USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 790 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 43 ASN : amide:sc= 0.875 K(o=0.89,f=-6.2!) USER MOD Set 1.2: A 58 TYR OH : rot -14:sc= 0.0187 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.28 (180deg=-0.369) USER MOD Single : A 3 GLN : amide:sc= -1.95! K(o=-2!,f=-0.44) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 174:sc= 1.34 (180deg=1.13) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 13 GLN : amide:sc= -0.375 X(o=-0.38,f=0) USER MOD Single : A 18 ASN : amide:sc=-0.000798! X(o=-0.0008!,f=-0.098) USER MOD Single : A 21 GLN : amide:sc= 0.328 X(o=0.33,f=-0.098) USER MOD Single : A 28 GLN : amide:sc= -0.242 K(o=-0.24,f=-2) USER MOD Single : A 29 THR OG1 : rot -89:sc= 1.28 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= -0.0528 (180deg=-0.319) USER MOD Single : A 52 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.56) USER MOD Single : A 53 LYS NZ :NH3+ 159:sc= -0.0526 (180deg=-0.351) USER MOD Single : A 56 ASN : amide:sc= -0.0146 K(o=-0.015,f=-1.1) USER MOD Single : A 57 ASN : amide:sc= -2.02 K(o=-2,f=-10!) USER MOD Single : A 59 GLN : amide:sc= -1.36 K(o=-1.4,f=-3.4) USER MOD Single : A 60 SER OG : rot 62:sc= 1.2 USER MOD Single : A 65 ASN : amide:sc= -0.174 K(o=-0.17,f=-3.5!) USER MOD Single : A 68 SER OG : rot 80:sc= 0.0858 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -114:sc= -0.192 (180deg=-1.32) USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.0897) USER MOD Single : A 82 ASN : amide:sc= -0.635 K(o=-0.64,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.873 X(o=-0.87,f=-1.3!) USER MOD Single : A 86 LYS NZ :NH3+ 133:sc= -2.38! (180deg=-4.97!) USER MOD Single : A 88 MET CE :methyl -146:sc= -1.02 (180deg=-3.25!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 91 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.9!) USER MOD Single : A 94 HIS : no HD1:sc= -0.7 X(o=-0.7,f=-0.43) USER MOD Single : A 95 HIS : no HD1:sc= 1.16 K(o=1.2,f=-5.2!) USER MOD Single : A 96 HIS : no HD1:sc= -0.0443 X(o=-0.044,f=-0.034) USER MOD Single : A 97 HIS : no HD1:sc= -0.379 X(o=-0.38,f=0.0007) USER MOD Single : A 98 HIS : no HD1:sc= -0.265 X(o=-0.26,f=-0.14) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.690 15.267 13.236 1.00 63.24 N ATOM 2 CA MET A 1 -4.252 14.952 13.073 1.00 21.31 C ATOM 3 C MET A 1 -4.063 13.572 12.446 1.00 22.44 C ATOM 4 O MET A 1 -2.934 13.158 12.178 1.00 74.34 O ATOM 5 CB MET A 1 -3.527 15.034 14.432 1.00 61.12 C ATOM 6 CG MET A 1 -3.962 13.982 15.445 1.00 64.21 C ATOM 7 SD MET A 1 -3.165 12.384 15.184 1.00 3.03 S ATOM 8 CE MET A 1 -4.124 11.341 16.277 1.00 35.05 C ATOM 0 H1 MET A 1 -5.793 16.154 13.770 1.00 63.24 H new ATOM 0 H2 MET A 1 -6.130 15.373 12.300 1.00 63.24 H new ATOM 0 H3 MET A 1 -6.158 14.495 13.753 1.00 63.24 H new ATOM 0 HA MET A 1 -3.815 15.690 12.401 1.00 21.31 H new ATOM 0 HB2 MET A 1 -2.454 14.936 14.264 1.00 61.12 H new ATOM 0 HB3 MET A 1 -3.694 16.023 14.859 1.00 61.12 H new ATOM 0 HG2 MET A 1 -3.734 14.336 16.450 1.00 64.21 H new ATOM 0 HG3 MET A 1 -5.043 13.856 15.389 1.00 64.21 H new ATOM 0 HE1 MET A 1 -3.750 10.319 16.226 1.00 35.05 H new ATOM 0 HE2 MET A 1 -4.037 11.708 17.300 1.00 35.05 H new ATOM 0 HE3 MET A 1 -5.170 11.360 15.972 1.00 35.05 H new ATOM 20 N ASP A 2 -5.170 12.863 12.204 1.00 65.33 N ATOM 21 CA ASP A 2 -5.106 11.503 11.668 1.00 43.23 C ATOM 22 C ASP A 2 -4.666 11.507 10.212 1.00 10.52 C ATOM 23 O ASP A 2 -5.495 11.536 9.298 1.00 14.13 O ATOM 24 CB ASP A 2 -6.457 10.793 11.792 1.00 53.51 C ATOM 25 CG ASP A 2 -6.882 10.577 13.228 1.00 12.34 C ATOM 26 OD1 ASP A 2 -6.398 9.618 13.865 1.00 54.51 O ATOM 27 OD2 ASP A 2 -7.707 11.373 13.728 1.00 3.03 O ATOM 0 H ASP A 2 -6.116 13.207 12.370 1.00 65.33 H new ATOM 0 HA ASP A 2 -4.368 10.960 12.259 1.00 43.23 H new ATOM 0 HB2 ASP A 2 -7.218 11.380 11.278 1.00 53.51 H new ATOM 0 HB3 ASP A 2 -6.402 9.829 11.286 1.00 53.51 H new ATOM 32 N GLN A 3 -3.359 11.479 10.008 1.00 43.12 N ATOM 33 CA GLN A 3 -2.778 11.507 8.674 1.00 45.02 C ATOM 34 C GLN A 3 -3.233 10.300 7.863 1.00 44.25 C ATOM 35 O GLN A 3 -3.515 10.418 6.673 1.00 64.02 O ATOM 36 CB GLN A 3 -1.250 11.548 8.766 1.00 22.53 C ATOM 37 CG GLN A 3 -0.717 12.792 9.464 1.00 23.23 C ATOM 38 CD GLN A 3 0.770 12.713 9.762 1.00 23.43 C ATOM 39 OE1 GLN A 3 1.468 13.729 9.798 1.00 65.12 O ATOM 40 NE2 GLN A 3 1.263 11.509 9.983 1.00 32.34 N ATOM 0 H GLN A 3 -2.671 11.436 10.760 1.00 43.12 H new ATOM 0 HA GLN A 3 -3.122 12.407 8.164 1.00 45.02 H new ATOM 0 HB2 GLN A 3 -0.902 10.664 9.300 1.00 22.53 H new ATOM 0 HB3 GLN A 3 -0.832 11.498 7.761 1.00 22.53 H new ATOM 0 HG2 GLN A 3 -0.911 13.664 8.839 1.00 23.23 H new ATOM 0 HG3 GLN A 3 -1.262 12.940 10.396 1.00 23.23 H new ATOM 0 HE21 GLN A 3 0.652 10.693 9.944 1.00 32.34 H new ATOM 0 HE22 GLN A 3 2.255 11.395 10.193 1.00 32.34 H new ATOM 49 N LEU A 4 -3.322 9.146 8.517 1.00 22.34 N ATOM 50 CA LEU A 4 -3.784 7.930 7.859 1.00 4.11 C ATOM 51 C LEU A 4 -5.206 8.100 7.338 1.00 54.02 C ATOM 52 O LEU A 4 -5.545 7.591 6.270 1.00 32.40 O ATOM 53 CB LEU A 4 -3.713 6.737 8.814 1.00 34.40 C ATOM 54 CG LEU A 4 -2.301 6.326 9.236 1.00 12.30 C ATOM 55 CD1 LEU A 4 -2.355 5.202 10.258 1.00 73.42 C ATOM 56 CD2 LEU A 4 -1.485 5.903 8.023 1.00 23.21 C ATOM 0 H LEU A 4 -3.080 9.028 9.501 1.00 22.34 H new ATOM 0 HA LEU A 4 -3.126 7.738 7.011 1.00 4.11 H new ATOM 0 HB2 LEU A 4 -4.289 6.973 9.709 1.00 34.40 H new ATOM 0 HB3 LEU A 4 -4.197 5.883 8.340 1.00 34.40 H new ATOM 0 HG LEU A 4 -1.816 7.187 9.696 1.00 12.30 H new ATOM 0 HD11 LEU A 4 -1.341 4.923 10.546 1.00 73.42 H new ATOM 0 HD12 LEU A 4 -2.903 5.537 11.138 1.00 73.42 H new ATOM 0 HD13 LEU A 4 -2.859 4.339 9.823 1.00 73.42 H new ATOM 0 HD21 LEU A 4 -0.483 5.614 8.341 1.00 23.21 H new ATOM 0 HD22 LEU A 4 -1.969 5.057 7.536 1.00 23.21 H new ATOM 0 HD23 LEU A 4 -1.417 6.735 7.322 1.00 23.21 H new ATOM 68 N LYS A 5 -6.026 8.846 8.071 1.00 31.24 N ATOM 69 CA LYS A 5 -7.398 9.084 7.651 1.00 52.11 C ATOM 70 C LYS A 5 -7.409 9.997 6.436 1.00 40.24 C ATOM 71 O LYS A 5 -8.108 9.735 5.459 1.00 44.51 O ATOM 72 CB LYS A 5 -8.220 9.710 8.777 1.00 13.54 C ATOM 73 CG LYS A 5 -9.644 10.045 8.360 1.00 41.12 C ATOM 74 CD LYS A 5 -10.375 10.837 9.430 1.00 70.31 C ATOM 75 CE LYS A 5 -11.738 11.301 8.939 1.00 72.22 C ATOM 76 NZ LYS A 5 -12.398 12.203 9.916 1.00 73.11 N ATOM 0 H LYS A 5 -5.766 9.292 8.951 1.00 31.24 H new ATOM 0 HA LYS A 5 -7.849 8.125 7.395 1.00 52.11 H new ATOM 0 HB2 LYS A 5 -8.247 9.024 9.624 1.00 13.54 H new ATOM 0 HB3 LYS A 5 -7.724 10.619 9.119 1.00 13.54 H new ATOM 0 HG2 LYS A 5 -9.626 10.618 7.433 1.00 41.12 H new ATOM 0 HG3 LYS A 5 -10.189 9.123 8.155 1.00 41.12 H new ATOM 0 HD2 LYS A 5 -10.497 10.222 10.321 1.00 70.31 H new ATOM 0 HD3 LYS A 5 -9.776 11.701 9.719 1.00 70.31 H new ATOM 0 HE2 LYS A 5 -11.624 11.818 7.986 1.00 72.22 H new ATOM 0 HE3 LYS A 5 -12.373 10.434 8.758 1.00 72.22 H new ATOM 0 HZ1 LYS A 5 -13.324 12.498 9.546 1.00 73.11 H new ATOM 0 HZ2 LYS A 5 -12.529 11.702 10.818 1.00 73.11 H new ATOM 0 HZ3 LYS A 5 -11.804 13.042 10.070 1.00 73.11 H new ATOM 90 N THR A 6 -6.617 11.059 6.507 1.00 33.44 N ATOM 91 CA THR A 6 -6.478 11.995 5.402 1.00 41.22 C ATOM 92 C THR A 6 -6.081 11.264 4.123 1.00 52.13 C ATOM 93 O THR A 6 -6.669 11.480 3.062 1.00 33.55 O ATOM 94 CB THR A 6 -5.419 13.061 5.735 1.00 24.34 C ATOM 95 OG1 THR A 6 -5.785 13.745 6.941 1.00 13.12 O ATOM 96 CG2 THR A 6 -5.265 14.060 4.598 1.00 24.32 C ATOM 0 H THR A 6 -6.057 11.294 7.327 1.00 33.44 H new ATOM 0 HA THR A 6 -7.441 12.481 5.247 1.00 41.22 H new ATOM 0 HB THR A 6 -4.461 12.559 5.875 1.00 24.34 H new ATOM 0 HG1 THR A 6 -5.108 14.422 7.151 1.00 13.12 H new ATOM 0 HG21 THR A 6 -4.510 14.800 4.864 1.00 24.32 H new ATOM 0 HG22 THR A 6 -4.957 13.536 3.693 1.00 24.32 H new ATOM 0 HG23 THR A 6 -6.217 14.560 4.422 1.00 24.32 H new ATOM 104 N ILE A 7 -5.099 10.382 4.241 1.00 0.01 N ATOM 105 CA ILE A 7 -4.619 9.605 3.109 1.00 51.42 C ATOM 106 C ILE A 7 -5.720 8.710 2.547 1.00 33.12 C ATOM 107 O ILE A 7 -5.919 8.649 1.332 1.00 10.25 O ATOM 108 CB ILE A 7 -3.399 8.752 3.505 1.00 42.04 C ATOM 109 CG1 ILE A 7 -2.258 9.664 3.968 1.00 52.10 C ATOM 110 CG2 ILE A 7 -2.953 7.886 2.334 1.00 61.40 C ATOM 111 CD1 ILE A 7 -1.143 8.939 4.689 1.00 14.55 C ATOM 0 H ILE A 7 -4.616 10.186 5.118 1.00 0.01 H new ATOM 0 HA ILE A 7 -4.317 10.309 2.334 1.00 51.42 H new ATOM 0 HB ILE A 7 -3.678 8.093 4.327 1.00 42.04 H new ATOM 0 HG12 ILE A 7 -1.842 10.177 3.101 1.00 52.10 H new ATOM 0 HG13 ILE A 7 -2.665 10.431 4.627 1.00 52.10 H new ATOM 0 HG21 ILE A 7 -2.090 7.290 2.630 1.00 61.40 H new ATOM 0 HG22 ILE A 7 -3.768 7.224 2.040 1.00 61.40 H new ATOM 0 HG23 ILE A 7 -2.682 8.524 1.493 1.00 61.40 H new ATOM 0 HD11 ILE A 7 -0.375 9.654 4.984 1.00 14.55 H new ATOM 0 HD12 ILE A 7 -1.542 8.449 5.577 1.00 14.55 H new ATOM 0 HD13 ILE A 7 -0.707 8.191 4.027 1.00 14.55 H new ATOM 123 N LYS A 8 -6.447 8.035 3.433 1.00 23.34 N ATOM 124 CA LYS A 8 -7.556 7.182 3.016 1.00 34.44 C ATOM 125 C LYS A 8 -8.617 7.998 2.287 1.00 34.22 C ATOM 126 O LYS A 8 -9.129 7.578 1.249 1.00 12.03 O ATOM 127 CB LYS A 8 -8.168 6.467 4.219 1.00 63.32 C ATOM 128 CG LYS A 8 -7.233 5.442 4.835 1.00 70.21 C ATOM 129 CD LYS A 8 -7.805 4.830 6.101 1.00 10.03 C ATOM 130 CE LYS A 8 -6.858 3.790 6.674 1.00 50.12 C ATOM 131 NZ LYS A 8 -7.358 3.224 7.951 1.00 12.02 N ATOM 0 H LYS A 8 -6.289 8.062 4.440 1.00 23.34 H new ATOM 0 HA LYS A 8 -7.167 6.430 2.329 1.00 34.44 H new ATOM 0 HB2 LYS A 8 -8.439 7.205 4.974 1.00 63.32 H new ATOM 0 HB3 LYS A 8 -9.089 5.972 3.911 1.00 63.32 H new ATOM 0 HG2 LYS A 8 -7.034 4.653 4.110 1.00 70.21 H new ATOM 0 HG3 LYS A 8 -6.277 5.915 5.062 1.00 70.21 H new ATOM 0 HD2 LYS A 8 -7.984 5.612 6.839 1.00 10.03 H new ATOM 0 HD3 LYS A 8 -8.769 4.370 5.884 1.00 10.03 H new ATOM 0 HE2 LYS A 8 -6.722 2.986 5.950 1.00 50.12 H new ATOM 0 HE3 LYS A 8 -5.879 4.242 6.837 1.00 50.12 H new ATOM 0 HZ1 LYS A 8 -6.735 2.449 8.255 1.00 12.02 H new ATOM 0 HZ2 LYS A 8 -7.367 3.966 8.680 1.00 12.02 H new ATOM 0 HZ3 LYS A 8 -8.323 2.860 7.815 1.00 12.02 H new ATOM 145 N GLU A 9 -8.924 9.170 2.829 1.00 11.32 N ATOM 146 CA GLU A 9 -9.854 10.096 2.195 1.00 32.10 C ATOM 147 C GLU A 9 -9.380 10.455 0.790 1.00 72.14 C ATOM 148 O GLU A 9 -10.170 10.491 -0.152 1.00 32.43 O ATOM 149 CB GLU A 9 -9.993 11.366 3.038 1.00 70.04 C ATOM 150 CG GLU A 9 -10.737 11.149 4.343 1.00 64.34 C ATOM 151 CD GLU A 9 -12.185 10.784 4.119 1.00 63.11 C ATOM 152 OE1 GLU A 9 -12.989 11.699 3.846 1.00 45.21 O ATOM 153 OE2 GLU A 9 -12.527 9.584 4.202 1.00 64.15 O ATOM 0 H GLU A 9 -8.539 9.503 3.713 1.00 11.32 H new ATOM 0 HA GLU A 9 -10.826 9.609 2.122 1.00 32.10 H new ATOM 0 HB2 GLU A 9 -9.000 11.758 3.256 1.00 70.04 H new ATOM 0 HB3 GLU A 9 -10.514 12.125 2.454 1.00 70.04 H new ATOM 0 HG2 GLU A 9 -10.248 10.358 4.911 1.00 64.34 H new ATOM 0 HG3 GLU A 9 -10.681 12.055 4.946 1.00 64.34 H new ATOM 160 N LEU A 10 -8.086 10.713 0.662 1.00 51.44 N ATOM 161 CA LEU A 10 -7.486 11.041 -0.625 1.00 51.33 C ATOM 162 C LEU A 10 -7.648 9.885 -1.609 1.00 34.32 C ATOM 163 O LEU A 10 -8.058 10.088 -2.751 1.00 23.43 O ATOM 164 CB LEU A 10 -6.005 11.381 -0.441 1.00 12.21 C ATOM 165 CG LEU A 10 -5.730 12.625 0.407 1.00 41.52 C ATOM 166 CD1 LEU A 10 -4.254 12.731 0.739 1.00 1.33 C ATOM 167 CD2 LEU A 10 -6.203 13.873 -0.318 1.00 74.01 C ATOM 0 H LEU A 10 -7.427 10.701 1.440 1.00 51.44 H new ATOM 0 HA LEU A 10 -8.000 11.910 -1.035 1.00 51.33 H new ATOM 0 HB2 LEU A 10 -5.506 10.528 0.019 1.00 12.21 H new ATOM 0 HB3 LEU A 10 -5.555 11.522 -1.424 1.00 12.21 H new ATOM 0 HG LEU A 10 -6.284 12.534 1.341 1.00 41.52 H new ATOM 0 HD11 LEU A 10 -4.080 13.622 1.342 1.00 1.33 H new ATOM 0 HD12 LEU A 10 -3.942 11.848 1.297 1.00 1.33 H new ATOM 0 HD13 LEU A 10 -3.678 12.799 -0.184 1.00 1.33 H new ATOM 0 HD21 LEU A 10 -6.001 14.750 0.297 1.00 74.01 H new ATOM 0 HD22 LEU A 10 -5.674 13.965 -1.266 1.00 74.01 H new ATOM 0 HD23 LEU A 10 -7.274 13.801 -0.506 1.00 74.01 H new ATOM 179 N ILE A 11 -7.351 8.673 -1.153 1.00 25.42 N ATOM 180 CA ILE A 11 -7.477 7.484 -1.989 1.00 20.25 C ATOM 181 C ILE A 11 -8.931 7.260 -2.404 1.00 65.41 C ATOM 182 O ILE A 11 -9.207 6.917 -3.554 1.00 52.51 O ATOM 183 CB ILE A 11 -6.938 6.229 -1.266 1.00 11.31 C ATOM 184 CG1 ILE A 11 -5.465 6.434 -0.893 1.00 73.13 C ATOM 185 CG2 ILE A 11 -7.103 4.989 -2.141 1.00 74.12 C ATOM 186 CD1 ILE A 11 -4.869 5.295 -0.096 1.00 5.52 C ATOM 0 H ILE A 11 -7.020 8.488 -0.206 1.00 25.42 H new ATOM 0 HA ILE A 11 -6.877 7.651 -2.884 1.00 20.25 H new ATOM 0 HB ILE A 11 -7.514 6.076 -0.354 1.00 11.31 H new ATOM 0 HG12 ILE A 11 -4.885 6.568 -1.806 1.00 73.13 H new ATOM 0 HG13 ILE A 11 -5.371 7.355 -0.318 1.00 73.13 H new ATOM 0 HG21 ILE A 11 -6.717 4.117 -1.613 1.00 74.12 H new ATOM 0 HG22 ILE A 11 -8.159 4.840 -2.365 1.00 74.12 H new ATOM 0 HG23 ILE A 11 -6.551 5.124 -3.071 1.00 74.12 H new ATOM 0 HD11 ILE A 11 -3.825 5.515 0.129 1.00 5.52 H new ATOM 0 HD12 ILE A 11 -5.423 5.173 0.835 1.00 5.52 H new ATOM 0 HD13 ILE A 11 -4.929 4.374 -0.676 1.00 5.52 H new ATOM 198 N ASN A 12 -9.857 7.485 -1.474 1.00 33.32 N ATOM 199 CA ASN A 12 -11.286 7.352 -1.761 1.00 63.21 C ATOM 200 C ASN A 12 -11.714 8.320 -2.855 1.00 23.25 C ATOM 201 O ASN A 12 -12.587 8.011 -3.668 1.00 21.43 O ATOM 202 CB ASN A 12 -12.125 7.615 -0.507 1.00 44.31 C ATOM 203 CG ASN A 12 -11.986 6.532 0.541 1.00 31.45 C ATOM 204 OD1 ASN A 12 -11.746 5.368 0.223 1.00 14.02 O ATOM 205 ND2 ASN A 12 -12.149 6.910 1.797 1.00 43.04 N ATOM 0 H ASN A 12 -9.645 7.760 -0.515 1.00 33.32 H new ATOM 0 HA ASN A 12 -11.454 6.329 -2.098 1.00 63.21 H new ATOM 0 HB2 ASN A 12 -11.830 8.571 -0.074 1.00 44.31 H new ATOM 0 HB3 ASN A 12 -13.173 7.704 -0.791 1.00 44.31 H new ATOM 0 HD21 ASN A 12 -12.077 6.225 2.549 1.00 43.04 H new ATOM 0 HD22 ASN A 12 -12.347 7.887 2.014 1.00 43.04 H new ATOM 212 N GLN A 13 -11.098 9.495 -2.863 1.00 23.35 N ATOM 213 CA GLN A 13 -11.400 10.519 -3.857 1.00 45.54 C ATOM 214 C GLN A 13 -10.692 10.223 -5.170 1.00 22.44 C ATOM 215 O GLN A 13 -11.180 10.573 -6.242 1.00 71.13 O ATOM 216 CB GLN A 13 -10.980 11.893 -3.340 1.00 43.15 C ATOM 217 CG GLN A 13 -11.761 12.341 -2.122 1.00 53.41 C ATOM 218 CD GLN A 13 -11.187 13.593 -1.494 1.00 30.33 C ATOM 219 OE1 GLN A 13 -11.539 14.709 -1.870 1.00 54.11 O ATOM 220 NE2 GLN A 13 -10.305 13.413 -0.525 1.00 3.00 N ATOM 0 H GLN A 13 -10.382 9.764 -2.188 1.00 23.35 H new ATOM 0 HA GLN A 13 -12.475 10.515 -4.035 1.00 45.54 H new ATOM 0 HB2 GLN A 13 -9.918 11.872 -3.094 1.00 43.15 H new ATOM 0 HB3 GLN A 13 -11.108 12.627 -4.135 1.00 43.15 H new ATOM 0 HG2 GLN A 13 -12.798 12.523 -2.406 1.00 53.41 H new ATOM 0 HG3 GLN A 13 -11.769 11.539 -1.384 1.00 53.41 H new ATOM 0 HE21 GLN A 13 -10.041 12.468 -0.244 1.00 3.00 H new ATOM 0 HE22 GLN A 13 -9.889 14.219 -0.058 1.00 3.00 H new ATOM 229 N GLY A 14 -9.543 9.577 -5.079 1.00 1.34 N ATOM 230 CA GLY A 14 -8.770 9.271 -6.263 1.00 50.22 C ATOM 231 C GLY A 14 -7.533 10.135 -6.370 1.00 50.14 C ATOM 232 O GLY A 14 -6.856 10.141 -7.402 1.00 42.32 O ATOM 0 H GLY A 14 -9.129 9.257 -4.203 1.00 1.34 H new ATOM 0 HA2 GLY A 14 -8.478 8.221 -6.244 1.00 50.22 H new ATOM 0 HA3 GLY A 14 -9.390 9.414 -7.148 1.00 50.22 H new ATOM 236 N ASP A 15 -7.233 10.866 -5.303 1.00 14.42 N ATOM 237 CA ASP A 15 -6.056 11.724 -5.278 1.00 25.00 C ATOM 238 C ASP A 15 -4.847 10.927 -4.804 1.00 3.43 C ATOM 239 O ASP A 15 -4.491 10.933 -3.620 1.00 32.11 O ATOM 240 CB ASP A 15 -6.273 12.936 -4.376 1.00 51.32 C ATOM 241 CG ASP A 15 -5.274 14.039 -4.658 1.00 43.01 C ATOM 242 OD1 ASP A 15 -4.057 13.757 -4.721 1.00 41.33 O ATOM 243 OD2 ASP A 15 -5.704 15.193 -4.841 1.00 51.34 O ATOM 0 H ASP A 15 -7.787 10.882 -4.447 1.00 14.42 H new ATOM 0 HA ASP A 15 -5.877 12.088 -6.290 1.00 25.00 H new ATOM 0 HB2 ASP A 15 -7.284 13.317 -4.518 1.00 51.32 H new ATOM 0 HB3 ASP A 15 -6.191 12.631 -3.333 1.00 51.32 H new ATOM 248 N ILE A 16 -4.238 10.219 -5.737 1.00 72.52 N ATOM 249 CA ILE A 16 -3.140 9.323 -5.428 1.00 32.13 C ATOM 250 C ILE A 16 -1.875 10.084 -5.056 1.00 11.23 C ATOM 251 O ILE A 16 -1.152 9.684 -4.148 1.00 64.24 O ATOM 252 CB ILE A 16 -2.850 8.378 -6.610 1.00 33.21 C ATOM 253 CG1 ILE A 16 -4.109 7.587 -6.976 1.00 53.21 C ATOM 254 CG2 ILE A 16 -1.710 7.431 -6.272 1.00 11.20 C ATOM 255 CD1 ILE A 16 -4.690 6.798 -5.820 1.00 30.34 C ATOM 0 H ILE A 16 -4.489 10.248 -6.725 1.00 72.52 H new ATOM 0 HA ILE A 16 -3.447 8.732 -4.565 1.00 32.13 H new ATOM 0 HB ILE A 16 -2.552 8.980 -7.468 1.00 33.21 H new ATOM 0 HG12 ILE A 16 -4.865 8.277 -7.350 1.00 53.21 H new ATOM 0 HG13 ILE A 16 -3.873 6.902 -7.790 1.00 53.21 H new ATOM 0 HG21 ILE A 16 -1.521 6.772 -7.119 1.00 11.20 H new ATOM 0 HG22 ILE A 16 -0.811 8.007 -6.053 1.00 11.20 H new ATOM 0 HG23 ILE A 16 -1.979 6.834 -5.401 1.00 11.20 H new ATOM 0 HD11 ILE A 16 -5.579 6.264 -6.155 1.00 30.34 H new ATOM 0 HD12 ILE A 16 -3.951 6.082 -5.460 1.00 30.34 H new ATOM 0 HD13 ILE A 16 -4.959 7.480 -5.013 1.00 30.34 H new ATOM 267 N GLU A 17 -1.619 11.191 -5.735 1.00 60.53 N ATOM 268 CA GLU A 17 -0.375 11.921 -5.537 1.00 23.55 C ATOM 269 C GLU A 17 -0.296 12.533 -4.143 1.00 10.21 C ATOM 270 O GLU A 17 0.765 12.514 -3.520 1.00 51.40 O ATOM 271 CB GLU A 17 -0.196 12.988 -6.612 1.00 62.54 C ATOM 272 CG GLU A 17 0.049 12.398 -7.989 1.00 0.44 C ATOM 273 CD GLU A 17 0.334 13.448 -9.038 1.00 35.31 C ATOM 274 OE1 GLU A 17 1.515 13.804 -9.227 1.00 12.13 O ATOM 275 OE2 GLU A 17 -0.618 13.918 -9.687 1.00 75.32 O ATOM 0 H GLU A 17 -2.250 11.602 -6.423 1.00 60.53 H new ATOM 0 HA GLU A 17 0.443 11.206 -5.625 1.00 23.55 H new ATOM 0 HB2 GLU A 17 -1.085 13.618 -6.644 1.00 62.54 H new ATOM 0 HB3 GLU A 17 0.641 13.632 -6.343 1.00 62.54 H new ATOM 0 HG2 GLU A 17 0.890 11.706 -7.938 1.00 0.44 H new ATOM 0 HG3 GLU A 17 -0.823 11.818 -8.291 1.00 0.44 H new ATOM 282 N ASN A 18 -1.410 13.063 -3.644 1.00 62.35 N ATOM 283 CA ASN A 18 -1.439 13.581 -2.280 1.00 72.04 C ATOM 284 C ASN A 18 -1.322 12.436 -1.285 1.00 51.21 C ATOM 285 O ASN A 18 -0.632 12.550 -0.270 1.00 50.43 O ATOM 286 CB ASN A 18 -2.712 14.389 -2.004 1.00 73.13 C ATOM 287 CG ASN A 18 -2.621 15.821 -2.498 1.00 20.23 C ATOM 288 OD1 ASN A 18 -2.152 16.706 -1.782 1.00 32.42 O ATOM 289 ND2 ASN A 18 -3.086 16.064 -3.710 1.00 12.23 N ATOM 0 H ASN A 18 -2.290 13.144 -4.154 1.00 62.35 H new ATOM 0 HA ASN A 18 -0.589 14.253 -2.163 1.00 72.04 H new ATOM 0 HB2 ASN A 18 -3.559 13.898 -2.483 1.00 73.13 H new ATOM 0 HB3 ASN A 18 -2.909 14.392 -0.932 1.00 73.13 H new ATOM 0 HD21 ASN A 18 -3.064 17.013 -4.084 1.00 12.23 H new ATOM 0 HD22 ASN A 18 -3.467 15.303 -4.272 1.00 12.23 H new ATOM 296 N ALA A 19 -1.986 11.327 -1.590 1.00 4.41 N ATOM 297 CA ALA A 19 -1.919 10.148 -0.742 1.00 54.33 C ATOM 298 C ALA A 19 -0.486 9.637 -0.627 1.00 73.03 C ATOM 299 O ALA A 19 0.031 9.468 0.475 1.00 14.21 O ATOM 300 CB ALA A 19 -2.833 9.058 -1.281 1.00 43.35 C ATOM 0 H ALA A 19 -2.575 11.222 -2.416 1.00 4.41 H new ATOM 0 HA ALA A 19 -2.257 10.426 0.256 1.00 54.33 H new ATOM 0 HB1 ALA A 19 -2.773 8.181 -0.636 1.00 43.35 H new ATOM 0 HB2 ALA A 19 -3.860 9.422 -1.303 1.00 43.35 H new ATOM 0 HB3 ALA A 19 -2.522 8.788 -2.290 1.00 43.35 H new ATOM 306 N LEU A 20 0.157 9.424 -1.772 1.00 75.23 N ATOM 307 CA LEU A 20 1.506 8.858 -1.816 1.00 34.55 C ATOM 308 C LEU A 20 2.508 9.683 -1.016 1.00 42.34 C ATOM 309 O LEU A 20 3.236 9.138 -0.185 1.00 31.32 O ATOM 310 CB LEU A 20 1.992 8.736 -3.261 1.00 2.11 C ATOM 311 CG LEU A 20 1.262 7.703 -4.118 1.00 25.23 C ATOM 312 CD1 LEU A 20 1.847 7.669 -5.522 1.00 55.14 C ATOM 313 CD2 LEU A 20 1.336 6.330 -3.467 1.00 72.34 C ATOM 0 H LEU A 20 -0.236 9.636 -2.689 1.00 75.23 H new ATOM 0 HA LEU A 20 1.444 7.869 -1.361 1.00 34.55 H new ATOM 0 HB2 LEU A 20 1.899 9.711 -3.740 1.00 2.11 H new ATOM 0 HB3 LEU A 20 3.053 8.487 -3.249 1.00 2.11 H new ATOM 0 HG LEU A 20 0.213 7.989 -4.194 1.00 25.23 H new ATOM 0 HD11 LEU A 20 1.316 6.928 -6.120 1.00 55.14 H new ATOM 0 HD12 LEU A 20 1.742 8.651 -5.984 1.00 55.14 H new ATOM 0 HD13 LEU A 20 2.903 7.404 -5.470 1.00 55.14 H new ATOM 0 HD21 LEU A 20 0.812 5.604 -4.088 1.00 72.34 H new ATOM 0 HD22 LEU A 20 2.379 6.032 -3.363 1.00 72.34 H new ATOM 0 HD23 LEU A 20 0.870 6.369 -2.482 1.00 72.34 H new ATOM 325 N GLN A 21 2.547 10.988 -1.263 1.00 22.11 N ATOM 326 CA GLN A 21 3.522 11.858 -0.610 1.00 43.44 C ATOM 327 C GLN A 21 3.329 11.865 0.905 1.00 23.45 C ATOM 328 O GLN A 21 4.300 11.862 1.660 1.00 30.43 O ATOM 329 CB GLN A 21 3.444 13.281 -1.174 1.00 52.03 C ATOM 330 CG GLN A 21 2.088 13.942 -1.000 1.00 61.15 C ATOM 331 CD GLN A 21 1.990 15.261 -1.737 1.00 43.33 C ATOM 332 OE1 GLN A 21 2.287 16.318 -1.187 1.00 5.44 O ATOM 333 NE2 GLN A 21 1.576 15.201 -2.992 1.00 11.30 N ATOM 0 H GLN A 21 1.918 11.466 -1.908 1.00 22.11 H new ATOM 0 HA GLN A 21 4.516 11.461 -0.818 1.00 43.44 H new ATOM 0 HB2 GLN A 21 4.201 13.896 -0.687 1.00 52.03 H new ATOM 0 HB3 GLN A 21 3.690 13.254 -2.236 1.00 52.03 H new ATOM 0 HG2 GLN A 21 1.310 13.269 -1.360 1.00 61.15 H new ATOM 0 HG3 GLN A 21 1.901 14.107 0.061 1.00 61.15 H new ATOM 0 HE21 GLN A 21 1.340 14.300 -3.409 1.00 11.30 H new ATOM 0 HE22 GLN A 21 1.493 16.055 -3.543 1.00 11.30 H new ATOM 342 N ALA A 22 2.078 11.842 1.349 1.00 3.21 N ATOM 343 CA ALA A 22 1.783 11.823 2.775 1.00 32.21 C ATOM 344 C ALA A 22 2.137 10.466 3.381 1.00 63.41 C ATOM 345 O ALA A 22 2.546 10.375 4.539 1.00 21.13 O ATOM 346 CB ALA A 22 0.318 12.153 3.016 1.00 55.51 C ATOM 0 H ALA A 22 1.256 11.836 0.745 1.00 3.21 H new ATOM 0 HA ALA A 22 2.393 12.582 3.264 1.00 32.21 H new ATOM 0 HB1 ALA A 22 0.112 12.135 4.086 1.00 55.51 H new ATOM 0 HB2 ALA A 22 0.099 13.145 2.621 1.00 55.51 H new ATOM 0 HB3 ALA A 22 -0.308 11.416 2.514 1.00 55.51 H new ATOM 352 N LEU A 23 1.990 9.417 2.581 1.00 51.31 N ATOM 353 CA LEU A 23 2.286 8.058 3.019 1.00 72.23 C ATOM 354 C LEU A 23 3.767 7.880 3.320 1.00 40.43 C ATOM 355 O LEU A 23 4.134 7.401 4.392 1.00 74.04 O ATOM 356 CB LEU A 23 1.841 7.057 1.955 1.00 51.12 C ATOM 357 CG LEU A 23 0.337 6.815 1.897 1.00 50.23 C ATOM 358 CD1 LEU A 23 -0.049 6.116 0.605 1.00 75.23 C ATOM 359 CD2 LEU A 23 -0.102 5.995 3.100 1.00 15.42 C ATOM 0 H LEU A 23 1.664 9.483 1.617 1.00 51.31 H new ATOM 0 HA LEU A 23 1.734 7.874 3.941 1.00 72.23 H new ATOM 0 HB2 LEU A 23 2.176 7.411 0.980 1.00 51.12 H new ATOM 0 HB3 LEU A 23 2.341 6.106 2.138 1.00 51.12 H new ATOM 0 HG LEU A 23 -0.172 7.779 1.922 1.00 50.23 H new ATOM 0 HD11 LEU A 23 -1.127 5.954 0.587 1.00 75.23 H new ATOM 0 HD12 LEU A 23 0.239 6.736 -0.244 1.00 75.23 H new ATOM 0 HD13 LEU A 23 0.463 5.156 0.544 1.00 75.23 H new ATOM 0 HD21 LEU A 23 -1.178 5.826 3.052 1.00 15.42 H new ATOM 0 HD22 LEU A 23 0.417 5.036 3.096 1.00 15.42 H new ATOM 0 HD23 LEU A 23 0.140 6.534 4.016 1.00 15.42 H new ATOM 371 N GLU A 24 4.616 8.267 2.377 1.00 4.44 N ATOM 372 CA GLU A 24 6.052 8.113 2.555 1.00 34.34 C ATOM 373 C GLU A 24 6.561 9.008 3.680 1.00 70.40 C ATOM 374 O GLU A 24 7.473 8.626 4.411 1.00 35.22 O ATOM 375 CB GLU A 24 6.799 8.381 1.245 1.00 13.44 C ATOM 376 CG GLU A 24 6.437 9.691 0.574 1.00 73.14 C ATOM 377 CD GLU A 24 7.106 9.841 -0.773 1.00 41.15 C ATOM 378 OE1 GLU A 24 6.631 9.223 -1.749 1.00 23.50 O ATOM 379 OE2 GLU A 24 8.120 10.561 -0.861 1.00 43.01 O ATOM 0 H GLU A 24 4.338 8.686 1.489 1.00 4.44 H new ATOM 0 HA GLU A 24 6.249 7.080 2.841 1.00 34.34 H new ATOM 0 HB2 GLU A 24 7.871 8.373 1.444 1.00 13.44 H new ATOM 0 HB3 GLU A 24 6.597 7.564 0.552 1.00 13.44 H new ATOM 0 HG2 GLU A 24 5.356 9.748 0.450 1.00 73.14 H new ATOM 0 HG3 GLU A 24 6.728 10.521 1.218 1.00 73.14 H new ATOM 386 N GLU A 25 5.953 10.184 3.840 1.00 44.45 N ATOM 387 CA GLU A 25 6.297 11.066 4.956 1.00 64.33 C ATOM 388 C GLU A 25 5.958 10.400 6.280 1.00 30.03 C ATOM 389 O GLU A 25 6.739 10.457 7.231 1.00 14.21 O ATOM 390 CB GLU A 25 5.571 12.412 4.870 1.00 61.52 C ATOM 391 CG GLU A 25 6.073 13.320 3.762 1.00 42.01 C ATOM 392 CD GLU A 25 5.625 14.757 3.947 1.00 34.55 C ATOM 393 OE1 GLU A 25 4.525 14.977 4.495 1.00 72.03 O ATOM 394 OE2 GLU A 25 6.388 15.675 3.576 1.00 2.33 O ATOM 0 H GLU A 25 5.228 10.545 3.219 1.00 44.45 H new ATOM 0 HA GLU A 25 7.369 11.252 4.896 1.00 64.33 H new ATOM 0 HB2 GLU A 25 4.507 12.229 4.721 1.00 61.52 H new ATOM 0 HB3 GLU A 25 5.675 12.930 5.824 1.00 61.52 H new ATOM 0 HG2 GLU A 25 7.162 13.283 3.730 1.00 42.01 H new ATOM 0 HG3 GLU A 25 5.713 12.951 2.802 1.00 42.01 H new ATOM 401 N PHE A 26 4.792 9.764 6.328 1.00 71.43 N ATOM 402 CA PHE A 26 4.336 9.061 7.523 1.00 11.45 C ATOM 403 C PHE A 26 5.360 8.010 7.945 1.00 50.33 C ATOM 404 O PHE A 26 5.651 7.848 9.129 1.00 34.32 O ATOM 405 CB PHE A 26 2.982 8.394 7.248 1.00 3.24 C ATOM 406 CG PHE A 26 2.343 7.773 8.460 1.00 3.52 C ATOM 407 CD1 PHE A 26 2.595 6.454 8.797 1.00 54.45 C ATOM 408 CD2 PHE A 26 1.481 8.509 9.256 1.00 53.32 C ATOM 409 CE1 PHE A 26 2.002 5.884 9.905 1.00 61.44 C ATOM 410 CE2 PHE A 26 0.886 7.945 10.366 1.00 52.55 C ATOM 411 CZ PHE A 26 1.147 6.629 10.690 1.00 51.40 C ATOM 0 H PHE A 26 4.140 9.721 5.545 1.00 71.43 H new ATOM 0 HA PHE A 26 4.223 9.781 8.333 1.00 11.45 H new ATOM 0 HB2 PHE A 26 2.301 9.137 6.833 1.00 3.24 H new ATOM 0 HB3 PHE A 26 3.116 7.625 6.488 1.00 3.24 H new ATOM 0 HD1 PHE A 26 3.263 5.865 8.186 1.00 54.45 H new ATOM 0 HD2 PHE A 26 1.272 9.538 9.005 1.00 53.32 H new ATOM 0 HE1 PHE A 26 2.207 4.854 10.158 1.00 61.44 H new ATOM 0 HE2 PHE A 26 0.218 8.532 10.979 1.00 52.55 H new ATOM 0 HZ PHE A 26 0.682 6.183 11.557 1.00 51.40 H new ATOM 421 N LEU A 27 5.923 7.324 6.958 1.00 33.43 N ATOM 422 CA LEU A 27 6.906 6.271 7.198 1.00 55.14 C ATOM 423 C LEU A 27 8.178 6.836 7.822 1.00 24.22 C ATOM 424 O LEU A 27 8.952 6.116 8.453 1.00 11.04 O ATOM 425 CB LEU A 27 7.256 5.579 5.880 1.00 2.32 C ATOM 426 CG LEU A 27 6.064 5.050 5.089 1.00 44.31 C ATOM 427 CD1 LEU A 27 6.515 4.524 3.741 1.00 44.32 C ATOM 428 CD2 LEU A 27 5.346 3.964 5.869 1.00 54.25 C ATOM 0 H LEU A 27 5.713 7.480 5.972 1.00 33.43 H new ATOM 0 HA LEU A 27 6.468 5.553 7.891 1.00 55.14 H new ATOM 0 HB2 LEU A 27 7.805 6.282 5.253 1.00 2.32 H new ATOM 0 HB3 LEU A 27 7.929 4.748 6.092 1.00 2.32 H new ATOM 0 HG LEU A 27 5.368 5.872 4.925 1.00 44.31 H new ATOM 0 HD11 LEU A 27 5.653 4.150 3.189 1.00 44.32 H new ATOM 0 HD12 LEU A 27 6.987 5.328 3.176 1.00 44.32 H new ATOM 0 HD13 LEU A 27 7.231 3.715 3.887 1.00 44.32 H new ATOM 0 HD21 LEU A 27 4.499 3.599 5.289 1.00 54.25 H new ATOM 0 HD22 LEU A 27 6.034 3.141 6.064 1.00 54.25 H new ATOM 0 HD23 LEU A 27 4.989 4.371 6.815 1.00 54.25 H new ATOM 440 N GLN A 28 8.391 8.127 7.626 1.00 53.11 N ATOM 441 CA GLN A 28 9.600 8.790 8.091 1.00 30.42 C ATOM 442 C GLN A 28 9.416 9.372 9.489 1.00 10.54 C ATOM 443 O GLN A 28 10.386 9.764 10.132 1.00 41.22 O ATOM 444 CB GLN A 28 9.990 9.907 7.121 1.00 33.41 C ATOM 445 CG GLN A 28 10.104 9.449 5.674 1.00 24.03 C ATOM 446 CD GLN A 28 10.222 10.609 4.705 1.00 15.21 C ATOM 447 OE1 GLN A 28 9.737 11.708 4.970 1.00 62.12 O ATOM 448 NE2 GLN A 28 10.858 10.374 3.568 1.00 61.21 N ATOM 0 H GLN A 28 7.736 8.742 7.143 1.00 53.11 H new ATOM 0 HA GLN A 28 10.393 8.043 8.133 1.00 30.42 H new ATOM 0 HB2 GLN A 28 9.250 10.705 7.183 1.00 33.41 H new ATOM 0 HB3 GLN A 28 10.944 10.332 7.435 1.00 33.41 H new ATOM 0 HG2 GLN A 28 10.975 8.802 5.569 1.00 24.03 H new ATOM 0 HG3 GLN A 28 9.230 8.851 5.416 1.00 24.03 H new ATOM 0 HE21 GLN A 28 11.247 9.450 3.383 1.00 61.21 H new ATOM 0 HE22 GLN A 28 10.959 11.117 2.877 1.00 61.21 H new ATOM 457 N THR A 29 8.184 9.425 9.969 1.00 70.12 N ATOM 458 CA THR A 29 7.913 10.123 11.215 1.00 34.54 C ATOM 459 C THR A 29 7.112 9.273 12.206 1.00 23.51 C ATOM 460 O THR A 29 7.393 9.293 13.403 1.00 62.33 O ATOM 461 CB THR A 29 7.208 11.476 10.954 1.00 51.53 C ATOM 462 OG1 THR A 29 6.901 12.129 12.190 1.00 73.32 O ATOM 463 CG2 THR A 29 5.936 11.296 10.140 1.00 5.15 C ATOM 0 H THR A 29 7.369 9.002 9.525 1.00 70.12 H new ATOM 0 HA THR A 29 8.880 10.320 11.678 1.00 34.54 H new ATOM 0 HB THR A 29 7.896 12.096 10.379 1.00 51.53 H new ATOM 0 HG1 THR A 29 6.017 11.842 12.501 1.00 73.32 H new ATOM 0 HG21 THR A 29 5.468 12.267 9.976 1.00 5.15 H new ATOM 0 HG22 THR A 29 6.180 10.844 9.179 1.00 5.15 H new ATOM 0 HG23 THR A 29 5.247 10.648 10.681 1.00 5.15 H new ATOM 471 N GLU A 30 6.133 8.517 11.722 1.00 24.33 N ATOM 472 CA GLU A 30 5.323 7.669 12.590 1.00 63.40 C ATOM 473 C GLU A 30 5.578 6.194 12.291 1.00 4.14 C ATOM 474 O GLU A 30 4.886 5.580 11.479 1.00 73.53 O ATOM 475 CB GLU A 30 3.830 7.982 12.448 1.00 41.54 C ATOM 476 CG GLU A 30 3.347 9.172 13.273 1.00 23.33 C ATOM 477 CD GLU A 30 3.843 10.509 12.763 1.00 73.12 C ATOM 478 OE1 GLU A 30 3.251 11.042 11.799 1.00 72.31 O ATOM 479 OE2 GLU A 30 4.812 11.044 13.330 1.00 32.41 O ATOM 0 H GLU A 30 5.881 8.474 10.735 1.00 24.33 H new ATOM 0 HA GLU A 30 5.617 7.879 13.618 1.00 63.40 H new ATOM 0 HB2 GLU A 30 3.611 8.173 11.397 1.00 41.54 H new ATOM 0 HB3 GLU A 30 3.259 7.100 12.738 1.00 41.54 H new ATOM 0 HG2 GLU A 30 2.257 9.178 13.281 1.00 23.33 H new ATOM 0 HG3 GLU A 30 3.673 9.043 14.305 1.00 23.33 H new ATOM 486 N PRO A 31 6.595 5.614 12.939 1.00 2.50 N ATOM 487 CA PRO A 31 6.995 4.219 12.721 1.00 64.03 C ATOM 488 C PRO A 31 5.965 3.203 13.200 1.00 3.23 C ATOM 489 O PRO A 31 5.980 2.048 12.779 1.00 61.12 O ATOM 490 CB PRO A 31 8.279 4.085 13.543 1.00 14.22 C ATOM 491 CG PRO A 31 8.183 5.150 14.578 1.00 61.12 C ATOM 492 CD PRO A 31 7.459 6.287 13.921 1.00 33.20 C ATOM 0 HA PRO A 31 7.111 4.010 11.658 1.00 64.03 H new ATOM 0 HB2 PRO A 31 8.356 3.097 13.998 1.00 14.22 H new ATOM 0 HB3 PRO A 31 9.163 4.218 12.920 1.00 14.22 H new ATOM 0 HG2 PRO A 31 7.642 4.796 15.456 1.00 61.12 H new ATOM 0 HG3 PRO A 31 9.172 5.458 14.916 1.00 61.12 H new ATOM 0 HD2 PRO A 31 6.877 6.863 14.641 1.00 33.20 H new ATOM 0 HD3 PRO A 31 8.150 6.980 13.441 1.00 33.20 H new ATOM 500 N VAL A 32 5.062 3.641 14.055 1.00 72.42 N ATOM 501 CA VAL A 32 4.146 2.730 14.721 1.00 4.44 C ATOM 502 C VAL A 32 3.049 2.216 13.780 1.00 74.32 C ATOM 503 O VAL A 32 2.574 1.090 13.925 1.00 52.42 O ATOM 504 CB VAL A 32 3.515 3.394 15.970 1.00 32.22 C ATOM 505 CG1 VAL A 32 2.729 4.640 15.591 1.00 45.25 C ATOM 506 CG2 VAL A 32 2.635 2.411 16.729 1.00 3.31 C ATOM 0 H VAL A 32 4.941 4.622 14.306 1.00 72.42 H new ATOM 0 HA VAL A 32 4.734 1.869 15.038 1.00 4.44 H new ATOM 0 HB VAL A 32 4.329 3.696 16.629 1.00 32.22 H new ATOM 0 HG11 VAL A 32 2.298 5.085 16.488 1.00 45.25 H new ATOM 0 HG12 VAL A 32 3.395 5.359 15.114 1.00 45.25 H new ATOM 0 HG13 VAL A 32 1.931 4.370 14.900 1.00 45.25 H new ATOM 0 HG21 VAL A 32 2.206 2.905 17.601 1.00 3.31 H new ATOM 0 HG22 VAL A 32 1.833 2.062 16.078 1.00 3.31 H new ATOM 0 HG23 VAL A 32 3.235 1.561 17.053 1.00 3.31 H new ATOM 516 N GLY A 33 2.672 3.024 12.800 1.00 2.11 N ATOM 517 CA GLY A 33 1.583 2.646 11.921 1.00 62.21 C ATOM 518 C GLY A 33 2.014 2.536 10.478 1.00 22.33 C ATOM 519 O GLY A 33 1.241 2.838 9.570 1.00 31.12 O ATOM 0 H GLY A 33 3.097 3.929 12.598 1.00 2.11 H new ATOM 0 HA2 GLY A 33 1.172 1.691 12.248 1.00 62.21 H new ATOM 0 HA3 GLY A 33 0.783 3.382 12.002 1.00 62.21 H new ATOM 523 N LYS A 34 3.247 2.099 10.256 1.00 54.04 N ATOM 524 CA LYS A 34 3.777 2.000 8.903 1.00 64.21 C ATOM 525 C LYS A 34 3.052 0.934 8.096 1.00 1.45 C ATOM 526 O LYS A 34 2.910 1.064 6.885 1.00 13.31 O ATOM 527 CB LYS A 34 5.274 1.693 8.905 1.00 54.01 C ATOM 528 CG LYS A 34 6.134 2.779 9.523 1.00 51.32 C ATOM 529 CD LYS A 34 7.594 2.595 9.146 1.00 62.51 C ATOM 530 CE LYS A 34 8.509 3.432 10.017 1.00 31.11 C ATOM 531 NZ LYS A 34 9.940 3.250 9.659 1.00 23.45 N ATOM 0 H LYS A 34 3.894 1.810 10.989 1.00 54.04 H new ATOM 0 HA LYS A 34 3.615 2.972 8.437 1.00 64.21 H new ATOM 0 HB2 LYS A 34 5.441 0.762 9.446 1.00 54.01 H new ATOM 0 HB3 LYS A 34 5.600 1.528 7.878 1.00 54.01 H new ATOM 0 HG2 LYS A 34 5.788 3.757 9.188 1.00 51.32 H new ATOM 0 HG3 LYS A 34 6.029 2.758 10.608 1.00 51.32 H new ATOM 0 HD2 LYS A 34 7.864 1.543 9.240 1.00 62.51 H new ATOM 0 HD3 LYS A 34 7.737 2.868 8.101 1.00 62.51 H new ATOM 0 HE2 LYS A 34 8.242 4.484 9.917 1.00 31.11 H new ATOM 0 HE3 LYS A 34 8.360 3.163 11.063 1.00 31.11 H new ATOM 0 HZ1 LYS A 34 10.531 3.840 10.279 1.00 23.45 H new ATOM 0 HZ2 LYS A 34 10.203 2.251 9.778 1.00 23.45 H new ATOM 0 HZ3 LYS A 34 10.089 3.531 8.669 1.00 23.45 H new ATOM 545 N ASP A 35 2.583 -0.112 8.765 1.00 23.41 N ATOM 546 CA ASP A 35 1.947 -1.230 8.076 1.00 32.03 C ATOM 547 C ASP A 35 0.606 -0.809 7.483 1.00 62.15 C ATOM 548 O ASP A 35 0.227 -1.272 6.406 1.00 54.23 O ATOM 549 CB ASP A 35 1.790 -2.441 9.010 1.00 21.40 C ATOM 550 CG ASP A 35 0.869 -2.189 10.187 1.00 70.20 C ATOM 551 OD1 ASP A 35 1.104 -1.213 10.937 1.00 51.15 O ATOM 552 OD2 ASP A 35 -0.078 -2.980 10.377 1.00 14.32 O ATOM 0 H ASP A 35 2.630 -0.210 9.779 1.00 23.41 H new ATOM 0 HA ASP A 35 2.596 -1.533 7.254 1.00 32.03 H new ATOM 0 HB2 ASP A 35 1.408 -3.284 8.435 1.00 21.40 H new ATOM 0 HB3 ASP A 35 2.772 -2.729 9.384 1.00 21.40 H new ATOM 557 N GLU A 36 -0.094 0.090 8.169 1.00 1.42 N ATOM 558 CA GLU A 36 -1.306 0.689 7.617 1.00 73.24 C ATOM 559 C GLU A 36 -0.940 1.589 6.437 1.00 0.45 C ATOM 560 O GLU A 36 -1.606 1.586 5.403 1.00 73.41 O ATOM 561 CB GLU A 36 -2.038 1.501 8.693 1.00 11.44 C ATOM 562 CG GLU A 36 -3.241 2.287 8.179 1.00 51.12 C ATOM 563 CD GLU A 36 -4.470 1.430 7.918 1.00 71.30 C ATOM 564 OE1 GLU A 36 -4.500 0.705 6.906 1.00 32.44 O ATOM 565 OE2 GLU A 36 -5.427 1.504 8.721 1.00 5.14 O ATOM 0 H GLU A 36 0.155 0.418 9.102 1.00 1.42 H new ATOM 0 HA GLU A 36 -1.970 -0.104 7.273 1.00 73.24 H new ATOM 0 HB2 GLU A 36 -2.371 0.823 9.479 1.00 11.44 H new ATOM 0 HB3 GLU A 36 -1.333 2.196 9.149 1.00 11.44 H new ATOM 0 HG2 GLU A 36 -3.496 3.059 8.905 1.00 51.12 H new ATOM 0 HG3 GLU A 36 -2.963 2.797 7.257 1.00 51.12 H new ATOM 572 N ALA A 37 0.145 2.339 6.596 1.00 61.43 N ATOM 573 CA ALA A 37 0.603 3.259 5.563 1.00 43.34 C ATOM 574 C ALA A 37 0.996 2.516 4.288 1.00 15.31 C ATOM 575 O ALA A 37 0.525 2.852 3.204 1.00 63.35 O ATOM 576 CB ALA A 37 1.765 4.092 6.074 1.00 3.44 C ATOM 0 H ALA A 37 0.726 2.327 7.435 1.00 61.43 H new ATOM 0 HA ALA A 37 -0.225 3.924 5.317 1.00 43.34 H new ATOM 0 HB1 ALA A 37 2.096 4.774 5.291 1.00 3.44 H new ATOM 0 HB2 ALA A 37 1.446 4.666 6.944 1.00 3.44 H new ATOM 0 HB3 ALA A 37 2.588 3.435 6.354 1.00 3.44 H new ATOM 582 N TYR A 38 1.851 1.501 4.423 1.00 41.34 N ATOM 583 CA TYR A 38 2.274 0.688 3.280 1.00 13.52 C ATOM 584 C TYR A 38 1.066 0.063 2.589 1.00 5.21 C ATOM 585 O TYR A 38 1.008 -0.014 1.360 1.00 62.22 O ATOM 586 CB TYR A 38 3.245 -0.409 3.720 1.00 14.25 C ATOM 587 CG TYR A 38 4.640 0.094 4.001 1.00 3.12 C ATOM 588 CD1 TYR A 38 5.408 0.648 2.989 1.00 25.40 C ATOM 589 CD2 TYR A 38 5.186 0.021 5.275 1.00 55.13 C ATOM 590 CE1 TYR A 38 6.681 1.116 3.237 1.00 12.52 C ATOM 591 CE2 TYR A 38 6.458 0.491 5.533 1.00 14.12 C ATOM 592 CZ TYR A 38 7.202 1.039 4.510 1.00 73.02 C ATOM 593 OH TYR A 38 8.468 1.514 4.760 1.00 14.32 O ATOM 0 H TYR A 38 2.265 1.222 5.313 1.00 41.34 H new ATOM 0 HA TYR A 38 2.785 1.344 2.575 1.00 13.52 H new ATOM 0 HB2 TYR A 38 2.854 -0.890 4.617 1.00 14.25 H new ATOM 0 HB3 TYR A 38 3.293 -1.173 2.944 1.00 14.25 H new ATOM 0 HD1 TYR A 38 5.003 0.714 1.990 1.00 25.40 H new ATOM 0 HD2 TYR A 38 4.606 -0.411 6.078 1.00 55.13 H new ATOM 0 HE1 TYR A 38 7.268 1.541 2.436 1.00 12.52 H new ATOM 0 HE2 TYR A 38 6.868 0.430 6.530 1.00 14.12 H new ATOM 0 HH TYR A 38 8.684 1.386 5.707 1.00 14.32 H new ATOM 603 N TYR A 39 0.107 -0.370 3.397 1.00 64.41 N ATOM 604 CA TYR A 39 -1.150 -0.912 2.903 1.00 14.34 C ATOM 605 C TYR A 39 -1.881 0.122 2.043 1.00 62.21 C ATOM 606 O TYR A 39 -2.384 -0.192 0.959 1.00 23.14 O ATOM 607 CB TYR A 39 -2.009 -1.341 4.098 1.00 14.23 C ATOM 608 CG TYR A 39 -3.416 -1.773 3.758 1.00 64.22 C ATOM 609 CD1 TYR A 39 -3.684 -3.067 3.341 1.00 63.44 C ATOM 610 CD2 TYR A 39 -4.478 -0.888 3.880 1.00 51.24 C ATOM 611 CE1 TYR A 39 -4.973 -3.470 3.055 1.00 54.24 C ATOM 612 CE2 TYR A 39 -5.768 -1.281 3.591 1.00 24.14 C ATOM 613 CZ TYR A 39 -6.010 -2.572 3.181 1.00 30.41 C ATOM 614 OH TYR A 39 -7.300 -2.967 2.902 1.00 75.11 O ATOM 0 H TYR A 39 0.180 -0.355 4.414 1.00 64.41 H new ATOM 0 HA TYR A 39 -0.953 -1.780 2.273 1.00 14.34 H new ATOM 0 HB2 TYR A 39 -1.507 -2.163 4.609 1.00 14.23 H new ATOM 0 HB3 TYR A 39 -2.061 -0.512 4.803 1.00 14.23 H new ATOM 0 HD1 TYR A 39 -2.872 -3.771 3.238 1.00 63.44 H new ATOM 0 HD2 TYR A 39 -4.291 0.124 4.206 1.00 51.24 H new ATOM 0 HE1 TYR A 39 -5.167 -4.483 2.734 1.00 54.24 H new ATOM 0 HE2 TYR A 39 -6.584 -0.579 3.686 1.00 24.14 H new ATOM 0 HH TYR A 39 -7.910 -2.213 3.042 1.00 75.11 H new ATOM 624 N LEU A 40 -1.922 1.358 2.524 1.00 74.43 N ATOM 625 CA LEU A 40 -2.556 2.450 1.794 1.00 61.32 C ATOM 626 C LEU A 40 -1.779 2.779 0.521 1.00 73.00 C ATOM 627 O LEU A 40 -2.372 3.115 -0.504 1.00 61.24 O ATOM 628 CB LEU A 40 -2.665 3.695 2.676 1.00 31.14 C ATOM 629 CG LEU A 40 -3.477 3.517 3.960 1.00 0.22 C ATOM 630 CD1 LEU A 40 -3.517 4.816 4.749 1.00 61.15 C ATOM 631 CD2 LEU A 40 -4.885 3.035 3.641 1.00 3.22 C ATOM 0 H LEU A 40 -1.521 1.631 3.422 1.00 74.43 H new ATOM 0 HA LEU A 40 -3.559 2.127 1.514 1.00 61.32 H new ATOM 0 HB2 LEU A 40 -1.660 4.020 2.944 1.00 31.14 H new ATOM 0 HB3 LEU A 40 -3.114 4.497 2.090 1.00 31.14 H new ATOM 0 HG LEU A 40 -2.990 2.759 4.574 1.00 0.22 H new ATOM 0 HD11 LEU A 40 -4.099 4.671 5.659 1.00 61.15 H new ATOM 0 HD12 LEU A 40 -2.502 5.114 5.011 1.00 61.15 H new ATOM 0 HD13 LEU A 40 -3.979 5.596 4.143 1.00 61.15 H new ATOM 0 HD21 LEU A 40 -5.447 2.914 4.567 1.00 3.22 H new ATOM 0 HD22 LEU A 40 -5.385 3.766 3.006 1.00 3.22 H new ATOM 0 HD23 LEU A 40 -4.833 2.078 3.121 1.00 3.22 H new ATOM 643 N MET A 41 -0.453 2.675 0.588 1.00 50.13 N ATOM 644 CA MET A 41 0.390 2.923 -0.580 1.00 61.23 C ATOM 645 C MET A 41 0.016 1.960 -1.695 1.00 62.22 C ATOM 646 O MET A 41 -0.170 2.363 -2.845 1.00 33.22 O ATOM 647 CB MET A 41 1.880 2.771 -0.240 1.00 25.25 C ATOM 648 CG MET A 41 2.333 3.635 0.926 1.00 13.42 C ATOM 649 SD MET A 41 4.104 3.535 1.244 1.00 24.04 S ATOM 650 CE MET A 41 4.742 4.643 -0.009 1.00 2.23 C ATOM 0 H MET A 41 0.059 2.422 1.433 1.00 50.13 H new ATOM 0 HA MET A 41 0.222 3.949 -0.906 1.00 61.23 H new ATOM 0 HB2 MET A 41 2.086 1.726 -0.008 1.00 25.25 H new ATOM 0 HB3 MET A 41 2.472 3.024 -1.120 1.00 25.25 H new ATOM 0 HG2 MET A 41 2.065 4.672 0.726 1.00 13.42 H new ATOM 0 HG3 MET A 41 1.793 3.334 1.823 1.00 13.42 H new ATOM 0 HE1 MET A 41 5.829 4.685 0.062 1.00 2.23 H new ATOM 0 HE2 MET A 41 4.457 4.279 -0.996 1.00 2.23 H new ATOM 0 HE3 MET A 41 4.329 5.640 0.143 1.00 2.23 H new ATOM 660 N GLY A 42 -0.096 0.685 -1.339 1.00 40.35 N ATOM 661 CA GLY A 42 -0.572 -0.314 -2.275 1.00 41.23 C ATOM 662 C GLY A 42 -1.916 0.042 -2.872 1.00 3.12 C ATOM 663 O GLY A 42 -2.111 -0.085 -4.079 1.00 74.40 O ATOM 0 H GLY A 42 0.136 0.325 -0.413 1.00 40.35 H new ATOM 0 HA2 GLY A 42 0.157 -0.433 -3.076 1.00 41.23 H new ATOM 0 HA3 GLY A 42 -0.647 -1.276 -1.767 1.00 41.23 H new ATOM 667 N ASN A 43 -2.839 0.501 -2.030 1.00 2.11 N ATOM 668 CA ASN A 43 -4.166 0.906 -2.495 1.00 1.32 C ATOM 669 C ASN A 43 -4.064 2.009 -3.537 1.00 23.22 C ATOM 670 O ASN A 43 -4.777 1.999 -4.541 1.00 50.40 O ATOM 671 CB ASN A 43 -5.042 1.386 -1.336 1.00 74.53 C ATOM 672 CG ASN A 43 -5.476 0.263 -0.419 1.00 65.33 C ATOM 673 OD1 ASN A 43 -5.593 -0.887 -0.841 1.00 44.43 O ATOM 674 ND2 ASN A 43 -5.739 0.592 0.833 1.00 74.52 N ATOM 0 H ASN A 43 -2.695 0.602 -1.025 1.00 2.11 H new ATOM 0 HA ASN A 43 -4.629 0.027 -2.945 1.00 1.32 H new ATOM 0 HB2 ASN A 43 -4.494 2.129 -0.757 1.00 74.53 H new ATOM 0 HB3 ASN A 43 -5.926 1.882 -1.737 1.00 74.53 H new ATOM 0 HD21 ASN A 43 -6.053 -0.120 1.492 1.00 74.52 H new ATOM 0 HD22 ASN A 43 -5.628 1.558 1.140 1.00 74.52 H new ATOM 681 N ALA A 44 -3.169 2.952 -3.297 1.00 62.21 N ATOM 682 CA ALA A 44 -2.974 4.068 -4.205 1.00 43.52 C ATOM 683 C ALA A 44 -2.395 3.599 -5.538 1.00 32.44 C ATOM 684 O ALA A 44 -2.889 3.969 -6.605 1.00 24.31 O ATOM 685 CB ALA A 44 -2.073 5.111 -3.565 1.00 21.50 C ATOM 0 H ALA A 44 -2.563 2.966 -2.476 1.00 62.21 H new ATOM 0 HA ALA A 44 -3.945 4.520 -4.406 1.00 43.52 H new ATOM 0 HB1 ALA A 44 -1.933 5.944 -4.255 1.00 21.50 H new ATOM 0 HB2 ALA A 44 -2.533 5.474 -2.646 1.00 21.50 H new ATOM 0 HB3 ALA A 44 -1.106 4.664 -3.335 1.00 21.50 H new ATOM 691 N TYR A 45 -1.363 2.766 -5.475 1.00 42.31 N ATOM 692 CA TYR A 45 -0.699 2.284 -6.682 1.00 71.24 C ATOM 693 C TYR A 45 -1.602 1.367 -7.504 1.00 50.52 C ATOM 694 O TYR A 45 -1.592 1.428 -8.736 1.00 54.13 O ATOM 695 CB TYR A 45 0.613 1.571 -6.340 1.00 21.43 C ATOM 696 CG TYR A 45 1.732 2.517 -5.963 1.00 22.23 C ATOM 697 CD1 TYR A 45 2.293 3.366 -6.909 1.00 20.43 C ATOM 698 CD2 TYR A 45 2.228 2.562 -4.669 1.00 22.32 C ATOM 699 CE1 TYR A 45 3.317 4.232 -6.574 1.00 64.20 C ATOM 700 CE2 TYR A 45 3.252 3.424 -4.325 1.00 12.14 C ATOM 701 CZ TYR A 45 3.793 4.257 -5.283 1.00 23.53 C ATOM 702 OH TYR A 45 4.815 5.115 -4.947 1.00 13.22 O ATOM 0 H TYR A 45 -0.968 2.411 -4.604 1.00 42.31 H new ATOM 0 HA TYR A 45 -0.473 3.159 -7.291 1.00 71.24 H new ATOM 0 HB2 TYR A 45 0.438 0.880 -5.515 1.00 21.43 H new ATOM 0 HB3 TYR A 45 0.926 0.973 -7.196 1.00 21.43 H new ATOM 0 HD1 TYR A 45 1.923 3.349 -7.923 1.00 20.43 H new ATOM 0 HD2 TYR A 45 1.807 1.912 -3.917 1.00 22.32 H new ATOM 0 HE1 TYR A 45 3.741 4.886 -7.322 1.00 64.20 H new ATOM 0 HE2 TYR A 45 3.627 3.446 -3.312 1.00 12.14 H new ATOM 0 HH TYR A 45 5.032 5.009 -3.997 1.00 13.22 H new ATOM 712 N ARG A 46 -2.398 0.531 -6.839 1.00 50.50 N ATOM 713 CA ARG A 46 -3.290 -0.376 -7.553 1.00 42.15 C ATOM 714 C ARG A 46 -4.434 0.397 -8.203 1.00 55.21 C ATOM 715 O ARG A 46 -4.993 -0.036 -9.211 1.00 14.10 O ATOM 716 CB ARG A 46 -3.836 -1.484 -6.640 1.00 10.13 C ATOM 717 CG ARG A 46 -4.749 -1.011 -5.518 1.00 11.14 C ATOM 718 CD ARG A 46 -5.369 -2.197 -4.793 1.00 64.11 C ATOM 719 NE ARG A 46 -6.158 -1.801 -3.625 1.00 2.15 N ATOM 720 CZ ARG A 46 -7.365 -2.297 -3.337 1.00 20.21 C ATOM 721 NH1 ARG A 46 -7.972 -3.126 -4.178 1.00 40.44 N ATOM 722 NH2 ARG A 46 -7.973 -1.944 -2.209 1.00 53.11 N ATOM 0 H ARG A 46 -2.443 0.464 -5.822 1.00 50.50 H new ATOM 0 HA ARG A 46 -2.704 -0.859 -8.334 1.00 42.15 H new ATOM 0 HB2 ARG A 46 -4.382 -2.201 -7.253 1.00 10.13 H new ATOM 0 HB3 ARG A 46 -2.994 -2.018 -6.200 1.00 10.13 H new ATOM 0 HG2 ARG A 46 -4.182 -0.403 -4.813 1.00 11.14 H new ATOM 0 HG3 ARG A 46 -5.536 -0.376 -5.926 1.00 11.14 H new ATOM 0 HD2 ARG A 46 -6.006 -2.748 -5.486 1.00 64.11 H new ATOM 0 HD3 ARG A 46 -4.578 -2.877 -4.477 1.00 64.11 H new ATOM 0 HE ARG A 46 -5.763 -1.105 -2.993 1.00 2.15 H new ATOM 0 HH11 ARG A 46 -7.517 -3.389 -5.052 1.00 40.44 H new ATOM 0 HH12 ARG A 46 -8.893 -3.500 -3.950 1.00 40.44 H new ATOM 0 HH21 ARG A 46 -7.518 -1.296 -1.566 1.00 53.11 H new ATOM 0 HH22 ARG A 46 -8.894 -2.321 -1.987 1.00 53.11 H new ATOM 736 N LYS A 47 -4.765 1.552 -7.634 1.00 60.30 N ATOM 737 CA LYS A 47 -5.767 2.427 -8.212 1.00 0.50 C ATOM 738 C LYS A 47 -5.216 3.093 -9.475 1.00 11.12 C ATOM 739 O LYS A 47 -5.961 3.384 -10.412 1.00 53.33 O ATOM 740 CB LYS A 47 -6.194 3.470 -7.178 1.00 73.43 C ATOM 741 CG LYS A 47 -7.212 4.469 -7.694 1.00 53.34 C ATOM 742 CD LYS A 47 -7.763 5.331 -6.571 1.00 61.33 C ATOM 743 CE LYS A 47 -8.689 4.539 -5.661 1.00 30.44 C ATOM 744 NZ LYS A 47 -9.918 4.100 -6.370 1.00 75.15 N ATOM 0 H LYS A 47 -4.350 1.901 -6.770 1.00 60.30 H new ATOM 0 HA LYS A 47 -6.643 1.844 -8.495 1.00 0.50 H new ATOM 0 HB2 LYS A 47 -6.610 2.958 -6.311 1.00 73.43 H new ATOM 0 HB3 LYS A 47 -5.311 4.010 -6.836 1.00 73.43 H new ATOM 0 HG2 LYS A 47 -6.749 5.105 -8.449 1.00 53.34 H new ATOM 0 HG3 LYS A 47 -8.030 3.938 -8.182 1.00 53.34 H new ATOM 0 HD2 LYS A 47 -6.938 5.739 -5.986 1.00 61.33 H new ATOM 0 HD3 LYS A 47 -8.304 6.178 -6.993 1.00 61.33 H new ATOM 0 HE2 LYS A 47 -8.161 3.667 -5.276 1.00 30.44 H new ATOM 0 HE3 LYS A 47 -8.964 5.151 -4.802 1.00 30.44 H new ATOM 0 HZ1 LYS A 47 -10.646 3.841 -5.674 1.00 75.15 H new ATOM 0 HZ2 LYS A 47 -10.270 4.875 -6.968 1.00 75.15 H new ATOM 0 HZ3 LYS A 47 -9.700 3.276 -6.965 1.00 75.15 H new ATOM 758 N LEU A 48 -3.905 3.323 -9.488 1.00 64.40 N ATOM 759 CA LEU A 48 -3.225 3.844 -10.669 1.00 70.13 C ATOM 760 C LEU A 48 -3.137 2.769 -11.743 1.00 24.32 C ATOM 761 O LEU A 48 -3.249 3.051 -12.938 1.00 40.01 O ATOM 762 CB LEU A 48 -1.815 4.327 -10.316 1.00 52.11 C ATOM 763 CG LEU A 48 -1.746 5.554 -9.411 1.00 53.34 C ATOM 764 CD1 LEU A 48 -0.302 5.845 -9.033 1.00 33.40 C ATOM 765 CD2 LEU A 48 -2.369 6.757 -10.102 1.00 13.22 C ATOM 0 H LEU A 48 -3.292 3.156 -8.690 1.00 64.40 H new ATOM 0 HA LEU A 48 -3.803 4.688 -11.046 1.00 70.13 H new ATOM 0 HB2 LEU A 48 -1.281 3.510 -9.831 1.00 52.11 H new ATOM 0 HB3 LEU A 48 -1.284 4.550 -11.242 1.00 52.11 H new ATOM 0 HG LEU A 48 -2.310 5.351 -8.501 1.00 53.34 H new ATOM 0 HD11 LEU A 48 -0.265 6.722 -8.387 1.00 33.40 H new ATOM 0 HD12 LEU A 48 0.116 4.988 -8.505 1.00 33.40 H new ATOM 0 HD13 LEU A 48 0.279 6.034 -9.935 1.00 33.40 H new ATOM 0 HD21 LEU A 48 -2.312 7.624 -9.444 1.00 13.22 H new ATOM 0 HD22 LEU A 48 -1.829 6.966 -11.025 1.00 13.22 H new ATOM 0 HD23 LEU A 48 -3.413 6.544 -10.332 1.00 13.22 H new ATOM 777 N GLY A 49 -2.936 1.534 -11.309 1.00 72.34 N ATOM 778 CA GLY A 49 -2.857 0.429 -12.237 1.00 41.31 C ATOM 779 C GLY A 49 -1.521 -0.281 -12.181 1.00 32.50 C ATOM 780 O GLY A 49 -1.211 -1.098 -13.050 1.00 73.31 O ATOM 0 H GLY A 49 -2.826 1.278 -10.328 1.00 72.34 H new ATOM 0 HA2 GLY A 49 -3.653 -0.283 -12.018 1.00 41.31 H new ATOM 0 HA3 GLY A 49 -3.028 0.796 -13.249 1.00 41.31 H new ATOM 784 N ASP A 50 -0.724 0.024 -11.168 1.00 51.43 N ATOM 785 CA ASP A 50 0.572 -0.623 -11.011 1.00 21.31 C ATOM 786 C ASP A 50 0.500 -1.665 -9.907 1.00 23.24 C ATOM 787 O ASP A 50 -0.012 -1.397 -8.821 1.00 5.34 O ATOM 788 CB ASP A 50 1.664 0.398 -10.688 1.00 64.31 C ATOM 789 CG ASP A 50 3.050 -0.215 -10.744 1.00 34.02 C ATOM 790 OD1 ASP A 50 3.475 -0.842 -9.752 1.00 51.15 O ATOM 791 OD2 ASP A 50 3.722 -0.086 -11.790 1.00 15.50 O ATOM 0 H ASP A 50 -0.948 0.710 -10.447 1.00 51.43 H new ATOM 0 HA ASP A 50 0.825 -1.107 -11.954 1.00 21.31 H new ATOM 0 HB2 ASP A 50 1.605 1.227 -11.394 1.00 64.31 H new ATOM 0 HB3 ASP A 50 1.491 0.812 -9.695 1.00 64.31 H new ATOM 796 N TRP A 51 1.010 -2.851 -10.186 1.00 22.12 N ATOM 797 CA TRP A 51 0.918 -3.951 -9.243 1.00 34.11 C ATOM 798 C TRP A 51 2.263 -4.237 -8.593 1.00 62.41 C ATOM 799 O TRP A 51 2.322 -4.767 -7.486 1.00 44.55 O ATOM 800 CB TRP A 51 0.402 -5.208 -9.941 1.00 63.24 C ATOM 801 CG TRP A 51 -0.936 -5.020 -10.584 1.00 72.02 C ATOM 802 CD1 TRP A 51 -1.198 -4.956 -11.919 1.00 21.34 C ATOM 803 CD2 TRP A 51 -2.191 -4.867 -9.918 1.00 70.32 C ATOM 804 NE1 TRP A 51 -2.543 -4.769 -12.126 1.00 72.31 N ATOM 805 CE2 TRP A 51 -3.175 -4.711 -10.911 1.00 53.44 C ATOM 806 CE3 TRP A 51 -2.576 -4.845 -8.578 1.00 45.23 C ATOM 807 CZ2 TRP A 51 -4.521 -4.538 -10.602 1.00 30.40 C ATOM 808 CZ3 TRP A 51 -3.907 -4.674 -8.270 1.00 30.12 C ATOM 809 CH2 TRP A 51 -4.869 -4.523 -9.278 1.00 43.35 C ATOM 0 H TRP A 51 1.491 -3.077 -11.056 1.00 22.12 H new ATOM 0 HA TRP A 51 0.216 -3.660 -8.462 1.00 34.11 H new ATOM 0 HB2 TRP A 51 1.122 -5.516 -10.699 1.00 63.24 H new ATOM 0 HB3 TRP A 51 0.338 -6.018 -9.215 1.00 63.24 H new ATOM 0 HD1 TRP A 51 -0.457 -5.040 -12.700 1.00 21.34 H new ATOM 0 HE1 TRP A 51 -2.997 -4.687 -13.035 1.00 72.31 H new ATOM 0 HE3 TRP A 51 -1.842 -4.960 -7.794 1.00 45.23 H new ATOM 0 HZ2 TRP A 51 -5.263 -4.420 -11.378 1.00 30.40 H new ATOM 0 HZ3 TRP A 51 -4.215 -4.656 -7.235 1.00 30.12 H new ATOM 0 HH2 TRP A 51 -5.906 -4.392 -9.005 1.00 43.35 H new ATOM 820 N GLN A 52 3.339 -3.866 -9.269 1.00 54.40 N ATOM 821 CA GLN A 52 4.674 -4.183 -8.784 1.00 10.30 C ATOM 822 C GLN A 52 4.997 -3.352 -7.547 1.00 2.20 C ATOM 823 O GLN A 52 5.563 -3.860 -6.573 1.00 4.33 O ATOM 824 CB GLN A 52 5.721 -3.954 -9.875 1.00 63.42 C ATOM 825 CG GLN A 52 7.064 -4.602 -9.571 1.00 74.13 C ATOM 826 CD GLN A 52 6.966 -6.111 -9.454 1.00 42.24 C ATOM 827 OE1 GLN A 52 7.107 -6.836 -10.439 1.00 14.52 O ATOM 828 NE2 GLN A 52 6.722 -6.597 -8.247 1.00 50.22 N ATOM 0 H GLN A 52 3.316 -3.349 -10.148 1.00 54.40 H new ATOM 0 HA GLN A 52 4.698 -5.238 -8.512 1.00 10.30 H new ATOM 0 HB2 GLN A 52 5.343 -4.346 -10.819 1.00 63.42 H new ATOM 0 HB3 GLN A 52 5.866 -2.882 -10.010 1.00 63.42 H new ATOM 0 HG2 GLN A 52 7.774 -4.347 -10.358 1.00 74.13 H new ATOM 0 HG3 GLN A 52 7.459 -4.193 -8.641 1.00 74.13 H new ATOM 0 HE21 GLN A 52 6.611 -5.964 -7.455 1.00 50.22 H new ATOM 0 HE22 GLN A 52 6.645 -7.605 -8.109 1.00 50.22 H new ATOM 837 N LYS A 53 4.610 -2.078 -7.584 1.00 72.25 N ATOM 838 CA LYS A 53 4.753 -1.204 -6.429 1.00 3.33 C ATOM 839 C LYS A 53 3.944 -1.755 -5.265 1.00 31.53 C ATOM 840 O LYS A 53 4.431 -1.846 -4.141 1.00 64.14 O ATOM 841 CB LYS A 53 4.275 0.219 -6.754 1.00 74.11 C ATOM 842 CG LYS A 53 5.132 0.977 -7.764 1.00 11.32 C ATOM 843 CD LYS A 53 6.456 1.438 -7.168 1.00 31.21 C ATOM 844 CE LYS A 53 7.528 0.364 -7.237 1.00 3.21 C ATOM 845 NZ LYS A 53 7.937 0.080 -8.640 1.00 60.43 N ATOM 0 H LYS A 53 4.196 -1.632 -8.402 1.00 72.25 H new ATOM 0 HA LYS A 53 5.809 -1.163 -6.160 1.00 3.33 H new ATOM 0 HB2 LYS A 53 3.255 0.164 -7.135 1.00 74.11 H new ATOM 0 HB3 LYS A 53 4.239 0.793 -5.828 1.00 74.11 H new ATOM 0 HG2 LYS A 53 5.327 0.337 -8.625 1.00 11.32 H new ATOM 0 HG3 LYS A 53 4.579 1.843 -8.129 1.00 11.32 H new ATOM 0 HD2 LYS A 53 6.800 2.326 -7.698 1.00 31.21 H new ATOM 0 HD3 LYS A 53 6.302 1.727 -6.128 1.00 31.21 H new ATOM 0 HE2 LYS A 53 8.398 0.681 -6.662 1.00 3.21 H new ATOM 0 HE3 LYS A 53 7.157 -0.550 -6.775 1.00 3.21 H new ATOM 0 HZ1 LYS A 53 8.876 -0.366 -8.644 1.00 60.43 H new ATOM 0 HZ2 LYS A 53 7.247 -0.562 -9.080 1.00 60.43 H new ATOM 0 HZ3 LYS A 53 7.974 0.969 -9.178 1.00 60.43 H new ATOM 859 N ALA A 54 2.708 -2.146 -5.564 1.00 13.24 N ATOM 860 CA ALA A 54 1.800 -2.680 -4.557 1.00 1.41 C ATOM 861 C ALA A 54 2.369 -3.936 -3.905 1.00 21.11 C ATOM 862 O ALA A 54 2.331 -4.084 -2.689 1.00 31.21 O ATOM 863 CB ALA A 54 0.441 -2.972 -5.175 1.00 44.20 C ATOM 0 H ALA A 54 2.312 -2.102 -6.503 1.00 13.24 H new ATOM 0 HA ALA A 54 1.681 -1.926 -3.779 1.00 1.41 H new ATOM 0 HB1 ALA A 54 -0.228 -3.370 -4.412 1.00 44.20 H new ATOM 0 HB2 ALA A 54 0.021 -2.052 -5.581 1.00 44.20 H new ATOM 0 HB3 ALA A 54 0.555 -3.703 -5.975 1.00 44.20 H new ATOM 869 N LEU A 55 2.906 -4.836 -4.718 1.00 62.22 N ATOM 870 CA LEU A 55 3.490 -6.069 -4.206 1.00 11.31 C ATOM 871 C LEU A 55 4.585 -5.777 -3.189 1.00 2.13 C ATOM 872 O LEU A 55 4.675 -6.443 -2.155 1.00 63.23 O ATOM 873 CB LEU A 55 4.068 -6.908 -5.345 1.00 65.35 C ATOM 874 CG LEU A 55 3.042 -7.483 -6.317 1.00 62.34 C ATOM 875 CD1 LEU A 55 3.744 -8.232 -7.438 1.00 62.44 C ATOM 876 CD2 LEU A 55 2.074 -8.399 -5.585 1.00 21.15 C ATOM 0 H LEU A 55 2.949 -4.736 -5.732 1.00 62.22 H new ATOM 0 HA LEU A 55 2.693 -6.628 -3.716 1.00 11.31 H new ATOM 0 HB2 LEU A 55 4.771 -6.293 -5.907 1.00 65.35 H new ATOM 0 HB3 LEU A 55 4.638 -7.732 -4.915 1.00 65.35 H new ATOM 0 HG LEU A 55 2.473 -6.662 -6.753 1.00 62.34 H new ATOM 0 HD11 LEU A 55 3.002 -8.638 -8.125 1.00 62.44 H new ATOM 0 HD12 LEU A 55 4.401 -7.549 -7.976 1.00 62.44 H new ATOM 0 HD13 LEU A 55 4.333 -9.047 -7.018 1.00 62.44 H new ATOM 0 HD21 LEU A 55 1.348 -8.801 -6.292 1.00 21.15 H new ATOM 0 HD22 LEU A 55 2.626 -9.219 -5.126 1.00 21.15 H new ATOM 0 HD23 LEU A 55 1.553 -7.834 -4.812 1.00 21.15 H new ATOM 888 N ASN A 56 5.408 -4.778 -3.486 1.00 0.45 N ATOM 889 CA ASN A 56 6.525 -4.430 -2.620 1.00 30.32 C ATOM 890 C ASN A 56 6.060 -3.728 -1.349 1.00 62.11 C ATOM 891 O ASN A 56 6.476 -4.099 -0.250 1.00 14.15 O ATOM 892 CB ASN A 56 7.543 -3.559 -3.361 1.00 25.00 C ATOM 893 CG ASN A 56 8.262 -4.319 -4.460 1.00 75.22 C ATOM 894 OD1 ASN A 56 8.410 -5.541 -4.394 1.00 63.03 O ATOM 895 ND2 ASN A 56 8.727 -3.598 -5.468 1.00 24.50 N ATOM 0 H ASN A 56 5.322 -4.196 -4.319 1.00 0.45 H new ATOM 0 HA ASN A 56 7.007 -5.364 -2.330 1.00 30.32 H new ATOM 0 HB2 ASN A 56 7.034 -2.697 -3.792 1.00 25.00 H new ATOM 0 HB3 ASN A 56 8.274 -3.175 -2.650 1.00 25.00 H new ATOM 0 HD21 ASN A 56 9.230 -4.052 -6.230 1.00 24.50 H new ATOM 0 HD22 ASN A 56 8.582 -2.588 -5.483 1.00 24.50 H new ATOM 902 N ASN A 57 5.190 -2.730 -1.481 1.00 52.25 N ATOM 903 CA ASN A 57 4.756 -1.967 -0.312 1.00 62.12 C ATOM 904 C ASN A 57 3.867 -2.804 0.607 1.00 13.22 C ATOM 905 O ASN A 57 3.940 -2.668 1.827 1.00 23.43 O ATOM 906 CB ASN A 57 4.081 -0.634 -0.694 1.00 43.22 C ATOM 907 CG ASN A 57 2.885 -0.767 -1.615 1.00 33.43 C ATOM 908 OD1 ASN A 57 2.068 -1.668 -1.488 1.00 60.04 O ATOM 909 ND2 ASN A 57 2.784 0.147 -2.566 1.00 55.24 N ATOM 0 H ASN A 57 4.778 -2.434 -2.366 1.00 52.25 H new ATOM 0 HA ASN A 57 5.658 -1.711 0.245 1.00 62.12 H new ATOM 0 HB2 ASN A 57 3.764 -0.129 0.219 1.00 43.22 H new ATOM 0 HB3 ASN A 57 4.821 0.007 -1.173 1.00 43.22 H new ATOM 0 HD21 ASN A 57 2.005 0.115 -3.224 1.00 55.24 H new ATOM 0 HD22 ASN A 57 3.485 0.884 -2.641 1.00 55.24 H new ATOM 916 N TYR A 58 3.057 -3.692 0.035 1.00 61.44 N ATOM 917 CA TYR A 58 2.275 -4.622 0.842 1.00 45.11 C ATOM 918 C TYR A 58 3.202 -5.545 1.620 1.00 71.10 C ATOM 919 O TYR A 58 3.022 -5.753 2.819 1.00 64.43 O ATOM 920 CB TYR A 58 1.324 -5.455 -0.022 1.00 54.02 C ATOM 921 CG TYR A 58 0.103 -4.703 -0.512 1.00 14.44 C ATOM 922 CD1 TYR A 58 -0.513 -3.742 0.282 1.00 14.23 C ATOM 923 CD2 TYR A 58 -0.446 -4.970 -1.759 1.00 0.44 C ATOM 924 CE1 TYR A 58 -1.641 -3.074 -0.155 1.00 32.34 C ATOM 925 CE2 TYR A 58 -1.570 -4.305 -2.203 1.00 2.22 C ATOM 926 CZ TYR A 58 -2.165 -3.358 -1.399 1.00 11.32 C ATOM 927 OH TYR A 58 -3.291 -2.698 -1.833 1.00 42.53 O ATOM 0 H TYR A 58 2.926 -3.786 -0.972 1.00 61.44 H new ATOM 0 HA TYR A 58 1.675 -4.034 1.537 1.00 45.11 H new ATOM 0 HB2 TYR A 58 1.873 -5.833 -0.884 1.00 54.02 H new ATOM 0 HB3 TYR A 58 0.996 -6.322 0.552 1.00 54.02 H new ATOM 0 HD1 TYR A 58 -0.104 -3.514 1.255 1.00 14.23 H new ATOM 0 HD2 TYR A 58 0.016 -5.712 -2.393 1.00 0.44 H new ATOM 0 HE1 TYR A 58 -2.110 -2.333 0.475 1.00 32.34 H new ATOM 0 HE2 TYR A 58 -1.982 -4.526 -3.177 1.00 2.22 H new ATOM 0 HH TYR A 58 -3.716 -2.244 -1.076 1.00 42.53 H new ATOM 937 N GLN A 59 4.213 -6.065 0.932 1.00 63.13 N ATOM 938 CA GLN A 59 5.191 -6.951 1.554 1.00 45.21 C ATOM 939 C GLN A 59 5.978 -6.197 2.624 1.00 63.33 C ATOM 940 O GLN A 59 6.389 -6.773 3.631 1.00 54.40 O ATOM 941 CB GLN A 59 6.139 -7.518 0.492 1.00 44.50 C ATOM 942 CG GLN A 59 7.062 -8.617 1.001 1.00 23.21 C ATOM 943 CD GLN A 59 6.308 -9.787 1.606 1.00 42.14 C ATOM 944 OE1 GLN A 59 5.170 -10.065 1.241 1.00 14.11 O ATOM 945 NE2 GLN A 59 6.946 -10.494 2.519 1.00 4.53 N ATOM 0 H GLN A 59 4.377 -5.888 -0.059 1.00 63.13 H new ATOM 0 HA GLN A 59 4.666 -7.780 2.029 1.00 45.21 H new ATOM 0 HB2 GLN A 59 5.547 -7.910 -0.335 1.00 44.50 H new ATOM 0 HB3 GLN A 59 6.746 -6.706 0.092 1.00 44.50 H new ATOM 0 HG2 GLN A 59 7.680 -8.976 0.178 1.00 23.21 H new ATOM 0 HG3 GLN A 59 7.737 -8.200 1.749 1.00 23.21 H new ATOM 0 HE21 GLN A 59 7.892 -10.233 2.797 1.00 4.53 H new ATOM 0 HE22 GLN A 59 6.493 -11.302 2.946 1.00 4.53 H new ATOM 954 N SER A 60 6.168 -4.900 2.406 1.00 44.31 N ATOM 955 CA SER A 60 6.835 -4.048 3.381 1.00 53.02 C ATOM 956 C SER A 60 6.063 -4.047 4.696 1.00 25.22 C ATOM 957 O SER A 60 6.652 -4.145 5.769 1.00 73.15 O ATOM 958 CB SER A 60 6.971 -2.621 2.839 1.00 40.30 C ATOM 959 OG SER A 60 7.713 -2.604 1.629 1.00 13.04 O ATOM 0 H SER A 60 5.868 -4.416 1.560 1.00 44.31 H new ATOM 0 HA SER A 60 7.834 -4.444 3.564 1.00 53.02 H new ATOM 0 HB2 SER A 60 5.981 -2.197 2.669 1.00 40.30 H new ATOM 0 HB3 SER A 60 7.464 -1.992 3.581 1.00 40.30 H new ATOM 0 HG SER A 60 7.239 -3.125 0.947 1.00 13.04 H new ATOM 965 N ALA A 61 4.740 -3.962 4.604 1.00 13.44 N ATOM 966 CA ALA A 61 3.887 -4.003 5.783 1.00 25.21 C ATOM 967 C ALA A 61 3.863 -5.404 6.392 1.00 64.13 C ATOM 968 O ALA A 61 3.944 -5.564 7.609 1.00 4.44 O ATOM 969 CB ALA A 61 2.480 -3.559 5.423 1.00 44.44 C ATOM 0 H ALA A 61 4.236 -3.864 3.723 1.00 13.44 H new ATOM 0 HA ALA A 61 4.296 -3.319 6.527 1.00 25.21 H new ATOM 0 HB1 ALA A 61 1.849 -3.593 6.311 1.00 44.44 H new ATOM 0 HB2 ALA A 61 2.508 -2.540 5.036 1.00 44.44 H new ATOM 0 HB3 ALA A 61 2.072 -4.225 4.663 1.00 44.44 H new ATOM 975 N ILE A 62 3.770 -6.416 5.532 1.00 62.20 N ATOM 976 CA ILE A 62 3.692 -7.806 5.976 1.00 12.43 C ATOM 977 C ILE A 62 4.934 -8.219 6.768 1.00 54.31 C ATOM 978 O ILE A 62 4.827 -8.892 7.793 1.00 25.24 O ATOM 979 CB ILE A 62 3.508 -8.775 4.785 1.00 75.44 C ATOM 980 CG1 ILE A 62 2.216 -8.456 4.030 1.00 1.25 C ATOM 981 CG2 ILE A 62 3.487 -10.215 5.273 1.00 64.55 C ATOM 982 CD1 ILE A 62 2.018 -9.301 2.790 1.00 41.43 C ATOM 0 H ILE A 62 3.747 -6.298 4.519 1.00 62.20 H new ATOM 0 HA ILE A 62 2.820 -7.870 6.626 1.00 12.43 H new ATOM 0 HB ILE A 62 4.350 -8.648 4.104 1.00 75.44 H new ATOM 0 HG12 ILE A 62 1.368 -8.602 4.699 1.00 1.25 H new ATOM 0 HG13 ILE A 62 2.221 -7.404 3.746 1.00 1.25 H new ATOM 0 HG21 ILE A 62 3.357 -10.885 4.423 1.00 64.55 H new ATOM 0 HG22 ILE A 62 4.428 -10.443 5.774 1.00 64.55 H new ATOM 0 HG23 ILE A 62 2.661 -10.350 5.972 1.00 64.55 H new ATOM 0 HD11 ILE A 62 1.083 -9.021 2.305 1.00 41.43 H new ATOM 0 HD12 ILE A 62 2.847 -9.137 2.102 1.00 41.43 H new ATOM 0 HD13 ILE A 62 1.981 -10.354 3.069 1.00 41.43 H new ATOM 994 N GLU A 63 6.109 -7.812 6.305 1.00 54.40 N ATOM 995 CA GLU A 63 7.352 -8.189 6.971 1.00 54.34 C ATOM 996 C GLU A 63 7.572 -7.381 8.249 1.00 45.11 C ATOM 997 O GLU A 63 8.465 -7.687 9.041 1.00 31.11 O ATOM 998 CB GLU A 63 8.547 -8.055 6.023 1.00 70.33 C ATOM 999 CG GLU A 63 8.499 -9.052 4.875 1.00 51.22 C ATOM 1000 CD GLU A 63 9.782 -9.108 4.074 1.00 60.14 C ATOM 1001 OE1 GLU A 63 9.957 -8.276 3.166 1.00 35.41 O ATOM 1002 OE2 GLU A 63 10.615 -10.004 4.335 1.00 14.43 O ATOM 0 H GLU A 63 6.229 -7.226 5.479 1.00 54.40 H new ATOM 0 HA GLU A 63 7.265 -9.237 7.257 1.00 54.34 H new ATOM 0 HB2 GLU A 63 8.574 -7.043 5.619 1.00 70.33 H new ATOM 0 HB3 GLU A 63 9.470 -8.198 6.585 1.00 70.33 H new ATOM 0 HG2 GLU A 63 8.284 -10.044 5.273 1.00 51.22 H new ATOM 0 HG3 GLU A 63 7.676 -8.790 4.210 1.00 51.22 H new ATOM 1009 N LEU A 64 6.758 -6.351 8.451 1.00 0.41 N ATOM 1010 CA LEU A 64 6.758 -5.630 9.715 1.00 55.05 C ATOM 1011 C LEU A 64 5.894 -6.378 10.718 1.00 64.23 C ATOM 1012 O LEU A 64 6.294 -6.599 11.860 1.00 34.43 O ATOM 1013 CB LEU A 64 6.242 -4.199 9.538 1.00 31.45 C ATOM 1014 CG LEU A 64 7.099 -3.298 8.648 1.00 51.24 C ATOM 1015 CD1 LEU A 64 6.491 -1.906 8.561 1.00 21.01 C ATOM 1016 CD2 LEU A 64 8.528 -3.230 9.167 1.00 43.42 C ATOM 0 H LEU A 64 6.095 -6.000 7.760 1.00 0.41 H new ATOM 0 HA LEU A 64 7.782 -5.570 10.082 1.00 55.05 H new ATOM 0 HB2 LEU A 64 5.236 -4.243 9.120 1.00 31.45 H new ATOM 0 HB3 LEU A 64 6.159 -3.737 10.522 1.00 31.45 H new ATOM 0 HG LEU A 64 7.123 -3.727 7.646 1.00 51.24 H new ATOM 0 HD11 LEU A 64 7.113 -1.277 7.924 1.00 21.01 H new ATOM 0 HD12 LEU A 64 5.489 -1.973 8.138 1.00 21.01 H new ATOM 0 HD13 LEU A 64 6.436 -1.470 9.559 1.00 21.01 H new ATOM 0 HD21 LEU A 64 9.120 -2.584 8.519 1.00 43.42 H new ATOM 0 HD22 LEU A 64 8.528 -2.827 10.180 1.00 43.42 H new ATOM 0 HD23 LEU A 64 8.960 -4.231 9.175 1.00 43.42 H new ATOM 1028 N ASN A 65 4.710 -6.782 10.274 1.00 73.42 N ATOM 1029 CA ASN A 65 3.806 -7.583 11.088 1.00 53.11 C ATOM 1030 C ASN A 65 2.882 -8.408 10.196 1.00 22.21 C ATOM 1031 O ASN A 65 2.145 -7.867 9.374 1.00 63.22 O ATOM 1032 CB ASN A 65 3.004 -6.699 12.060 1.00 44.14 C ATOM 1033 CG ASN A 65 2.372 -5.482 11.408 1.00 11.21 C ATOM 1034 OD1 ASN A 65 3.037 -4.466 11.202 1.00 24.31 O ATOM 1035 ND2 ASN A 65 1.080 -5.550 11.126 1.00 11.02 N ATOM 0 H ASN A 65 4.351 -6.565 9.344 1.00 73.42 H new ATOM 0 HA ASN A 65 4.401 -8.270 11.690 1.00 53.11 H new ATOM 0 HB2 ASN A 65 2.220 -7.301 12.520 1.00 44.14 H new ATOM 0 HB3 ASN A 65 3.663 -6.368 12.862 1.00 44.14 H new ATOM 0 HD21 ASN A 65 0.603 -4.743 10.724 1.00 11.02 H new ATOM 0 HD22 ASN A 65 0.562 -6.409 11.311 1.00 11.02 H new ATOM 1042 N PRO A 66 2.935 -9.742 10.337 1.00 71.54 N ATOM 1043 CA PRO A 66 2.170 -10.670 9.488 1.00 54.14 C ATOM 1044 C PRO A 66 0.661 -10.511 9.647 1.00 23.04 C ATOM 1045 O PRO A 66 -0.108 -10.855 8.752 1.00 15.25 O ATOM 1046 CB PRO A 66 2.616 -12.053 9.969 1.00 4.31 C ATOM 1047 CG PRO A 66 3.151 -11.832 11.343 1.00 73.33 C ATOM 1048 CD PRO A 66 3.752 -10.457 11.331 1.00 4.23 C ATOM 0 HA PRO A 66 2.359 -10.490 8.430 1.00 54.14 H new ATOM 0 HB2 PRO A 66 1.782 -12.755 9.979 1.00 4.31 H new ATOM 0 HB3 PRO A 66 3.378 -12.472 9.312 1.00 4.31 H new ATOM 0 HG2 PRO A 66 2.359 -11.906 12.088 1.00 73.33 H new ATOM 0 HG3 PRO A 66 3.899 -12.583 11.597 1.00 73.33 H new ATOM 0 HD2 PRO A 66 3.697 -9.985 12.312 1.00 4.23 H new ATOM 0 HD3 PRO A 66 4.804 -10.480 11.046 1.00 4.23 H new ATOM 1056 N ASP A 67 0.243 -9.970 10.781 1.00 13.35 N ATOM 1057 CA ASP A 67 -1.174 -9.758 11.055 1.00 5.32 C ATOM 1058 C ASP A 67 -1.640 -8.420 10.491 1.00 14.35 C ATOM 1059 O ASP A 67 -2.528 -7.770 11.043 1.00 45.00 O ATOM 1060 CB ASP A 67 -1.445 -9.825 12.559 1.00 61.32 C ATOM 1061 CG ASP A 67 -1.361 -11.240 13.098 1.00 60.11 C ATOM 1062 OD1 ASP A 67 -2.377 -11.966 13.032 1.00 73.13 O ATOM 1063 OD2 ASP A 67 -0.285 -11.632 13.590 1.00 44.13 O ATOM 0 H ASP A 67 0.866 -9.668 11.530 1.00 13.35 H new ATOM 0 HA ASP A 67 -1.737 -10.552 10.564 1.00 5.32 H new ATOM 0 HB2 ASP A 67 -0.726 -9.196 13.084 1.00 61.32 H new ATOM 0 HB3 ASP A 67 -2.435 -9.418 12.766 1.00 61.32 H new ATOM 1068 N SER A 68 -1.036 -8.025 9.383 1.00 22.41 N ATOM 1069 CA SER A 68 -1.383 -6.791 8.707 1.00 12.21 C ATOM 1070 C SER A 68 -2.456 -7.052 7.656 1.00 12.41 C ATOM 1071 O SER A 68 -2.472 -8.113 7.033 1.00 14.52 O ATOM 1072 CB SER A 68 -0.133 -6.205 8.042 1.00 21.45 C ATOM 1073 OG SER A 68 -0.428 -5.032 7.303 1.00 51.52 O ATOM 0 H SER A 68 -0.291 -8.553 8.928 1.00 22.41 H new ATOM 0 HA SER A 68 -1.773 -6.081 9.436 1.00 12.21 H new ATOM 0 HB2 SER A 68 0.611 -5.976 8.805 1.00 21.45 H new ATOM 0 HB3 SER A 68 0.309 -6.950 7.380 1.00 21.45 H new ATOM 0 HG SER A 68 -0.496 -4.269 7.914 1.00 51.52 H new ATOM 1079 N PRO A 69 -3.366 -6.088 7.442 1.00 3.42 N ATOM 1080 CA PRO A 69 -4.366 -6.168 6.371 1.00 73.21 C ATOM 1081 C PRO A 69 -3.710 -6.318 4.999 1.00 35.31 C ATOM 1082 O PRO A 69 -4.331 -6.790 4.044 1.00 4.12 O ATOM 1083 CB PRO A 69 -5.105 -4.830 6.466 1.00 63.14 C ATOM 1084 CG PRO A 69 -4.873 -4.361 7.860 1.00 53.33 C ATOM 1085 CD PRO A 69 -3.506 -4.853 8.236 1.00 13.10 C ATOM 0 HA PRO A 69 -5.020 -7.033 6.481 1.00 73.21 H new ATOM 0 HB2 PRO A 69 -4.721 -4.114 5.739 1.00 63.14 H new ATOM 0 HB3 PRO A 69 -6.169 -4.951 6.262 1.00 63.14 H new ATOM 0 HG2 PRO A 69 -4.928 -3.274 7.921 1.00 53.33 H new ATOM 0 HG3 PRO A 69 -5.631 -4.757 8.537 1.00 53.33 H new ATOM 0 HD2 PRO A 69 -2.733 -4.125 7.989 1.00 13.10 H new ATOM 0 HD3 PRO A 69 -3.428 -5.050 9.305 1.00 13.10 H new ATOM 1093 N ALA A 70 -2.435 -5.944 4.922 1.00 4.13 N ATOM 1094 CA ALA A 70 -1.678 -6.026 3.682 1.00 4.21 C ATOM 1095 C ALA A 70 -1.431 -7.478 3.285 1.00 2.11 C ATOM 1096 O ALA A 70 -1.030 -7.762 2.157 1.00 41.54 O ATOM 1097 CB ALA A 70 -0.359 -5.279 3.816 1.00 71.22 C ATOM 0 H ALA A 70 -1.904 -5.579 5.712 1.00 4.13 H new ATOM 0 HA ALA A 70 -2.267 -5.557 2.894 1.00 4.21 H new ATOM 0 HB1 ALA A 70 0.196 -5.350 2.880 1.00 71.22 H new ATOM 0 HB2 ALA A 70 -0.556 -4.231 4.043 1.00 71.22 H new ATOM 0 HB3 ALA A 70 0.229 -5.720 4.621 1.00 71.22 H new ATOM 1103 N LEU A 71 -1.684 -8.392 4.219 1.00 75.32 N ATOM 1104 CA LEU A 71 -1.537 -9.818 3.959 1.00 40.34 C ATOM 1105 C LEU A 71 -2.475 -10.228 2.840 1.00 74.40 C ATOM 1106 O LEU A 71 -2.075 -10.806 1.830 1.00 42.55 O ATOM 1107 CB LEU A 71 -1.903 -10.620 5.210 1.00 75.42 C ATOM 1108 CG LEU A 71 -1.216 -11.975 5.336 1.00 34.43 C ATOM 1109 CD1 LEU A 71 0.275 -11.795 5.565 1.00 11.42 C ATOM 1110 CD2 LEU A 71 -1.843 -12.786 6.458 1.00 71.24 C ATOM 0 H LEU A 71 -1.993 -8.167 5.165 1.00 75.32 H new ATOM 0 HA LEU A 71 -0.502 -10.017 3.680 1.00 40.34 H new ATOM 0 HB2 LEU A 71 -1.659 -10.023 6.089 1.00 75.42 H new ATOM 0 HB3 LEU A 71 -2.982 -10.775 5.220 1.00 75.42 H new ATOM 0 HG LEU A 71 -1.353 -12.523 4.404 1.00 34.43 H new ATOM 0 HD11 LEU A 71 0.750 -12.772 5.653 1.00 11.42 H new ATOM 0 HD12 LEU A 71 0.710 -11.254 4.724 1.00 11.42 H new ATOM 0 HD13 LEU A 71 0.436 -11.229 6.483 1.00 11.42 H new ATOM 0 HD21 LEU A 71 -1.341 -13.750 6.534 1.00 71.24 H new ATOM 0 HD22 LEU A 71 -1.738 -12.247 7.399 1.00 71.24 H new ATOM 0 HD23 LEU A 71 -2.901 -12.943 6.246 1.00 71.24 H new ATOM 1122 N GLN A 72 -3.733 -9.883 3.038 1.00 11.15 N ATOM 1123 CA GLN A 72 -4.791 -10.211 2.108 1.00 45.24 C ATOM 1124 C GLN A 72 -4.700 -9.316 0.883 1.00 15.43 C ATOM 1125 O GLN A 72 -5.054 -9.714 -0.225 1.00 50.14 O ATOM 1126 CB GLN A 72 -6.127 -10.031 2.815 1.00 24.30 C ATOM 1127 CG GLN A 72 -6.174 -10.735 4.163 1.00 70.42 C ATOM 1128 CD GLN A 72 -6.413 -12.225 4.040 1.00 24.05 C ATOM 1129 OE1 GLN A 72 -7.557 -12.679 4.029 1.00 23.55 O ATOM 1130 NE2 GLN A 72 -5.342 -13.000 3.948 1.00 3.04 N ATOM 0 H GLN A 72 -4.050 -9.363 3.856 1.00 11.15 H new ATOM 0 HA GLN A 72 -4.696 -11.244 1.774 1.00 45.24 H new ATOM 0 HB2 GLN A 72 -6.318 -8.967 2.958 1.00 24.30 H new ATOM 0 HB3 GLN A 72 -6.925 -10.416 2.180 1.00 24.30 H new ATOM 0 HG2 GLN A 72 -5.235 -10.565 4.689 1.00 70.42 H new ATOM 0 HG3 GLN A 72 -6.964 -10.294 4.770 1.00 70.42 H new ATOM 0 HE21 GLN A 72 -4.410 -12.586 3.961 1.00 3.04 H new ATOM 0 HE22 GLN A 72 -5.450 -14.011 3.864 1.00 3.04 H new ATOM 1139 N ALA A 73 -4.206 -8.107 1.103 1.00 52.32 N ATOM 1140 CA ALA A 73 -4.043 -7.131 0.038 1.00 2.50 C ATOM 1141 C ALA A 73 -3.009 -7.589 -0.986 1.00 4.12 C ATOM 1142 O ALA A 73 -3.251 -7.530 -2.192 1.00 75.04 O ATOM 1143 CB ALA A 73 -3.647 -5.791 0.627 1.00 10.04 C ATOM 0 H ALA A 73 -3.908 -7.776 2.021 1.00 52.32 H new ATOM 0 HA ALA A 73 -4.996 -7.030 -0.481 1.00 2.50 H new ATOM 0 HB1 ALA A 73 -3.526 -5.063 -0.175 1.00 10.04 H new ATOM 0 HB2 ALA A 73 -4.424 -5.451 1.312 1.00 10.04 H new ATOM 0 HB3 ALA A 73 -2.706 -5.895 1.168 1.00 10.04 H new ATOM 1149 N ARG A 74 -1.856 -8.055 -0.509 1.00 61.01 N ATOM 1150 CA ARG A 74 -0.811 -8.525 -1.410 1.00 31.32 C ATOM 1151 C ARG A 74 -1.283 -9.760 -2.159 1.00 43.22 C ATOM 1152 O ARG A 74 -1.122 -9.858 -3.374 1.00 5.04 O ATOM 1153 CB ARG A 74 0.484 -8.857 -0.663 1.00 51.30 C ATOM 1154 CG ARG A 74 1.682 -9.007 -1.595 1.00 72.52 C ATOM 1155 CD ARG A 74 2.893 -9.586 -0.886 1.00 4.31 C ATOM 1156 NE ARG A 74 4.105 -9.481 -1.704 1.00 15.34 N ATOM 1157 CZ ARG A 74 4.940 -10.498 -1.942 1.00 23.22 C ATOM 1158 NH1 ARG A 74 4.710 -11.695 -1.412 1.00 63.31 N ATOM 1159 NH2 ARG A 74 6.023 -10.315 -2.688 1.00 12.43 N ATOM 0 H ARG A 74 -1.626 -8.116 0.483 1.00 61.01 H new ATOM 0 HA ARG A 74 -0.603 -7.717 -2.111 1.00 31.32 H new ATOM 0 HB2 ARG A 74 0.691 -8.071 0.063 1.00 51.30 H new ATOM 0 HB3 ARG A 74 0.348 -9.782 -0.102 1.00 51.30 H new ATOM 0 HG2 ARG A 74 1.411 -9.651 -2.431 1.00 72.52 H new ATOM 0 HG3 ARG A 74 1.939 -8.034 -2.013 1.00 72.52 H new ATOM 0 HD2 ARG A 74 3.046 -9.063 0.058 1.00 4.31 H new ATOM 0 HD3 ARG A 74 2.707 -10.633 -0.645 1.00 4.31 H new ATOM 0 HE ARG A 74 4.325 -8.575 -2.118 1.00 15.34 H new ATOM 0 HH11 ARG A 74 3.893 -11.842 -0.820 1.00 63.31 H new ATOM 0 HH12 ARG A 74 5.351 -12.467 -1.598 1.00 63.31 H new ATOM 0 HH21 ARG A 74 6.221 -9.395 -3.082 1.00 12.43 H new ATOM 0 HH22 ARG A 74 6.657 -11.094 -2.867 1.00 12.43 H new ATOM 1173 N LYS A 75 -1.880 -10.692 -1.425 1.00 3.43 N ATOM 1174 CA LYS A 75 -2.382 -11.924 -2.018 1.00 34.10 C ATOM 1175 C LYS A 75 -3.462 -11.620 -3.053 1.00 62.42 C ATOM 1176 O LYS A 75 -3.557 -12.298 -4.075 1.00 23.34 O ATOM 1177 CB LYS A 75 -2.909 -12.858 -0.927 1.00 23.52 C ATOM 1178 CG LYS A 75 -3.439 -14.184 -1.450 1.00 42.01 C ATOM 1179 CD LYS A 75 -3.508 -15.229 -0.347 1.00 24.31 C ATOM 1180 CE LYS A 75 -2.115 -15.681 0.069 1.00 15.31 C ATOM 1181 NZ LYS A 75 -2.151 -16.657 1.190 1.00 21.13 N ATOM 0 H LYS A 75 -2.028 -10.617 -0.419 1.00 3.43 H new ATOM 0 HA LYS A 75 -1.562 -12.427 -2.530 1.00 34.10 H new ATOM 0 HB2 LYS A 75 -2.109 -13.054 -0.214 1.00 23.52 H new ATOM 0 HB3 LYS A 75 -3.705 -12.350 -0.382 1.00 23.52 H new ATOM 0 HG2 LYS A 75 -4.431 -14.038 -1.877 1.00 42.01 H new ATOM 0 HG3 LYS A 75 -2.796 -14.543 -2.253 1.00 42.01 H new ATOM 0 HD2 LYS A 75 -4.033 -14.818 0.515 1.00 24.31 H new ATOM 0 HD3 LYS A 75 -4.085 -16.088 -0.691 1.00 24.31 H new ATOM 0 HE2 LYS A 75 -1.611 -16.131 -0.786 1.00 15.31 H new ATOM 0 HE3 LYS A 75 -1.527 -14.812 0.365 1.00 15.31 H new ATOM 0 HZ1 LYS A 75 -1.180 -16.936 1.439 1.00 21.13 H new ATOM 0 HZ2 LYS A 75 -2.608 -16.220 2.016 1.00 21.13 H new ATOM 0 HZ3 LYS A 75 -2.690 -17.498 0.901 1.00 21.13 H new ATOM 1195 N MET A 76 -4.258 -10.587 -2.786 1.00 33.35 N ATOM 1196 CA MET A 76 -5.241 -10.103 -3.752 1.00 64.43 C ATOM 1197 C MET A 76 -4.552 -9.720 -5.052 1.00 5.04 C ATOM 1198 O MET A 76 -4.948 -10.156 -6.130 1.00 40.13 O ATOM 1199 CB MET A 76 -5.976 -8.880 -3.207 1.00 25.20 C ATOM 1200 CG MET A 76 -6.964 -8.288 -4.193 1.00 61.43 C ATOM 1201 SD MET A 76 -7.322 -6.554 -3.859 1.00 62.22 S ATOM 1202 CE MET A 76 -5.729 -5.826 -4.237 1.00 24.13 C ATOM 0 H MET A 76 -4.241 -10.069 -1.908 1.00 33.35 H new ATOM 0 HA MET A 76 -5.957 -10.904 -3.933 1.00 64.43 H new ATOM 0 HB2 MET A 76 -6.505 -9.158 -2.296 1.00 25.20 H new ATOM 0 HB3 MET A 76 -5.246 -8.118 -2.932 1.00 25.20 H new ATOM 0 HG2 MET A 76 -6.566 -8.385 -5.203 1.00 61.43 H new ATOM 0 HG3 MET A 76 -7.892 -8.860 -4.160 1.00 61.43 H new ATOM 0 HE1 MET A 76 -5.291 -5.417 -3.327 1.00 24.13 H new ATOM 0 HE2 MET A 76 -5.068 -6.590 -4.647 1.00 24.13 H new ATOM 0 HE3 MET A 76 -5.858 -5.028 -4.968 1.00 24.13 H new ATOM 1212 N VAL A 77 -3.508 -8.910 -4.934 1.00 22.25 N ATOM 1213 CA VAL A 77 -2.744 -8.463 -6.092 1.00 25.34 C ATOM 1214 C VAL A 77 -2.141 -9.652 -6.832 1.00 74.05 C ATOM 1215 O VAL A 77 -2.192 -9.721 -8.056 1.00 4.41 O ATOM 1216 CB VAL A 77 -1.618 -7.489 -5.684 1.00 14.12 C ATOM 1217 CG1 VAL A 77 -0.775 -7.092 -6.886 1.00 12.14 C ATOM 1218 CG2 VAL A 77 -2.200 -6.256 -5.016 1.00 53.11 C ATOM 0 H VAL A 77 -3.169 -8.547 -4.043 1.00 22.25 H new ATOM 0 HA VAL A 77 -3.435 -7.939 -6.752 1.00 25.34 H new ATOM 0 HB VAL A 77 -0.971 -8.001 -4.972 1.00 14.12 H new ATOM 0 HG11 VAL A 77 0.010 -6.406 -6.569 1.00 12.14 H new ATOM 0 HG12 VAL A 77 -0.324 -7.982 -7.324 1.00 12.14 H new ATOM 0 HG13 VAL A 77 -1.407 -6.603 -7.628 1.00 12.14 H new ATOM 0 HG21 VAL A 77 -1.393 -5.580 -4.734 1.00 53.11 H new ATOM 0 HG22 VAL A 77 -2.873 -5.750 -5.709 1.00 53.11 H new ATOM 0 HG23 VAL A 77 -2.753 -6.552 -4.124 1.00 53.11 H new ATOM 1228 N MET A 78 -1.597 -10.597 -6.077 1.00 0.45 N ATOM 1229 CA MET A 78 -0.972 -11.785 -6.655 1.00 15.04 C ATOM 1230 C MET A 78 -2.014 -12.650 -7.362 1.00 33.50 C ATOM 1231 O MET A 78 -1.708 -13.352 -8.327 1.00 2.04 O ATOM 1232 CB MET A 78 -0.254 -12.585 -5.559 1.00 24.13 C ATOM 1233 CG MET A 78 0.758 -11.758 -4.779 1.00 23.54 C ATOM 1234 SD MET A 78 1.507 -12.655 -3.406 1.00 12.21 S ATOM 1235 CE MET A 78 2.557 -13.804 -4.290 1.00 62.13 C ATOM 0 H MET A 78 -1.575 -10.566 -5.058 1.00 0.45 H new ATOM 0 HA MET A 78 -0.237 -11.471 -7.396 1.00 15.04 H new ATOM 0 HB2 MET A 78 -0.994 -12.988 -4.868 1.00 24.13 H new ATOM 0 HB3 MET A 78 0.254 -13.436 -6.013 1.00 24.13 H new ATOM 0 HG2 MET A 78 1.543 -11.424 -5.457 1.00 23.54 H new ATOM 0 HG3 MET A 78 0.267 -10.864 -4.395 1.00 23.54 H new ATOM 0 HE1 MET A 78 3.194 -14.334 -3.582 1.00 62.13 H new ATOM 0 HE2 MET A 78 1.938 -14.522 -4.829 1.00 62.13 H new ATOM 0 HE3 MET A 78 3.179 -13.257 -4.999 1.00 62.13 H new ATOM 1245 N ASP A 79 -3.247 -12.587 -6.880 1.00 43.23 N ATOM 1246 CA ASP A 79 -4.357 -13.298 -7.506 1.00 23.32 C ATOM 1247 C ASP A 79 -4.774 -12.593 -8.795 1.00 71.13 C ATOM 1248 O ASP A 79 -4.936 -13.223 -9.842 1.00 60.13 O ATOM 1249 CB ASP A 79 -5.539 -13.379 -6.538 1.00 3.15 C ATOM 1250 CG ASP A 79 -6.708 -14.158 -7.102 1.00 52.14 C ATOM 1251 OD1 ASP A 79 -6.630 -15.405 -7.146 1.00 13.22 O ATOM 1252 OD2 ASP A 79 -7.713 -13.531 -7.492 1.00 65.52 O ATOM 0 H ASP A 79 -3.507 -12.049 -6.053 1.00 43.23 H new ATOM 0 HA ASP A 79 -4.035 -14.310 -7.752 1.00 23.32 H new ATOM 0 HB2 ASP A 79 -5.211 -13.847 -5.610 1.00 3.15 H new ATOM 0 HB3 ASP A 79 -5.868 -12.370 -6.288 1.00 3.15 H new ATOM 1257 N ILE A 80 -4.919 -11.276 -8.710 1.00 34.12 N ATOM 1258 CA ILE A 80 -5.246 -10.455 -9.870 1.00 41.01 C ATOM 1259 C ILE A 80 -4.164 -10.591 -10.942 1.00 31.41 C ATOM 1260 O ILE A 80 -4.461 -10.740 -12.128 1.00 53.33 O ATOM 1261 CB ILE A 80 -5.400 -8.971 -9.470 1.00 42.25 C ATOM 1262 CG1 ILE A 80 -6.528 -8.815 -8.453 1.00 15.55 C ATOM 1263 CG2 ILE A 80 -5.676 -8.110 -10.691 1.00 20.21 C ATOM 1264 CD1 ILE A 80 -6.616 -7.426 -7.858 1.00 14.00 C ATOM 0 H ILE A 80 -4.814 -10.750 -7.842 1.00 34.12 H new ATOM 0 HA ILE A 80 -6.195 -10.807 -10.273 1.00 41.01 H new ATOM 0 HB ILE A 80 -4.465 -8.639 -9.018 1.00 42.25 H new ATOM 0 HG12 ILE A 80 -7.476 -9.057 -8.934 1.00 15.55 H new ATOM 0 HG13 ILE A 80 -6.385 -9.538 -7.650 1.00 15.55 H new ATOM 0 HG21 ILE A 80 -5.781 -7.069 -10.386 1.00 20.21 H new ATOM 0 HG22 ILE A 80 -4.848 -8.200 -11.395 1.00 20.21 H new ATOM 0 HG23 ILE A 80 -6.597 -8.442 -11.170 1.00 20.21 H new ATOM 0 HD11 ILE A 80 -7.439 -7.387 -7.144 1.00 14.00 H new ATOM 0 HD12 ILE A 80 -5.682 -7.189 -7.348 1.00 14.00 H new ATOM 0 HD13 ILE A 80 -6.790 -6.700 -8.652 1.00 14.00 H new ATOM 1276 N LEU A 81 -2.906 -10.550 -10.509 1.00 25.10 N ATOM 1277 CA LEU A 81 -1.768 -10.753 -11.404 1.00 24.31 C ATOM 1278 C LEU A 81 -1.818 -12.128 -12.052 1.00 21.40 C ATOM 1279 O LEU A 81 -1.435 -12.289 -13.204 1.00 52.25 O ATOM 1280 CB LEU A 81 -0.452 -10.589 -10.647 1.00 54.11 C ATOM 1281 CG LEU A 81 -0.095 -9.152 -10.285 1.00 64.42 C ATOM 1282 CD1 LEU A 81 1.096 -9.128 -9.345 1.00 41.32 C ATOM 1283 CD2 LEU A 81 0.204 -8.351 -11.542 1.00 74.42 C ATOM 0 H LEU A 81 -2.648 -10.377 -9.538 1.00 25.10 H new ATOM 0 HA LEU A 81 -1.826 -9.997 -12.187 1.00 24.31 H new ATOM 0 HB2 LEU A 81 -0.501 -11.178 -9.731 1.00 54.11 H new ATOM 0 HB3 LEU A 81 0.353 -11.007 -11.252 1.00 54.11 H new ATOM 0 HG LEU A 81 -0.946 -8.697 -9.778 1.00 64.42 H new ATOM 0 HD11 LEU A 81 1.341 -8.096 -9.094 1.00 41.32 H new ATOM 0 HD12 LEU A 81 0.852 -9.675 -8.434 1.00 41.32 H new ATOM 0 HD13 LEU A 81 1.952 -9.596 -9.831 1.00 41.32 H new ATOM 0 HD21 LEU A 81 0.457 -7.327 -11.269 1.00 74.42 H new ATOM 0 HD22 LEU A 81 1.043 -8.804 -12.071 1.00 74.42 H new ATOM 0 HD23 LEU A 81 -0.673 -8.348 -12.189 1.00 74.42 H new ATOM 1295 N ASN A 82 -2.300 -13.111 -11.308 1.00 33.02 N ATOM 1296 CA ASN A 82 -2.451 -14.464 -11.830 1.00 20.43 C ATOM 1297 C ASN A 82 -3.375 -14.461 -13.047 1.00 61.01 C ATOM 1298 O ASN A 82 -3.123 -15.150 -14.036 1.00 73.34 O ATOM 1299 CB ASN A 82 -3.007 -15.384 -10.740 1.00 4.10 C ATOM 1300 CG ASN A 82 -3.174 -16.823 -11.194 1.00 42.10 C ATOM 1301 OD1 ASN A 82 -4.120 -17.501 -10.795 1.00 71.21 O ATOM 1302 ND2 ASN A 82 -2.248 -17.309 -12.005 1.00 74.44 N ATOM 0 H ASN A 82 -2.595 -12.999 -10.338 1.00 33.02 H new ATOM 0 HA ASN A 82 -1.474 -14.836 -12.139 1.00 20.43 H new ATOM 0 HB2 ASN A 82 -2.341 -15.358 -9.878 1.00 4.10 H new ATOM 0 HB3 ASN A 82 -3.972 -15.001 -10.409 1.00 4.10 H new ATOM 0 HD21 ASN A 82 -2.304 -18.277 -12.321 1.00 74.44 H new ATOM 0 HD22 ASN A 82 -1.478 -16.715 -12.314 1.00 74.44 H new ATOM 1309 N PHE A 83 -4.436 -13.667 -12.974 1.00 3.54 N ATOM 1310 CA PHE A 83 -5.357 -13.526 -14.096 1.00 32.14 C ATOM 1311 C PHE A 83 -4.751 -12.675 -15.212 1.00 24.54 C ATOM 1312 O PHE A 83 -4.950 -12.957 -16.393 1.00 23.40 O ATOM 1313 CB PHE A 83 -6.683 -12.920 -13.634 1.00 12.11 C ATOM 1314 CG PHE A 83 -7.548 -13.882 -12.873 1.00 73.33 C ATOM 1315 CD1 PHE A 83 -7.406 -14.039 -11.505 1.00 75.23 C ATOM 1316 CD2 PHE A 83 -8.511 -14.630 -13.533 1.00 55.14 C ATOM 1317 CE1 PHE A 83 -8.207 -14.923 -10.809 1.00 34.43 C ATOM 1318 CE2 PHE A 83 -9.315 -15.516 -12.843 1.00 73.11 C ATOM 1319 CZ PHE A 83 -9.164 -15.662 -11.478 1.00 74.43 C ATOM 0 H PHE A 83 -4.680 -13.113 -12.153 1.00 3.54 H new ATOM 0 HA PHE A 83 -5.544 -14.523 -14.494 1.00 32.14 H new ATOM 0 HB2 PHE A 83 -6.478 -12.053 -13.006 1.00 12.11 H new ATOM 0 HB3 PHE A 83 -7.232 -12.560 -14.504 1.00 12.11 H new ATOM 0 HD1 PHE A 83 -6.661 -13.464 -10.976 1.00 75.23 H new ATOM 0 HD2 PHE A 83 -8.634 -14.518 -14.600 1.00 55.14 H new ATOM 0 HE1 PHE A 83 -8.085 -15.037 -9.742 1.00 34.43 H new ATOM 0 HE2 PHE A 83 -10.060 -16.093 -13.370 1.00 73.11 H new ATOM 0 HZ PHE A 83 -9.792 -16.352 -10.935 1.00 74.43 H new ATOM 1329 N TYR A 84 -4.010 -11.638 -14.840 1.00 61.35 N ATOM 1330 CA TYR A 84 -3.390 -10.757 -15.824 1.00 33.44 C ATOM 1331 C TYR A 84 -2.187 -11.415 -16.487 1.00 10.22 C ATOM 1332 O TYR A 84 -2.255 -11.837 -17.642 1.00 41.03 O ATOM 1333 CB TYR A 84 -2.957 -9.433 -15.192 1.00 3.35 C ATOM 1334 CG TYR A 84 -4.092 -8.478 -14.913 1.00 21.23 C ATOM 1335 CD1 TYR A 84 -5.215 -8.435 -15.732 1.00 32.24 C ATOM 1336 CD2 TYR A 84 -4.030 -7.602 -13.840 1.00 1.24 C ATOM 1337 CE1 TYR A 84 -6.243 -7.548 -15.485 1.00 4.42 C ATOM 1338 CE2 TYR A 84 -5.054 -6.715 -13.585 1.00 33.35 C ATOM 1339 CZ TYR A 84 -6.157 -6.690 -14.409 1.00 14.42 C ATOM 1340 OH TYR A 84 -7.173 -5.801 -14.156 1.00 71.33 O ATOM 0 H TYR A 84 -3.824 -11.387 -13.869 1.00 61.35 H new ATOM 0 HA TYR A 84 -4.145 -10.558 -16.584 1.00 33.44 H new ATOM 0 HB2 TYR A 84 -2.436 -9.643 -14.258 1.00 3.35 H new ATOM 0 HB3 TYR A 84 -2.241 -8.945 -15.853 1.00 3.35 H new ATOM 0 HD1 TYR A 84 -5.284 -9.107 -16.575 1.00 32.24 H new ATOM 0 HD2 TYR A 84 -3.165 -7.615 -13.193 1.00 1.24 H new ATOM 0 HE1 TYR A 84 -7.109 -7.526 -16.130 1.00 4.42 H new ATOM 0 HE2 TYR A 84 -4.991 -6.042 -12.742 1.00 33.35 H new ATOM 0 HH TYR A 84 -6.954 -5.272 -13.361 1.00 71.33 H new ATOM 1350 N ASN A 85 -1.096 -11.510 -15.749 1.00 43.52 N ATOM 1351 CA ASN A 85 0.156 -11.992 -16.297 1.00 52.30 C ATOM 1352 C ASN A 85 1.102 -12.412 -15.182 1.00 43.34 C ATOM 1353 O ASN A 85 1.287 -11.691 -14.202 1.00 31.12 O ATOM 1354 CB ASN A 85 0.812 -10.905 -17.165 1.00 22.31 C ATOM 1355 CG ASN A 85 1.194 -9.655 -16.380 1.00 33.03 C ATOM 1356 OD1 ASN A 85 0.368 -8.767 -16.158 1.00 73.33 O ATOM 1357 ND2 ASN A 85 2.459 -9.553 -15.992 1.00 13.21 N ATOM 0 H ASN A 85 -1.053 -11.257 -14.762 1.00 43.52 H new ATOM 0 HA ASN A 85 -0.054 -12.862 -16.920 1.00 52.30 H new ATOM 0 HB2 ASN A 85 1.704 -11.316 -17.637 1.00 22.31 H new ATOM 0 HB3 ASN A 85 0.127 -10.627 -17.966 1.00 22.31 H new ATOM 0 HD21 ASN A 85 2.774 -8.721 -15.494 1.00 13.21 H new ATOM 0 HD22 ASN A 85 3.116 -10.307 -16.192 1.00 13.21 H new ATOM 1364 N LYS A 86 1.695 -13.584 -15.332 1.00 75.12 N ATOM 1365 CA LYS A 86 2.698 -14.050 -14.388 1.00 10.24 C ATOM 1366 C LYS A 86 4.084 -13.760 -14.943 1.00 10.42 C ATOM 1367 O LYS A 86 5.082 -14.279 -14.453 1.00 10.13 O ATOM 1368 CB LYS A 86 2.545 -15.545 -14.115 1.00 10.32 C ATOM 1369 CG LYS A 86 2.825 -16.422 -15.320 1.00 71.13 C ATOM 1370 CD LYS A 86 2.825 -17.899 -14.955 1.00 72.03 C ATOM 1371 CE LYS A 86 4.045 -18.297 -14.124 1.00 22.21 C ATOM 1372 NZ LYS A 86 3.965 -17.814 -12.717 1.00 71.13 N ATOM 0 H LYS A 86 1.500 -14.230 -16.097 1.00 75.12 H new ATOM 0 HA LYS A 86 2.561 -13.522 -13.444 1.00 10.24 H new ATOM 0 HB2 LYS A 86 3.220 -15.828 -13.307 1.00 10.32 H new ATOM 0 HB3 LYS A 86 1.531 -15.738 -13.765 1.00 10.32 H new ATOM 0 HG2 LYS A 86 2.073 -16.237 -16.087 1.00 71.13 H new ATOM 0 HG3 LYS A 86 3.790 -16.153 -15.749 1.00 71.13 H new ATOM 0 HD2 LYS A 86 1.918 -18.132 -14.397 1.00 72.03 H new ATOM 0 HD3 LYS A 86 2.801 -18.495 -15.867 1.00 72.03 H new ATOM 0 HE2 LYS A 86 4.142 -19.383 -14.126 1.00 22.21 H new ATOM 0 HE3 LYS A 86 4.944 -17.895 -14.591 1.00 22.21 H new ATOM 0 HZ1 LYS A 86 4.212 -18.589 -12.069 1.00 71.13 H new ATOM 0 HZ2 LYS A 86 4.630 -17.026 -12.582 1.00 71.13 H new ATOM 0 HZ3 LYS A 86 2.998 -17.489 -12.516 1.00 71.13 H new ATOM 1386 N ASP A 87 4.115 -12.908 -15.963 1.00 74.50 N ATOM 1387 CA ASP A 87 5.334 -12.578 -16.704 1.00 14.43 C ATOM 1388 C ASP A 87 6.506 -12.231 -15.788 1.00 42.24 C ATOM 1389 O ASP A 87 7.489 -12.973 -15.718 1.00 74.25 O ATOM 1390 CB ASP A 87 5.052 -11.413 -17.650 1.00 31.33 C ATOM 1391 CG ASP A 87 6.259 -11.011 -18.473 1.00 43.02 C ATOM 1392 OD1 ASP A 87 6.610 -11.748 -19.415 1.00 30.05 O ATOM 1393 OD2 ASP A 87 6.841 -9.939 -18.196 1.00 74.32 O ATOM 0 H ASP A 87 3.287 -12.420 -16.304 1.00 74.50 H new ATOM 0 HA ASP A 87 5.624 -13.465 -17.268 1.00 14.43 H new ATOM 0 HB2 ASP A 87 4.237 -11.686 -18.320 1.00 31.33 H new ATOM 0 HB3 ASP A 87 4.713 -10.555 -17.069 1.00 31.33 H new ATOM 1398 N MET A 88 6.399 -11.115 -15.080 1.00 72.34 N ATOM 1399 CA MET A 88 7.478 -10.663 -14.209 1.00 71.35 C ATOM 1400 C MET A 88 7.547 -11.514 -12.943 1.00 40.42 C ATOM 1401 O MET A 88 8.601 -11.648 -12.341 1.00 41.35 O ATOM 1402 CB MET A 88 7.312 -9.180 -13.843 1.00 61.32 C ATOM 1403 CG MET A 88 6.226 -8.908 -12.814 1.00 70.10 C ATOM 1404 SD MET A 88 4.596 -9.477 -13.333 1.00 25.44 S ATOM 1405 CE MET A 88 3.669 -9.174 -11.835 1.00 32.24 C ATOM 0 H MET A 88 5.580 -10.507 -15.091 1.00 72.34 H new ATOM 0 HA MET A 88 8.413 -10.777 -14.757 1.00 71.35 H new ATOM 0 HB2 MET A 88 8.261 -8.804 -13.461 1.00 61.32 H new ATOM 0 HB3 MET A 88 7.087 -8.617 -14.749 1.00 61.32 H new ATOM 0 HG2 MET A 88 6.492 -9.396 -11.877 1.00 70.10 H new ATOM 0 HG3 MET A 88 6.183 -7.837 -12.615 1.00 70.10 H new ATOM 0 HE1 MET A 88 2.902 -9.940 -11.720 1.00 32.24 H new ATOM 0 HE2 MET A 88 4.342 -9.203 -10.978 1.00 32.24 H new ATOM 0 HE3 MET A 88 3.196 -8.193 -11.892 1.00 32.24 H new ATOM 1415 N TYR A 89 6.419 -12.097 -12.555 1.00 45.03 N ATOM 1416 CA TYR A 89 6.357 -12.957 -11.389 1.00 54.12 C ATOM 1417 C TYR A 89 7.199 -14.212 -11.603 1.00 52.22 C ATOM 1418 O TYR A 89 7.855 -14.699 -10.686 1.00 14.24 O ATOM 1419 CB TYR A 89 4.899 -13.324 -11.125 1.00 74.30 C ATOM 1420 CG TYR A 89 4.690 -14.156 -9.889 1.00 31.34 C ATOM 1421 CD1 TYR A 89 4.786 -13.585 -8.633 1.00 4.25 C ATOM 1422 CD2 TYR A 89 4.397 -15.506 -9.980 1.00 22.11 C ATOM 1423 CE1 TYR A 89 4.595 -14.339 -7.491 1.00 51.30 C ATOM 1424 CE2 TYR A 89 4.203 -16.272 -8.847 1.00 34.12 C ATOM 1425 CZ TYR A 89 4.304 -15.683 -7.603 1.00 62.04 C ATOM 1426 OH TYR A 89 4.112 -16.443 -6.471 1.00 11.53 O ATOM 0 H TYR A 89 5.528 -11.985 -13.040 1.00 45.03 H new ATOM 0 HA TYR A 89 6.761 -12.431 -10.524 1.00 54.12 H new ATOM 0 HB2 TYR A 89 4.315 -12.408 -11.037 1.00 74.30 H new ATOM 0 HB3 TYR A 89 4.511 -13.868 -11.986 1.00 74.30 H new ATOM 0 HD1 TYR A 89 5.014 -12.533 -8.543 1.00 4.25 H new ATOM 0 HD2 TYR A 89 4.319 -15.968 -10.953 1.00 22.11 H new ATOM 0 HE1 TYR A 89 4.673 -13.879 -6.517 1.00 51.30 H new ATOM 0 HE2 TYR A 89 3.974 -17.324 -8.934 1.00 34.12 H new ATOM 0 HH TYR A 89 3.915 -17.368 -6.728 1.00 11.53 H new ATOM 1436 N ASN A 90 7.185 -14.705 -12.833 1.00 24.43 N ATOM 1437 CA ASN A 90 7.915 -15.913 -13.207 1.00 31.21 C ATOM 1438 C ASN A 90 9.424 -15.689 -13.114 1.00 2.52 C ATOM 1439 O ASN A 90 10.178 -16.585 -12.737 1.00 53.31 O ATOM 1440 CB ASN A 90 7.524 -16.313 -14.632 1.00 43.42 C ATOM 1441 CG ASN A 90 8.174 -17.597 -15.115 1.00 2.35 C ATOM 1442 OD1 ASN A 90 8.435 -18.518 -14.340 1.00 23.33 O ATOM 1443 ND2 ASN A 90 8.429 -17.663 -16.411 1.00 51.21 N ATOM 0 H ASN A 90 6.667 -14.280 -13.602 1.00 24.43 H new ATOM 0 HA ASN A 90 7.654 -16.715 -12.516 1.00 31.21 H new ATOM 0 HB2 ASN A 90 6.441 -16.425 -14.682 1.00 43.42 H new ATOM 0 HB3 ASN A 90 7.793 -15.504 -15.312 1.00 43.42 H new ATOM 0 HD21 ASN A 90 8.858 -18.501 -16.804 1.00 51.21 H new ATOM 0 HD22 ASN A 90 8.196 -16.876 -17.017 1.00 51.21 H new ATOM 1450 N GLN A 91 9.859 -14.485 -13.450 1.00 62.40 N ATOM 1451 CA GLN A 91 11.277 -14.158 -13.413 1.00 61.04 C ATOM 1452 C GLN A 91 11.685 -13.649 -12.034 1.00 71.44 C ATOM 1453 O GLN A 91 12.826 -13.826 -11.610 1.00 32.24 O ATOM 1454 CB GLN A 91 11.620 -13.127 -14.492 1.00 4.02 C ATOM 1455 CG GLN A 91 10.902 -11.796 -14.338 1.00 42.41 C ATOM 1456 CD GLN A 91 11.266 -10.795 -15.420 1.00 1.43 C ATOM 1457 OE1 GLN A 91 10.456 -9.947 -15.793 1.00 3.00 O ATOM 1458 NE2 GLN A 91 12.483 -10.886 -15.930 1.00 61.34 N ATOM 0 H GLN A 91 9.254 -13.720 -13.750 1.00 62.40 H new ATOM 0 HA GLN A 91 11.839 -15.069 -13.616 1.00 61.04 H new ATOM 0 HB2 GLN A 91 12.695 -12.950 -14.479 1.00 4.02 H new ATOM 0 HB3 GLN A 91 11.377 -13.546 -15.468 1.00 4.02 H new ATOM 0 HG2 GLN A 91 9.826 -11.966 -14.356 1.00 42.41 H new ATOM 0 HG3 GLN A 91 11.141 -11.371 -13.363 1.00 42.41 H new ATOM 0 HE21 GLN A 91 13.125 -11.604 -15.593 1.00 61.34 H new ATOM 0 HE22 GLN A 91 12.780 -10.239 -16.660 1.00 61.34 H new ATOM 1467 N LEU A 92 10.747 -13.017 -11.342 1.00 32.10 N ATOM 1468 CA LEU A 92 10.986 -12.526 -9.996 1.00 31.12 C ATOM 1469 C LEU A 92 11.093 -13.691 -9.023 1.00 40.22 C ATOM 1470 O LEU A 92 12.143 -13.921 -8.418 1.00 32.34 O ATOM 1471 CB LEU A 92 9.848 -11.588 -9.578 1.00 22.21 C ATOM 1472 CG LEU A 92 10.233 -10.459 -8.617 1.00 43.21 C ATOM 1473 CD1 LEU A 92 9.074 -9.488 -8.450 1.00 23.24 C ATOM 1474 CD2 LEU A 92 10.655 -11.005 -7.260 1.00 1.22 C ATOM 0 H LEU A 92 9.808 -12.832 -11.695 1.00 32.10 H new ATOM 0 HA LEU A 92 11.926 -11.974 -9.980 1.00 31.12 H new ATOM 0 HB2 LEU A 92 9.420 -11.144 -10.477 1.00 22.21 H new ATOM 0 HB3 LEU A 92 9.064 -12.184 -9.112 1.00 22.21 H new ATOM 0 HG LEU A 92 11.083 -9.931 -9.049 1.00 43.21 H new ATOM 0 HD11 LEU A 92 9.363 -8.691 -7.764 1.00 23.24 H new ATOM 0 HD12 LEU A 92 8.817 -9.058 -9.418 1.00 23.24 H new ATOM 0 HD13 LEU A 92 8.211 -10.018 -8.048 1.00 23.24 H new ATOM 0 HD21 LEU A 92 10.922 -10.178 -6.602 1.00 1.22 H new ATOM 0 HD22 LEU A 92 9.830 -11.566 -6.821 1.00 1.22 H new ATOM 0 HD23 LEU A 92 11.516 -11.662 -7.384 1.00 1.22 H new ATOM 1486 N GLU A 93 10.011 -14.436 -8.887 1.00 1.13 N ATOM 1487 CA GLU A 93 9.976 -15.544 -7.950 1.00 44.11 C ATOM 1488 C GLU A 93 10.095 -16.879 -8.658 1.00 41.20 C ATOM 1489 O GLU A 93 9.097 -17.505 -9.019 1.00 62.12 O ATOM 1490 CB GLU A 93 8.712 -15.525 -7.093 1.00 44.34 C ATOM 1491 CG GLU A 93 8.689 -14.407 -6.071 1.00 64.44 C ATOM 1492 CD GLU A 93 7.918 -14.787 -4.825 1.00 23.23 C ATOM 1493 OE1 GLU A 93 8.448 -15.586 -4.021 1.00 25.30 O ATOM 1494 OE2 GLU A 93 6.794 -14.287 -4.631 1.00 25.34 O ATOM 0 H GLU A 93 9.148 -14.295 -9.411 1.00 1.13 H new ATOM 0 HA GLU A 93 10.838 -15.419 -7.294 1.00 44.11 H new ATOM 0 HB2 GLU A 93 7.843 -15.429 -7.744 1.00 44.34 H new ATOM 0 HB3 GLU A 93 8.619 -16.480 -6.576 1.00 44.34 H new ATOM 0 HG2 GLU A 93 9.711 -14.146 -5.798 1.00 64.44 H new ATOM 0 HG3 GLU A 93 8.241 -13.519 -6.517 1.00 64.44 H new ATOM 1501 N HIS A 94 11.326 -17.301 -8.868 1.00 44.11 N ATOM 1502 CA HIS A 94 11.592 -18.641 -9.359 1.00 52.52 C ATOM 1503 C HIS A 94 12.323 -19.424 -8.275 1.00 24.25 C ATOM 1504 O HIS A 94 13.551 -19.418 -8.195 1.00 42.52 O ATOM 1505 CB HIS A 94 12.379 -18.626 -10.687 1.00 62.41 C ATOM 1506 CG HIS A 94 13.679 -17.873 -10.651 1.00 71.52 C ATOM 1507 ND1 HIS A 94 14.906 -18.495 -10.619 1.00 4.33 N ATOM 1508 CD2 HIS A 94 13.936 -16.544 -10.651 1.00 71.15 C ATOM 1509 CE1 HIS A 94 15.861 -17.585 -10.600 1.00 51.34 C ATOM 1510 NE2 HIS A 94 15.300 -16.392 -10.619 1.00 61.33 N ATOM 0 H HIS A 94 12.160 -16.736 -8.707 1.00 44.11 H new ATOM 0 HA HIS A 94 10.645 -19.133 -9.581 1.00 52.52 H new ATOM 0 HB2 HIS A 94 12.582 -19.655 -10.982 1.00 62.41 H new ATOM 0 HB3 HIS A 94 11.747 -18.191 -11.461 1.00 62.41 H new ATOM 0 HD2 HIS A 94 13.204 -15.750 -10.672 1.00 71.15 H new ATOM 0 HE1 HIS A 94 16.922 -17.784 -10.573 1.00 51.34 H new ATOM 0 HE2 HIS A 94 15.798 -15.502 -10.611 1.00 61.33 H new ATOM 1519 N HIS A 95 11.549 -20.049 -7.398 1.00 34.41 N ATOM 1520 CA HIS A 95 12.114 -20.777 -6.272 1.00 32.24 C ATOM 1521 C HIS A 95 12.752 -22.067 -6.758 1.00 33.23 C ATOM 1522 O HIS A 95 12.068 -23.060 -7.005 1.00 21.43 O ATOM 1523 CB HIS A 95 11.049 -21.064 -5.207 1.00 30.34 C ATOM 1524 CG HIS A 95 10.532 -19.830 -4.522 1.00 51.11 C ATOM 1525 ND1 HIS A 95 10.958 -19.426 -3.277 1.00 13.52 N ATOM 1526 CD2 HIS A 95 9.613 -18.911 -4.913 1.00 74.31 C ATOM 1527 CE1 HIS A 95 10.327 -18.321 -2.931 1.00 53.21 C ATOM 1528 NE2 HIS A 95 9.508 -17.987 -3.906 1.00 65.14 N ATOM 0 H HIS A 95 10.530 -20.066 -7.445 1.00 34.41 H new ATOM 0 HA HIS A 95 12.882 -20.156 -5.810 1.00 32.24 H new ATOM 0 HB2 HIS A 95 10.214 -21.587 -5.673 1.00 30.34 H new ATOM 0 HB3 HIS A 95 11.468 -21.736 -4.458 1.00 30.34 H new ATOM 0 HD2 HIS A 95 9.066 -18.908 -5.844 1.00 74.31 H new ATOM 0 HE1 HIS A 95 10.460 -17.782 -2.005 1.00 53.21 H new ATOM 0 HE2 HIS A 95 8.894 -17.172 -3.911 1.00 65.14 H new ATOM 1537 N HIS A 96 14.065 -22.027 -6.927 1.00 54.34 N ATOM 1538 CA HIS A 96 14.803 -23.153 -7.478 1.00 62.45 C ATOM 1539 C HIS A 96 14.860 -24.314 -6.488 1.00 75.33 C ATOM 1540 O HIS A 96 15.155 -24.126 -5.308 1.00 2.53 O ATOM 1541 CB HIS A 96 16.222 -22.724 -7.897 1.00 13.51 C ATOM 1542 CG HIS A 96 17.166 -22.447 -6.760 1.00 50.01 C ATOM 1543 ND1 HIS A 96 18.317 -23.171 -6.555 1.00 30.13 N ATOM 1544 CD2 HIS A 96 17.130 -21.518 -5.775 1.00 41.34 C ATOM 1545 CE1 HIS A 96 18.948 -22.704 -5.496 1.00 75.33 C ATOM 1546 NE2 HIS A 96 18.250 -21.700 -5.000 1.00 61.02 N ATOM 0 H HIS A 96 14.644 -21.222 -6.689 1.00 54.34 H new ATOM 0 HA HIS A 96 14.272 -23.497 -8.366 1.00 62.45 H new ATOM 0 HB2 HIS A 96 16.651 -23.506 -8.523 1.00 13.51 H new ATOM 0 HB3 HIS A 96 16.147 -21.828 -8.513 1.00 13.51 H new ATOM 0 HD2 HIS A 96 16.363 -20.772 -5.626 1.00 41.34 H new ATOM 0 HE1 HIS A 96 19.880 -23.080 -5.101 1.00 75.33 H new ATOM 0 HE2 HIS A 96 18.500 -21.150 -4.178 1.00 61.02 H new ATOM 1555 N HIS A 97 14.554 -25.504 -6.978 1.00 75.54 N ATOM 1556 CA HIS A 97 14.626 -26.714 -6.171 1.00 63.12 C ATOM 1557 C HIS A 97 14.762 -27.940 -7.066 1.00 11.13 C ATOM 1558 O HIS A 97 13.778 -28.575 -7.439 1.00 73.55 O ATOM 1559 CB HIS A 97 13.419 -26.846 -5.218 1.00 21.40 C ATOM 1560 CG HIS A 97 12.074 -26.538 -5.823 1.00 10.21 C ATOM 1561 ND1 HIS A 97 11.010 -26.089 -5.073 1.00 54.23 N ATOM 1562 CD2 HIS A 97 11.618 -26.623 -7.096 1.00 72.20 C ATOM 1563 CE1 HIS A 97 9.963 -25.912 -5.855 1.00 24.14 C ATOM 1564 NE2 HIS A 97 10.306 -26.229 -7.089 1.00 71.02 N ATOM 0 H HIS A 97 14.251 -25.660 -7.939 1.00 75.54 H new ATOM 0 HA HIS A 97 15.515 -26.643 -5.544 1.00 63.12 H new ATOM 0 HB2 HIS A 97 13.397 -27.863 -4.827 1.00 21.40 H new ATOM 0 HB3 HIS A 97 13.576 -26.182 -4.368 1.00 21.40 H new ATOM 0 HD2 HIS A 97 12.185 -26.943 -7.958 1.00 72.20 H new ATOM 0 HE1 HIS A 97 8.990 -25.566 -5.539 1.00 24.14 H new ATOM 0 HE2 HIS A 97 9.694 -26.187 -7.904 1.00 71.02 H new ATOM 1573 N HIS A 98 15.994 -28.246 -7.437 1.00 34.40 N ATOM 1574 CA HIS A 98 16.262 -29.378 -8.312 1.00 52.50 C ATOM 1575 C HIS A 98 16.132 -30.695 -7.556 1.00 32.14 C ATOM 1576 O HIS A 98 16.441 -30.778 -6.366 1.00 51.12 O ATOM 1577 CB HIS A 98 17.647 -29.261 -8.974 1.00 63.52 C ATOM 1578 CG HIS A 98 18.783 -28.960 -8.034 1.00 34.50 C ATOM 1579 ND1 HIS A 98 19.663 -27.919 -8.236 1.00 41.43 N ATOM 1580 CD2 HIS A 98 19.194 -29.576 -6.898 1.00 11.25 C ATOM 1581 CE1 HIS A 98 20.560 -27.907 -7.269 1.00 23.34 C ATOM 1582 NE2 HIS A 98 20.296 -28.901 -6.446 1.00 33.14 N ATOM 0 H HIS A 98 16.824 -27.728 -7.147 1.00 34.40 H new ATOM 0 HA HIS A 98 15.514 -29.366 -9.104 1.00 52.50 H new ATOM 0 HB2 HIS A 98 17.864 -30.195 -9.493 1.00 63.52 H new ATOM 0 HB3 HIS A 98 17.605 -28.478 -9.731 1.00 63.52 H new ATOM 0 HD2 HIS A 98 18.737 -30.439 -6.436 1.00 11.25 H new ATOM 0 HE1 HIS A 98 21.372 -27.202 -7.169 1.00 23.34 H new ATOM 0 HE2 HIS A 98 20.828 -29.131 -5.606 1.00 33.14 H new ATOM 1591 N HIS A 99 15.666 -31.719 -8.249 1.00 71.13 N ATOM 1592 CA HIS A 99 15.482 -33.030 -7.640 1.00 71.32 C ATOM 1593 C HIS A 99 16.152 -34.105 -8.484 1.00 45.33 C ATOM 1594 O HIS A 99 16.751 -33.797 -9.515 1.00 23.45 O ATOM 1595 CB HIS A 99 13.989 -33.348 -7.448 1.00 64.55 C ATOM 1596 CG HIS A 99 13.208 -33.478 -8.721 1.00 35.43 C ATOM 1597 ND1 HIS A 99 12.848 -34.693 -9.262 1.00 55.42 N ATOM 1598 CD2 HIS A 99 12.712 -32.537 -9.558 1.00 74.00 C ATOM 1599 CE1 HIS A 99 12.169 -34.493 -10.375 1.00 34.24 C ATOM 1600 NE2 HIS A 99 12.071 -33.192 -10.576 1.00 45.41 N ATOM 0 H HIS A 99 15.407 -31.671 -9.234 1.00 71.13 H new ATOM 0 HA HIS A 99 15.951 -33.015 -6.656 1.00 71.32 H new ATOM 0 HB2 HIS A 99 13.899 -34.277 -6.886 1.00 64.55 H new ATOM 0 HB3 HIS A 99 13.539 -32.563 -6.840 1.00 64.55 H new ATOM 0 HD2 HIS A 99 12.805 -31.467 -9.444 1.00 74.00 H new ATOM 0 HE1 HIS A 99 11.762 -35.263 -11.014 1.00 34.24 H new ATOM 0 HE2 HIS A 99 11.596 -32.747 -11.361 1.00 45.41 H new TER 1609 HIS A 99