOM 957 CG LYS A 56 -9.157 -10.319 7.040 1.00 0.00 C ATOM 958 CD LYS A 56 -9.142 -11.517 7.991 1.00 0.00 C ATOM 959 CE LYS A 56 -7.812 -11.604 8.742 1.00 0.00 C ATOM 960 NZ LYS A 56 -7.694 -12.903 9.441 1.00 0.00 N ATOM 0 H LYS A 56 -8.520 -7.671 6.822 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.642 -8.850 5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.978 -8.822 8.360 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.184 -9.855 7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.321 -10.663 6.019 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.186 -9.824 7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.962 -11.430 8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.306 -12.435 7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.985 -11.484 8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.741 -10.789 9.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.785 -12.945 9.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.473 -13.002 10.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.740 -13.676 8.747 1.00 0.00 H new ATOM 973 N HIS A 57 -12.721 -7.652 5.765 1.00 0.00 N ATOM 974 CA HIS A 57 -13.951 -6.886 5.866 1.00 0.00 C ATOM 975 C HIS A 57 -14.865 -7.519 6.917 1.00 0.00 C ATOM 976 O HIS A 57 -15.979 -7.938 6.604 1.00 0.00 O ATOM 977 CB HIS A 57 -14.623 -6.754 4.498 1.00 0.00 C ATOM 978 CG HIS A 57 -14.383 -5.425 3.822 1.00 0.00 C ATOM 979 ND1 HIS A 57 -13.623 -5.295 2.673 1.00 0.00 N ATOM 980 CD2 HIS A 57 -14.812 -4.171 4.144 1.00 0.00 C ATOM 981 CE1 HIS A 57 -13.601 -4.016 2.328 1.00 0.00 C ATOM 982 NE2 HIS A 57 -14.338 -3.321 3.241 1.00 0.00 N ATOM 0 H HIS A 57 -12.731 -8.383 5.054 1.00 0.00 H new ATOM 0 HA HIS A 57 -13.726 -5.871 6.195 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -14.261 -7.551 3.848 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -15.697 -6.901 4.616 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -15.432 -3.913 4.990 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -13.089 -3.597 1.474 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -14.499 -2.314 3.232 1.00 0.00 H new ATOM 990 N GLN A 58 -14.361 -7.568 8.141 1.00 0.00 N ATOM 991 CA GLN A 58 -15.118 -8.143 9.240 1.00 0.00 C ATOM 992 C GLN A 58 -15.849 -9.406 8.778 1.00 0.00 C ATOM 993 O GLN A 58 -17.002 -9.341 8.355 1.00 0.00 O ATOM 994 CB GLN A 58 -16.100 -7.124 9.821 1.00 0.00 C ATOM 995 CG GLN A 58 -15.577 -6.549 11.139 1.00 0.00 C ATOM 996 CD GLN A 58 -15.601 -5.019 11.118 1.00 0.00 C ATOM 997 OE1 GLN A 58 -14.797 -4.370 10.469 1.00 0.00 O ATOM 998 NE2 GLN A 58 -16.564 -4.483 11.861 1.00 0.00 N ATOM 0 H GLN A 58 -13.437 -7.219 8.396 1.00 0.00 H new ATOM 0 HA GLN A 58 -14.420 -8.419 10.031 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.258 -6.317 9.105 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.067 -7.599 9.985 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -16.186 -6.914 11.966 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.559 -6.898 11.314 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -17.203 -5.085 12.379 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.664 -3.469 11.913 1.00 0.00 H new ATOM 1007 N ARG A 59 -15.147 -10.525 8.874 1.00 0.00 N ATOM 1008 CA ARG A 59 -15.714 -11.801 8.471 1.00 0.00 C ATOM 1009 C ARG A 59 -16.648 -12.334 9.559 1.00 0.00 C ATOM 1010 O ARG A 59 -16.191 -12.889 10.558 1.00 0.00 O ATOM 1011 CB ARG A 59 -14.615 -12.832 8.202 1.00 0.00 C ATOM 1012 CG ARG A 59 -14.438 -13.065 6.701 1.00 0.00 C ATOM 1013 CD ARG A 59 -12.983 -12.851 6.280 1.00 0.00 C ATOM 1014 NE ARG A 59 -12.912 -12.571 4.829 1.00 0.00 N ATOM 1015 CZ ARG A 59 -11.805 -12.751 4.077 1.00 0.00 C ATOM 1016 NH1 ARG A 59 -10.666 -13.214 4.634 1.00 0.00 N ATOM 1017 NH2 ARG A 59 -11.854 -12.468 2.788 1.00 0.00 N ATOM 0 H ARG A 59 -14.191 -10.575 9.225 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.277 -11.638 7.552 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.675 -12.488 8.634 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.866 -13.773 8.693 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -14.748 -14.079 6.448 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.085 -12.386 6.145 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -12.552 -12.021 6.840 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -12.393 -13.736 6.517 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.752 -12.220 4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.637 -13.431 5.630 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.834 -13.347 4.059 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.719 -12.119 2.375 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.027 -12.598 2.205 1.00 0.00 H new ATOM 1030 N LYS A 60 -17.939 -12.147 9.330 1.00 0.00 N ATOM 1031 CA LYS A 60 -18.942 -12.602 10.278 1.00 0.00 C ATOM 1032 C LYS A 60 -20.036 -13.366 9.530 1.00 0.00 C ATOM 1033 O LYS A 60 -20.189 -13.212 8.319 1.00 0.00 O ATOM 1034 CB LYS A 60 -19.468 -11.428 11.106 1.00 0.00 C ATOM 1035 CG LYS A 60 -19.794 -10.229 10.213 1.00 0.00 C ATOM 1036 CD LYS A 60 -21.162 -10.396 9.549 1.00 0.00 C ATOM 1037 CE LYS A 60 -22.187 -9.437 10.158 1.00 0.00 C ATOM 1038 NZ LYS A 60 -22.606 -8.425 9.162 1.00 0.00 N ATOM 0 H LYS A 60 -18.314 -11.686 8.501 1.00 0.00 H new ATOM 0 HA LYS A 60 -18.502 -13.296 10.994 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -20.361 -11.734 11.650 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -18.724 -11.141 11.849 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.783 -9.315 10.807 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -19.025 -10.121 9.448 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -21.076 -10.210 8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -21.505 -11.424 9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -23.056 -9.996 10.505 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -21.758 -8.942 11.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -23.302 -7.782 9.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -21.777 -7.880 8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -23.034 -8.901 8.343 1.00 0.00 H new ATOM 1051 N PHE A 61 -20.770 -14.173 10.282 1.00 0.00 N ATOM 1052 CA PHE A 61 -21.845 -14.961 9.705 1.00 0.00 C ATOM 1053 C PHE A 61 -21.324 -15.863 8.583 1.00 0.00 C ATOM 1054 O PHE A 61 -20.266 -15.602 8.014 1.00 0.00 O ATOM 1055 CB PHE A 61 -22.859 -13.975 9.121 1.00 0.00 C ATOM 1056 CG PHE A 61 -24.276 -14.538 9.000 1.00 0.00 C ATOM 1057 CD1 PHE A 61 -24.935 -14.966 10.111 1.00 0.00 C ATOM 1058 CD2 PHE A 61 -24.878 -14.611 7.782 1.00 0.00 C ATOM 1059 CE1 PHE A 61 -26.251 -15.489 9.998 1.00 0.00 C ATOM 1060 CE2 PHE A 61 -26.193 -15.134 7.670 1.00 0.00 C ATOM 1061 CZ PHE A 61 -26.852 -15.561 8.781 1.00 0.00 C ATOM 0 H PHE A 61 -20.641 -14.298 11.286 1.00 0.00 H new ATOM 0 HA PHE A 61 -22.290 -15.598 10.469 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -22.886 -13.083 9.748 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -22.518 -13.661 8.134 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -24.458 -14.908 11.078 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -24.355 -14.271 6.900 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -26.774 -15.830 10.879 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -26.670 -15.193 6.703 1.00 0.00 H new ATOM 0 HZ PHE A 61 -27.853 -15.957 8.696 1.00 0.00 H new ATOM 1071 N LEU A 62 -22.092 -16.904 8.300 1.00 0.00 N ATOM 1072 CA LEU A 62 -21.721 -17.846 7.257 1.00 0.00 C ATOM 1073 C LEU A 62 -22.944 -18.680 6.870 1.00 0.00 C ATOM 1074 O LEU A 62 -24.023 -18.504 7.434 1.00 0.00 O ATOM 1075 CB LEU A 62 -20.518 -18.683 7.694 1.00 0.00 C ATOM 1076 CG LEU A 62 -20.778 -19.698 8.810 1.00 0.00 C ATOM 1077 CD1 LEU A 62 -20.504 -21.124 8.328 1.00 0.00 C ATOM 1078 CD2 LEU A 62 -19.972 -19.352 10.064 1.00 0.00 C ATOM 0 H LEU A 62 -22.970 -17.117 8.774 1.00 0.00 H new ATOM 0 HA LEU A 62 -21.401 -17.315 6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -20.138 -19.218 6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -19.729 -18.006 8.022 1.00 0.00 H new ATOM 0 HG LEU A 62 -21.833 -19.646 9.081 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -20.696 -21.826 9.140 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -21.157 -21.355 7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -19.464 -21.208 8.014 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -20.175 -20.088 10.842 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -18.908 -19.359 9.826 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -20.258 -18.362 10.419 1.00 0.00 H new ATOM 1090 N GLN A 63 -22.734 -19.570 5.912 1.00 0.00 N ATOM 1091 CA GLN A 63 -23.806 -20.432 5.443 1.00 0.00 C ATOM 1092 C GLN A 63 -24.335 -21.293 6.592 1.00 0.00 C ATOM 1093 O GLN A 63 -23.621 -21.551 7.559 1.00 0.00 O ATOM 1094 CB GLN A 63 -23.338 -21.304 4.276 1.00 0.00 C ATOM 1095 CG GLN A 63 -22.264 -22.296 4.728 1.00 0.00 C ATOM 1096 CD GLN A 63 -20.905 -21.950 4.116 1.00 0.00 C ATOM 1097 OE1 GLN A 63 -20.337 -20.897 4.357 1.00 0.00 O ATOM 1098 NE2 GLN A 63 -20.419 -22.891 3.312 1.00 0.00 N ATOM 0 H GLN A 63 -21.837 -19.713 5.447 1.00 0.00 H new ATOM 0 HA GLN A 63 -24.619 -19.803 5.081 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -24.187 -21.846 3.860 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -22.943 -20.672 3.481 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -22.190 -22.287 5.815 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -22.551 -23.306 4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -20.947 -23.749 3.154 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -19.518 -22.754 2.853 1.00 0.00 H new ATOM 1107 N ALA A 64 -25.584 -21.712 6.448 1.00 0.00 N ATOM 1108 CA ALA A 64 -26.218 -22.538 7.462 1.00 0.00 C ATOM 1109 C ALA A 64 -26.786 -21.640 8.563 1.00 0.00 C ATOM 1110 O ALA A 64 -26.048 -21.171 9.428 1.00 0.00 O ATOM 1111 CB ALA A 64 -25.206 -23.552 8.001 1.00 0.00 C ATOM 0 H ALA A 64 -26.174 -21.495 5.645 1.00 0.00 H new ATOM 0 HA ALA A 64 -27.048 -23.101 7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -25.681 -24.171 8.761 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -24.855 -24.184 7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -24.360 -23.023 8.440 1.00 0.00 H new ATOM 1117 N ILE A 65 -28.092 -21.428 8.495 1.00 0.00 N ATOM 1118 CA ILE A 65 -28.767 -20.595 9.475 1.00 0.00 C ATOM 1119 C ILE A 65 -29.511 -21.488 10.471 1.00 0.00 C ATOM 1120 O ILE A 65 -28.888 -22.174 11.280 1.00 0.00 O ATOM 1121 CB ILE A 65 -29.665 -19.570 8.779 1.00 0.00 C ATOM 1122 CG1 ILE A 65 -30.459 -20.218 7.643 1.00 0.00 C ATOM 1123 CG2 ILE A 65 -28.852 -18.367 8.297 1.00 0.00 C ATOM 1124 CD1 ILE A 65 -31.802 -19.513 7.442 1.00 0.00 C ATOM 0 H ILE A 65 -28.701 -21.819 7.776 1.00 0.00 H new ATOM 0 HA ILE A 65 -28.042 -20.015 10.046 1.00 0.00 H new ATOM 0 HB ILE A 65 -30.388 -19.200 9.506 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -29.880 -20.176 6.720 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -30.627 -21.272 7.867 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -29.514 -17.654 7.806 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -28.371 -17.888 9.150 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -28.091 -18.701 7.591 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -32.347 -19.993 6.629 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -32.388 -19.578 8.359 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -31.630 -18.466 7.195 1.00 0.00 H new ATOM 1136 N HIS A 66 -30.832 -21.450 10.378 1.00 0.00 N ATOM 1137 CA HIS A 66 -31.667 -22.247 11.261 1.00 0.00 C ATOM 1138 C HIS A 66 -32.196 -23.468 10.504 1.00 0.00 C ATOM 1139 O HIS A 66 -33.362 -23.504 10.115 1.00 0.00 O ATOM 1140 CB HIS A 66 -32.784 -21.396 11.867 1.00 0.00 C ATOM 1141 CG HIS A 66 -32.848 -21.449 13.375 1.00 0.00 C ATOM 1142 ND1 HIS A 66 -32.605 -20.346 14.175 1.00 0.00 N ATOM 1143 CD2 HIS A 66 -33.129 -22.482 14.220 1.00 0.00 C ATOM 1144 CE1 HIS A 66 -32.737 -20.710 15.442 1.00 0.00 C ATOM 1145 NE2 HIS A 66 -33.060 -22.035 15.467 1.00 0.00 N ATOM 0 H HIS A 66 -31.345 -20.880 9.705 1.00 0.00 H new ATOM 0 HA HIS A 66 -31.072 -22.612 12.098 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -32.647 -20.360 11.556 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -33.740 -21.727 11.461 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -33.367 -23.493 13.924 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -32.611 -20.070 16.303 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -33.222 -22.591 16.307 1.00 0.00 H new ATOM 1153 N GLN A 67 -31.312 -24.437 10.319 1.00 0.00 N ATOM 1154 CA GLN A 67 -31.675 -25.656 9.616 1.00 0.00 C ATOM 1155 C GLN A 67 -32.430 -25.321 8.328 1.00 0.00 C ATOM 1156 O GLN A 67 -32.541 -24.154 7.955 1.00 0.00 O ATOM 1157 CB GLN A 67 -32.502 -26.580 10.512 1.00 0.00 C ATOM 1158 CG GLN A 67 -31.873 -26.704 11.901 1.00 0.00 C ATOM 1159 CD GLN A 67 -31.363 -28.125 12.147 1.00 0.00 C ATOM 1160 OE1 GLN A 67 -31.036 -28.862 11.232 1.00 0.00 O ATOM 1161 NE2 GLN A 67 -31.313 -28.468 13.431 1.00 0.00 N ATOM 0 H GLN A 67 -30.346 -24.403 10.643 1.00 0.00 H new ATOM 0 HA GLN A 67 -30.760 -26.185 9.350 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -33.517 -26.193 10.602 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -32.577 -27.566 10.053 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -31.049 -25.997 11.995 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -32.608 -26.441 12.662 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -31.602 -27.803 14.148 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -30.986 -29.396 13.699 1.00 0.00 H new ATOM 1170 N LEU A 68 -32.928 -26.366 7.684 1.00 0.00 N ATOM 1171 CA LEU A 68 -33.669 -26.197 6.445 1.00 0.00 C ATOM 1172 C LEU A 68 -34.961 -25.429 6.730 1.00 0.00 C ATOM 1173 O LEU A 68 -35.327 -25.229 7.887 1.00 0.00 O ATOM 1174 CB LEU A 68 -33.895 -27.550 5.767 1.00 0.00 C ATOM 1175 CG LEU A 68 -32.643 -28.251 5.236 1.00 0.00 C ATOM 1176 CD1 LEU A 68 -32.612 -29.719 5.667 1.00 0.00 C ATOM 1177 CD2 LEU A 68 -32.530 -28.097 3.718 1.00 0.00 C ATOM 0 H LEU A 68 -32.833 -27.332 7.996 1.00 0.00 H new ATOM 0 HA LEU A 68 -33.094 -25.603 5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -34.384 -28.214 6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -34.587 -27.407 4.937 1.00 0.00 H new ATOM 0 HG LEU A 68 -31.770 -27.768 5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -31.712 -30.194 5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -32.611 -29.779 6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -33.491 -30.231 5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -31.632 -28.604 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -33.406 -28.538 3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -32.472 -27.039 3.463 1.00 0.00 H new ATOM 1189 N ARG A 69 -35.617 -25.019 5.654 1.00 0.00 N ATOM 1190 CA ARG A 69 -36.861 -24.277 5.773 1.00 0.00 C ATOM 1191 C ARG A 69 -38.044 -25.240 5.896 1.00 0.00 C ATOM 1192 O ARG A 69 -37.989 -26.363 5.397 1.00 0.00 O ATOM 1193 CB ARG A 69 -37.077 -23.366 4.564 1.00 0.00 C ATOM 1194 CG ARG A 69 -36.564 -21.952 4.844 1.00 0.00 C ATOM 1195 CD ARG A 69 -37.717 -21.010 5.197 1.00 0.00 C ATOM 1196 NE ARG A 69 -37.570 -20.532 6.590 1.00 0.00 N ATOM 1197 CZ ARG A 69 -36.840 -19.454 6.947 1.00 0.00 C ATOM 1198 NH1 ARG A 69 -36.183 -18.732 6.015 1.00 0.00 N ATOM 1199 NH2 ARG A 69 -36.779 -19.116 8.222 1.00 0.00 N ATOM 0 H ARG A 69 -35.310 -25.187 4.696 1.00 0.00 H new ATOM 0 HA ARG A 69 -36.795 -23.661 6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -36.562 -23.779 3.697 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -38.138 -23.329 4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -35.846 -21.977 5.664 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -36.035 -21.573 3.969 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -37.728 -20.162 4.512 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -38.669 -21.527 5.080 1.00 0.00 H new ATOM 0 HE ARG A 69 -38.050 -21.049 7.326 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -36.236 -18.999 5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -35.634 -17.919 6.294 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -37.279 -19.667 8.920 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -36.232 -18.304 8.509 1.00 0.00 H new ATOM 1212 N SER A 70 -39.086 -24.765 6.562 1.00 0.00 N ATOM 1213 CA SER A 70 -40.280 -25.570 6.756 1.00 0.00 C ATOM 1214 C SER A 70 -39.914 -26.897 7.423 1.00 0.00 C ATOM 1215 O SER A 70 -38.740 -27.256 7.495 1.00 0.00 O ATOM 1216 CB SER A 70 -40.996 -25.823 5.427 1.00 0.00 C ATOM 1217 OG SER A 70 -41.133 -24.630 4.659 1.00 0.00 O ATOM 0 H SER A 70 -39.128 -23.833 6.974 1.00 0.00 H new ATOM 0 HA SER A 70 -40.961 -25.020 7.406 1.00 0.00 H new ATOM 0 HB2 SER A 70 -40.441 -26.563 4.851 1.00 0.00 H new ATOM 0 HB3 SER A 70 -41.982 -26.245 5.621 1.00 0.00 H new ATOM 0 HG SER A 70 -41.593 -24.833 3.818 1.00 0.00 H new ATOM 1223 N VAL A 71 -40.941 -27.590 7.893 1.00 0.00 N ATOM 1224 CA VAL A 71 -40.742 -28.870 8.551 1.00 0.00 C ATOM 1225 C VAL A 71 -41.893 -29.810 8.187 1.00 0.00 C ATOM 1226 O VAL A 71 -42.113 -30.817 8.859 1.00 0.00 O ATOM 1227 CB VAL A 71 -40.592 -28.664 10.060 1.00 0.00 C ATOM 1228 CG1 VAL A 71 -41.925 -28.259 10.693 1.00 0.00 C ATOM 1229 CG2 VAL A 71 -40.026 -29.918 10.730 1.00 0.00 C ATOM 0 H VAL A 71 -41.914 -27.289 7.831 1.00 0.00 H new ATOM 0 HA VAL A 71 -39.820 -29.338 8.207 1.00 0.00 H new ATOM 0 HB VAL A 71 -39.885 -27.850 10.219 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -41.791 -28.119 11.766 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -42.272 -27.327 10.246 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -42.663 -29.042 10.519 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -39.929 -29.746 11.802 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -40.699 -30.758 10.557 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -39.046 -30.145 10.309 1.00 0.00 H new ATOM 1239 N LYS A 72 -42.596 -29.448 7.124 1.00 0.00 N ATOM 1240 CA LYS A 72 -43.719 -30.247 6.663 1.00 0.00 C ATOM 1241 C LYS A 72 -43.211 -31.331 5.710 1.00 0.00 C ATOM 1242 O LYS A 72 -43.666 -31.424 4.571 1.00 0.00 O ATOM 1243 CB LYS A 72 -44.800 -29.351 6.055 1.00 0.00 C ATOM 1244 CG LYS A 72 -45.938 -29.112 7.049 1.00 0.00 C ATOM 1245 CD LYS A 72 -47.174 -28.551 6.344 1.00 0.00 C ATOM 1246 CE LYS A 72 -47.790 -27.404 7.147 1.00 0.00 C ATOM 1247 NZ LYS A 72 -48.909 -26.789 6.398 1.00 0.00 N ATOM 0 H LYS A 72 -42.410 -28.613 6.569 1.00 0.00 H new ATOM 0 HA LYS A 72 -44.194 -30.756 7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -44.363 -28.397 5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -45.194 -29.814 5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -46.193 -30.047 7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -45.610 -28.418 7.823 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -46.901 -28.198 5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -47.911 -29.343 6.210 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -48.148 -27.776 8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -47.030 -26.652 7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -49.316 -26.012 6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -48.558 -26.417 5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -49.641 -27.505 6.217 1.00 0.00 H new ATOM 1260 N MET A 73 -42.274 -32.123 6.211 1.00 0.00 N ATOM 1261 CA MET A 73 -41.699 -33.196 5.419 1.00 0.00 C ATOM 1262 C MET A 73 -42.780 -34.175 4.955 1.00 0.00 C ATOM 1263 O MET A 73 -43.940 -34.053 5.344 1.00 0.00 O ATOM 1264 CB MET A 73 -40.656 -33.944 6.252 1.00 0.00 C ATOM 1265 CG MET A 73 -39.305 -33.227 6.212 1.00 0.00 C ATOM 1266 SD MET A 73 -37.990 -34.414 5.998 1.00 0.00 S ATOM 1267 CE MET A 73 -36.648 -33.316 5.571 1.00 0.00 C ATOM 0 H MET A 73 -41.899 -32.043 7.156 1.00 0.00 H new ATOM 0 HA MET A 73 -41.228 -32.760 4.538 1.00 0.00 H new ATOM 0 HB2 MET A 73 -40.999 -34.024 7.284 1.00 0.00 H new ATOM 0 HB3 MET A 73 -40.544 -34.960 5.874 1.00 0.00 H new ATOM 0 HG2 MET A 73 -39.291 -32.505 5.395 1.00 0.00 H new ATOM 0 HG3 MET A 73 -39.154 -32.667 7.135 1.00 0.00 H new ATOM 0 HE1 MET A 73 -35.742 -33.898 5.402 1.00 0.00 H new ATOM 0 HE2 MET A 73 -36.901 -32.767 4.664 1.00 0.00 H new ATOM 0 HE3 MET A 73 -36.481 -32.612 6.386 1.00 0.00 H new ATOM 1277 N GLU A 74 -42.360 -35.124 4.131 1.00 0.00 N ATOM 1278 CA GLU A 74 -43.278 -36.123 3.611 1.00 0.00 C ATOM 1279 C GLU A 74 -43.178 -37.412 4.429 1.00 0.00 C ATOM 1280 O GLU A 74 -42.189 -38.136 4.335 1.00 0.00 O ATOM 1281 CB GLU A 74 -43.011 -36.392 2.128 1.00 0.00 C ATOM 1282 CG GLU A 74 -43.584 -37.747 1.706 1.00 0.00 C ATOM 1283 CD GLU A 74 -44.218 -37.664 0.315 1.00 0.00 C ATOM 1284 OE1 GLU A 74 -43.988 -36.688 -0.414 1.00 0.00 O ATOM 1285 OE2 GLU A 74 -44.974 -38.661 0.001 1.00 0.00 O ATOM 0 H GLU A 74 -41.397 -35.222 3.811 1.00 0.00 H new ATOM 0 HA GLU A 74 -44.294 -35.738 3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -43.456 -35.601 1.525 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -41.938 -36.372 1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -42.792 -38.496 1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -44.330 -38.072 2.431 1.00 0.00 H new ATOM 1293 N GLN A 75 -44.218 -37.659 5.212 1.00 0.00 N ATOM 1294 CA GLN A 75 -44.261 -38.848 6.046 1.00 0.00 C ATOM 1295 C GLN A 75 -45.678 -39.423 6.079 1.00 0.00 C ATOM 1296 O GLN A 75 -46.601 -38.840 5.513 1.00 0.00 O ATOM 1297 CB GLN A 75 -43.759 -38.545 7.459 1.00 0.00 C ATOM 1298 CG GLN A 75 -42.399 -39.199 7.710 1.00 0.00 C ATOM 1299 CD GLN A 75 -42.211 -39.522 9.194 1.00 0.00 C ATOM 1300 OE1 GLN A 75 -42.571 -38.756 10.073 1.00 0.00 O ATOM 1301 NE2 GLN A 75 -41.629 -40.696 9.423 1.00 0.00 N ATOM 0 H GLN A 75 -45.037 -37.056 5.286 1.00 0.00 H new ATOM 0 HA GLN A 75 -43.597 -39.596 5.613 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -43.679 -37.467 7.597 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -44.481 -38.907 8.191 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -42.317 -40.113 7.122 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -41.604 -38.533 7.376 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -41.352 -41.289 8.641 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -41.460 -41.003 10.381 1.00 0.00 H new ATOM 1310 N ARG A 76 -45.806 -40.560 6.747 1.00 0.00 N ATOM 1311 CA ARG A 76 -47.095 -41.220 6.861 1.00 0.00 C ATOM 1312 C ARG A 76 -47.614 -41.613 5.476 1.00 0.00 C ATOM 1313 O ARG A 76 -47.469 -40.857 4.518 1.00 0.00 O ATOM 1314 CB ARG A 76 -48.120 -40.313 7.544 1.00 0.00 C ATOM 1315 CG ARG A 76 -47.751 -40.075 9.009 1.00 0.00 C ATOM 1316 CD ARG A 76 -49.003 -39.852 9.861 1.00 0.00 C ATOM 1317 NE ARG A 76 -48.800 -38.700 10.767 1.00 0.00 N ATOM 1318 CZ ARG A 76 -48.977 -37.411 10.404 1.00 0.00 C ATOM 1319 NH1 ARG A 76 -49.361 -37.100 9.148 1.00 0.00 N ATOM 1320 NH2 ARG A 76 -48.768 -36.461 11.295 1.00 0.00 N ATOM 0 H ARG A 76 -45.038 -41.041 7.215 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.957 -42.114 7.469 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -48.174 -39.359 7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -49.109 -40.766 7.483 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -47.194 -40.931 9.391 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -47.095 -39.208 9.086 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -49.864 -39.671 9.217 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -49.222 -40.748 10.442 1.00 0.00 H new ATOM 0 HE ARG A 76 -48.508 -38.891 11.726 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -49.520 -37.841 8.465 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -49.493 -36.124 8.882 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -48.477 -36.705 12.242 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -48.897 -35.483 11.037 1.00 0.00 H new ATOM 1333 N LYS A 77 -48.209 -42.796 5.416 1.00 0.00 N ATOM 1334 CA LYS A 77 -48.751 -43.298 4.165 1.00 0.00 C ATOM 1335 C LYS A 77 -49.563 -44.566 4.438 1.00 0.00 C ATOM 1336 O LYS A 77 -49.816 -44.908 5.592 1.00 0.00 O ATOM 1337 CB LYS A 77 -47.634 -43.493 3.138 1.00 0.00 C ATOM 1338 CG LYS A 77 -46.573 -44.465 3.659 1.00 0.00 C ATOM 1339 CD LYS A 77 -45.223 -43.764 3.827 1.00 0.00 C ATOM 1340 CE LYS A 77 -44.444 -44.351 5.006 1.00 0.00 C ATOM 1341 NZ LYS A 77 -44.281 -43.340 6.074 1.00 0.00 N ATOM 0 H LYS A 77 -48.327 -43.421 6.213 1.00 0.00 H new ATOM 0 HA LYS A 77 -49.434 -42.570 3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -48.054 -43.873 2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -47.172 -42.532 2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -46.893 -44.880 4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -46.469 -45.301 2.967 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -44.639 -43.868 2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -45.380 -42.697 3.985 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -44.969 -45.222 5.399 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -43.466 -44.693 4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -43.679 -43.726 6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -43.837 -42.487 5.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -45.213 -43.095 6.466 1.00 0.00 H new ATOM 1354 N LEU A 78 -49.949 -45.228 3.357 1.00 0.00 N ATOM 1355 CA LEU A 78 -50.727 -46.450 3.466 1.00 0.00 C ATOM 1356 C LEU A 78 -51.722 -46.315 4.621 1.00 0.00 C ATOM 1357 O LEU A 78 -52.801 -45.750 4.452 1.00 0.00 O ATOM 1358 CB LEU A 78 -49.804 -47.664 3.588 1.00 0.00 C ATOM 1359 CG LEU A 78 -48.356 -47.368 3.986 1.00 0.00 C ATOM 1360 CD1 LEU A 78 -48.164 -47.504 5.497 1.00 0.00 C ATOM 1361 CD2 LEU A 78 -47.382 -48.251 3.203 1.00 0.00 C ATOM 0 H LEU A 78 -49.737 -44.941 2.401 1.00 0.00 H new ATOM 0 HA LEU A 78 -51.310 -46.612 2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -50.230 -48.347 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -49.797 -48.188 2.632 1.00 0.00 H new ATOM 0 HG LEU A 78 -48.134 -46.333 3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -47.127 -47.288 5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -48.818 -46.800 6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -48.410 -48.520 5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -46.360 -48.021 3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -47.594 -49.300 3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -47.497 -48.062 2.136 1.00 0.00 H new ATOM 1373 N ASN A 79 -51.322 -46.843 5.768 1.00 0.00 N ATOM 1374 CA ASN A 79 -52.165 -46.789 6.950 1.00 0.00 C ATOM 1375 C ASN A 79 -53.602 -47.148 6.564 1.00 0.00 C ATOM 1376 O ASN A 79 -54.553 -46.587 7.107 1.00 0.00 O ATOM 1377 CB ASN A 79 -52.175 -45.384 7.556 1.00 0.00 C ATOM 1378 CG ASN A 79 -51.012 -45.199 8.532 1.00 0.00 C ATOM 1379 OD1 ASN A 79 -50.893 -45.886 9.533 1.00 0.00 O ATOM 1380 ND2 ASN A 79 -50.163 -44.236 8.186 1.00 0.00 N ATOM 0 H ASN A 79 -50.426 -47.310 5.904 1.00 0.00 H new ATOM 0 HA ASN A 79 -51.767 -47.494 7.680 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -52.109 -44.641 6.761 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -53.119 -45.214 8.074 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -49.353 -44.035 8.773 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -50.322 -43.698 7.334 1.00 0.00 H new ATOM 1387 N ASP A 80 -53.714 -48.080 5.630 1.00 0.00 N ATOM 1388 CA ASP A 80 -55.018 -48.520 5.165 1.00 0.00 C ATOM 1389 C ASP A 80 -55.002 -50.038 4.974 1.00 0.00 C ATOM 1390 O ASP A 80 -55.839 -50.747 5.531 1.00 0.00 O ATOM 1391 CB ASP A 80 -55.369 -47.879 3.821 1.00 0.00 C ATOM 1392 CG ASP A 80 -56.547 -48.522 3.085 1.00 0.00 C ATOM 1393 OD1 ASP A 80 -56.372 -49.473 2.309 1.00 0.00 O ATOM 1394 OD2 ASP A 80 -57.699 -47.999 3.338 1.00 0.00 O ATOM 0 H ASP A 80 -52.923 -48.543 5.182 1.00 0.00 H new ATOM 0 HA ASP A 80 -55.758 -48.226 5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -55.595 -46.825 3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -54.491 -47.920 3.176 1.00 0.00 H new ATOM 1400 N GLN A 81 -54.039 -50.493 4.185 1.00 0.00 N ATOM 1401 CA GLN A 81 -53.903 -51.914 3.914 1.00 0.00 C ATOM 1402 C GLN A 81 -52.954 -52.558 4.926 1.00 0.00 C ATOM 1403 O GLN A 81 -51.817 -52.890 4.593 1.00 0.00 O ATOM 1404 CB GLN A 81 -53.422 -52.155 2.481 1.00 0.00 C ATOM 1405 CG GLN A 81 -54.261 -53.236 1.796 1.00 0.00 C ATOM 1406 CD GLN A 81 -53.429 -54.005 0.768 1.00 0.00 C ATOM 1407 OE1 GLN A 81 -53.682 -53.970 -0.425 1.00 0.00 O ATOM 1408 NE2 GLN A 81 -52.425 -54.700 1.295 1.00 0.00 N ATOM 0 H GLN A 81 -53.346 -49.903 3.725 1.00 0.00 H new ATOM 0 HA GLN A 81 -54.883 -52.380 4.017 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -53.483 -51.227 1.912 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -52.374 -52.455 2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -54.651 -53.927 2.543 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -55.120 -52.778 1.305 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -52.269 -54.686 2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -51.811 -55.247 0.691 1.00 0.00 H new ATOM 1417 N ALA A 82 -53.456 -52.717 6.142 1.00 0.00 N ATOM 1418 CA ALA A 82 -52.667 -53.316 7.205 1.00 0.00 C ATOM 1419 C ALA A 82 -52.881 -54.831 7.202 1.00 0.00 C ATOM 1420 O ALA A 82 -52.279 -55.544 6.400 1.00 0.00 O ATOM 1421 CB ALA A 82 -53.045 -52.677 8.543 1.00 0.00 C ATOM 0 H ALA A 82 -54.399 -52.441 6.415 1.00 0.00 H new ATOM 0 HA ALA A 82 -51.605 -53.133 7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -52.453 -53.126 9.341 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -52.847 -51.606 8.503 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -54.104 -52.843 8.739 1.00 0.00 H new ATOM 1427 N ASN A 83 -53.740 -55.277 8.106 1.00 0.00 N ATOM 1428 CA ASN A 83 -54.041 -56.694 8.217 1.00 0.00 C ATOM 1429 C ASN A 83 -55.248 -57.025 7.338 1.00 0.00 C ATOM 1430 O ASN A 83 -55.458 -58.182 6.976 1.00 0.00 O ATOM 1431 CB ASN A 83 -54.387 -57.072 9.659 1.00 0.00 C ATOM 1432 CG ASN A 83 -53.166 -56.934 10.571 1.00 0.00 C ATOM 1433 OD1 ASN A 83 -52.408 -57.866 10.782 1.00 0.00 O ATOM 1434 ND2 ASN A 83 -53.020 -55.721 11.097 1.00 0.00 N ATOM 0 H ASN A 83 -54.237 -54.682 8.769 1.00 0.00 H new ATOM 0 HA ASN A 83 -53.160 -57.252 7.900 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -55.191 -56.433 10.023 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -54.755 -58.097 9.691 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -52.236 -55.526 11.719 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -53.692 -54.986 10.878 1.00 0.00 H new ATOM 1441 N THR A 84 -56.011 -55.989 7.021 1.00 0.00 N ATOM 1442 CA THR A 84 -57.192 -56.156 6.192 1.00 0.00 C ATOM 1443 C THR A 84 -58.258 -56.961 6.937 1.00 0.00 C ATOM 1444 O THR A 84 -59.324 -56.439 7.260 1.00 0.00 O ATOM 1445 CB THR A 84 -56.757 -56.797 4.873 1.00 0.00 C ATOM 1446 OG1 THR A 84 -55.368 -56.490 4.779 1.00 0.00 O ATOM 1447 CG2 THR A 84 -57.374 -56.107 3.654 1.00 0.00 C ATOM 0 H THR A 84 -55.834 -55.031 7.323 1.00 0.00 H new ATOM 0 HA THR A 84 -57.655 -55.196 5.966 1.00 0.00 H new ATOM 0 HB THR A 84 -57.036 -57.851 4.873 1.00 0.00 H new ATOM 0 HG1 THR A 84 -55.004 -56.870 3.952 1.00 0.00 H new ATOM 0 HG21 THR A 84 -57.032 -56.601 2.745 1.00 0.00 H new ATOM 0 HG22 THR A 84 -58.461 -56.167 3.713 1.00 0.00 H new ATOM 0 HG23 THR A 84 -57.069 -55.061 3.635 1.00 0.00 H new ATOM 1455 N LEU A 85 -57.933 -58.221 7.188 1.00 0.00 N ATOM 1456 CA LEU A 85 -58.850 -59.104 7.889 1.00 0.00 C ATOM 1457 C LEU A 85 -58.109 -59.793 9.038 1.00 0.00 C ATOM 1458 O LEU A 85 -57.988 -59.234 10.127 1.00 0.00 O ATOM 1459 CB LEU A 85 -59.509 -60.079 6.911 1.00 0.00 C ATOM 1460 CG LEU A 85 -58.778 -60.294 5.584 1.00 0.00 C ATOM 1461 CD1 LEU A 85 -58.797 -61.769 5.181 1.00 0.00 C ATOM 1462 CD2 LEU A 85 -59.353 -59.393 4.489 1.00 0.00 C ATOM 0 H LEU A 85 -57.048 -58.651 6.919 1.00 0.00 H new ATOM 0 HA LEU A 85 -59.666 -58.532 8.331 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -59.613 -61.044 7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -60.516 -59.721 6.695 1.00 0.00 H new ATOM 0 HG LEU A 85 -57.734 -60.010 5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -58.271 -61.894 4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -58.305 -62.363 5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -59.829 -62.102 5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -58.816 -59.566 3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -60.409 -59.622 4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -59.244 -58.349 4.783 1.00 0.00 H new ATOM 1474 N VAL A 86 -57.633 -60.997 8.755 1.00 0.00 N ATOM 1475 CA VAL A 86 -56.908 -61.767 9.751 1.00 0.00 C ATOM 1476 C VAL A 86 -57.847 -62.107 10.910 1.00 0.00 C ATOM 1477 O VAL A 86 -57.858 -61.416 11.928 1.00 0.00 O ATOM 1478 CB VAL A 86 -55.660 -61.004 10.196 1.00 0.00 C ATOM 1479 CG1 VAL A 86 -54.914 -61.764 11.295 1.00 0.00 C ATOM 1480 CG2 VAL A 86 -54.740 -60.715 9.008 1.00 0.00 C ATOM 0 H VAL A 86 -57.735 -61.458 7.851 1.00 0.00 H new ATOM 0 HA VAL A 86 -56.562 -62.709 9.327 1.00 0.00 H new ATOM 0 HB VAL A 86 -55.983 -60.049 10.610 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -54.031 -61.199 11.593 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -55.569 -61.894 12.156 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -54.610 -62.741 10.920 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -53.860 -60.172 9.353 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -54.430 -61.655 8.551 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -55.274 -60.113 8.273 1.00 0.00 H new ATOM 1490 N ASP A 87 -58.613 -63.171 10.717 1.00 0.00 N ATOM 1491 CA ASP A 87 -59.553 -63.610 11.734 1.00 0.00 C ATOM 1492 C ASP A 87 -59.645 -65.137 11.713 1.00 0.00 C ATOM 1493 O ASP A 87 -58.849 -65.819 12.357 1.00 0.00 O ATOM 1494 CB ASP A 87 -60.952 -63.049 11.470 1.00 0.00 C ATOM 1495 CG ASP A 87 -61.206 -61.651 12.038 1.00 0.00 C ATOM 1496 OD1 ASP A 87 -61.111 -60.644 11.321 1.00 0.00 O ATOM 1497 OD2 ASP A 87 -61.517 -61.619 13.289 1.00 0.00 O ATOM 0 H ASP A 87 -58.602 -63.742 9.872 1.00 0.00 H new ATOM 0 HA ASP A 87 -59.196 -63.251 12.700 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -61.119 -63.023 10.393 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -61.687 -63.735 11.891 1.00 0.00 H new ATOM 1503 N LEU A 88 -60.621 -65.629 10.965 1.00 0.00 N ATOM 1504 CA LEU A 88 -60.827 -67.063 10.851 1.00 0.00 C ATOM 1505 C LEU A 88 -61.788 -67.525 11.948 1.00 0.00 C ATOM 1506 O LEU A 88 -62.410 -68.579 11.830 1.00 0.00 O ATOM 1507 CB LEU A 88 -59.485 -67.799 10.859 1.00 0.00 C ATOM 1508 CG LEU A 88 -59.012 -68.317 12.218 1.00 0.00 C ATOM 1509 CD1 LEU A 88 -59.368 -69.795 12.396 1.00 0.00 C ATOM 1510 CD2 LEU A 88 -57.517 -68.060 12.413 1.00 0.00 C ATOM 0 H LEU A 88 -61.278 -65.060 10.432 1.00 0.00 H new ATOM 0 HA LEU A 88 -61.293 -67.306 9.896 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -59.553 -68.644 10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -58.723 -67.128 10.463 1.00 0.00 H new ATOM 0 HG LEU A 88 -59.538 -67.763 12.996 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -59.020 -70.138 13.370 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -60.449 -69.919 12.332 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -58.888 -70.382 11.613 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -57.207 -68.438 13.387 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -56.955 -68.570 11.630 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -57.322 -66.989 12.361 1.00 0.00 H new ATOM 1522 N ALA A 89 -61.878 -66.713 12.991 1.00 0.00 N ATOM 1523 CA ALA A 89 -62.753 -67.025 14.109 1.00 0.00 C ATOM 1524 C ALA A 89 -64.188 -66.630 13.754 1.00 0.00 C ATOM 1525 O ALA A 89 -65.112 -67.425 13.915 1.00 0.00 O ATOM 1526 CB ALA A 89 -62.247 -66.316 15.367 1.00 0.00 C ATOM 0 H ALA A 89 -61.360 -65.840 13.086 1.00 0.00 H new ATOM 0 HA ALA A 89 -62.747 -68.096 14.314 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -62.903 -66.550 16.205 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -61.235 -66.653 15.593 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -62.241 -65.239 15.200 1.00 0.00 H new ATOM 1532 N LYS A 90 -64.329 -65.401 13.278 1.00 0.00 N ATOM 1533 CA LYS A 90 -65.635 -64.891 12.898 1.00 0.00 C ATOM 1534 C LYS A 90 -66.597 -65.037 14.079 1.00 0.00 C ATOM 1535 O LYS A 90 -66.225 -65.564 15.126 1.00 0.00 O ATOM 1536 CB LYS A 90 -66.125 -65.571 11.618 1.00 0.00 C ATOM 1537 CG LYS A 90 -66.579 -64.536 10.587 1.00 0.00 C ATOM 1538 CD LYS A 90 -65.561 -64.410 9.452 1.00 0.00 C ATOM 1539 CE LYS A 90 -65.034 -62.978 9.344 1.00 0.00 C ATOM 1540 NZ LYS A 90 -64.579 -62.696 7.964 1.00 0.00 N ATOM 0 H LYS A 90 -63.560 -64.744 13.147 1.00 0.00 H new ATOM 0 HA LYS A 90 -65.576 -63.828 12.663 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -65.326 -66.182 11.198 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -66.951 -66.243 11.852 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -67.549 -64.824 10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -66.711 -63.568 11.071 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -64.731 -65.095 9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -66.024 -64.703 8.510 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -65.817 -62.274 9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -64.209 -62.834 10.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -64.224 -61.720 7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -63.817 -63.356 7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -65.375 -62.813 7.305 1.00 0.00 H new ATOM 1553 N THR A 91 -67.816 -64.562 13.870 1.00 0.00 N ATOM 1554 CA THR A 91 -68.835 -64.633 14.904 1.00 0.00 C ATOM 1555 C THR A 91 -68.221 -64.354 16.277 1.00 0.00 C ATOM 1556 O THR A 91 -67.841 -65.281 16.992 1.00 0.00 O ATOM 1557 CB THR A 91 -69.511 -66.001 14.808 1.00 0.00 C ATOM 1558 OG1 THR A 91 -68.430 -66.928 14.849 1.00 0.00 O ATOM 1559 CG2 THR A 91 -70.155 -66.241 13.441 1.00 0.00 C ATOM 0 H THR A 91 -68.121 -64.126 13.000 1.00 0.00 H new ATOM 0 HA THR A 91 -69.597 -63.867 14.762 1.00 0.00 H new ATOM 0 HB THR A 91 -70.269 -66.086 15.587 1.00 0.00 H new ATOM 0 HG1 THR A 91 -67.762 -66.623 15.498 1.00 0.00 H new ATOM 0 HG21 THR A 91 -70.621 -67.226 13.426 1.00 0.00 H new ATOM 0 HG22 THR A 91 -70.912 -65.479 13.257 1.00 0.00 H new ATOM 0 HG23 THR A 91 -69.391 -66.189 12.665 1.00 0.00 H new ATOM 1567 N GLN A 92 -68.141 -63.073 16.606 1.00 0.00 N ATOM 1568 CA GLN A 92 -67.580 -62.660 17.881 1.00 0.00 C ATOM 1569 C GLN A 92 -68.617 -61.880 18.690 1.00 0.00 C ATOM 1570 O GLN A 92 -68.372 -60.742 19.087 1.00 0.00 O ATOM 1571 CB GLN A 92 -66.308 -61.835 17.678 1.00 0.00 C ATOM 1572 CG GLN A 92 -65.555 -61.656 18.998 1.00 0.00 C ATOM 1573 CD GLN A 92 -64.242 -60.899 18.782 1.00 0.00 C ATOM 1574 OE1 GLN A 92 -64.219 -59.746 18.384 1.00 0.00 O ATOM 1575 NE2 GLN A 92 -63.155 -61.609 19.066 1.00 0.00 N ATOM 0 H GLN A 92 -68.456 -62.307 16.011 1.00 0.00 H new ATOM 0 HA GLN A 92 -67.308 -63.554 18.443 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -65.663 -62.328 16.951 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -66.565 -60.859 17.266 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -66.180 -61.112 19.707 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -65.348 -62.632 19.438 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -63.245 -62.570 19.395 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -62.230 -61.193 18.955 1.00 0.00 H new TER 1584 GLN A 92