USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 200 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 112 THR OG1 : rot -45:sc= 0.487 USER MOD Set 1.2: A 115 THR OG1 : rot -170:sc= 0.562 USER MOD Set 2.1: A 87 THR OG1 : rot -101:sc= 0.663 USER MOD Set 2.2: A 94 ASN : amide:sc= 0.0884 K(o=0.75,f=0.15) USER MOD Set 3.1: A 56 SER OG : rot 30:sc= -0.552 USER MOD Set 3.2: A 60 MET CE :methyl -174:sc= -1.3 (180deg=-1.41) USER MOD Set 3.3: A 85 MET CE :methyl -118:sc= -0.267 (180deg=-2.09) USER MOD Set 4.1: A 47 GLN : amide:sc= -0.0184 X(o=-0.2,f=-0.2) USER MOD Set 4.2: A 78 MET CE :methyl -150:sc= -0.182 (180deg=-0.302) USER MOD Set 5.1: A 15 SER OG : rot 180:sc= 0.00347 USER MOD Set 5.2: A 16 THR OG1 : rot 111:sc= 0.277 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= 0.0297 (180deg=0.0261) USER MOD Single : A 17 MET CE :methyl 180:sc=-0.00385 (180deg=-0.00385) USER MOD Single : A 23 ASN : amide:sc= 0.322 K(o=0.32,f=-6.2!) USER MOD Single : A 26 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0569) USER MOD Single : A 31 ASN : amide:sc= -0.284 K(o=-0.28,f=-1.5!) USER MOD Single : A 32 ASN : amide:sc= -1.03 K(o=-1,f=-2.9!) USER MOD Single : A 44 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.55) USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 0.754 (180deg=0.751) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.00045) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 42:sc= 0.786 USER MOD Single : A 79 SER OG : rot -56:sc= 1.26 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -1.61! C(o=-1.6!,f=-5!) USER MOD Single : A 104 SER OG : rot -130:sc= 0.439 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 179:sc= 0.337 (180deg=0.336) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -0.46 K(o=-0.46,f=-2.1) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 4 -14.178 -2.013 -8.793 1.00 0.00 N ATOM 38 CA LYS A 4 -14.554 -1.394 -7.495 1.00 0.00 C ATOM 39 C LYS A 4 -14.456 -2.277 -6.252 1.00 0.00 C ATOM 40 O LYS A 4 -14.455 -1.783 -5.127 1.00 0.00 O ATOM 41 CB LYS A 4 -15.957 -0.772 -7.601 1.00 0.00 C ATOM 42 CG LYS A 4 -16.013 0.407 -8.574 1.00 0.00 C ATOM 43 CD LYS A 4 -15.001 1.490 -8.174 1.00 0.00 C ATOM 44 CE LYS A 4 -14.932 2.615 -9.214 1.00 0.00 C ATOM 45 NZ LYS A 4 -13.614 3.232 -9.086 1.00 0.00 N ATOM 0 HA LYS A 4 -13.789 -0.635 -7.330 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.664 -1.536 -7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.276 -0.438 -6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.801 0.060 -9.586 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.018 0.828 -8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.278 1.906 -7.205 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.015 1.041 -8.058 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.077 2.220 -10.220 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.720 3.348 -9.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.524 4.004 -9.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.501 3.612 -8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.878 2.519 -9.266 1.00 0.00 H new ATOM 50 N GLU A 5 -14.404 -3.590 -6.455 1.00 0.00 N ATOM 51 CA GLU A 5 -14.283 -4.557 -5.356 1.00 0.00 C ATOM 52 C GLU A 5 -12.882 -5.196 -5.384 1.00 0.00 C ATOM 53 O GLU A 5 -12.694 -6.408 -5.412 1.00 0.00 O ATOM 54 CB GLU A 5 -15.413 -5.583 -5.455 1.00 0.00 C ATOM 55 CG GLU A 5 -16.252 -5.613 -4.171 1.00 0.00 C ATOM 56 CD GLU A 5 -15.426 -5.996 -2.945 1.00 0.00 C ATOM 57 OE1 GLU A 5 -14.949 -7.153 -2.908 1.00 0.00 O ATOM 58 OE2 GLU A 5 -15.259 -5.113 -2.068 1.00 0.00 O ATOM 0 H GLU A 5 -14.444 -4.018 -7.380 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.386 -4.061 -4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.052 -5.342 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.994 -6.572 -5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.702 -4.633 -4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.070 -6.323 -4.291 1.00 0.00 H new ATOM 60 N LEU A 6 -11.944 -4.280 -5.219 1.00 0.00 N ATOM 61 CA LEU A 6 -10.491 -4.527 -5.235 1.00 0.00 C ATOM 62 C LEU A 6 -10.004 -4.929 -3.830 1.00 0.00 C ATOM 63 O LEU A 6 -10.472 -4.389 -2.827 1.00 0.00 O ATOM 64 CB LEU A 6 -9.899 -3.205 -5.744 1.00 0.00 C ATOM 65 CG LEU A 6 -8.384 -3.127 -5.888 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.814 -4.150 -6.867 1.00 0.00 C ATOM 67 CD2 LEU A 6 -8.035 -1.735 -6.411 1.00 0.00 C ATOM 0 H LEU A 6 -12.171 -3.298 -5.063 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.184 -5.356 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.342 -2.989 -6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -10.215 -2.411 -5.067 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.952 -3.336 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.731 -4.038 -6.921 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.058 -5.156 -6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.245 -3.988 -7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.954 -1.649 -6.524 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.515 -1.578 -7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.387 -0.982 -5.705 1.00 0.00 H new ATOM 69 N LYS A 7 -9.155 -5.951 -3.835 1.00 0.00 N ATOM 70 CA LYS A 7 -8.560 -6.525 -2.605 1.00 0.00 C ATOM 71 C LYS A 7 -7.278 -5.790 -2.193 1.00 0.00 C ATOM 72 O LYS A 7 -6.324 -5.660 -2.970 1.00 0.00 O ATOM 73 CB LYS A 7 -8.309 -8.013 -2.854 1.00 0.00 C ATOM 74 CG LYS A 7 -8.069 -8.788 -1.556 1.00 0.00 C ATOM 75 CD LYS A 7 -7.924 -10.275 -1.877 1.00 0.00 C ATOM 76 CE LYS A 7 -7.867 -11.108 -0.601 1.00 0.00 C ATOM 77 NZ LYS A 7 -7.775 -12.531 -0.969 1.00 0.00 N ATOM 0 H LYS A 7 -8.850 -6.416 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.250 -6.402 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.164 -8.441 -3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.445 -8.129 -3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.170 -8.421 -1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.899 -8.632 -0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.763 -10.601 -2.491 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.019 -10.438 -2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.007 -10.817 0.002 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.755 -10.931 0.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.633 -13.103 -0.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.654 -12.825 -1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.972 -12.671 -1.615 1.00 0.00 H new ATOM 82 N PHE A 8 -7.372 -5.221 -0.995 1.00 0.00 N ATOM 83 CA PHE A 8 -6.300 -4.445 -0.347 1.00 0.00 C ATOM 84 C PHE A 8 -5.659 -5.185 0.835 1.00 0.00 C ATOM 85 O PHE A 8 -6.283 -6.010 1.492 1.00 0.00 O ATOM 86 CB PHE A 8 -6.834 -3.129 0.231 1.00 0.00 C ATOM 87 CG PHE A 8 -7.227 -2.121 -0.832 1.00 0.00 C ATOM 88 CD1 PHE A 8 -8.455 -2.264 -1.510 1.00 0.00 C ATOM 89 CD2 PHE A 8 -6.278 -1.154 -1.235 1.00 0.00 C ATOM 90 CE1 PHE A 8 -8.697 -1.482 -2.652 1.00 0.00 C ATOM 91 CE2 PHE A 8 -6.534 -0.356 -2.371 1.00 0.00 C ATOM 92 CZ PHE A 8 -7.731 -0.564 -3.095 1.00 0.00 C ATOM 0 H PHE A 8 -8.216 -5.284 -0.426 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.566 -4.277 -1.135 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.700 -3.341 0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.073 -2.689 0.876 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.198 -2.964 -1.157 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.362 -1.026 -0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.628 -1.587 -3.190 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.828 0.400 -2.682 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.905 -0.007 -4.004 1.00 0.00 H new ATOM 94 N LEU A 9 -4.381 -4.890 1.012 1.00 0.00 N ATOM 95 CA LEU A 9 -3.609 -5.414 2.144 1.00 0.00 C ATOM 96 C LEU A 9 -2.939 -4.238 2.867 1.00 0.00 C ATOM 97 O LEU A 9 -2.099 -3.531 2.324 1.00 0.00 O ATOM 98 CB LEU A 9 -2.639 -6.502 1.640 1.00 0.00 C ATOM 99 CG LEU A 9 -1.971 -7.376 2.722 1.00 0.00 C ATOM 100 CD1 LEU A 9 -0.564 -6.839 2.954 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.734 -7.634 4.011 1.00 0.00 C ATOM 0 H LEU A 9 -3.847 -4.287 0.386 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.243 -5.906 2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.183 -7.157 0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.854 -6.018 1.058 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.955 -8.388 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.067 -7.439 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.003 -6.890 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.620 -5.803 3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.134 -8.263 4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.943 -6.686 4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.673 -8.139 3.783 1.00 0.00 H new ATOM 103 N VAL A 10 -3.550 -3.925 4.004 1.00 0.00 N ATOM 104 CA VAL A 10 -3.132 -2.822 4.889 1.00 0.00 C ATOM 105 C VAL A 10 -2.010 -3.314 5.813 1.00 0.00 C ATOM 106 O VAL A 10 -2.239 -4.043 6.776 1.00 0.00 O ATOM 107 CB VAL A 10 -4.347 -2.258 5.667 1.00 0.00 C ATOM 108 CG1 VAL A 10 -3.944 -1.176 6.673 1.00 0.00 C ATOM 109 CG2 VAL A 10 -5.377 -1.670 4.705 1.00 0.00 C ATOM 0 H VAL A 10 -4.364 -4.433 4.350 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.737 -1.996 4.298 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.777 -3.097 6.215 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.831 -0.813 7.192 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.245 -1.595 7.397 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.468 -0.349 6.146 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.222 -1.279 5.271 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.920 -0.863 4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.724 -2.447 4.024 1.00 0.00 H new ATOM 111 N VAL A 11 -0.804 -2.867 5.486 1.00 0.00 N ATOM 112 CA VAL A 11 0.409 -3.216 6.256 1.00 0.00 C ATOM 113 C VAL A 11 0.793 -2.000 7.101 1.00 0.00 C ATOM 114 O VAL A 11 1.499 -1.091 6.675 1.00 0.00 O ATOM 115 CB VAL A 11 1.646 -3.614 5.436 1.00 0.00 C ATOM 116 CG1 VAL A 11 2.481 -4.578 6.284 1.00 0.00 C ATOM 117 CG2 VAL A 11 1.347 -4.239 4.086 1.00 0.00 C ATOM 0 H VAL A 11 -0.627 -2.257 4.688 1.00 0.00 H new ATOM 0 HA VAL A 11 0.139 -4.101 6.832 1.00 0.00 H new ATOM 0 HB VAL A 11 2.183 -2.694 5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.368 -4.878 5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.783 -4.083 7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.887 -5.460 6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.283 -4.485 3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.761 -5.147 4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.782 -3.534 3.476 1.00 0.00 H new ATOM 119 N ASP A 12 0.268 -2.025 8.318 1.00 0.00 N ATOM 120 CA ASP A 12 0.525 -0.955 9.294 1.00 0.00 C ATOM 121 C ASP A 12 0.829 -1.575 10.657 1.00 0.00 C ATOM 122 O ASP A 12 0.035 -2.328 11.230 1.00 0.00 O ATOM 123 CB ASP A 12 -0.703 -0.027 9.334 1.00 0.00 C ATOM 124 CG ASP A 12 -0.341 1.310 9.981 1.00 0.00 C ATOM 125 OD1 ASP A 12 -0.099 1.289 11.210 1.00 0.00 O ATOM 126 OD2 ASP A 12 -0.168 2.274 9.219 1.00 0.00 O ATOM 0 H ASP A 12 -0.339 -2.770 8.660 1.00 0.00 H new ATOM 0 HA ASP A 12 1.392 -0.360 9.009 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.073 0.140 8.323 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.508 -0.503 9.894 1.00 0.00 H new ATOM 128 N ASP A 13 1.953 -1.147 11.208 1.00 0.00 N ATOM 129 CA ASP A 13 2.465 -1.619 12.518 1.00 0.00 C ATOM 130 C ASP A 13 1.554 -1.370 13.731 1.00 0.00 C ATOM 131 O ASP A 13 1.668 -2.068 14.734 1.00 0.00 O ATOM 132 CB ASP A 13 3.866 -1.062 12.762 1.00 0.00 C ATOM 133 CG ASP A 13 4.003 0.455 12.896 1.00 0.00 C ATOM 134 OD1 ASP A 13 3.248 1.179 12.208 1.00 0.00 O ATOM 135 OD2 ASP A 13 4.897 0.874 13.662 1.00 0.00 O ATOM 0 H ASP A 13 2.555 -0.453 10.765 1.00 0.00 H new ATOM 0 HA ASP A 13 2.491 -2.705 12.433 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.257 -1.518 13.672 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.506 -1.388 11.942 1.00 0.00 H new ATOM 137 N PHE A 14 0.645 -0.409 13.604 1.00 0.00 N ATOM 138 CA PHE A 14 -0.285 -0.045 14.693 1.00 0.00 C ATOM 139 C PHE A 14 -1.672 -0.639 14.450 1.00 0.00 C ATOM 140 O PHE A 14 -2.327 -0.354 13.443 1.00 0.00 O ATOM 141 CB PHE A 14 -0.371 1.484 14.758 1.00 0.00 C ATOM 142 CG PHE A 14 -1.013 2.047 16.026 1.00 0.00 C ATOM 143 CD1 PHE A 14 -0.629 1.579 17.299 1.00 0.00 C ATOM 144 CD2 PHE A 14 -1.764 3.236 15.891 1.00 0.00 C ATOM 145 CE1 PHE A 14 -0.978 2.308 18.457 1.00 0.00 C ATOM 146 CE2 PHE A 14 -2.110 3.977 17.043 1.00 0.00 C ATOM 147 CZ PHE A 14 -1.713 3.514 18.315 1.00 0.00 C ATOM 0 H PHE A 14 0.524 0.142 12.754 1.00 0.00 H new ATOM 0 HA PHE A 14 0.085 -0.446 15.637 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.635 1.893 14.667 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.937 1.837 13.896 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.067 0.661 17.389 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.072 3.576 14.913 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.690 1.953 19.436 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.675 4.893 16.950 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.972 4.086 19.194 1.00 0.00 H new ATOM 149 N SER A 15 -2.164 -1.268 15.518 1.00 0.00 N ATOM 150 CA SER A 15 -3.491 -1.921 15.569 1.00 0.00 C ATOM 151 C SER A 15 -4.617 -1.004 15.079 1.00 0.00 C ATOM 152 O SER A 15 -5.203 -1.239 14.026 1.00 0.00 O ATOM 153 CB SER A 15 -3.769 -2.433 16.988 1.00 0.00 C ATOM 154 OG SER A 15 -3.569 -1.374 17.936 1.00 0.00 O ATOM 0 H SER A 15 -1.648 -1.344 16.394 1.00 0.00 H new ATOM 0 HA SER A 15 -3.468 -2.768 14.884 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.791 -2.806 17.056 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.109 -3.269 17.218 1.00 0.00 H new ATOM 0 HG SER A 15 -3.750 -1.706 18.840 1.00 0.00 H new ATOM 157 N THR A 16 -4.751 0.142 15.749 1.00 0.00 N ATOM 158 CA THR A 16 -5.755 1.177 15.440 1.00 0.00 C ATOM 159 C THR A 16 -5.607 1.736 14.023 1.00 0.00 C ATOM 160 O THR A 16 -6.597 1.806 13.283 1.00 0.00 O ATOM 161 CB THR A 16 -5.676 2.363 16.408 1.00 0.00 C ATOM 162 OG1 THR A 16 -4.936 2.010 17.589 1.00 0.00 O ATOM 163 CG2 THR A 16 -7.077 2.838 16.783 1.00 0.00 C ATOM 0 H THR A 16 -4.155 0.387 16.539 1.00 0.00 H new ATOM 0 HA THR A 16 -6.715 0.671 15.538 1.00 0.00 H new ATOM 0 HB THR A 16 -5.153 3.177 15.907 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.082 2.490 17.596 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.004 3.680 17.471 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.609 3.149 15.884 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.621 2.024 17.263 1.00 0.00 H new ATOM 166 N MET A 17 -4.371 2.041 13.625 1.00 0.00 N ATOM 167 CA MET A 17 -4.114 2.591 12.281 1.00 0.00 C ATOM 168 C MET A 17 -4.563 1.656 11.147 1.00 0.00 C ATOM 169 O MET A 17 -5.181 2.128 10.190 1.00 0.00 O ATOM 170 CB MET A 17 -2.660 3.062 12.127 1.00 0.00 C ATOM 171 CG MET A 17 -2.492 3.936 10.880 1.00 0.00 C ATOM 172 SD MET A 17 -3.605 5.392 10.834 1.00 0.00 S ATOM 173 CE MET A 17 -3.454 5.820 9.112 1.00 0.00 C ATOM 0 H MET A 17 -3.538 1.921 14.201 1.00 0.00 H new ATOM 0 HA MET A 17 -4.743 3.476 12.185 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.361 3.624 13.012 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.000 2.197 12.060 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.459 4.279 10.826 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.672 3.326 9.995 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.070 6.694 8.899 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.412 6.046 8.883 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.787 4.983 8.498 1.00 0.00 H new ATOM 175 N ARG A 18 -4.391 0.342 11.328 1.00 0.00 N ATOM 176 CA ARG A 18 -4.851 -0.644 10.324 1.00 0.00 C ATOM 177 C ARG A 18 -6.362 -0.528 10.062 1.00 0.00 C ATOM 178 O ARG A 18 -6.775 -0.287 8.934 1.00 0.00 O ATOM 179 CB ARG A 18 -4.554 -2.092 10.739 1.00 0.00 C ATOM 180 CG ARG A 18 -3.073 -2.436 10.720 1.00 0.00 C ATOM 181 CD ARG A 18 -2.806 -3.926 10.953 1.00 0.00 C ATOM 182 NE ARG A 18 -3.446 -4.375 12.202 1.00 0.00 N ATOM 183 CZ ARG A 18 -2.839 -4.714 13.344 1.00 0.00 C ATOM 184 NH1 ARG A 18 -1.530 -4.567 13.535 1.00 0.00 N ATOM 185 NH2 ARG A 18 -3.583 -5.128 14.364 1.00 0.00 N ATOM 0 H ARG A 18 -3.943 -0.067 12.148 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.294 -0.409 9.417 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.946 -2.262 11.742 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.085 -2.770 10.070 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.649 -2.141 9.760 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.560 -1.856 11.487 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.188 -4.506 10.113 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.732 -4.106 11.002 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.464 -4.434 12.195 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.946 -4.182 12.793 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.110 -4.840 14.424 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.597 -5.182 14.267 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.140 -5.392 15.244 1.00 0.00 H new ATOM 192 N ARG A 19 -7.116 -0.461 11.173 1.00 0.00 N ATOM 193 CA ARG A 19 -8.584 -0.339 11.152 1.00 0.00 C ATOM 194 C ARG A 19 -9.058 0.933 10.417 1.00 0.00 C ATOM 195 O ARG A 19 -9.955 0.872 9.584 1.00 0.00 O ATOM 196 CB ARG A 19 -9.125 -0.380 12.590 1.00 0.00 C ATOM 197 CG ARG A 19 -10.658 -0.470 12.627 1.00 0.00 C ATOM 198 CD ARG A 19 -11.161 -1.793 12.034 1.00 0.00 C ATOM 199 NE ARG A 19 -12.489 -1.541 11.436 1.00 0.00 N ATOM 200 CZ ARG A 19 -13.676 -1.712 12.020 1.00 0.00 C ATOM 201 NH1 ARG A 19 -13.842 -2.366 13.165 1.00 0.00 N ATOM 202 NH2 ARG A 19 -14.760 -1.343 11.350 1.00 0.00 N ATOM 0 H ARG A 19 -6.723 -0.490 12.114 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.983 -1.184 10.592 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.699 -1.236 13.113 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.801 0.513 13.124 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.004 -0.377 13.657 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.086 0.364 12.071 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.466 -2.163 11.280 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.229 -2.558 12.808 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.499 -1.200 10.475 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.036 -2.769 13.644 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.775 -2.465 13.565 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.671 -0.942 10.416 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.683 -1.460 11.768 1.00 0.00 H new ATOM 209 N ILE A 20 -8.385 2.057 10.689 1.00 0.00 N ATOM 210 CA ILE A 20 -8.697 3.360 10.046 1.00 0.00 C ATOM 211 C ILE A 20 -8.623 3.237 8.510 1.00 0.00 C ATOM 212 O ILE A 20 -9.620 3.510 7.838 1.00 0.00 O ATOM 213 CB ILE A 20 -7.812 4.481 10.619 1.00 0.00 C ATOM 214 CG1 ILE A 20 -8.153 4.675 12.106 1.00 0.00 C ATOM 215 CG2 ILE A 20 -7.959 5.806 9.843 1.00 0.00 C ATOM 216 CD1 ILE A 20 -7.117 5.488 12.900 1.00 0.00 C ATOM 0 H ILE A 20 -7.613 2.100 11.354 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.724 3.641 10.281 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.770 4.181 10.512 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.120 5.172 12.182 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.261 3.695 12.571 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.313 6.562 10.289 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.673 5.652 8.803 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.995 6.141 9.888 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.440 5.574 13.938 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.151 4.984 12.861 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.025 6.483 12.465 1.00 0.00 H new ATOM 218 N VAL A 21 -7.549 2.645 8.000 1.00 0.00 N ATOM 219 CA VAL A 21 -7.352 2.474 6.538 1.00 0.00 C ATOM 220 C VAL A 21 -8.460 1.571 5.959 1.00 0.00 C ATOM 221 O VAL A 21 -9.042 1.925 4.930 1.00 0.00 O ATOM 222 CB VAL A 21 -5.953 1.945 6.172 1.00 0.00 C ATOM 223 CG1 VAL A 21 -5.700 2.154 4.666 1.00 0.00 C ATOM 224 CG2 VAL A 21 -4.822 2.641 6.923 1.00 0.00 C ATOM 0 H VAL A 21 -6.790 2.269 8.568 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.422 3.464 6.087 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.950 0.891 6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.709 1.779 4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.453 1.614 4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.758 3.217 4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.866 2.217 6.615 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.837 3.707 6.696 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.954 2.497 7.995 1.00 0.00 H new ATOM 226 N ARG A 22 -8.811 0.496 6.674 1.00 0.00 N ATOM 227 CA ARG A 22 -9.898 -0.422 6.280 1.00 0.00 C ATOM 228 C ARG A 22 -11.204 0.368 6.062 1.00 0.00 C ATOM 229 O ARG A 22 -11.719 0.412 4.948 1.00 0.00 O ATOM 230 CB ARG A 22 -10.059 -1.504 7.359 1.00 0.00 C ATOM 231 CG ARG A 22 -11.207 -2.482 7.087 1.00 0.00 C ATOM 232 CD ARG A 22 -11.361 -3.539 8.179 1.00 0.00 C ATOM 233 NE ARG A 22 -10.262 -4.525 8.140 1.00 0.00 N ATOM 234 CZ ARG A 22 -10.208 -5.620 7.368 1.00 0.00 C ATOM 235 NH1 ARG A 22 -11.165 -5.949 6.511 1.00 0.00 N ATOM 236 NH2 ARG A 22 -9.230 -6.502 7.514 1.00 0.00 N ATOM 0 H ARG A 22 -8.351 0.233 7.546 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.653 -0.912 5.338 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.128 -2.065 7.440 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.225 -1.022 8.322 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.139 -1.924 6.995 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.037 -2.977 6.131 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.381 -3.054 9.155 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.315 -4.052 8.058 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.469 -4.357 8.759 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.991 -5.357 6.417 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.076 -6.794 5.946 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.509 -6.351 8.219 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.199 -7.332 6.921 1.00 0.00 H new ATOM 243 N ASN A 23 -11.568 1.159 7.070 1.00 0.00 N ATOM 244 CA ASN A 23 -12.765 2.021 7.063 1.00 0.00 C ATOM 245 C ASN A 23 -12.770 3.061 5.927 1.00 0.00 C ATOM 246 O ASN A 23 -13.793 3.261 5.265 1.00 0.00 O ATOM 247 CB ASN A 23 -12.976 2.663 8.440 1.00 0.00 C ATOM 248 CG ASN A 23 -13.281 1.625 9.536 1.00 0.00 C ATOM 249 OD1 ASN A 23 -13.430 0.429 9.317 1.00 0.00 O ATOM 250 ND2 ASN A 23 -13.300 2.052 10.777 1.00 0.00 N ATOM 0 H ASN A 23 -11.033 1.225 7.936 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.617 1.374 6.854 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.084 3.225 8.715 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.798 3.377 8.382 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.437 1.391 11.542 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.177 3.045 10.977 1.00 0.00 H new ATOM 254 N LEU A 24 -11.606 3.622 5.637 1.00 0.00 N ATOM 255 CA LEU A 24 -11.414 4.597 4.542 1.00 0.00 C ATOM 256 C LEU A 24 -11.706 3.954 3.178 1.00 0.00 C ATOM 257 O LEU A 24 -12.548 4.439 2.422 1.00 0.00 O ATOM 258 CB LEU A 24 -9.970 5.116 4.548 1.00 0.00 C ATOM 259 CG LEU A 24 -9.614 5.957 5.777 1.00 0.00 C ATOM 260 CD1 LEU A 24 -8.154 6.413 5.694 1.00 0.00 C ATOM 261 CD2 LEU A 24 -10.511 7.175 5.992 1.00 0.00 C ATOM 0 H LEU A 24 -10.750 3.419 6.154 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.107 5.423 4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.289 4.266 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.806 5.714 3.652 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.774 5.304 6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.909 7.011 6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.502 5.540 5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.011 7.013 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.188 7.712 6.884 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.443 7.834 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.543 6.849 6.120 1.00 0.00 H new ATOM 263 N LEU A 25 -11.030 2.845 2.912 1.00 0.00 N ATOM 264 CA LEU A 25 -11.202 2.038 1.671 1.00 0.00 C ATOM 265 C LEU A 25 -12.658 1.612 1.469 1.00 0.00 C ATOM 266 O LEU A 25 -13.234 1.806 0.397 1.00 0.00 O ATOM 267 CB LEU A 25 -10.328 0.782 1.718 1.00 0.00 C ATOM 268 CG LEU A 25 -8.871 1.204 1.609 1.00 0.00 C ATOM 269 CD1 LEU A 25 -7.926 0.126 2.145 1.00 0.00 C ATOM 270 CD2 LEU A 25 -8.491 1.581 0.175 1.00 0.00 C ATOM 0 H LEU A 25 -10.333 2.459 3.549 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.900 2.673 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.496 0.238 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.589 0.108 0.902 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.759 2.092 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.895 0.466 2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.149 -0.064 3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.060 -0.792 1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.442 1.876 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.648 0.724 -0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.112 2.412 -0.160 1.00 0.00 H new ATOM 272 N LYS A 26 -13.246 1.185 2.576 1.00 0.00 N ATOM 273 CA LYS A 26 -14.656 0.759 2.687 1.00 0.00 C ATOM 274 C LYS A 26 -15.593 1.896 2.219 1.00 0.00 C ATOM 275 O LYS A 26 -16.340 1.713 1.253 1.00 0.00 O ATOM 276 CB LYS A 26 -14.884 0.419 4.163 1.00 0.00 C ATOM 277 CG LYS A 26 -16.228 -0.229 4.469 1.00 0.00 C ATOM 278 CD LYS A 26 -16.425 -0.428 5.975 1.00 0.00 C ATOM 279 CE LYS A 26 -15.473 -1.444 6.622 1.00 0.00 C ATOM 280 NZ LYS A 26 -15.770 -2.793 6.132 1.00 0.00 N ATOM 0 H LYS A 26 -12.746 1.119 3.462 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.871 -0.104 2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.090 -0.250 4.494 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.795 1.333 4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.031 0.393 4.075 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.293 -1.192 3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.300 0.533 6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -17.451 -0.749 6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.440 -1.184 6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.576 -1.411 7.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.204 -3.487 6.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.781 -2.996 6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.536 -2.854 5.120 1.00 0.00 H new ATOM 285 N GLU A 27 -15.334 3.103 2.714 1.00 0.00 N ATOM 286 CA GLU A 27 -16.060 4.346 2.394 1.00 0.00 C ATOM 287 C GLU A 27 -16.002 4.698 0.900 1.00 0.00 C ATOM 288 O GLU A 27 -16.972 5.167 0.326 1.00 0.00 O ATOM 289 CB GLU A 27 -15.425 5.432 3.269 1.00 0.00 C ATOM 290 CG GLU A 27 -16.046 5.466 4.666 1.00 0.00 C ATOM 291 CD GLU A 27 -15.267 6.405 5.593 1.00 0.00 C ATOM 292 OE1 GLU A 27 -15.470 7.635 5.457 1.00 0.00 O ATOM 293 OE2 GLU A 27 -14.504 5.884 6.434 1.00 0.00 O ATOM 0 H GLU A 27 -14.578 3.257 3.381 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.125 4.239 2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.353 5.253 3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.550 6.404 2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.083 5.795 4.598 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.057 4.461 5.087 1.00 0.00 H new ATOM 295 N LEU A 28 -14.843 4.432 0.299 1.00 0.00 N ATOM 296 CA LEU A 28 -14.571 4.651 -1.143 1.00 0.00 C ATOM 297 C LEU A 28 -15.282 3.631 -2.058 1.00 0.00 C ATOM 298 O LEU A 28 -15.448 3.873 -3.260 1.00 0.00 O ATOM 299 CB LEU A 28 -13.056 4.586 -1.401 1.00 0.00 C ATOM 300 CG LEU A 28 -12.266 5.659 -0.636 1.00 0.00 C ATOM 301 CD1 LEU A 28 -10.768 5.350 -0.727 1.00 0.00 C ATOM 302 CD2 LEU A 28 -12.572 7.069 -1.127 1.00 0.00 C ATOM 0 H LEU A 28 -14.042 4.050 0.802 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.966 5.637 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.687 3.600 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.870 4.700 -2.469 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.578 5.629 0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.206 6.110 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.571 4.372 -0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.460 5.348 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.988 7.789 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.313 7.151 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.634 7.277 -0.996 1.00 0.00 H new ATOM 304 N GLY A 29 -15.665 2.497 -1.476 1.00 0.00 N ATOM 305 CA GLY A 29 -16.342 1.383 -2.173 1.00 0.00 C ATOM 306 C GLY A 29 -15.560 0.049 -2.152 1.00 0.00 C ATOM 307 O GLY A 29 -16.177 -1.022 -2.213 1.00 0.00 O ATOM 0 H GLY A 29 -15.514 2.313 -0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.319 1.225 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.517 1.671 -3.209 1.00 0.00 H new ATOM 309 N PHE A 30 -14.276 0.121 -1.810 1.00 0.00 N ATOM 310 CA PHE A 30 -13.376 -1.041 -1.794 1.00 0.00 C ATOM 311 C PHE A 30 -13.402 -1.728 -0.413 1.00 0.00 C ATOM 312 O PHE A 30 -12.505 -1.604 0.424 1.00 0.00 O ATOM 313 CB PHE A 30 -11.939 -0.607 -2.131 1.00 0.00 C ATOM 314 CG PHE A 30 -11.759 0.361 -3.297 1.00 0.00 C ATOM 315 CD1 PHE A 30 -12.029 -0.017 -4.629 1.00 0.00 C ATOM 316 CD2 PHE A 30 -11.164 1.616 -3.017 1.00 0.00 C ATOM 317 CE1 PHE A 30 -11.693 0.853 -5.689 1.00 0.00 C ATOM 318 CE2 PHE A 30 -10.835 2.484 -4.070 1.00 0.00 C ATOM 319 CZ PHE A 30 -11.101 2.096 -5.402 1.00 0.00 C ATOM 0 H PHE A 30 -13.822 0.992 -1.533 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.721 -1.750 -2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.507 -0.149 -1.241 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.356 -1.503 -2.343 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.492 -0.970 -4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.964 1.904 -1.996 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.889 0.566 -6.712 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.382 3.442 -3.863 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.846 2.764 -6.212 1.00 0.00 H new ATOM 321 N ASN A 31 -14.425 -2.554 -0.264 1.00 0.00 N ATOM 322 CA ASN A 31 -14.714 -3.324 0.969 1.00 0.00 C ATOM 323 C ASN A 31 -13.837 -4.568 1.221 1.00 0.00 C ATOM 324 O ASN A 31 -13.817 -5.091 2.341 1.00 0.00 O ATOM 325 CB ASN A 31 -16.190 -3.715 0.970 1.00 0.00 C ATOM 326 CG ASN A 31 -17.077 -2.546 1.422 1.00 0.00 C ATOM 327 OD1 ASN A 31 -17.561 -2.497 2.545 1.00 0.00 O ATOM 328 ND2 ASN A 31 -17.388 -1.616 0.541 1.00 0.00 N ATOM 0 H ASN A 31 -15.104 -2.723 -1.007 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.464 -2.655 1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.485 -4.032 -0.030 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.342 -4.567 1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.027 -0.864 0.798 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.989 -1.649 -0.397 1.00 0.00 H new ATOM 332 N ASN A 32 -13.014 -4.944 0.252 1.00 0.00 N ATOM 333 CA ASN A 32 -12.155 -6.138 0.346 1.00 0.00 C ATOM 334 C ASN A 32 -10.743 -5.737 0.796 1.00 0.00 C ATOM 335 O ASN A 32 -9.972 -5.129 0.059 1.00 0.00 O ATOM 336 CB ASN A 32 -12.141 -6.840 -1.010 1.00 0.00 C ATOM 337 CG ASN A 32 -11.675 -8.297 -0.932 1.00 0.00 C ATOM 338 OD1 ASN A 32 -10.966 -8.750 -0.037 1.00 0.00 O ATOM 339 ND2 ASN A 32 -12.105 -9.078 -1.902 1.00 0.00 N ATOM 0 H ASN A 32 -12.916 -4.435 -0.627 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.547 -6.830 1.091 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -13.143 -6.808 -1.438 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.487 -6.292 -1.688 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -11.850 -10.065 -1.913 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.693 -8.695 -2.642 1.00 0.00 H new ATOM 343 N VAL A 33 -10.537 -5.906 2.102 1.00 0.00 N ATOM 344 CA VAL A 33 -9.274 -5.570 2.786 1.00 0.00 C ATOM 345 C VAL A 33 -8.842 -6.708 3.735 1.00 0.00 C ATOM 346 O VAL A 33 -9.669 -7.430 4.299 1.00 0.00 O ATOM 347 CB VAL A 33 -9.441 -4.248 3.575 1.00 0.00 C ATOM 348 CG1 VAL A 33 -8.177 -3.833 4.340 1.00 0.00 C ATOM 349 CG2 VAL A 33 -9.828 -3.071 2.667 1.00 0.00 C ATOM 0 H VAL A 33 -11.247 -6.284 2.729 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.495 -5.443 2.034 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.241 -4.463 4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.363 -2.899 4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.913 -4.611 5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.356 -3.694 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.933 -2.167 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.052 -2.920 1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.774 -3.289 2.172 1.00 0.00 H new ATOM 351 N GLU A 34 -7.536 -6.942 3.765 1.00 0.00 N ATOM 352 CA GLU A 34 -6.865 -7.889 4.659 1.00 0.00 C ATOM 353 C GLU A 34 -5.791 -7.055 5.368 1.00 0.00 C ATOM 354 O GLU A 34 -5.359 -6.016 4.862 1.00 0.00 O ATOM 355 CB GLU A 34 -6.266 -9.012 3.805 1.00 0.00 C ATOM 356 CG GLU A 34 -6.419 -10.402 4.444 1.00 0.00 C ATOM 357 CD GLU A 34 -5.149 -10.948 5.111 1.00 0.00 C ATOM 358 OE1 GLU A 34 -4.469 -10.173 5.823 1.00 0.00 O ATOM 359 OE2 GLU A 34 -4.947 -12.180 5.005 1.00 0.00 O ATOM 0 H GLU A 34 -6.886 -6.460 3.144 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.521 -8.363 5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.748 -9.013 2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.208 -8.809 3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.213 -10.358 5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.740 -11.106 3.676 1.00 0.00 H new ATOM 361 N GLU A 35 -5.408 -7.463 6.574 1.00 0.00 N ATOM 362 CA GLU A 35 -4.414 -6.678 7.319 1.00 0.00 C ATOM 363 C GLU A 35 -3.186 -7.440 7.810 1.00 0.00 C ATOM 364 O GLU A 35 -3.251 -8.620 8.159 1.00 0.00 O ATOM 365 CB GLU A 35 -5.077 -5.956 8.502 1.00 0.00 C ATOM 366 CG GLU A 35 -6.132 -4.925 8.058 1.00 0.00 C ATOM 367 CD GLU A 35 -6.927 -4.316 9.222 1.00 0.00 C ATOM 368 OE1 GLU A 35 -7.091 -4.996 10.262 1.00 0.00 O ATOM 369 OE2 GLU A 35 -7.423 -3.186 9.016 1.00 0.00 O ATOM 0 H GLU A 35 -5.751 -8.299 7.047 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.032 -5.969 6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.547 -6.692 9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.310 -5.453 9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.636 -4.124 7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.826 -5.403 7.366 1.00 0.00 H new ATOM 371 N ALA A 36 -2.073 -6.717 7.732 1.00 0.00 N ATOM 372 CA ALA A 36 -0.730 -7.175 8.141 1.00 0.00 C ATOM 373 C ALA A 36 -0.082 -6.064 8.979 1.00 0.00 C ATOM 374 O ALA A 36 -0.400 -4.888 8.817 1.00 0.00 O ATOM 375 CB ALA A 36 0.108 -7.453 6.892 1.00 0.00 C ATOM 0 H ALA A 36 -2.071 -5.763 7.372 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.795 -8.090 8.729 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.101 -7.792 7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.375 -8.225 6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.197 -6.540 6.303 1.00 0.00 H new ATOM 377 N GLU A 37 0.890 -6.435 9.811 1.00 0.00 N ATOM 378 CA GLU A 37 1.546 -5.427 10.668 1.00 0.00 C ATOM 379 C GLU A 37 2.941 -4.959 10.244 1.00 0.00 C ATOM 380 O GLU A 37 3.279 -3.785 10.339 1.00 0.00 O ATOM 381 CB GLU A 37 1.512 -5.846 12.151 1.00 0.00 C ATOM 382 CG GLU A 37 2.240 -7.153 12.454 1.00 0.00 C ATOM 383 CD GLU A 37 3.274 -6.932 13.564 1.00 0.00 C ATOM 384 OE1 GLU A 37 4.416 -6.554 13.197 1.00 0.00 O ATOM 385 OE2 GLU A 37 2.916 -7.165 14.737 1.00 0.00 O ATOM 0 H GLU A 37 1.237 -7.388 9.915 1.00 0.00 H new ATOM 0 HA GLU A 37 0.935 -4.536 10.524 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.954 -5.051 12.751 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.473 -5.942 12.465 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.524 -7.916 12.760 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.733 -7.521 11.554 1.00 0.00 H new ATOM 387 N ASP A 38 3.710 -5.869 9.645 1.00 0.00 N ATOM 388 CA ASP A 38 5.093 -5.554 9.220 1.00 0.00 C ATOM 389 C ASP A 38 5.397 -6.162 7.843 1.00 0.00 C ATOM 390 O ASP A 38 4.731 -7.119 7.443 1.00 0.00 O ATOM 391 CB ASP A 38 6.077 -6.058 10.291 1.00 0.00 C ATOM 392 CG ASP A 38 6.173 -7.575 10.366 1.00 0.00 C ATOM 393 OD1 ASP A 38 5.222 -8.207 10.882 1.00 0.00 O ATOM 394 OD2 ASP A 38 7.109 -8.096 9.717 1.00 0.00 O ATOM 0 H ASP A 38 3.412 -6.823 9.441 1.00 0.00 H new ATOM 0 HA ASP A 38 5.205 -4.474 9.121 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.066 -5.650 10.084 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.770 -5.673 11.264 1.00 0.00 H new ATOM 396 N GLY A 39 6.581 -5.796 7.328 1.00 0.00 N ATOM 397 CA GLY A 39 7.105 -6.245 6.025 1.00 0.00 C ATOM 398 C GLY A 39 6.993 -7.749 5.750 1.00 0.00 C ATOM 399 O GLY A 39 6.227 -8.169 4.879 1.00 0.00 O ATOM 0 H GLY A 39 7.217 -5.165 7.816 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.576 -5.709 5.237 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.154 -5.958 5.957 1.00 0.00 H new ATOM 401 N VAL A 40 7.573 -8.548 6.644 1.00 0.00 N ATOM 402 CA VAL A 40 7.571 -10.026 6.525 1.00 0.00 C ATOM 403 C VAL A 40 6.128 -10.589 6.464 1.00 0.00 C ATOM 404 O VAL A 40 5.736 -11.125 5.434 1.00 0.00 O ATOM 405 CB VAL A 40 8.366 -10.713 7.657 1.00 0.00 C ATOM 406 CG1 VAL A 40 8.454 -12.229 7.400 1.00 0.00 C ATOM 407 CG2 VAL A 40 9.791 -10.163 7.782 1.00 0.00 C ATOM 0 H VAL A 40 8.059 -8.202 7.472 1.00 0.00 H new ATOM 0 HA VAL A 40 8.074 -10.255 5.586 1.00 0.00 H new ATOM 0 HB VAL A 40 7.831 -10.508 8.584 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.017 -12.702 8.205 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.450 -12.651 7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.958 -12.408 6.450 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.310 -10.677 8.591 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.327 -10.325 6.847 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.751 -9.095 7.997 1.00 0.00 H new ATOM 409 N ASP A 41 5.323 -10.216 7.461 1.00 0.00 N ATOM 410 CA ASP A 41 3.912 -10.641 7.586 1.00 0.00 C ATOM 411 C ASP A 41 3.115 -10.379 6.295 1.00 0.00 C ATOM 412 O ASP A 41 2.470 -11.292 5.759 1.00 0.00 O ATOM 413 CB ASP A 41 3.352 -9.849 8.774 1.00 0.00 C ATOM 414 CG ASP A 41 2.016 -10.333 9.320 1.00 0.00 C ATOM 415 OD1 ASP A 41 1.835 -11.566 9.442 1.00 0.00 O ATOM 416 OD2 ASP A 41 1.259 -9.417 9.721 1.00 0.00 O ATOM 0 H ASP A 41 5.628 -9.603 8.217 1.00 0.00 H new ATOM 0 HA ASP A 41 3.833 -11.716 7.750 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.084 -9.874 9.581 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.245 -8.807 8.474 1.00 0.00 H new ATOM 418 N ALA A 42 3.384 -9.223 5.696 1.00 0.00 N ATOM 419 CA ALA A 42 2.757 -8.769 4.442 1.00 0.00 C ATOM 420 C ALA A 42 3.095 -9.674 3.248 1.00 0.00 C ATOM 421 O ALA A 42 2.187 -10.198 2.620 1.00 0.00 O ATOM 422 CB ALA A 42 3.205 -7.339 4.166 1.00 0.00 C ATOM 0 H ALA A 42 4.058 -8.555 6.071 1.00 0.00 H new ATOM 0 HA ALA A 42 1.675 -8.816 4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.749 -6.987 3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.896 -6.696 4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.290 -7.310 4.070 1.00 0.00 H new ATOM 424 N LEU A 43 4.388 -9.936 3.046 1.00 0.00 N ATOM 425 CA LEU A 43 4.894 -10.807 1.952 1.00 0.00 C ATOM 426 C LEU A 43 4.236 -12.198 1.968 1.00 0.00 C ATOM 427 O LEU A 43 3.740 -12.655 0.933 1.00 0.00 O ATOM 428 CB LEU A 43 6.412 -11.004 2.041 1.00 0.00 C ATOM 429 CG LEU A 43 7.207 -9.824 1.470 1.00 0.00 C ATOM 430 CD1 LEU A 43 8.633 -9.873 1.997 1.00 0.00 C ATOM 431 CD2 LEU A 43 7.223 -9.831 -0.073 1.00 0.00 C ATOM 0 H LEU A 43 5.128 -9.553 3.634 1.00 0.00 H new ATOM 0 HA LEU A 43 4.638 -10.292 1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.692 -11.152 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.686 -11.912 1.505 1.00 0.00 H new ATOM 0 HG LEU A 43 6.717 -8.904 1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.200 -9.035 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.621 -9.811 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.102 -10.809 1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.797 -8.978 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.682 -10.754 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.202 -9.766 -0.448 1.00 0.00 H new ATOM 433 N ASN A 44 4.192 -12.795 3.162 1.00 0.00 N ATOM 434 CA ASN A 44 3.563 -14.099 3.429 1.00 0.00 C ATOM 435 C ASN A 44 2.086 -14.075 3.002 1.00 0.00 C ATOM 436 O ASN A 44 1.660 -14.808 2.122 1.00 0.00 O ATOM 437 CB ASN A 44 3.645 -14.422 4.924 1.00 0.00 C ATOM 438 CG ASN A 44 5.067 -14.664 5.445 1.00 0.00 C ATOM 439 OD1 ASN A 44 5.719 -13.790 5.990 1.00 0.00 O ATOM 440 ND2 ASN A 44 5.583 -15.869 5.279 1.00 0.00 N ATOM 0 H ASN A 44 4.604 -12.376 3.996 1.00 0.00 H new ATOM 0 HA ASN A 44 4.093 -14.862 2.858 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.201 -13.600 5.485 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.042 -15.308 5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.528 -16.069 5.607 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.036 -16.599 4.823 1.00 0.00 H new ATOM 444 N LYS A 45 1.373 -13.093 3.564 1.00 0.00 N ATOM 445 CA LYS A 45 -0.060 -12.842 3.304 1.00 0.00 C ATOM 446 C LYS A 45 -0.405 -12.582 1.836 1.00 0.00 C ATOM 447 O LYS A 45 -1.367 -13.142 1.315 1.00 0.00 O ATOM 448 CB LYS A 45 -0.536 -11.682 4.187 1.00 0.00 C ATOM 449 CG LYS A 45 -0.815 -12.194 5.593 1.00 0.00 C ATOM 450 CD LYS A 45 -1.023 -11.048 6.587 1.00 0.00 C ATOM 451 CE LYS A 45 -1.274 -11.571 8.001 1.00 0.00 C ATOM 452 NZ LYS A 45 -2.710 -11.517 8.302 1.00 0.00 N ATOM 0 H LYS A 45 1.779 -12.433 4.227 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.587 -13.762 3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.222 -10.900 4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.437 -11.236 3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.702 -12.828 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.017 -12.816 5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.145 -10.402 6.588 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.868 -10.438 6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.913 -12.596 8.089 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.719 -10.973 8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.880 -11.905 9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.035 -10.530 8.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.233 -12.078 7.600 1.00 0.00 H new ATOM 457 N LEU A 46 0.467 -11.839 1.151 1.00 0.00 N ATOM 458 CA LEU A 46 0.314 -11.507 -0.281 1.00 0.00 C ATOM 459 C LEU A 46 0.229 -12.716 -1.220 1.00 0.00 C ATOM 460 O LEU A 46 -0.598 -12.723 -2.139 1.00 0.00 O ATOM 461 CB LEU A 46 1.413 -10.541 -0.725 1.00 0.00 C ATOM 462 CG LEU A 46 1.114 -9.104 -0.283 1.00 0.00 C ATOM 463 CD1 LEU A 46 2.366 -8.247 -0.415 1.00 0.00 C ATOM 464 CD2 LEU A 46 -0.035 -8.499 -1.099 1.00 0.00 C ATOM 0 H LEU A 46 1.308 -11.444 1.571 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.659 -11.023 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.368 -10.859 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.512 -10.575 -1.810 1.00 0.00 H new ATOM 0 HG LEU A 46 0.805 -9.127 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.144 -7.228 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.156 -8.658 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.695 -8.241 -1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.223 -7.480 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.235 -8.488 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.935 -9.099 -0.961 1.00 0.00 H new ATOM 466 N GLN A 47 0.902 -13.793 -0.830 1.00 0.00 N ATOM 467 CA GLN A 47 0.941 -15.073 -1.573 1.00 0.00 C ATOM 468 C GLN A 47 -0.445 -15.710 -1.799 1.00 0.00 C ATOM 469 O GLN A 47 -0.626 -16.473 -2.738 1.00 0.00 O ATOM 470 CB GLN A 47 1.849 -16.092 -0.870 1.00 0.00 C ATOM 471 CG GLN A 47 3.294 -15.616 -0.649 1.00 0.00 C ATOM 472 CD GLN A 47 4.033 -15.250 -1.942 1.00 0.00 C ATOM 473 OE1 GLN A 47 4.162 -16.017 -2.883 1.00 0.00 O ATOM 474 NE2 GLN A 47 4.556 -14.047 -1.973 1.00 0.00 N ATOM 0 H GLN A 47 1.452 -13.813 0.029 1.00 0.00 H new ATOM 0 HA GLN A 47 1.343 -14.817 -2.553 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.411 -16.343 0.096 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.868 -17.009 -1.459 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.283 -14.748 0.010 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.850 -16.400 -0.134 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.438 -13.419 -1.178 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.080 -13.740 -2.792 1.00 0.00 H new ATOM 478 N ALA A 48 -1.415 -15.341 -0.960 1.00 0.00 N ATOM 479 CA ALA A 48 -2.819 -15.827 -1.045 1.00 0.00 C ATOM 480 C ALA A 48 -3.517 -15.466 -2.367 1.00 0.00 C ATOM 481 O ALA A 48 -4.436 -16.165 -2.803 1.00 0.00 O ATOM 482 CB ALA A 48 -3.609 -15.269 0.136 1.00 0.00 C ATOM 0 H ALA A 48 -1.260 -14.690 -0.190 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.786 -16.916 -1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.640 -15.620 0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.158 -15.609 1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.594 -14.180 0.102 1.00 0.00 H new ATOM 484 N GLY A 49 -3.057 -14.379 -2.988 1.00 0.00 N ATOM 485 CA GLY A 49 -3.594 -13.861 -4.265 1.00 0.00 C ATOM 486 C GLY A 49 -4.774 -12.899 -4.085 1.00 0.00 C ATOM 487 O GLY A 49 -5.119 -12.490 -2.976 1.00 0.00 O ATOM 0 H GLY A 49 -2.289 -13.819 -2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.797 -13.349 -4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.910 -14.700 -4.884 1.00 0.00 H new ATOM 489 N GLY A 50 -5.204 -12.366 -5.226 1.00 0.00 N ATOM 490 CA GLY A 50 -6.333 -11.420 -5.328 1.00 0.00 C ATOM 491 C GLY A 50 -5.981 -9.954 -5.019 1.00 0.00 C ATOM 492 O GLY A 50 -6.648 -9.039 -5.508 1.00 0.00 O ATOM 0 H GLY A 50 -4.776 -12.578 -6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.744 -11.475 -6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.120 -11.741 -4.645 1.00 0.00 H new ATOM 494 N TYR A 51 -4.962 -9.753 -4.184 1.00 0.00 N ATOM 495 CA TYR A 51 -4.480 -8.415 -3.775 1.00 0.00 C ATOM 496 C TYR A 51 -3.979 -7.587 -4.958 1.00 0.00 C ATOM 497 O TYR A 51 -2.936 -7.885 -5.552 1.00 0.00 O ATOM 498 CB TYR A 51 -3.364 -8.520 -2.742 1.00 0.00 C ATOM 499 CG TYR A 51 -3.746 -9.346 -1.515 1.00 0.00 C ATOM 500 CD1 TYR A 51 -4.505 -8.752 -0.491 1.00 0.00 C ATOM 501 CD2 TYR A 51 -3.203 -10.644 -1.385 1.00 0.00 C ATOM 502 CE1 TYR A 51 -4.698 -9.456 0.713 1.00 0.00 C ATOM 503 CE2 TYR A 51 -3.400 -11.338 -0.183 1.00 0.00 C ATOM 504 CZ TYR A 51 -4.126 -10.731 0.862 1.00 0.00 C ATOM 505 OH TYR A 51 -4.100 -11.311 2.085 1.00 0.00 O ATOM 0 H TYR A 51 -4.435 -10.518 -3.762 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.341 -7.909 -3.338 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.486 -8.965 -3.211 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.081 -7.517 -2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.934 -7.770 -0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.647 -11.092 -2.195 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.279 -9.021 1.513 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.998 -12.332 -0.058 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.673 -12.191 2.021 1.00 0.00 H new ATOM 508 N GLY A 52 -4.776 -6.583 -5.277 1.00 0.00 N ATOM 509 CA GLY A 52 -4.467 -5.640 -6.368 1.00 0.00 C ATOM 510 C GLY A 52 -3.863 -4.326 -5.836 1.00 0.00 C ATOM 511 O GLY A 52 -3.941 -3.312 -6.526 1.00 0.00 O ATOM 0 H GLY A 52 -5.655 -6.388 -4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.769 -6.105 -7.064 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.376 -5.421 -6.928 1.00 0.00 H new ATOM 513 N PHE A 53 -3.408 -4.353 -4.575 1.00 0.00 N ATOM 514 CA PHE A 53 -2.798 -3.200 -3.888 1.00 0.00 C ATOM 515 C PHE A 53 -2.221 -3.538 -2.505 1.00 0.00 C ATOM 516 O PHE A 53 -2.839 -4.235 -1.691 1.00 0.00 O ATOM 517 CB PHE A 53 -3.857 -2.116 -3.668 1.00 0.00 C ATOM 518 CG PHE A 53 -3.368 -0.719 -4.055 1.00 0.00 C ATOM 519 CD1 PHE A 53 -2.329 -0.100 -3.330 1.00 0.00 C ATOM 520 CD2 PHE A 53 -4.002 -0.078 -5.134 1.00 0.00 C ATOM 521 CE1 PHE A 53 -1.904 1.188 -3.713 1.00 0.00 C ATOM 522 CE2 PHE A 53 -3.585 1.208 -5.510 1.00 0.00 C ATOM 523 CZ PHE A 53 -2.532 1.831 -4.799 1.00 0.00 C ATOM 0 H PHE A 53 -3.453 -5.189 -3.992 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.983 -2.872 -4.533 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.745 -2.359 -4.251 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.155 -2.114 -2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.866 -0.605 -2.495 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.801 -0.570 -5.668 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.104 1.678 -3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.063 1.717 -6.334 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.204 2.817 -5.094 1.00 0.00 H new ATOM 525 N VAL A 54 -1.079 -2.915 -2.246 1.00 0.00 N ATOM 526 CA VAL A 54 -0.336 -3.028 -0.977 1.00 0.00 C ATOM 527 C VAL A 54 -0.157 -1.622 -0.399 1.00 0.00 C ATOM 528 O VAL A 54 0.564 -0.777 -0.942 1.00 0.00 O ATOM 529 CB VAL A 54 1.051 -3.690 -1.138 1.00 0.00 C ATOM 530 CG1 VAL A 54 1.668 -4.014 0.230 1.00 0.00 C ATOM 531 CG2 VAL A 54 0.977 -4.992 -1.925 1.00 0.00 C ATOM 0 H VAL A 54 -0.625 -2.300 -2.922 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.914 -3.670 -0.312 1.00 0.00 H new ATOM 0 HB VAL A 54 1.666 -2.970 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.644 -4.479 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.784 -3.094 0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.015 -4.699 0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.975 -5.421 -2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.324 -5.694 -1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.579 -4.794 -2.920 1.00 0.00 H new ATOM 533 N ILE A 55 -0.840 -1.401 0.714 1.00 0.00 N ATOM 534 CA ILE A 55 -0.802 -0.124 1.458 1.00 0.00 C ATOM 535 C ILE A 55 0.150 -0.378 2.630 1.00 0.00 C ATOM 536 O ILE A 55 -0.189 -1.096 3.563 1.00 0.00 O ATOM 537 CB ILE A 55 -2.236 0.298 1.856 1.00 0.00 C ATOM 538 CG1 ILE A 55 -3.020 0.727 0.601 1.00 0.00 C ATOM 539 CG2 ILE A 55 -2.218 1.382 2.948 1.00 0.00 C ATOM 540 CD1 ILE A 55 -4.507 1.005 0.849 1.00 0.00 C ATOM 0 H ILE A 55 -1.446 -2.102 1.141 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.432 0.721 0.878 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.753 -0.557 2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.559 1.624 0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.930 -0.054 -0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.241 1.656 3.205 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.712 0.998 3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.688 2.261 2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.983 1.301 -0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.987 0.104 1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.610 1.808 1.578 1.00 0.00 H new ATOM 542 N SER A 56 1.387 0.111 2.500 1.00 0.00 N ATOM 543 CA SER A 56 2.414 -0.101 3.531 1.00 0.00 C ATOM 544 C SER A 56 3.007 1.140 4.200 1.00 0.00 C ATOM 545 O SER A 56 3.455 2.093 3.556 1.00 0.00 O ATOM 546 CB SER A 56 3.529 -1.009 3.007 1.00 0.00 C ATOM 547 OG SER A 56 4.603 -1.102 3.962 1.00 0.00 O ATOM 0 H SER A 56 1.703 0.654 1.696 1.00 0.00 H new ATOM 0 HA SER A 56 1.859 -0.582 4.336 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.130 -2.003 2.804 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.909 -0.619 2.063 1.00 0.00 H new ATOM 0 HG SER A 56 4.245 -0.998 4.868 1.00 0.00 H new ATOM 550 N ASP A 57 2.968 1.085 5.518 1.00 0.00 N ATOM 551 CA ASP A 57 3.503 2.155 6.378 1.00 0.00 C ATOM 552 C ASP A 57 5.044 2.122 6.382 1.00 0.00 C ATOM 553 O ASP A 57 5.642 1.086 6.656 1.00 0.00 O ATOM 554 CB ASP A 57 2.954 2.014 7.792 1.00 0.00 C ATOM 555 CG ASP A 57 3.067 3.350 8.528 1.00 0.00 C ATOM 556 OD1 ASP A 57 4.187 3.666 8.998 1.00 0.00 O ATOM 557 OD2 ASP A 57 2.049 4.075 8.523 1.00 0.00 O ATOM 0 H ASP A 57 2.567 0.302 6.035 1.00 0.00 H new ATOM 0 HA ASP A 57 3.186 3.119 5.980 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.912 1.695 7.757 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.506 1.244 8.331 1.00 0.00 H new ATOM 559 N TRP A 58 5.630 3.298 6.191 1.00 0.00 N ATOM 560 CA TRP A 58 7.098 3.482 6.163 1.00 0.00 C ATOM 561 C TRP A 58 7.800 2.927 7.415 1.00 0.00 C ATOM 562 O TRP A 58 8.701 2.090 7.317 1.00 0.00 O ATOM 563 CB TRP A 58 7.410 4.975 6.017 1.00 0.00 C ATOM 564 CG TRP A 58 8.800 5.208 5.405 1.00 0.00 C ATOM 565 CD1 TRP A 58 9.967 5.209 6.038 1.00 0.00 C ATOM 566 CD2 TRP A 58 9.054 5.416 4.054 1.00 0.00 C ATOM 567 NE1 TRP A 58 10.962 5.391 5.161 1.00 0.00 N ATOM 568 CE2 TRP A 58 10.458 5.530 3.943 1.00 0.00 C ATOM 569 CE3 TRP A 58 8.237 5.465 2.907 1.00 0.00 C ATOM 570 CZ2 TRP A 58 11.055 5.706 2.671 1.00 0.00 C ATOM 571 CZ3 TRP A 58 8.841 5.623 1.649 1.00 0.00 C ATOM 572 CH2 TRP A 58 10.245 5.737 1.538 1.00 0.00 C ATOM 0 H TRP A 58 5.108 4.163 6.049 1.00 0.00 H new ATOM 0 HA TRP A 58 7.481 2.918 5.313 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.653 5.445 5.390 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.358 5.455 6.994 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.095 5.082 7.103 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.955 5.418 5.394 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.164 5.382 2.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.126 5.815 2.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.228 5.658 0.760 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.696 5.850 0.563 1.00 0.00 H new ATOM 575 N ASN A 59 7.196 3.222 8.568 1.00 0.00 N ATOM 576 CA ASN A 59 7.711 2.804 9.883 1.00 0.00 C ATOM 577 C ASN A 59 7.053 1.475 10.299 1.00 0.00 C ATOM 578 O ASN A 59 5.881 1.427 10.680 1.00 0.00 O ATOM 579 CB ASN A 59 7.420 3.930 10.876 1.00 0.00 C ATOM 580 CG ASN A 59 8.123 3.721 12.220 1.00 0.00 C ATOM 581 OD1 ASN A 59 9.331 3.528 12.311 1.00 0.00 O ATOM 582 ND2 ASN A 59 7.363 3.720 13.292 1.00 0.00 N ATOM 0 H ASN A 59 6.331 3.760 8.621 1.00 0.00 H new ATOM 0 HA ASN A 59 8.786 2.629 9.853 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.738 4.880 10.447 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.344 3.998 11.039 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.777 3.558 14.210 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.360 3.881 13.206 1.00 0.00 H new ATOM 586 N MET A 60 7.803 0.395 10.082 1.00 0.00 N ATOM 587 CA MET A 60 7.390 -0.987 10.406 1.00 0.00 C ATOM 588 C MET A 60 8.545 -1.814 10.991 1.00 0.00 C ATOM 589 O MET A 60 9.674 -1.713 10.501 1.00 0.00 O ATOM 590 CB MET A 60 6.786 -1.664 9.160 1.00 0.00 C ATOM 591 CG MET A 60 5.391 -1.146 8.846 1.00 0.00 C ATOM 592 SD MET A 60 4.481 -1.994 7.497 1.00 0.00 S ATOM 593 CE MET A 60 5.757 -2.541 6.386 1.00 0.00 C ATOM 0 H MET A 60 8.734 0.448 9.668 1.00 0.00 H new ATOM 0 HA MET A 60 6.625 -0.936 11.180 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.437 -1.492 8.303 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.745 -2.742 9.318 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.792 -1.211 9.754 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.470 -0.089 8.591 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.303 -2.968 5.492 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.383 -1.694 6.106 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.368 -3.297 6.878 1.00 0.00 H new ATOM 595 N PRO A 61 8.288 -2.613 12.049 1.00 0.00 N ATOM 596 CA PRO A 61 9.308 -3.443 12.717 1.00 0.00 C ATOM 597 C PRO A 61 9.904 -4.517 11.803 1.00 0.00 C ATOM 598 O PRO A 61 9.193 -5.127 10.998 1.00 0.00 O ATOM 599 CB PRO A 61 8.581 -4.065 13.915 1.00 0.00 C ATOM 600 CG PRO A 61 7.124 -4.097 13.491 1.00 0.00 C ATOM 601 CD PRO A 61 6.964 -2.821 12.675 1.00 0.00 C ATOM 0 HA PRO A 61 10.167 -2.841 13.014 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.955 -5.066 14.132 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.720 -3.470 14.818 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.898 -4.983 12.899 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.455 -4.110 14.352 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.182 -2.926 11.923 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.687 -1.978 13.307 1.00 0.00 H new ATOM 602 N ASN A 62 11.197 -4.757 12.032 1.00 0.00 N ATOM 603 CA ASN A 62 12.052 -5.717 11.302 1.00 0.00 C ATOM 604 C ASN A 62 12.246 -5.325 9.822 1.00 0.00 C ATOM 605 O ASN A 62 13.268 -4.744 9.472 1.00 0.00 O ATOM 606 CB ASN A 62 11.593 -7.177 11.472 1.00 0.00 C ATOM 607 CG ASN A 62 11.656 -7.636 12.938 1.00 0.00 C ATOM 608 OD1 ASN A 62 12.395 -7.121 13.769 1.00 0.00 O ATOM 609 ND2 ASN A 62 10.805 -8.558 13.319 1.00 0.00 N ATOM 0 H ASN A 62 11.708 -4.267 12.766 1.00 0.00 H new ATOM 0 HA ASN A 62 13.036 -5.658 11.767 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.572 -7.281 11.104 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.220 -7.827 10.862 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.763 -8.840 14.298 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.185 -8.993 12.636 1.00 0.00 H new ATOM 613 N MET A 63 11.169 -5.428 9.046 1.00 0.00 N ATOM 614 CA MET A 63 11.166 -5.073 7.621 1.00 0.00 C ATOM 615 C MET A 63 10.185 -3.896 7.434 1.00 0.00 C ATOM 616 O MET A 63 8.980 -4.039 7.641 1.00 0.00 O ATOM 617 CB MET A 63 10.765 -6.305 6.813 1.00 0.00 C ATOM 618 CG MET A 63 10.865 -6.087 5.304 1.00 0.00 C ATOM 619 SD MET A 63 10.353 -7.530 4.298 1.00 0.00 S ATOM 620 CE MET A 63 11.816 -8.544 4.429 1.00 0.00 C ATOM 0 H MET A 63 10.267 -5.761 9.386 1.00 0.00 H new ATOM 0 HA MET A 63 12.149 -4.759 7.270 1.00 0.00 H new ATOM 0 HB2 MET A 63 11.403 -7.142 7.097 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.742 -6.583 7.068 1.00 0.00 H new ATOM 0 HG2 MET A 63 10.248 -5.231 5.031 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.894 -5.831 5.053 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.670 -9.467 3.869 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.671 -8.004 4.022 1.00 0.00 H new ATOM 0 HE3 MET A 63 12.002 -8.781 5.477 1.00 0.00 H new ATOM 622 N ASP A 64 10.789 -2.709 7.348 1.00 0.00 N ATOM 623 CA ASP A 64 10.057 -1.430 7.161 1.00 0.00 C ATOM 624 C ASP A 64 9.329 -1.337 5.800 1.00 0.00 C ATOM 625 O ASP A 64 9.668 -2.100 4.891 1.00 0.00 O ATOM 626 CB ASP A 64 11.007 -0.238 7.406 1.00 0.00 C ATOM 627 CG ASP A 64 12.091 -0.054 6.331 1.00 0.00 C ATOM 628 OD1 ASP A 64 11.706 0.314 5.198 1.00 0.00 O ATOM 629 OD2 ASP A 64 13.260 -0.368 6.632 1.00 0.00 O ATOM 0 H ASP A 64 11.801 -2.595 7.405 1.00 0.00 H new ATOM 0 HA ASP A 64 9.261 -1.394 7.905 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.415 0.675 7.467 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.491 -0.369 8.374 1.00 0.00 H new ATOM 631 N GLY A 65 8.543 -0.280 5.621 1.00 0.00 N ATOM 632 CA GLY A 65 7.765 -0.008 4.394 1.00 0.00 C ATOM 633 C GLY A 65 8.574 -0.042 3.091 1.00 0.00 C ATOM 634 O GLY A 65 8.337 -0.876 2.218 1.00 0.00 O ATOM 0 H GLY A 65 8.419 0.436 6.337 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.960 -0.739 4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.298 0.972 4.488 1.00 0.00 H new ATOM 636 N LEU A 66 9.636 0.760 3.058 1.00 0.00 N ATOM 637 CA LEU A 66 10.549 0.856 1.907 1.00 0.00 C ATOM 638 C LEU A 66 11.206 -0.508 1.574 1.00 0.00 C ATOM 639 O LEU A 66 11.218 -0.934 0.425 1.00 0.00 O ATOM 640 CB LEU A 66 11.571 1.951 2.249 1.00 0.00 C ATOM 641 CG LEU A 66 12.621 2.186 1.172 1.00 0.00 C ATOM 642 CD1 LEU A 66 12.050 2.592 -0.185 1.00 0.00 C ATOM 643 CD2 LEU A 66 13.589 3.288 1.620 1.00 0.00 C ATOM 0 H LEU A 66 9.895 1.370 3.834 1.00 0.00 H new ATOM 0 HA LEU A 66 10.009 1.123 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.039 2.885 2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.074 1.685 3.179 1.00 0.00 H new ATOM 0 HG LEU A 66 13.121 1.226 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.865 2.739 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.389 1.807 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.488 3.520 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.338 3.451 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.035 4.211 1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.083 2.985 2.544 1.00 0.00 H new ATOM 645 N GLU A 67 11.572 -1.239 2.624 1.00 0.00 N ATOM 646 CA GLU A 67 12.170 -2.583 2.494 1.00 0.00 C ATOM 647 C GLU A 67 11.176 -3.614 1.929 1.00 0.00 C ATOM 648 O GLU A 67 11.551 -4.496 1.160 1.00 0.00 O ATOM 649 CB GLU A 67 12.675 -3.034 3.859 1.00 0.00 C ATOM 650 CG GLU A 67 14.148 -3.437 3.772 1.00 0.00 C ATOM 651 CD GLU A 67 14.625 -4.039 5.094 1.00 0.00 C ATOM 652 OE1 GLU A 67 14.316 -3.438 6.153 1.00 0.00 O ATOM 653 OE2 GLU A 67 15.258 -5.111 5.024 1.00 0.00 O ATOM 0 H GLU A 67 11.467 -0.926 3.589 1.00 0.00 H new ATOM 0 HA GLU A 67 12.996 -2.519 1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.553 -2.229 4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.081 -3.876 4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.285 -4.160 2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.754 -2.566 3.524 1.00 0.00 H new ATOM 655 N LEU A 68 9.928 -3.516 2.380 1.00 0.00 N ATOM 656 CA LEU A 68 8.808 -4.365 1.905 1.00 0.00 C ATOM 657 C LEU A 68 8.598 -4.166 0.392 1.00 0.00 C ATOM 658 O LEU A 68 8.667 -5.117 -0.379 1.00 0.00 O ATOM 659 CB LEU A 68 7.546 -4.041 2.721 1.00 0.00 C ATOM 660 CG LEU A 68 6.298 -4.789 2.225 1.00 0.00 C ATOM 661 CD1 LEU A 68 6.448 -6.309 2.280 1.00 0.00 C ATOM 662 CD2 LEU A 68 5.087 -4.360 3.051 1.00 0.00 C ATOM 0 H LEU A 68 9.650 -2.842 3.093 1.00 0.00 H new ATOM 0 HA LEU A 68 9.042 -5.419 2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.722 -4.294 3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.359 -2.968 2.679 1.00 0.00 H new ATOM 0 HG LEU A 68 6.161 -4.524 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.534 -6.778 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.286 -6.615 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.631 -6.620 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.201 -4.890 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.260 -4.597 4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.934 -3.286 2.942 1.00 0.00 H new ATOM 664 N LEU A 69 8.610 -2.902 -0.010 1.00 0.00 N ATOM 665 CA LEU A 69 8.489 -2.472 -1.411 1.00 0.00 C ATOM 666 C LEU A 69 9.511 -3.188 -2.320 1.00 0.00 C ATOM 667 O LEU A 69 9.109 -3.903 -3.243 1.00 0.00 O ATOM 668 CB LEU A 69 8.620 -0.939 -1.335 1.00 0.00 C ATOM 669 CG LEU A 69 8.977 -0.189 -2.623 1.00 0.00 C ATOM 670 CD1 LEU A 69 8.018 -0.491 -3.771 1.00 0.00 C ATOM 671 CD2 LEU A 69 9.019 1.302 -2.306 1.00 0.00 C ATOM 0 H LEU A 69 8.706 -2.122 0.640 1.00 0.00 H new ATOM 0 HA LEU A 69 7.544 -2.744 -1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.675 -0.540 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.379 -0.704 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 69 9.953 -0.529 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.322 0.069 -4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.039 -1.558 -3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.007 -0.199 -3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.272 1.859 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.043 1.624 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.772 1.490 -1.541 1.00 0.00 H new ATOM 673 N LYS A 70 10.751 -3.243 -1.845 1.00 0.00 N ATOM 674 CA LYS A 70 11.869 -3.934 -2.527 1.00 0.00 C ATOM 675 C LYS A 70 11.616 -5.444 -2.726 1.00 0.00 C ATOM 676 O LYS A 70 11.665 -5.930 -3.858 1.00 0.00 O ATOM 677 CB LYS A 70 13.156 -3.764 -1.715 1.00 0.00 C ATOM 678 CG LYS A 70 13.577 -2.302 -1.581 1.00 0.00 C ATOM 679 CD LYS A 70 14.765 -2.193 -0.627 1.00 0.00 C ATOM 680 CE LYS A 70 15.244 -0.744 -0.527 1.00 0.00 C ATOM 681 NZ LYS A 70 16.393 -0.693 0.387 1.00 0.00 N ATOM 0 H LYS A 70 11.024 -2.807 -0.964 1.00 0.00 H new ATOM 0 HA LYS A 70 11.959 -3.476 -3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.013 -4.190 -0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.959 -4.327 -2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.845 -1.900 -2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.744 -1.706 -1.209 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.480 -2.556 0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.579 -2.827 -0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.526 -0.370 -1.511 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.441 -0.104 -0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.731 0.287 0.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.105 -1.036 1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.157 -1.294 0.018 1.00 0.00 H new ATOM 686 N THR A 71 11.178 -6.116 -1.662 1.00 0.00 N ATOM 687 CA THR A 71 10.868 -7.573 -1.660 1.00 0.00 C ATOM 688 C THR A 71 9.740 -7.907 -2.653 1.00 0.00 C ATOM 689 O THR A 71 9.872 -8.867 -3.423 1.00 0.00 O ATOM 690 CB THR A 71 10.684 -8.136 -0.264 1.00 0.00 C ATOM 691 OG1 THR A 71 10.312 -7.137 0.698 1.00 0.00 O ATOM 692 CG2 THR A 71 11.933 -8.894 0.163 1.00 0.00 C ATOM 0 H THR A 71 11.021 -5.671 -0.757 1.00 0.00 H new ATOM 0 HA THR A 71 11.745 -8.102 -2.032 1.00 0.00 H new ATOM 0 HB THR A 71 9.847 -8.833 -0.301 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.645 -6.537 0.305 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.790 -9.294 1.167 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.116 -9.714 -0.532 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.788 -8.218 0.160 1.00 0.00 H new ATOM 695 N ILE A 72 8.748 -7.028 -2.742 1.00 0.00 N ATOM 696 CA ILE A 72 7.599 -7.164 -3.681 1.00 0.00 C ATOM 697 C ILE A 72 8.096 -7.001 -5.125 1.00 0.00 C ATOM 698 O ILE A 72 7.938 -7.910 -5.944 1.00 0.00 O ATOM 699 CB ILE A 72 6.489 -6.147 -3.347 1.00 0.00 C ATOM 700 CG1 ILE A 72 6.013 -6.303 -1.896 1.00 0.00 C ATOM 701 CG2 ILE A 72 5.295 -6.302 -4.307 1.00 0.00 C ATOM 702 CD1 ILE A 72 5.268 -5.068 -1.374 1.00 0.00 C ATOM 0 H ILE A 72 8.702 -6.187 -2.167 1.00 0.00 H new ATOM 0 HA ILE A 72 7.164 -8.158 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 72 6.912 -5.150 -3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.359 -7.172 -1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.873 -6.499 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.525 -5.574 -4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.627 -6.134 -5.331 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.886 -7.308 -4.219 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.957 -5.239 -0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.928 -4.201 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.389 -4.885 -1.993 1.00 0.00 H new ATOM 704 N ARG A 73 8.770 -5.882 -5.376 1.00 0.00 N ATOM 705 CA ARG A 73 9.352 -5.499 -6.687 1.00 0.00 C ATOM 706 C ARG A 73 10.279 -6.595 -7.247 1.00 0.00 C ATOM 707 O ARG A 73 10.214 -6.933 -8.430 1.00 0.00 O ATOM 708 CB ARG A 73 10.025 -4.130 -6.609 1.00 0.00 C ATOM 709 CG ARG A 73 8.973 -3.025 -6.448 1.00 0.00 C ATOM 710 CD ARG A 73 8.040 -2.947 -7.655 1.00 0.00 C ATOM 711 NE ARG A 73 6.849 -2.121 -7.369 1.00 0.00 N ATOM 712 CZ ARG A 73 5.621 -2.570 -7.121 1.00 0.00 C ATOM 713 NH1 ARG A 73 5.373 -3.826 -6.758 1.00 0.00 N ATOM 714 NH2 ARG A 73 4.619 -1.707 -7.054 1.00 0.00 N ATOM 0 H ARG A 73 8.940 -5.182 -4.654 1.00 0.00 H new ATOM 0 HA ARG A 73 8.536 -5.407 -7.403 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.718 -4.106 -5.768 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.611 -3.954 -7.511 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.387 -3.210 -5.548 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.472 -2.066 -6.312 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.578 -2.528 -8.505 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.727 -3.952 -7.939 1.00 0.00 H new ATOM 0 HE ARG A 73 6.981 -1.110 -7.361 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.141 -4.490 -6.660 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.415 -4.125 -6.578 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.793 -0.711 -7.192 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.673 -2.038 -6.865 1.00 0.00 H new ATOM 721 N ALA A 74 11.077 -7.187 -6.367 1.00 0.00 N ATOM 722 CA ALA A 74 12.014 -8.287 -6.679 1.00 0.00 C ATOM 723 C ALA A 74 11.321 -9.624 -7.020 1.00 0.00 C ATOM 724 O ALA A 74 11.802 -10.406 -7.842 1.00 0.00 O ATOM 725 CB ALA A 74 12.959 -8.501 -5.487 1.00 0.00 C ATOM 0 H ALA A 74 11.099 -6.915 -5.384 1.00 0.00 H new ATOM 0 HA ALA A 74 12.559 -7.983 -7.572 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.652 -9.312 -5.713 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.520 -7.586 -5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.376 -8.758 -4.602 1.00 0.00 H new ATOM 727 N ASP A 75 10.151 -9.842 -6.419 1.00 0.00 N ATOM 728 CA ASP A 75 9.354 -11.060 -6.612 1.00 0.00 C ATOM 729 C ASP A 75 8.488 -10.939 -7.883 1.00 0.00 C ATOM 730 O ASP A 75 7.365 -10.442 -7.830 1.00 0.00 O ATOM 731 CB ASP A 75 8.515 -11.294 -5.347 1.00 0.00 C ATOM 732 CG ASP A 75 7.867 -12.671 -5.332 1.00 0.00 C ATOM 733 OD1 ASP A 75 8.627 -13.656 -5.227 1.00 0.00 O ATOM 734 OD2 ASP A 75 6.634 -12.737 -5.510 1.00 0.00 O ATOM 0 H ASP A 75 9.723 -9.174 -5.778 1.00 0.00 H new ATOM 0 HA ASP A 75 10.000 -11.925 -6.762 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.149 -11.183 -4.467 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.741 -10.530 -5.280 1.00 0.00 H new ATOM 736 N GLY A 76 9.054 -11.458 -8.970 1.00 0.00 N ATOM 737 CA GLY A 76 8.481 -11.501 -10.336 1.00 0.00 C ATOM 738 C GLY A 76 7.008 -11.078 -10.497 1.00 0.00 C ATOM 739 O GLY A 76 6.715 -9.906 -10.709 1.00 0.00 O ATOM 0 H GLY A 76 9.978 -11.888 -8.931 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.088 -10.861 -10.977 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.583 -12.519 -10.713 1.00 0.00 H new ATOM 741 N ALA A 77 6.118 -12.017 -10.172 1.00 0.00 N ATOM 742 CA ALA A 77 4.653 -11.843 -10.259 1.00 0.00 C ATOM 743 C ALA A 77 4.091 -10.675 -9.427 1.00 0.00 C ATOM 744 O ALA A 77 3.352 -9.830 -9.936 1.00 0.00 O ATOM 745 CB ALA A 77 3.965 -13.151 -9.851 1.00 0.00 C ATOM 0 H ALA A 77 6.392 -12.939 -9.834 1.00 0.00 H new ATOM 0 HA ALA A 77 4.440 -11.588 -11.297 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.884 -13.028 -9.913 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.279 -13.951 -10.521 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.243 -13.405 -8.828 1.00 0.00 H new ATOM 747 N MET A 78 4.591 -10.537 -8.201 1.00 0.00 N ATOM 748 CA MET A 78 4.172 -9.492 -7.241 1.00 0.00 C ATOM 749 C MET A 78 4.465 -8.052 -7.675 1.00 0.00 C ATOM 750 O MET A 78 3.761 -7.138 -7.252 1.00 0.00 O ATOM 751 CB MET A 78 4.761 -9.783 -5.860 1.00 0.00 C ATOM 752 CG MET A 78 4.107 -11.039 -5.277 1.00 0.00 C ATOM 753 SD MET A 78 3.286 -10.768 -3.659 1.00 0.00 S ATOM 754 CE MET A 78 4.722 -10.490 -2.630 1.00 0.00 C ATOM 0 H MET A 78 5.313 -11.155 -7.830 1.00 0.00 H new ATOM 0 HA MET A 78 3.084 -9.547 -7.204 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.839 -9.924 -5.936 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.596 -8.934 -5.197 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.372 -11.417 -5.987 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.867 -11.812 -5.163 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.513 -10.828 -1.615 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.570 -11.046 -3.030 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.960 -9.426 -2.617 1.00 0.00 H new ATOM 756 N SER A 79 5.462 -7.858 -8.532 1.00 0.00 N ATOM 757 CA SER A 79 5.795 -6.527 -9.089 1.00 0.00 C ATOM 758 C SER A 79 4.590 -5.828 -9.747 1.00 0.00 C ATOM 759 O SER A 79 4.503 -4.603 -9.774 1.00 0.00 O ATOM 760 CB SER A 79 6.948 -6.592 -10.102 1.00 0.00 C ATOM 761 OG SER A 79 6.556 -7.336 -11.250 1.00 0.00 O ATOM 0 H SER A 79 6.067 -8.608 -8.867 1.00 0.00 H new ATOM 0 HA SER A 79 6.106 -5.936 -8.228 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.240 -5.584 -10.396 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.820 -7.055 -9.641 1.00 0.00 H new ATOM 0 HG SER A 79 6.261 -8.229 -10.976 1.00 0.00 H new ATOM 764 N ALA A 80 3.632 -6.628 -10.207 1.00 0.00 N ATOM 765 CA ALA A 80 2.377 -6.181 -10.848 1.00 0.00 C ATOM 766 C ALA A 80 1.355 -5.548 -9.879 1.00 0.00 C ATOM 767 O ALA A 80 0.456 -4.822 -10.321 1.00 0.00 O ATOM 768 CB ALA A 80 1.744 -7.356 -11.591 1.00 0.00 C ATOM 0 H ALA A 80 3.701 -7.644 -10.146 1.00 0.00 H new ATOM 0 HA ALA A 80 2.651 -5.385 -11.540 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.818 -7.030 -12.065 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.434 -7.719 -12.353 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.528 -8.158 -10.886 1.00 0.00 H new ATOM 770 N LEU A 81 1.456 -5.863 -8.590 1.00 0.00 N ATOM 771 CA LEU A 81 0.538 -5.306 -7.573 1.00 0.00 C ATOM 772 C LEU A 81 1.100 -4.043 -6.898 1.00 0.00 C ATOM 773 O LEU A 81 2.120 -4.093 -6.194 1.00 0.00 O ATOM 774 CB LEU A 81 -0.108 -6.338 -6.632 1.00 0.00 C ATOM 775 CG LEU A 81 0.827 -7.430 -6.095 1.00 0.00 C ATOM 776 CD1 LEU A 81 1.503 -6.990 -4.794 1.00 0.00 C ATOM 777 CD2 LEU A 81 0.048 -8.714 -5.824 1.00 0.00 C ATOM 0 H LEU A 81 2.160 -6.499 -8.215 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.332 -4.958 -8.130 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.541 -5.807 -5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.931 -6.819 -7.161 1.00 0.00 H new ATOM 0 HG LEU A 81 1.588 -7.607 -6.855 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.159 -7.784 -4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.089 -6.089 -4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.743 -6.783 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.726 -9.478 -5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.729 -8.519 -5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.410 -9.064 -6.749 1.00 0.00 H new ATOM 779 N PRO A 82 0.461 -2.895 -7.178 1.00 0.00 N ATOM 780 CA PRO A 82 0.862 -1.562 -6.693 1.00 0.00 C ATOM 781 C PRO A 82 1.188 -1.422 -5.208 1.00 0.00 C ATOM 782 O PRO A 82 0.457 -1.891 -4.334 1.00 0.00 O ATOM 783 CB PRO A 82 -0.294 -0.628 -7.063 1.00 0.00 C ATOM 784 CG PRO A 82 -1.458 -1.541 -7.416 1.00 0.00 C ATOM 785 CD PRO A 82 -0.789 -2.794 -7.959 1.00 0.00 C ATOM 0 HA PRO A 82 1.816 -1.324 -7.164 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.549 0.029 -6.232 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.028 0.011 -7.905 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.071 -1.762 -6.542 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.113 -1.084 -8.158 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.418 -3.674 -7.823 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.587 -2.709 -9.027 1.00 0.00 H new ATOM 786 N VAL A 83 2.185 -0.566 -4.989 1.00 0.00 N ATOM 787 CA VAL A 83 2.715 -0.241 -3.651 1.00 0.00 C ATOM 788 C VAL A 83 2.516 1.249 -3.309 1.00 0.00 C ATOM 789 O VAL A 83 3.132 2.138 -3.898 1.00 0.00 O ATOM 790 CB VAL A 83 4.199 -0.652 -3.532 1.00 0.00 C ATOM 791 CG1 VAL A 83 4.804 -0.267 -2.173 1.00 0.00 C ATOM 792 CG2 VAL A 83 4.375 -2.162 -3.689 1.00 0.00 C ATOM 0 H VAL A 83 2.659 -0.068 -5.742 1.00 0.00 H new ATOM 0 HA VAL A 83 2.147 -0.818 -2.921 1.00 0.00 H new ATOM 0 HB VAL A 83 4.712 -0.117 -4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.848 -0.577 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.742 0.813 -2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.252 -0.763 -1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.431 -2.416 -3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.811 -2.677 -2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.009 -2.471 -4.668 1.00 0.00 H new ATOM 794 N LEU A 84 1.798 1.445 -2.210 1.00 0.00 N ATOM 795 CA LEU A 84 1.494 2.770 -1.636 1.00 0.00 C ATOM 796 C LEU A 84 2.219 2.910 -0.293 1.00 0.00 C ATOM 797 O LEU A 84 2.045 2.092 0.611 1.00 0.00 O ATOM 798 CB LEU A 84 -0.017 2.908 -1.453 1.00 0.00 C ATOM 799 CG LEU A 84 -0.464 4.293 -0.954 1.00 0.00 C ATOM 800 CD1 LEU A 84 -0.175 5.393 -1.975 1.00 0.00 C ATOM 801 CD2 LEU A 84 -1.971 4.256 -0.678 1.00 0.00 C ATOM 0 H LEU A 84 1.397 0.676 -1.673 1.00 0.00 H new ATOM 0 HA LEU A 84 1.835 3.560 -2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.508 2.700 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.357 2.151 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 84 0.098 4.521 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.507 6.353 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.896 5.433 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.707 5.178 -2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.300 5.233 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.503 4.005 -1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.183 3.504 0.082 1.00 0.00 H new ATOM 803 N MET A 85 3.145 3.858 -0.271 1.00 0.00 N ATOM 804 CA MET A 85 3.961 4.163 0.924 1.00 0.00 C ATOM 805 C MET A 85 3.315 5.188 1.860 1.00 0.00 C ATOM 806 O MET A 85 3.120 6.357 1.515 1.00 0.00 O ATOM 807 CB MET A 85 5.346 4.636 0.450 1.00 0.00 C ATOM 808 CG MET A 85 6.188 3.526 -0.196 1.00 0.00 C ATOM 809 SD MET A 85 7.014 2.405 0.992 1.00 0.00 S ATOM 810 CE MET A 85 5.854 1.069 1.097 1.00 0.00 C ATOM 0 H MET A 85 3.362 4.445 -1.076 1.00 0.00 H new ATOM 0 HA MET A 85 4.048 3.254 1.519 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.218 5.447 -0.267 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.891 5.046 1.300 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.546 2.934 -0.848 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.947 3.986 -0.829 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.484 0.988 2.119 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.019 1.259 0.423 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.345 0.138 0.813 1.00 0.00 H new ATOM 812 N VAL A 86 2.930 4.721 3.036 1.00 0.00 N ATOM 813 CA VAL A 86 2.314 5.602 4.042 1.00 0.00 C ATOM 814 C VAL A 86 3.422 6.137 4.949 1.00 0.00 C ATOM 815 O VAL A 86 3.899 5.495 5.890 1.00 0.00 O ATOM 816 CB VAL A 86 1.176 4.991 4.866 1.00 0.00 C ATOM 817 CG1 VAL A 86 0.357 6.119 5.497 1.00 0.00 C ATOM 818 CG2 VAL A 86 0.204 4.146 4.025 1.00 0.00 C ATOM 0 H VAL A 86 3.027 3.748 3.326 1.00 0.00 H new ATOM 0 HA VAL A 86 1.820 6.401 3.489 1.00 0.00 H new ATOM 0 HB VAL A 86 1.644 4.344 5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.456 5.693 6.086 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.999 6.717 6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.057 6.752 4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.578 3.742 4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.247 4.770 3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.747 3.326 3.556 1.00 0.00 H new ATOM 820 N THR A 87 3.820 7.331 4.569 1.00 0.00 N ATOM 821 CA THR A 87 4.902 8.100 5.225 1.00 0.00 C ATOM 822 C THR A 87 4.350 9.301 5.991 1.00 0.00 C ATOM 823 O THR A 87 3.632 10.130 5.427 1.00 0.00 O ATOM 824 CB THR A 87 6.022 8.493 4.233 1.00 0.00 C ATOM 825 OG1 THR A 87 6.879 9.486 4.811 1.00 0.00 O ATOM 826 CG2 THR A 87 5.539 8.865 2.822 1.00 0.00 C ATOM 0 H THR A 87 3.403 7.822 3.779 1.00 0.00 H new ATOM 0 HA THR A 87 5.366 7.443 5.960 1.00 0.00 H new ATOM 0 HB THR A 87 6.607 7.589 4.065 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.641 10.369 4.459 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.396 9.125 2.201 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.016 8.017 2.381 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.862 9.717 2.882 1.00 0.00 H new ATOM 829 N ALA A 88 4.750 9.404 7.253 1.00 0.00 N ATOM 830 CA ALA A 88 4.344 10.474 8.191 1.00 0.00 C ATOM 831 C ALA A 88 4.476 11.902 7.641 1.00 0.00 C ATOM 832 O ALA A 88 3.675 12.775 7.944 1.00 0.00 O ATOM 833 CB ALA A 88 5.110 10.340 9.504 1.00 0.00 C ATOM 0 H ALA A 88 5.387 8.729 7.677 1.00 0.00 H new ATOM 0 HA ALA A 88 3.276 10.327 8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.803 11.132 10.187 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.895 9.371 9.953 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.180 10.421 9.311 1.00 0.00 H new ATOM 835 N GLU A 89 5.548 12.119 6.891 1.00 0.00 N ATOM 836 CA GLU A 89 5.826 13.415 6.257 1.00 0.00 C ATOM 837 C GLU A 89 6.459 13.205 4.875 1.00 0.00 C ATOM 838 O GLU A 89 7.220 12.258 4.652 1.00 0.00 O ATOM 839 CB GLU A 89 6.726 14.270 7.161 1.00 0.00 C ATOM 840 CG GLU A 89 6.763 15.731 6.700 1.00 0.00 C ATOM 841 CD GLU A 89 7.562 16.615 7.658 1.00 0.00 C ATOM 842 OE1 GLU A 89 6.929 17.134 8.609 1.00 0.00 O ATOM 843 OE2 GLU A 89 8.768 16.798 7.392 1.00 0.00 O ATOM 0 H GLU A 89 6.253 11.407 6.701 1.00 0.00 H new ATOM 0 HA GLU A 89 4.887 13.951 6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.363 14.221 8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.737 13.862 7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.203 15.786 5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.745 16.112 6.620 1.00 0.00 H new ATOM 845 N ALA A 90 6.000 14.025 3.933 1.00 0.00 N ATOM 846 CA ALA A 90 6.520 14.019 2.560 1.00 0.00 C ATOM 847 C ALA A 90 7.842 14.790 2.554 1.00 0.00 C ATOM 848 O ALA A 90 7.880 16.022 2.606 1.00 0.00 O ATOM 849 CB ALA A 90 5.504 14.654 1.597 1.00 0.00 C ATOM 0 H ALA A 90 5.262 14.710 4.094 1.00 0.00 H new ATOM 0 HA ALA A 90 6.688 12.997 2.222 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.906 14.641 0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.573 14.088 1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.312 15.684 1.898 1.00 0.00 H new ATOM 851 N LYS A 91 8.869 14.021 2.894 1.00 0.00 N ATOM 852 CA LYS A 91 10.259 14.523 2.956 1.00 0.00 C ATOM 853 C LYS A 91 10.954 14.085 1.677 1.00 0.00 C ATOM 854 O LYS A 91 10.849 12.928 1.273 1.00 0.00 O ATOM 855 CB LYS A 91 11.019 13.911 4.135 1.00 0.00 C ATOM 856 CG LYS A 91 10.431 14.286 5.497 1.00 0.00 C ATOM 857 CD LYS A 91 11.213 13.593 6.601 1.00 0.00 C ATOM 858 CE LYS A 91 10.554 13.813 7.961 1.00 0.00 C ATOM 859 NZ LYS A 91 11.340 13.129 8.988 1.00 0.00 N ATOM 0 H LYS A 91 8.775 13.034 3.136 1.00 0.00 H new ATOM 0 HA LYS A 91 10.244 15.606 3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.019 12.826 4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.059 14.235 4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.468 15.367 5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.382 13.995 5.544 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.275 12.525 6.392 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.234 13.974 6.622 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.493 14.879 8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.533 13.430 7.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.897 13.274 9.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.376 12.111 8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.306 13.515 9.000 1.00 0.00 H new ATOM 864 N LYS A 92 11.658 15.038 1.079 1.00 0.00 N ATOM 865 CA LYS A 92 12.423 14.840 -0.175 1.00 0.00 C ATOM 866 C LYS A 92 13.139 13.478 -0.252 1.00 0.00 C ATOM 867 O LYS A 92 12.899 12.715 -1.178 1.00 0.00 O ATOM 868 CB LYS A 92 13.407 15.996 -0.246 1.00 0.00 C ATOM 869 CG LYS A 92 13.956 16.159 -1.653 1.00 0.00 C ATOM 870 CD LYS A 92 15.168 17.085 -1.605 1.00 0.00 C ATOM 871 CE LYS A 92 15.855 17.120 -2.962 1.00 0.00 C ATOM 872 NZ LYS A 92 17.227 17.570 -2.734 1.00 0.00 N ATOM 0 H LYS A 92 11.723 15.988 1.445 1.00 0.00 H new ATOM 0 HA LYS A 92 11.744 14.828 -1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 92 12.914 16.917 0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.227 15.823 0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.238 15.189 -2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 92 13.191 16.572 -2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 92 14.856 18.090 -1.321 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.868 16.741 -0.843 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.845 16.133 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 92 15.335 17.796 -3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 17.735 17.608 -3.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.215 18.517 -2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.709 16.905 -2.095 1.00 0.00 H new ATOM 877 N GLU A 93 13.871 13.127 0.808 1.00 0.00 N ATOM 878 CA GLU A 93 14.604 11.845 0.925 1.00 0.00 C ATOM 879 C GLU A 93 13.670 10.633 0.802 1.00 0.00 C ATOM 880 O GLU A 93 13.856 9.814 -0.101 1.00 0.00 O ATOM 881 CB GLU A 93 15.416 11.769 2.215 1.00 0.00 C ATOM 882 CG GLU A 93 16.728 12.567 2.179 1.00 0.00 C ATOM 883 CD GLU A 93 16.563 14.087 2.010 1.00 0.00 C ATOM 884 OE1 GLU A 93 15.614 14.644 2.615 1.00 0.00 O ATOM 885 OE2 GLU A 93 17.342 14.652 1.211 1.00 0.00 O ATOM 0 H GLU A 93 13.979 13.727 1.625 1.00 0.00 H new ATOM 0 HA GLU A 93 15.301 11.813 0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.803 12.135 3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 93 15.644 10.724 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 93 17.276 12.377 3.102 1.00 0.00 H new ATOM 0 HG3 GLU A 93 17.342 12.191 1.361 1.00 0.00 H new ATOM 887 N ASN A 94 12.601 10.612 1.614 1.00 0.00 N ATOM 888 CA ASN A 94 11.577 9.544 1.603 1.00 0.00 C ATOM 889 C ASN A 94 10.963 9.388 0.206 1.00 0.00 C ATOM 890 O ASN A 94 10.913 8.288 -0.326 1.00 0.00 O ATOM 891 CB ASN A 94 10.435 9.825 2.593 1.00 0.00 C ATOM 892 CG ASN A 94 10.820 9.623 4.059 1.00 0.00 C ATOM 893 OD1 ASN A 94 11.882 10.014 4.525 1.00 0.00 O ATOM 894 ND2 ASN A 94 9.876 9.157 4.858 1.00 0.00 N ATOM 0 H ASN A 94 12.418 11.340 2.304 1.00 0.00 H new ATOM 0 HA ASN A 94 12.091 8.629 1.898 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.093 10.851 2.456 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.594 9.174 2.356 1.00 0.00 H new ATOM 0 HD21 ASN A 94 10.032 9.123 5.865 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.992 8.832 4.467 1.00 0.00 H new ATOM 898 N ILE A 95 10.642 10.530 -0.408 1.00 0.00 N ATOM 899 CA ILE A 95 10.058 10.600 -1.765 1.00 0.00 C ATOM 900 C ILE A 95 10.984 9.939 -2.805 1.00 0.00 C ATOM 901 O ILE A 95 10.608 8.930 -3.396 1.00 0.00 O ATOM 902 CB ILE A 95 9.745 12.091 -2.069 1.00 0.00 C ATOM 903 CG1 ILE A 95 8.635 12.595 -1.139 1.00 0.00 C ATOM 904 CG2 ILE A 95 9.404 12.341 -3.551 1.00 0.00 C ATOM 905 CD1 ILE A 95 8.504 14.127 -1.088 1.00 0.00 C ATOM 0 H ILE A 95 10.779 11.445 0.021 1.00 0.00 H new ATOM 0 HA ILE A 95 9.128 10.034 -1.820 1.00 0.00 H new ATOM 0 HB ILE A 95 10.652 12.663 -1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.685 12.171 -1.462 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.824 12.224 -0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.195 13.400 -3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.248 12.045 -4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.527 11.755 -3.827 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.697 14.401 -0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.439 14.561 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.283 14.507 -2.085 1.00 0.00 H new ATOM 907 N ILE A 96 12.233 10.415 -2.871 1.00 0.00 N ATOM 908 CA ILE A 96 13.256 9.880 -3.794 1.00 0.00 C ATOM 909 C ILE A 96 13.464 8.369 -3.554 1.00 0.00 C ATOM 910 O ILE A 96 13.203 7.578 -4.465 1.00 0.00 O ATOM 911 CB ILE A 96 14.563 10.693 -3.704 1.00 0.00 C ATOM 912 CG1 ILE A 96 14.301 12.169 -4.035 1.00 0.00 C ATOM 913 CG2 ILE A 96 15.630 10.141 -4.661 1.00 0.00 C ATOM 914 CD1 ILE A 96 15.399 13.119 -3.536 1.00 0.00 C ATOM 0 H ILE A 96 12.569 11.182 -2.288 1.00 0.00 H new ATOM 0 HA ILE A 96 12.901 9.989 -4.819 1.00 0.00 H new ATOM 0 HB ILE A 96 14.932 10.608 -2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 96 14.202 12.278 -5.115 1.00 0.00 H new ATOM 0 HG13 ILE A 96 13.349 12.467 -3.596 1.00 0.00 H new ATOM 0 HG21 ILE A 96 16.539 10.736 -4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 96 15.848 9.104 -4.404 1.00 0.00 H new ATOM 0 HG23 ILE A 96 15.261 10.191 -5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 96 15.144 14.144 -3.807 1.00 0.00 H new ATOM 0 HD12 ILE A 96 15.483 13.040 -2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.350 12.848 -3.994 1.00 0.00 H new ATOM 916 N ALA A 97 13.683 8.000 -2.296 1.00 0.00 N ATOM 917 CA ALA A 97 13.889 6.593 -1.870 1.00 0.00 C ATOM 918 C ALA A 97 12.750 5.653 -2.306 1.00 0.00 C ATOM 919 O ALA A 97 12.978 4.658 -2.995 1.00 0.00 O ATOM 920 CB ALA A 97 14.077 6.535 -0.349 1.00 0.00 C ATOM 0 H ALA A 97 13.726 8.666 -1.525 1.00 0.00 H new ATOM 0 HA ALA A 97 14.789 6.237 -2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 97 14.228 5.501 -0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.947 7.128 -0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.190 6.935 0.143 1.00 0.00 H new ATOM 922 N ALA A 98 11.524 6.102 -2.040 1.00 0.00 N ATOM 923 CA ALA A 98 10.287 5.365 -2.395 1.00 0.00 C ATOM 924 C ALA A 98 10.189 5.116 -3.907 1.00 0.00 C ATOM 925 O ALA A 98 10.125 3.973 -4.339 1.00 0.00 O ATOM 926 CB ALA A 98 9.083 6.166 -1.875 1.00 0.00 C ATOM 0 H ALA A 98 11.348 6.990 -1.570 1.00 0.00 H new ATOM 0 HA ALA A 98 10.302 4.381 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.161 5.641 -2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.157 6.273 -0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.076 7.153 -2.337 1.00 0.00 H new ATOM 928 N ALA A 99 10.405 6.190 -4.680 1.00 0.00 N ATOM 929 CA ALA A 99 10.384 6.141 -6.158 1.00 0.00 C ATOM 930 C ALA A 99 11.420 5.160 -6.722 1.00 0.00 C ATOM 931 O ALA A 99 11.061 4.206 -7.407 1.00 0.00 O ATOM 932 CB ALA A 99 10.602 7.558 -6.712 1.00 0.00 C ATOM 0 H ALA A 99 10.599 7.118 -4.304 1.00 0.00 H new ATOM 0 HA ALA A 99 9.409 5.771 -6.476 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.588 7.529 -7.802 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.808 8.214 -6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.566 7.937 -6.372 1.00 0.00 H new ATOM 934 N GLN A 100 12.658 5.276 -6.212 1.00 0.00 N ATOM 935 CA GLN A 100 13.811 4.431 -6.610 1.00 0.00 C ATOM 936 C GLN A 100 13.559 2.918 -6.456 1.00 0.00 C ATOM 937 O GLN A 100 13.845 2.156 -7.373 1.00 0.00 O ATOM 938 CB GLN A 100 15.051 4.809 -5.780 1.00 0.00 C ATOM 939 CG GLN A 100 15.576 6.212 -6.089 1.00 0.00 C ATOM 940 CD GLN A 100 16.694 6.616 -5.127 1.00 0.00 C ATOM 941 OE1 GLN A 100 16.482 7.095 -4.025 1.00 0.00 O ATOM 942 NE2 GLN A 100 17.936 6.474 -5.554 1.00 0.00 N ATOM 0 H GLN A 100 12.896 5.968 -5.501 1.00 0.00 H new ATOM 0 HA GLN A 100 13.969 4.626 -7.671 1.00 0.00 H new ATOM 0 HB2 GLN A 100 14.804 4.745 -4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 100 15.842 4.082 -5.968 1.00 0.00 H new ATOM 0 HG2 GLN A 100 15.946 6.246 -7.114 1.00 0.00 H new ATOM 0 HG3 GLN A 100 14.759 6.930 -6.022 1.00 0.00 H new ATOM 0 HE21 GLN A 100 18.116 6.074 -6.475 1.00 0.00 H new ATOM 0 HE22 GLN A 100 18.715 6.764 -4.963 1.00 0.00 H new ATOM 946 N ALA A 101 12.937 2.543 -5.337 1.00 0.00 N ATOM 947 CA ALA A 101 12.631 1.137 -5.004 1.00 0.00 C ATOM 948 C ALA A 101 11.378 0.507 -5.653 1.00 0.00 C ATOM 949 O ALA A 101 11.091 -0.662 -5.401 1.00 0.00 O ATOM 950 CB ALA A 101 12.597 1.008 -3.477 1.00 0.00 C ATOM 0 H ALA A 101 12.626 3.206 -4.627 1.00 0.00 H new ATOM 0 HA ALA A 101 13.431 0.549 -5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.372 -0.023 -3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.567 1.289 -3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.828 1.666 -3.073 1.00 0.00 H new ATOM 952 N GLY A 102 10.641 1.285 -6.449 1.00 0.00 N ATOM 953 CA GLY A 102 9.430 0.806 -7.155 1.00 0.00 C ATOM 954 C GLY A 102 8.063 1.291 -6.645 1.00 0.00 C ATOM 955 O GLY A 102 7.039 0.776 -7.098 1.00 0.00 O ATOM 0 H GLY A 102 10.859 2.265 -6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.518 1.093 -8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.432 -0.284 -7.122 1.00 0.00 H new ATOM 957 N ALA A 103 8.015 2.288 -5.755 1.00 0.00 N ATOM 958 CA ALA A 103 6.747 2.810 -5.210 1.00 0.00 C ATOM 959 C ALA A 103 5.818 3.453 -6.244 1.00 0.00 C ATOM 960 O ALA A 103 6.140 4.466 -6.878 1.00 0.00 O ATOM 961 CB ALA A 103 6.956 3.786 -4.054 1.00 0.00 C ATOM 0 H ALA A 103 8.845 2.756 -5.391 1.00 0.00 H new ATOM 0 HA ALA A 103 6.251 1.911 -4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.989 4.136 -3.694 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.484 3.283 -3.244 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.545 4.636 -4.398 1.00 0.00 H new ATOM 963 N SER A 104 4.604 2.923 -6.232 1.00 0.00 N ATOM 964 CA SER A 104 3.495 3.380 -7.111 1.00 0.00 C ATOM 965 C SER A 104 2.963 4.771 -6.721 1.00 0.00 C ATOM 966 O SER A 104 2.257 5.423 -7.496 1.00 0.00 O ATOM 967 CB SER A 104 2.349 2.377 -7.049 1.00 0.00 C ATOM 968 OG SER A 104 2.832 1.076 -7.402 1.00 0.00 O ATOM 0 H SER A 104 4.341 2.156 -5.613 1.00 0.00 H new ATOM 0 HA SER A 104 3.897 3.451 -8.122 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.922 2.358 -6.046 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.552 2.677 -7.729 1.00 0.00 H new ATOM 0 HG SER A 104 2.247 0.684 -8.083 1.00 0.00 H new ATOM 971 N GLY A 105 3.187 5.129 -5.466 1.00 0.00 N ATOM 972 CA GLY A 105 2.807 6.416 -4.863 1.00 0.00 C ATOM 973 C GLY A 105 3.098 6.406 -3.357 1.00 0.00 C ATOM 974 O GLY A 105 3.568 5.412 -2.797 1.00 0.00 O ATOM 0 H GLY A 105 3.658 4.511 -4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 105 3.358 7.226 -5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.748 6.607 -5.034 1.00 0.00 H new ATOM 976 N TYR A 106 2.776 7.534 -2.732 1.00 0.00 N ATOM 977 CA TYR A 106 2.976 7.711 -1.286 1.00 0.00 C ATOM 978 C TYR A 106 1.899 8.616 -0.670 1.00 0.00 C ATOM 979 O TYR A 106 1.670 9.735 -1.147 1.00 0.00 O ATOM 980 CB TYR A 106 4.395 8.216 -0.954 1.00 0.00 C ATOM 981 CG TYR A 106 4.699 9.648 -1.395 1.00 0.00 C ATOM 982 CD1 TYR A 106 5.159 9.890 -2.708 1.00 0.00 C ATOM 983 CD2 TYR A 106 4.483 10.692 -0.467 1.00 0.00 C ATOM 984 CE1 TYR A 106 5.403 11.217 -3.109 1.00 0.00 C ATOM 985 CE2 TYR A 106 4.727 12.019 -0.869 1.00 0.00 C ATOM 986 CZ TYR A 106 5.181 12.258 -2.189 1.00 0.00 C ATOM 987 OH TYR A 106 5.398 13.534 -2.575 1.00 0.00 O ATOM 0 H TYR A 106 2.374 8.346 -3.201 1.00 0.00 H new ATOM 0 HA TYR A 106 2.874 6.725 -0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.545 8.146 0.123 1.00 0.00 H new ATOM 0 HB3 TYR A 106 5.119 7.548 -1.421 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.321 9.071 -3.393 1.00 0.00 H new ATOM 0 HD2 TYR A 106 4.137 10.476 0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.755 11.433 -4.107 1.00 0.00 H new ATOM 0 HE2 TYR A 106 4.571 12.839 -0.184 1.00 0.00 H new ATOM 0 HH TYR A 106 5.200 14.139 -1.830 1.00 0.00 H new ATOM 990 N VAL A 107 1.302 8.153 0.417 1.00 0.00 N ATOM 991 CA VAL A 107 0.259 8.925 1.111 1.00 0.00 C ATOM 992 C VAL A 107 0.728 9.315 2.509 1.00 0.00 C ATOM 993 O VAL A 107 1.333 8.528 3.233 1.00 0.00 O ATOM 994 CB VAL A 107 -1.108 8.217 1.008 1.00 0.00 C ATOM 995 CG1 VAL A 107 -1.341 7.128 2.057 1.00 0.00 C ATOM 996 CG2 VAL A 107 -2.237 9.245 1.058 1.00 0.00 C ATOM 0 H VAL A 107 1.514 7.251 0.844 1.00 0.00 H new ATOM 0 HA VAL A 107 0.088 9.880 0.615 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.101 7.703 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.326 6.685 1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.577 6.357 1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.286 7.565 3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.197 8.735 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.188 9.793 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.132 9.942 0.226 1.00 0.00 H new ATOM 998 N VAL A 108 0.693 10.625 2.727 1.00 0.00 N ATOM 999 CA VAL A 108 1.110 11.235 4.002 1.00 0.00 C ATOM 1000 C VAL A 108 0.013 11.068 5.069 1.00 0.00 C ATOM 1001 O VAL A 108 -1.139 11.435 4.858 1.00 0.00 O ATOM 1002 CB VAL A 108 1.503 12.713 3.801 1.00 0.00 C ATOM 1003 CG1 VAL A 108 1.936 13.405 5.101 1.00 0.00 C ATOM 1004 CG2 VAL A 108 2.650 12.827 2.794 1.00 0.00 C ATOM 0 H VAL A 108 0.377 11.300 2.031 1.00 0.00 H new ATOM 0 HA VAL A 108 1.996 10.714 4.364 1.00 0.00 H new ATOM 0 HB VAL A 108 0.607 13.212 3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.199 14.442 4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.116 13.377 5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.801 12.888 5.518 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.916 13.876 2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.515 12.277 3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.337 12.410 1.837 1.00 0.00 H new ATOM 1006 N LYS A 109 0.429 10.488 6.198 1.00 0.00 N ATOM 1007 CA LYS A 109 -0.492 10.271 7.333 1.00 0.00 C ATOM 1008 C LYS A 109 -0.433 11.450 8.322 1.00 0.00 C ATOM 1009 O LYS A 109 0.668 11.960 8.550 1.00 0.00 O ATOM 1010 CB LYS A 109 -0.263 8.907 8.019 1.00 0.00 C ATOM 1011 CG LYS A 109 1.149 8.694 8.567 1.00 0.00 C ATOM 1012 CD LYS A 109 1.245 7.382 9.356 1.00 0.00 C ATOM 1013 CE LYS A 109 2.681 7.185 9.832 1.00 0.00 C ATOM 1014 NZ LYS A 109 2.737 6.025 10.727 1.00 0.00 N ATOM 0 H LYS A 109 1.382 10.162 6.357 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.506 10.235 6.934 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.975 8.804 8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.483 8.115 7.304 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.863 8.680 7.744 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.422 9.530 9.211 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.567 7.407 10.209 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.939 6.544 8.730 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.342 7.033 8.979 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.030 8.077 10.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.717 5.876 11.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.130 6.195 11.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.403 5.180 10.221 1.00 0.00 H new ATOM 1019 N PRO A 110 -1.577 11.901 8.865 1.00 0.00 N ATOM 1020 CA PRO A 110 -2.937 11.380 8.627 1.00 0.00 C ATOM 1021 C PRO A 110 -3.559 11.800 7.282 1.00 0.00 C ATOM 1022 O PRO A 110 -3.724 12.971 6.966 1.00 0.00 O ATOM 1023 CB PRO A 110 -3.757 11.874 9.817 1.00 0.00 C ATOM 1024 CG PRO A 110 -3.085 13.205 10.179 1.00 0.00 C ATOM 1025 CD PRO A 110 -1.601 12.935 9.917 1.00 0.00 C ATOM 0 HA PRO A 110 -2.915 10.293 8.550 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.806 12.011 9.554 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.726 11.169 10.647 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.459 14.024 9.565 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.267 13.477 11.219 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.087 13.840 9.592 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.098 12.590 10.820 1.00 0.00 H new ATOM 1026 N PHE A 111 -3.967 10.772 6.557 1.00 0.00 N ATOM 1027 CA PHE A 111 -4.608 10.898 5.232 1.00 0.00 C ATOM 1028 C PHE A 111 -6.093 10.509 5.354 1.00 0.00 C ATOM 1029 O PHE A 111 -6.457 9.615 6.124 1.00 0.00 O ATOM 1030 CB PHE A 111 -3.883 10.066 4.175 1.00 0.00 C ATOM 1031 CG PHE A 111 -3.856 8.553 4.426 1.00 0.00 C ATOM 1032 CD1 PHE A 111 -3.025 8.034 5.446 1.00 0.00 C ATOM 1033 CD2 PHE A 111 -4.753 7.731 3.720 1.00 0.00 C ATOM 1034 CE1 PHE A 111 -3.145 6.675 5.801 1.00 0.00 C ATOM 1035 CE2 PHE A 111 -4.849 6.369 4.055 1.00 0.00 C ATOM 1036 CZ PHE A 111 -4.065 5.856 5.116 1.00 0.00 C ATOM 0 H PHE A 111 -3.867 9.805 6.866 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.542 11.934 4.898 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.355 10.248 3.209 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.856 10.422 4.100 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.309 8.670 5.946 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.362 8.142 2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.536 6.264 6.593 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.516 5.719 3.507 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.173 4.821 5.405 1.00 0.00 H new ATOM 1038 N THR A 112 -6.903 11.198 4.575 1.00 0.00 N ATOM 1039 CA THR A 112 -8.363 10.971 4.555 1.00 0.00 C ATOM 1040 C THR A 112 -8.746 10.058 3.379 1.00 0.00 C ATOM 1041 O THR A 112 -7.939 9.787 2.497 1.00 0.00 O ATOM 1042 CB THR A 112 -9.153 12.284 4.407 1.00 0.00 C ATOM 1043 OG1 THR A 112 -8.891 12.860 3.119 1.00 0.00 O ATOM 1044 CG2 THR A 112 -8.891 13.258 5.558 1.00 0.00 C ATOM 0 H THR A 112 -6.587 11.929 3.937 1.00 0.00 H new ATOM 0 HA THR A 112 -8.617 10.507 5.508 1.00 0.00 H new ATOM 0 HB THR A 112 -10.217 12.057 4.468 1.00 0.00 H new ATOM 0 HG1 THR A 112 -7.929 12.823 2.933 1.00 0.00 H new ATOM 0 HG21 THR A 112 -9.472 14.167 5.405 1.00 0.00 H new ATOM 0 HG22 THR A 112 -9.184 12.795 6.500 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.830 13.507 5.590 1.00 0.00 H new ATOM 1047 N ALA A 113 -10.014 9.636 3.371 1.00 0.00 N ATOM 1048 CA ALA A 113 -10.582 8.819 2.273 1.00 0.00 C ATOM 1049 C ALA A 113 -10.349 9.497 0.902 1.00 0.00 C ATOM 1050 O ALA A 113 -9.812 8.871 -0.004 1.00 0.00 O ATOM 1051 CB ALA A 113 -12.070 8.585 2.523 1.00 0.00 C ATOM 0 H ALA A 113 -10.679 9.845 4.116 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.074 7.855 2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -12.485 7.984 1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.202 8.060 3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -12.587 9.544 2.565 1.00 0.00 H new ATOM 1053 N ALA A 114 -10.488 10.821 0.898 1.00 0.00 N ATOM 1054 CA ALA A 114 -10.267 11.674 -0.304 1.00 0.00 C ATOM 1055 C ALA A 114 -8.805 11.632 -0.775 1.00 0.00 C ATOM 1056 O ALA A 114 -8.545 11.349 -1.955 1.00 0.00 O ATOM 1057 CB ALA A 114 -10.698 13.100 0.037 1.00 0.00 C ATOM 0 H ALA A 114 -10.759 11.351 1.726 1.00 0.00 H new ATOM 0 HA ALA A 114 -10.864 11.292 -1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.545 13.743 -0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.753 13.106 0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.104 13.470 0.873 1.00 0.00 H new ATOM 1059 N THR A 115 -7.867 11.766 0.160 1.00 0.00 N ATOM 1060 CA THR A 115 -6.406 11.722 -0.113 1.00 0.00 C ATOM 1061 C THR A 115 -6.022 10.323 -0.633 1.00 0.00 C ATOM 1062 O THR A 115 -5.342 10.191 -1.650 1.00 0.00 O ATOM 1063 CB THR A 115 -5.568 12.006 1.140 1.00 0.00 C ATOM 1064 OG1 THR A 115 -6.185 12.995 1.979 1.00 0.00 O ATOM 1065 CG2 THR A 115 -4.190 12.522 0.728 1.00 0.00 C ATOM 0 H THR A 115 -8.088 11.911 1.145 1.00 0.00 H new ATOM 0 HA THR A 115 -6.197 12.495 -0.853 1.00 0.00 H new ATOM 0 HB THR A 115 -5.486 11.073 1.697 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.557 13.267 2.681 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.596 12.723 1.619 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.687 11.771 0.119 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.303 13.440 0.152 1.00 0.00 H new ATOM 1068 N LEU A 116 -6.544 9.303 0.063 1.00 0.00 N ATOM 1069 CA LEU A 116 -6.339 7.880 -0.268 1.00 0.00 C ATOM 1070 C LEU A 116 -6.805 7.626 -1.722 1.00 0.00 C ATOM 1071 O LEU A 116 -5.969 7.294 -2.565 1.00 0.00 O ATOM 1072 CB LEU A 116 -7.085 7.018 0.757 1.00 0.00 C ATOM 1073 CG LEU A 116 -6.825 5.507 0.622 1.00 0.00 C ATOM 1074 CD1 LEU A 116 -5.335 5.139 0.675 1.00 0.00 C ATOM 1075 CD2 LEU A 116 -7.561 4.804 1.760 1.00 0.00 C ATOM 0 H LEU A 116 -7.131 9.443 0.886 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.285 7.609 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.798 7.336 1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.155 7.201 0.658 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.185 5.189 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.223 4.059 0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.808 5.636 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.915 5.460 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.395 3.729 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.185 5.168 2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.628 5.012 1.686 1.00 0.00 H new ATOM 1077 N GLU A 117 -8.022 8.050 -2.035 1.00 0.00 N ATOM 1078 CA GLU A 117 -8.617 7.904 -3.383 1.00 0.00 C ATOM 1079 C GLU A 117 -7.769 8.586 -4.476 1.00 0.00 C ATOM 1080 O GLU A 117 -7.440 7.954 -5.470 1.00 0.00 O ATOM 1081 CB GLU A 117 -10.043 8.444 -3.464 1.00 0.00 C ATOM 1082 CG GLU A 117 -10.751 7.825 -4.679 1.00 0.00 C ATOM 1083 CD GLU A 117 -12.101 8.489 -4.977 1.00 0.00 C ATOM 1084 OE1 GLU A 117 -13.059 8.186 -4.228 1.00 0.00 O ATOM 1085 OE2 GLU A 117 -12.133 9.293 -5.940 1.00 0.00 O ATOM 0 H GLU A 117 -8.639 8.510 -1.365 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.638 6.829 -3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.587 8.205 -2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.029 9.530 -3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.107 7.912 -5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.905 6.761 -4.502 1.00 0.00 H new ATOM 1087 N GLU A 118 -7.367 9.834 -4.214 1.00 0.00 N ATOM 1088 CA GLU A 118 -6.523 10.631 -5.121 1.00 0.00 C ATOM 1089 C GLU A 118 -5.325 9.827 -5.662 1.00 0.00 C ATOM 1090 O GLU A 118 -5.139 9.707 -6.878 1.00 0.00 O ATOM 1091 CB GLU A 118 -6.055 11.865 -4.333 1.00 0.00 C ATOM 1092 CG GLU A 118 -5.082 12.804 -5.060 1.00 0.00 C ATOM 1093 CD GLU A 118 -4.350 13.687 -4.040 1.00 0.00 C ATOM 1094 OE1 GLU A 118 -3.339 13.189 -3.493 1.00 0.00 O ATOM 1095 OE2 GLU A 118 -4.830 14.813 -3.807 1.00 0.00 O ATOM 0 H GLU A 118 -7.619 10.328 -3.358 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.098 10.925 -5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -6.934 12.440 -4.043 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -5.580 11.524 -3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.361 12.222 -5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -5.626 13.427 -5.770 1.00 0.00 H new ATOM 1097 N LYS A 119 -4.648 9.151 -4.737 1.00 0.00 N ATOM 1098 CA LYS A 119 -3.477 8.318 -5.043 1.00 0.00 C ATOM 1099 C LYS A 119 -3.854 7.023 -5.791 1.00 0.00 C ATOM 1100 O LYS A 119 -3.362 6.807 -6.900 1.00 0.00 O ATOM 1101 CB LYS A 119 -2.672 8.014 -3.771 1.00 0.00 C ATOM 1102 CG LYS A 119 -2.197 9.290 -3.049 1.00 0.00 C ATOM 1103 CD LYS A 119 -1.222 10.162 -3.851 1.00 0.00 C ATOM 1104 CE LYS A 119 0.186 9.567 -3.874 1.00 0.00 C ATOM 1105 NZ LYS A 119 0.619 9.306 -5.250 1.00 0.00 N ATOM 0 H LYS A 119 -4.894 9.163 -3.747 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.844 8.894 -5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.285 7.423 -3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.806 7.405 -4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.070 9.890 -2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -1.719 9.003 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.587 10.270 -4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.187 11.161 -3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 119 0.883 10.253 -3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.203 8.640 -3.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.577 8.902 -5.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -0.036 8.634 -5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 0.623 10.196 -5.787 1.00 0.00 H new ATOM 1110 N LEU A 120 -4.874 6.312 -5.294 1.00 0.00 N ATOM 1111 CA LEU A 120 -5.367 5.046 -5.890 1.00 0.00 C ATOM 1112 C LEU A 120 -5.760 5.212 -7.376 1.00 0.00 C ATOM 1113 O LEU A 120 -5.286 4.469 -8.235 1.00 0.00 O ATOM 1114 CB LEU A 120 -6.592 4.485 -5.148 1.00 0.00 C ATOM 1115 CG LEU A 120 -6.436 4.351 -3.625 1.00 0.00 C ATOM 1116 CD1 LEU A 120 -7.778 3.965 -3.013 1.00 0.00 C ATOM 1117 CD2 LEU A 120 -5.367 3.346 -3.189 1.00 0.00 C ATOM 0 H LEU A 120 -5.390 6.594 -4.461 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.531 4.352 -5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -7.447 5.130 -5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -6.827 3.504 -5.560 1.00 0.00 H new ATOM 0 HG LEU A 120 -6.101 5.324 -3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.671 3.869 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.515 4.736 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.108 3.014 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.321 3.313 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.619 2.357 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.398 3.652 -3.583 1.00 0.00 H new ATOM 1119 N ASN A 121 -6.489 6.296 -7.661 1.00 0.00 N ATOM 1120 CA ASN A 121 -6.970 6.660 -9.016 1.00 0.00 C ATOM 1121 C ASN A 121 -5.848 6.720 -10.063 1.00 0.00 C ATOM 1122 O ASN A 121 -5.842 5.981 -11.043 1.00 0.00 O ATOM 1123 CB ASN A 121 -7.683 8.012 -8.938 1.00 0.00 C ATOM 1124 CG ASN A 121 -9.047 7.975 -8.228 1.00 0.00 C ATOM 1125 OD1 ASN A 121 -9.468 7.009 -7.618 1.00 0.00 O ATOM 1126 ND2 ASN A 121 -9.723 9.101 -8.252 1.00 0.00 N ATOM 0 H ASN A 121 -6.772 6.966 -6.946 1.00 0.00 H new ATOM 0 HA ASN A 121 -7.652 5.876 -9.344 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -7.037 8.720 -8.419 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -7.825 8.392 -9.950 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -10.611 9.173 -7.756 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -9.360 9.903 -8.767 1.00 0.00 H new ATOM 1130 N LYS A 122 -4.849 7.550 -9.737 1.00 0.00 N ATOM 1131 CA LYS A 122 -3.643 7.791 -10.551 1.00 0.00 C ATOM 1132 C LYS A 122 -2.922 6.480 -10.921 1.00 0.00 C ATOM 1133 O LYS A 122 -2.744 6.157 -12.093 1.00 0.00 O ATOM 1134 CB LYS A 122 -2.745 8.716 -9.714 1.00 0.00 C ATOM 1135 CG LYS A 122 -1.402 9.015 -10.379 1.00 0.00 C ATOM 1136 CD LYS A 122 -0.427 9.624 -9.379 1.00 0.00 C ATOM 1137 CE LYS A 122 0.972 9.669 -9.982 1.00 0.00 C ATOM 1138 NZ LYS A 122 1.900 10.301 -9.033 1.00 0.00 N ATOM 0 H LYS A 122 -4.855 8.091 -8.872 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.904 8.250 -11.505 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -3.270 9.654 -9.532 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.567 8.257 -8.742 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.982 8.097 -10.790 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.549 9.700 -11.214 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -0.749 10.630 -9.110 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.418 9.036 -8.461 1.00 0.00 H new ATOM 0 HE2 LYS A 122 1.309 8.660 -10.218 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.957 10.227 -10.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 2.854 10.330 -9.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 1.581 11.270 -8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.923 9.751 -8.151 1.00 0.00 H new ATOM 1143 N ILE A 123 -2.744 5.647 -9.897 1.00 0.00 N ATOM 1144 CA ILE A 123 -2.061 4.336 -9.992 1.00 0.00 C ATOM 1145 C ILE A 123 -2.702 3.389 -11.029 1.00 0.00 C ATOM 1146 O ILE A 123 -1.996 2.901 -11.903 1.00 0.00 O ATOM 1147 CB ILE A 123 -1.955 3.764 -8.564 1.00 0.00 C ATOM 1148 CG1 ILE A 123 -0.967 4.644 -7.780 1.00 0.00 C ATOM 1149 CG2 ILE A 123 -1.482 2.307 -8.549 1.00 0.00 C ATOM 1150 CD1 ILE A 123 -1.039 4.556 -6.248 1.00 0.00 C ATOM 0 H ILE A 123 -3.073 5.859 -8.955 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.054 4.460 -10.389 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.945 3.773 -8.108 1.00 0.00 H new ATOM 0 HG12 ILE A 123 0.044 4.381 -8.090 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.130 5.682 -8.070 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.425 1.954 -7.519 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -2.187 1.690 -9.106 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.497 2.239 -9.011 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.295 5.221 -5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.033 4.853 -5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.840 3.532 -5.933 1.00 0.00 H new ATOM 1152 N PHE A 124 -4.027 3.309 -11.031 1.00 0.00 N ATOM 1153 CA PHE A 124 -4.760 2.428 -11.981 1.00 0.00 C ATOM 1154 C PHE A 124 -4.509 2.746 -13.456 1.00 0.00 C ATOM 1155 O PHE A 124 -4.253 1.861 -14.270 1.00 0.00 O ATOM 1156 CB PHE A 124 -6.268 2.435 -11.678 1.00 0.00 C ATOM 1157 CG PHE A 124 -6.617 1.929 -10.281 1.00 0.00 C ATOM 1158 CD1 PHE A 124 -5.831 0.936 -9.659 1.00 0.00 C ATOM 1159 CD2 PHE A 124 -7.612 2.613 -9.555 1.00 0.00 C ATOM 1160 CE1 PHE A 124 -5.978 0.684 -8.291 1.00 0.00 C ATOM 1161 CE2 PHE A 124 -7.773 2.356 -8.187 1.00 0.00 C ATOM 1162 CZ PHE A 124 -6.938 1.414 -7.559 1.00 0.00 C ATOM 0 H PHE A 124 -4.628 3.834 -10.396 1.00 0.00 H new ATOM 0 HA PHE A 124 -4.357 1.428 -11.820 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -6.647 3.450 -11.792 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -6.781 1.818 -12.416 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -5.116 0.371 -10.239 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.248 3.332 -10.050 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.365 -0.059 -7.802 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.531 2.876 -7.620 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.034 1.246 -6.496 1.00 0.00 H new