USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 792 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 94 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-2.2!) USER MOD Set 1.2: A 95 HIS : no HD1:sc= -0.0256 X(o=-1.1,f=-1.3) USER MOD Set 2.1: A 22 ASN : amide:sc= -9.69! C(o=-12!,f=-13!) USER MOD Set 2.2: A 81 THR OG1 : rot -99:sc= -2.32 USER MOD Set 3.1: A 61 MET CE :methyl 151:sc= -1.01 (180deg=-3.87!) USER MOD Set 3.2: A 65 GLN : amide:sc= -0.0598 X(o=-1.1,f=-1) USER MOD Set 4.1: A 36 HIS : no HD1:sc= -0.496 K(o=-0.52,f=-2.1) USER MOD Set 4.2: A 66 GLN : amide:sc= -0.0269 K(o=-0.52,f=-1.8) USER MOD Set 5.1: A 35 ASN : amide:sc= -1.04 K(o=-1.1,f=-1.9!) USER MOD Set 5.2: A 38 GLN : amide:sc= -0.0251 X(o=-1.1,f=-1.1) USER MOD Set 6.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 31 HIS : no HD1:sc= -0.321 K(o=-0.32,f=-1.4) USER MOD Set 7.1: A 24 HIS : no HE2:sc= -0.3 K(o=-0.5,f=-3.4) USER MOD Set 7.2: A 74 HIS : no HD1:sc= -0.204 K(o=-0.5,f=-2.4) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -3.88 K(o=-3.9,f=-16!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 20 HIS : no HD1:sc= -9.47! C(o=-9.5!,f=-10!) USER MOD Single : A 21 LYS NZ :NH3+ 152:sc= -0.628 (180deg=-2.01!) USER MOD Single : A 29 ASN : amide:sc= -0.576 X(o=-0.58,f=-1) USER MOD Single : A 39 ASN : amide:sc= -0.577 K(o=-0.58,f=-0.014) USER MOD Single : A 45 HIS : no HD1:sc= -5.98! K(o=-6!,f=-2.5) USER MOD Single : A 48 MET CE :methyl -109:sc= -6.15! (180deg=-7.19!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 53 SER OG : rot 180:sc= -0.35 USER MOD Single : A 56 LYS NZ :NH3+ -108:sc= -6.07! (180deg=-11!) USER MOD Single : A 58 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.67) USER MOD Single : A 60 MET CE :methyl -166:sc= 0 (180deg=-0.137) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0269 K(o=-0.027,f=-0.7) USER MOD Single : A 73 ASN : amide:sc= -0.0712 K(o=-0.071,f=-1.4) USER MOD Single : A 76 GLN : amide:sc= -0.0731 K(o=-0.073,f=-0.97) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 83 HIS : no HD1:sc= -0.517 X(o=-0.52,f=-0.51) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -2.35 K(o=-2.3,f=-0.78!) USER MOD Single : A 88 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.027) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HE2:sc= 0.345 K(o=0.34,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 41 N GLY A 3 -0.326 -16.425 4.968 1.00 0.00 N ATOM 42 CA GLY A 3 -1.338 -15.501 5.446 1.00 0.00 C ATOM 43 C GLY A 3 -0.770 -14.451 6.377 1.00 0.00 C ATOM 44 O GLY A 3 -1.222 -13.306 6.377 1.00 0.00 O ATOM 0 HA2 GLY A 3 -1.809 -15.010 4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.118 -16.058 5.965 1.00 0.00 H new ATOM 48 N LYS A 4 0.224 -14.835 7.172 1.00 0.00 N ATOM 49 CA LYS A 4 0.849 -13.904 8.104 1.00 0.00 C ATOM 50 C LYS A 4 1.457 -12.728 7.368 1.00 0.00 C ATOM 51 O LYS A 4 1.711 -11.683 7.966 1.00 0.00 O ATOM 52 CB LYS A 4 1.915 -14.603 8.945 1.00 0.00 C ATOM 53 CG LYS A 4 2.381 -13.783 10.137 1.00 0.00 C ATOM 54 CD LYS A 4 1.305 -13.690 11.205 1.00 0.00 C ATOM 55 CE LYS A 4 1.562 -12.533 12.158 1.00 0.00 C ATOM 56 NZ LYS A 4 2.082 -13.002 13.473 1.00 0.00 N ATOM 0 H LYS A 4 0.612 -15.778 7.190 1.00 0.00 H new ATOM 0 HA LYS A 4 0.071 -13.533 8.771 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.520 -15.554 9.301 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.773 -14.831 8.313 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.278 -14.234 10.561 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.654 -12.781 9.806 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.331 -13.563 10.732 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.267 -14.623 11.767 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.278 -11.845 11.709 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.638 -11.976 12.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.244 -12.184 14.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.388 -13.639 13.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.977 -13.511 13.331 1.00 0.00 H new ATOM 70 N LEU A 5 1.659 -12.878 6.061 1.00 0.00 N ATOM 71 CA LEU A 5 2.198 -11.789 5.266 1.00 0.00 C ATOM 72 C LEU A 5 1.412 -10.518 5.563 1.00 0.00 C ATOM 73 O LEU A 5 1.922 -9.406 5.421 1.00 0.00 O ATOM 74 CB LEU A 5 2.119 -12.120 3.774 1.00 0.00 C ATOM 75 CG LEU A 5 3.265 -11.561 2.926 1.00 0.00 C ATOM 76 CD1 LEU A 5 3.528 -10.106 3.283 1.00 0.00 C ATOM 77 CD2 LEU A 5 4.524 -12.393 3.113 1.00 0.00 C ATOM 0 H LEU A 5 1.459 -13.732 5.540 1.00 0.00 H new ATOM 0 HA LEU A 5 3.246 -11.642 5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.096 -13.204 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.177 -11.738 3.382 1.00 0.00 H new ATOM 0 HG LEU A 5 2.974 -11.612 1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.345 -9.723 2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.629 -9.518 3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.798 -10.033 4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.327 -11.980 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.820 -12.375 4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.329 -13.421 2.809 1.00 0.00 H new ATOM 89 N ASN A 6 0.160 -10.701 5.996 1.00 0.00 N ATOM 90 CA ASN A 6 -0.699 -9.583 6.335 1.00 0.00 C ATOM 91 C ASN A 6 -0.081 -8.742 7.444 1.00 0.00 C ATOM 92 O ASN A 6 -0.120 -7.513 7.398 1.00 0.00 O ATOM 93 CB ASN A 6 -2.082 -10.071 6.757 1.00 0.00 C ATOM 94 CG ASN A 6 -2.024 -11.058 7.906 1.00 0.00 C ATOM 95 OD1 ASN A 6 -0.973 -11.628 8.198 1.00 0.00 O ATOM 96 ND2 ASN A 6 -3.159 -11.265 8.564 1.00 0.00 N ATOM 0 H ASN A 6 -0.273 -11.617 6.117 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.805 -8.962 5.446 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.692 -9.216 7.047 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.574 -10.539 5.905 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.183 -11.919 9.346 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.007 -10.770 8.287 1.00 0.00 H new ATOM 103 N ASP A 7 0.503 -9.410 8.437 1.00 0.00 N ATOM 104 CA ASP A 7 1.143 -8.710 9.547 1.00 0.00 C ATOM 105 C ASP A 7 2.100 -7.651 9.013 1.00 0.00 C ATOM 106 O ASP A 7 2.294 -6.601 9.624 1.00 0.00 O ATOM 107 CB ASP A 7 1.895 -9.700 10.439 1.00 0.00 C ATOM 108 CG ASP A 7 2.342 -9.077 11.746 1.00 0.00 C ATOM 109 OD1 ASP A 7 1.724 -8.079 12.171 1.00 0.00 O ATOM 110 OD2 ASP A 7 3.311 -9.589 12.347 1.00 0.00 O ATOM 0 H ASP A 7 0.546 -10.427 8.495 1.00 0.00 H new ATOM 0 HA ASP A 7 0.373 -8.222 10.144 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.253 -10.556 10.649 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.766 -10.078 9.903 1.00 0.00 H new ATOM 115 N LEU A 8 2.680 -7.936 7.852 1.00 0.00 N ATOM 116 CA LEU A 8 3.601 -7.014 7.206 1.00 0.00 C ATOM 117 C LEU A 8 2.825 -5.977 6.406 1.00 0.00 C ATOM 118 O LEU A 8 3.267 -4.839 6.250 1.00 0.00 O ATOM 119 CB LEU A 8 4.558 -7.777 6.284 1.00 0.00 C ATOM 120 CG LEU A 8 5.545 -6.911 5.494 1.00 0.00 C ATOM 121 CD1 LEU A 8 4.853 -6.225 4.325 1.00 0.00 C ATOM 122 CD2 LEU A 8 6.209 -5.886 6.403 1.00 0.00 C ATOM 0 H LEU A 8 2.526 -8.804 7.338 1.00 0.00 H new ATOM 0 HA LEU A 8 4.184 -6.507 7.975 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.126 -8.487 6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.967 -8.359 5.577 1.00 0.00 H new ATOM 0 HG LEU A 8 6.319 -7.564 5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.575 -5.617 3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.436 -6.978 3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.051 -5.588 4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.906 -5.282 5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.447 -5.241 6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.750 -6.400 7.197 1.00 0.00 H new ATOM 134 N LEU A 9 1.661 -6.381 5.899 1.00 0.00 N ATOM 135 CA LEU A 9 0.823 -5.486 5.117 1.00 0.00 C ATOM 136 C LEU A 9 0.402 -4.280 5.952 1.00 0.00 C ATOM 137 O LEU A 9 0.413 -3.147 5.476 1.00 0.00 O ATOM 138 CB LEU A 9 -0.417 -6.225 4.609 1.00 0.00 C ATOM 139 CG LEU A 9 -0.285 -6.826 3.210 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.446 -7.765 2.922 1.00 0.00 C ATOM 141 CD2 LEU A 9 -0.212 -5.725 2.162 1.00 0.00 C ATOM 0 H LEU A 9 1.281 -7.320 6.018 1.00 0.00 H new ATOM 0 HA LEU A 9 1.402 -5.136 4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.657 -7.024 5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.260 -5.534 4.613 1.00 0.00 H new ATOM 0 HG LEU A 9 0.640 -7.402 3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.336 -8.184 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.452 -8.572 3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.384 -7.213 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.118 -6.171 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.119 -5.122 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.654 -5.092 2.359 1.00 0.00 H new ATOM 153 N GLU A 10 0.029 -4.538 7.205 1.00 0.00 N ATOM 154 CA GLU A 10 -0.402 -3.482 8.119 1.00 0.00 C ATOM 155 C GLU A 10 0.535 -2.278 8.064 1.00 0.00 C ATOM 156 O GLU A 10 0.090 -1.131 8.103 1.00 0.00 O ATOM 157 CB GLU A 10 -0.475 -4.018 9.550 1.00 0.00 C ATOM 158 CG GLU A 10 -1.249 -3.118 10.498 1.00 0.00 C ATOM 159 CD GLU A 10 -0.740 -3.197 11.924 1.00 0.00 C ATOM 160 OE1 GLU A 10 0.493 -3.157 12.116 1.00 0.00 O ATOM 161 OE2 GLU A 10 -1.574 -3.297 12.848 1.00 0.00 O ATOM 0 H GLU A 10 0.017 -5.474 7.611 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.393 -3.155 7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.941 -5.003 9.537 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.537 -4.149 9.932 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.183 -2.087 10.149 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.303 -3.395 10.477 1.00 0.00 H new ATOM 168 N ASP A 11 1.833 -2.548 7.974 1.00 0.00 N ATOM 169 CA ASP A 11 2.832 -1.483 7.914 1.00 0.00 C ATOM 170 C ASP A 11 2.528 -0.512 6.777 1.00 0.00 C ATOM 171 O ASP A 11 2.625 0.703 6.942 1.00 0.00 O ATOM 172 CB ASP A 11 4.230 -2.078 7.732 1.00 0.00 C ATOM 173 CG ASP A 11 4.889 -2.421 9.053 1.00 0.00 C ATOM 174 OD1 ASP A 11 4.929 -1.544 9.942 1.00 0.00 O ATOM 175 OD2 ASP A 11 5.368 -3.566 9.199 1.00 0.00 O ATOM 0 H ASP A 11 2.219 -3.492 7.941 1.00 0.00 H new ATOM 0 HA ASP A 11 2.797 -0.933 8.855 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.162 -2.977 7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.856 -1.369 7.190 1.00 0.00 H new ATOM 180 N LEU A 12 2.157 -1.062 5.625 1.00 0.00 N ATOM 181 CA LEU A 12 1.832 -0.260 4.456 1.00 0.00 C ATOM 182 C LEU A 12 0.725 0.731 4.780 1.00 0.00 C ATOM 183 O LEU A 12 0.922 1.941 4.723 1.00 0.00 O ATOM 184 CB LEU A 12 1.423 -1.179 3.282 1.00 0.00 C ATOM 185 CG LEU A 12 0.100 -0.839 2.562 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.272 -0.905 1.053 1.00 0.00 C ATOM 187 CD2 LEU A 12 -1.014 -1.779 3.005 1.00 0.00 C ATOM 0 H LEU A 12 2.074 -2.068 5.478 1.00 0.00 H new ATOM 0 HA LEU A 12 2.715 0.307 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.225 -1.165 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.353 -2.200 3.658 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.176 0.180 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.673 -0.662 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.034 -0.190 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.579 -1.911 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.936 -1.521 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.739 -2.807 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.165 -1.683 4.080 1.00 0.00 H new ATOM 199 N GLN A 13 -0.442 0.201 5.113 1.00 0.00 N ATOM 200 CA GLN A 13 -1.595 1.031 5.430 1.00 0.00 C ATOM 201 C GLN A 13 -1.255 2.069 6.495 1.00 0.00 C ATOM 202 O GLN A 13 -1.713 3.209 6.431 1.00 0.00 O ATOM 203 CB GLN A 13 -2.764 0.163 5.898 1.00 0.00 C ATOM 204 CG GLN A 13 -4.125 0.800 5.667 1.00 0.00 C ATOM 205 CD GLN A 13 -4.893 1.021 6.957 1.00 0.00 C ATOM 206 OE1 GLN A 13 -5.135 2.158 7.361 1.00 0.00 O ATOM 207 NE2 GLN A 13 -5.278 -0.068 7.610 1.00 0.00 N ATOM 0 H GLN A 13 -0.616 -0.802 5.171 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.885 1.559 4.522 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.727 -0.794 5.377 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.646 -0.048 6.961 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.993 1.755 5.159 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.712 0.164 5.004 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.055 -0.991 7.238 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.797 0.018 8.484 1.00 0.00 H new ATOM 216 N GLU A 14 -0.437 1.672 7.464 1.00 0.00 N ATOM 217 CA GLU A 14 -0.028 2.579 8.527 1.00 0.00 C ATOM 218 C GLU A 14 1.002 3.562 8.001 1.00 0.00 C ATOM 219 O GLU A 14 1.122 4.680 8.501 1.00 0.00 O ATOM 220 CB GLU A 14 0.544 1.797 9.711 1.00 0.00 C ATOM 221 CG GLU A 14 0.629 2.610 10.993 1.00 0.00 C ATOM 222 CD GLU A 14 -0.633 2.513 11.829 1.00 0.00 C ATOM 223 OE1 GLU A 14 -1.678 3.035 11.387 1.00 0.00 O ATOM 224 OE2 GLU A 14 -0.575 1.918 12.925 1.00 0.00 O ATOM 0 H GLU A 14 -0.046 0.732 7.534 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.903 3.131 8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.076 0.918 9.888 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.540 1.438 9.452 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.478 2.265 11.582 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.817 3.655 10.745 1.00 0.00 H new ATOM 231 N VAL A 15 1.733 3.144 6.976 1.00 0.00 N ATOM 232 CA VAL A 15 2.733 4.000 6.375 1.00 0.00 C ATOM 233 C VAL A 15 2.062 5.157 5.647 1.00 0.00 C ATOM 234 O VAL A 15 2.627 6.244 5.533 1.00 0.00 O ATOM 235 CB VAL A 15 3.668 3.204 5.428 1.00 0.00 C ATOM 236 CG1 VAL A 15 3.174 3.167 3.982 1.00 0.00 C ATOM 237 CG2 VAL A 15 5.071 3.768 5.502 1.00 0.00 C ATOM 0 H VAL A 15 1.649 2.221 6.549 1.00 0.00 H new ATOM 0 HA VAL A 15 3.357 4.407 7.170 1.00 0.00 H new ATOM 0 HB VAL A 15 3.667 2.170 5.772 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.874 2.595 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.192 2.696 3.945 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.104 4.184 3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.725 3.206 4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.059 4.815 5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.441 3.689 6.524 1.00 0.00 H new ATOM 247 N LEU A 16 0.839 4.920 5.169 1.00 0.00 N ATOM 248 CA LEU A 16 0.092 5.954 4.473 1.00 0.00 C ATOM 249 C LEU A 16 -0.288 7.072 5.437 1.00 0.00 C ATOM 250 O LEU A 16 -0.315 8.239 5.060 1.00 0.00 O ATOM 251 CB LEU A 16 -1.171 5.384 3.818 1.00 0.00 C ATOM 252 CG LEU A 16 -0.948 4.507 2.579 1.00 0.00 C ATOM 253 CD1 LEU A 16 0.226 5.000 1.743 1.00 0.00 C ATOM 254 CD2 LEU A 16 -0.734 3.067 2.998 1.00 0.00 C ATOM 0 H LEU A 16 0.353 4.027 5.253 1.00 0.00 H new ATOM 0 HA LEU A 16 0.733 6.355 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.709 4.797 4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.818 6.215 3.539 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.840 4.571 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.352 4.353 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.033 6.020 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.135 4.980 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.576 2.450 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.140 3.003 3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.612 2.711 3.537 1.00 0.00 H new ATOM 266 N LYS A 17 -0.569 6.709 6.692 1.00 0.00 N ATOM 267 CA LYS A 17 -0.938 7.693 7.712 1.00 0.00 C ATOM 268 C LYS A 17 -0.081 8.946 7.580 1.00 0.00 C ATOM 269 O LYS A 17 -0.545 10.062 7.812 1.00 0.00 O ATOM 270 CB LYS A 17 -0.779 7.095 9.113 1.00 0.00 C ATOM 271 CG LYS A 17 -1.208 8.035 10.226 1.00 0.00 C ATOM 272 CD LYS A 17 -0.427 7.777 11.506 1.00 0.00 C ATOM 273 CE LYS A 17 0.948 8.427 11.463 1.00 0.00 C ATOM 274 NZ LYS A 17 1.081 9.511 12.475 1.00 0.00 N ATOM 0 H LYS A 17 -0.548 5.745 7.024 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.983 7.966 7.562 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.365 6.178 9.177 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.264 6.818 9.265 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.059 9.067 9.909 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.274 7.911 10.418 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.986 8.163 12.358 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.318 6.703 11.656 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.713 7.671 11.639 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.126 8.835 10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.032 9.929 12.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.368 10.246 12.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.937 9.117 13.427 1.00 0.00 H new ATOM 288 N ASN A 18 1.168 8.746 7.177 1.00 0.00 N ATOM 289 CA ASN A 18 2.097 9.853 6.979 1.00 0.00 C ATOM 290 C ASN A 18 1.853 10.499 5.618 1.00 0.00 C ATOM 291 O ASN A 18 1.864 11.723 5.484 1.00 0.00 O ATOM 292 CB ASN A 18 3.542 9.356 7.069 1.00 0.00 C ATOM 293 CG ASN A 18 4.229 9.801 8.346 1.00 0.00 C ATOM 294 OD1 ASN A 18 4.356 10.996 8.613 1.00 0.00 O ATOM 295 ND2 ASN A 18 4.677 8.837 9.143 1.00 0.00 N ATOM 0 H ASN A 18 1.562 7.826 6.980 1.00 0.00 H new ATOM 0 HA ASN A 18 1.932 10.594 7.761 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.553 8.267 7.014 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.104 9.724 6.210 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.148 9.075 10.016 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.550 7.859 8.882 1.00 0.00 H new ATOM 302 N LEU A 19 1.625 9.657 4.616 1.00 0.00 N ATOM 303 CA LEU A 19 1.368 10.115 3.255 1.00 0.00 C ATOM 304 C LEU A 19 0.254 11.163 3.227 1.00 0.00 C ATOM 305 O LEU A 19 0.236 12.040 2.364 1.00 0.00 O ATOM 306 CB LEU A 19 1.022 8.904 2.368 1.00 0.00 C ATOM 307 CG LEU A 19 -0.270 8.999 1.546 1.00 0.00 C ATOM 308 CD1 LEU A 19 -0.356 7.870 0.531 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.484 8.959 2.444 1.00 0.00 C ATOM 0 H LEU A 19 1.613 8.643 4.723 1.00 0.00 H new ATOM 0 HA LEU A 19 2.265 10.594 2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.851 8.738 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.955 8.023 3.006 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.249 9.951 1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.281 7.962 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.495 7.926 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.343 6.912 1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.387 9.028 1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.492 8.023 3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.449 9.797 3.140 1.00 0.00 H new ATOM 321 N HIS A 20 -0.674 11.061 4.173 1.00 0.00 N ATOM 322 CA HIS A 20 -1.792 11.997 4.251 1.00 0.00 C ATOM 323 C HIS A 20 -1.295 13.415 4.495 1.00 0.00 C ATOM 324 O HIS A 20 -1.853 14.381 3.975 1.00 0.00 O ATOM 325 CB HIS A 20 -2.749 11.599 5.381 1.00 0.00 C ATOM 326 CG HIS A 20 -3.521 10.338 5.137 1.00 0.00 C ATOM 327 ND1 HIS A 20 -4.812 10.330 4.653 1.00 0.00 N ATOM 328 CD2 HIS A 20 -3.192 9.042 5.344 1.00 0.00 C ATOM 329 CE1 HIS A 20 -5.244 9.083 4.576 1.00 0.00 C ATOM 330 NE2 HIS A 20 -4.279 8.284 4.988 1.00 0.00 N ATOM 0 H HIS A 20 -0.675 10.341 4.896 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.320 11.962 3.298 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.175 11.485 6.301 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.454 12.414 5.545 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.249 8.673 5.720 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.220 8.772 4.234 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.332 7.266 5.035 1.00 0.00 H new ATOM 339 N LYS A 21 -0.255 13.530 5.308 1.00 0.00 N ATOM 340 CA LYS A 21 0.312 14.828 5.654 1.00 0.00 C ATOM 341 C LYS A 21 1.481 15.200 4.751 1.00 0.00 C ATOM 342 O LYS A 21 2.270 16.081 5.092 1.00 0.00 O ATOM 343 CB LYS A 21 0.784 14.821 7.109 1.00 0.00 C ATOM 344 CG LYS A 21 -0.067 13.957 8.022 1.00 0.00 C ATOM 345 CD LYS A 21 -1.419 14.604 8.296 1.00 0.00 C ATOM 346 CE LYS A 21 -2.387 14.404 7.138 1.00 0.00 C ATOM 347 NZ LYS A 21 -3.802 14.590 7.562 1.00 0.00 N ATOM 0 H LYS A 21 0.216 12.737 5.743 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.473 15.571 5.516 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.815 14.468 7.146 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.784 15.843 7.487 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.216 12.979 7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.457 13.793 8.963 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.847 14.181 9.205 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.282 15.670 8.475 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.151 15.109 6.341 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.259 13.403 6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.367 14.916 6.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.182 13.686 7.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.846 15.298 8.322 1.00 0.00 H new ATOM 361 N ASN A 22 1.611 14.529 3.612 1.00 0.00 N ATOM 362 CA ASN A 22 2.720 14.822 2.714 1.00 0.00 C ATOM 363 C ASN A 22 2.356 14.680 1.235 1.00 0.00 C ATOM 364 O ASN A 22 3.051 15.232 0.382 1.00 0.00 O ATOM 365 CB ASN A 22 3.908 13.924 3.048 1.00 0.00 C ATOM 366 CG ASN A 22 4.402 14.141 4.464 1.00 0.00 C ATOM 367 OD1 ASN A 22 5.418 14.800 4.687 1.00 0.00 O ATOM 368 ND2 ASN A 22 3.686 13.585 5.434 1.00 0.00 N ATOM 0 H ASN A 22 0.978 13.795 3.294 1.00 0.00 H new ATOM 0 HA ASN A 22 2.982 15.868 2.870 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.621 12.880 2.920 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.719 14.120 2.347 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.972 13.696 6.407 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.850 13.046 5.206 1.00 0.00 H new ATOM 375 N TRP A 23 1.290 13.948 0.914 1.00 0.00 N ATOM 376 CA TRP A 23 0.920 13.785 -0.488 1.00 0.00 C ATOM 377 C TRP A 23 0.535 15.120 -1.108 1.00 0.00 C ATOM 378 O TRP A 23 0.675 15.306 -2.309 1.00 0.00 O ATOM 379 CB TRP A 23 -0.211 12.770 -0.673 1.00 0.00 C ATOM 380 CG TRP A 23 -1.562 13.371 -0.825 1.00 0.00 C ATOM 381 CD1 TRP A 23 -2.527 13.403 0.110 1.00 0.00 C ATOM 382 CD2 TRP A 23 -2.095 14.002 -1.987 1.00 0.00 C ATOM 383 NE1 TRP A 23 -3.641 14.040 -0.370 1.00 0.00 N ATOM 384 CE2 TRP A 23 -3.401 14.415 -1.671 1.00 0.00 C ATOM 385 CE3 TRP A 23 -1.590 14.263 -3.260 1.00 0.00 C ATOM 386 CZ2 TRP A 23 -4.211 15.076 -2.589 1.00 0.00 C ATOM 387 CZ3 TRP A 23 -2.394 14.918 -4.172 1.00 0.00 C ATOM 388 CH2 TRP A 23 -3.693 15.318 -3.834 1.00 0.00 C ATOM 0 H TRP A 23 0.685 13.472 1.583 1.00 0.00 H new ATOM 0 HA TRP A 23 1.799 13.397 -1.003 1.00 0.00 H new ATOM 0 HB2 TRP A 23 0.003 12.163 -1.553 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -0.221 12.097 0.184 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -2.437 12.985 1.102 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -4.503 14.208 0.150 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -0.589 13.959 -3.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.212 15.387 -2.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -2.015 15.125 -5.162 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.298 15.827 -4.569 1.00 0.00 H new ATOM 399 N HIS A 24 0.044 16.039 -0.287 1.00 0.00 N ATOM 400 CA HIS A 24 -0.365 17.353 -0.770 1.00 0.00 C ATOM 401 C HIS A 24 -0.863 18.217 0.381 1.00 0.00 C ATOM 402 O HIS A 24 -0.396 19.339 0.577 1.00 0.00 O ATOM 403 CB HIS A 24 -1.465 17.213 -1.825 1.00 0.00 C ATOM 404 CG HIS A 24 -1.933 18.522 -2.380 1.00 0.00 C ATOM 405 ND1 HIS A 24 -1.143 19.330 -3.169 1.00 0.00 N ATOM 406 CD2 HIS A 24 -3.120 19.162 -2.259 1.00 0.00 C ATOM 407 CE1 HIS A 24 -1.823 20.412 -3.508 1.00 0.00 C ATOM 408 NE2 HIS A 24 -3.026 20.333 -2.969 1.00 0.00 N ATOM 0 H HIS A 24 -0.081 15.900 0.716 1.00 0.00 H new ATOM 0 HA HIS A 24 0.503 17.835 -1.221 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.097 16.592 -2.642 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.314 16.690 -1.385 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -0.183 19.125 -3.448 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.981 18.816 -1.706 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.457 21.222 -4.121 1.00 0.00 H new ATOM 417 N GLY A 25 -1.812 17.685 1.139 1.00 0.00 N ATOM 418 CA GLY A 25 -2.358 18.419 2.263 1.00 0.00 C ATOM 419 C GLY A 25 -3.848 18.220 2.427 1.00 0.00 C ATOM 420 O GLY A 25 -4.618 18.418 1.488 1.00 0.00 O ATOM 0 H GLY A 25 -2.213 16.758 0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.852 18.105 3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.150 19.481 2.132 1.00 0.00 H new ATOM 424 N GLY A 26 -4.250 17.827 3.628 1.00 0.00 N ATOM 425 CA GLY A 26 -5.652 17.606 3.903 1.00 0.00 C ATOM 426 C GLY A 26 -6.065 16.176 3.639 1.00 0.00 C ATOM 427 O GLY A 26 -6.395 15.817 2.509 1.00 0.00 O ATOM 0 H GLY A 26 -3.627 17.657 4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.861 17.857 4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.252 18.276 3.287 1.00 0.00 H new ATOM 431 N LYS A 27 -6.051 15.356 4.686 1.00 0.00 N ATOM 432 CA LYS A 27 -6.432 13.954 4.562 1.00 0.00 C ATOM 433 C LYS A 27 -7.745 13.820 3.792 1.00 0.00 C ATOM 434 O LYS A 27 -7.997 12.801 3.151 1.00 0.00 O ATOM 435 CB LYS A 27 -6.552 13.313 5.948 1.00 0.00 C ATOM 436 CG LYS A 27 -7.123 11.902 5.931 1.00 0.00 C ATOM 437 CD LYS A 27 -8.381 11.797 6.779 1.00 0.00 C ATOM 438 CE LYS A 27 -9.264 10.644 6.328 1.00 0.00 C ATOM 439 NZ LYS A 27 -8.995 9.402 7.103 1.00 0.00 N ATOM 0 H LYS A 27 -5.780 15.638 5.628 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.655 13.431 4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.566 13.289 6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.184 13.942 6.574 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.350 11.613 4.905 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.374 11.201 6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.105 11.658 7.824 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.941 12.730 6.718 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.312 10.923 6.442 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.098 10.453 5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.617 8.640 6.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.002 9.121 6.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.178 9.576 8.112 1.00 0.00 H new ATOM 453 N ASP A 28 -8.571 14.862 3.849 1.00 0.00 N ATOM 454 CA ASP A 28 -9.845 14.864 3.143 1.00 0.00 C ATOM 455 C ASP A 28 -9.637 14.548 1.666 1.00 0.00 C ATOM 456 O ASP A 28 -10.488 13.929 1.027 1.00 0.00 O ATOM 457 CB ASP A 28 -10.538 16.219 3.297 1.00 0.00 C ATOM 458 CG ASP A 28 -9.721 17.356 2.716 1.00 0.00 C ATOM 459 OD1 ASP A 28 -8.880 17.918 3.450 1.00 0.00 O ATOM 460 OD2 ASP A 28 -9.921 17.685 1.527 1.00 0.00 O ATOM 0 H ASP A 28 -8.379 15.714 4.377 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.480 14.093 3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.510 16.185 2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.723 16.411 4.354 1.00 0.00 H new ATOM 465 N ASN A 29 -8.492 14.968 1.129 1.00 0.00 N ATOM 466 CA ASN A 29 -8.173 14.715 -0.271 1.00 0.00 C ATOM 467 C ASN A 29 -7.516 13.347 -0.426 1.00 0.00 C ATOM 468 O ASN A 29 -7.836 12.591 -1.343 1.00 0.00 O ATOM 469 CB ASN A 29 -7.253 15.809 -0.812 1.00 0.00 C ATOM 470 CG ASN A 29 -7.547 16.147 -2.261 1.00 0.00 C ATOM 471 OD1 ASN A 29 -7.308 15.340 -3.159 1.00 0.00 O ATOM 472 ND2 ASN A 29 -8.071 17.344 -2.495 1.00 0.00 N ATOM 0 H ASN A 29 -7.775 15.482 1.641 1.00 0.00 H new ATOM 0 HA ASN A 29 -9.099 14.723 -0.845 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -7.363 16.706 -0.203 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -6.216 15.486 -0.720 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -8.292 17.626 -3.450 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -8.253 17.982 -1.720 1.00 0.00 H new ATOM 479 N LEU A 30 -6.607 13.034 0.491 1.00 0.00 N ATOM 480 CA LEU A 30 -5.911 11.754 0.483 1.00 0.00 C ATOM 481 C LEU A 30 -6.915 10.617 0.661 1.00 0.00 C ATOM 482 O LEU A 30 -6.766 9.539 0.087 1.00 0.00 O ATOM 483 CB LEU A 30 -4.872 11.733 1.613 1.00 0.00 C ATOM 484 CG LEU A 30 -3.891 10.549 1.632 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.630 9.230 1.719 1.00 0.00 C ATOM 486 CD2 LEU A 30 -2.958 10.565 0.422 1.00 0.00 C ATOM 0 H LEU A 30 -6.334 13.654 1.254 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.401 11.620 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.292 12.654 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.404 11.748 2.564 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.275 10.657 2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.911 8.410 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.224 9.205 2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.288 9.124 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.281 9.712 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.548 10.506 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.379 11.488 0.421 1.00 0.00 H new ATOM 498 N HIS A 31 -7.939 10.867 1.470 1.00 0.00 N ATOM 499 CA HIS A 31 -8.971 9.871 1.739 1.00 0.00 C ATOM 500 C HIS A 31 -9.456 9.211 0.453 1.00 0.00 C ATOM 501 O HIS A 31 -9.779 8.026 0.439 1.00 0.00 O ATOM 502 CB HIS A 31 -10.150 10.517 2.469 1.00 0.00 C ATOM 503 CG HIS A 31 -11.038 9.529 3.158 1.00 0.00 C ATOM 504 ND1 HIS A 31 -10.605 8.713 4.181 1.00 0.00 N ATOM 505 CD2 HIS A 31 -12.345 9.228 2.968 1.00 0.00 C ATOM 506 CE1 HIS A 31 -11.606 7.952 4.589 1.00 0.00 C ATOM 507 NE2 HIS A 31 -12.672 8.245 3.870 1.00 0.00 N ATOM 0 H HIS A 31 -8.077 11.755 1.953 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.533 9.099 2.372 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.768 11.225 3.204 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.741 11.088 1.754 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -13.007 9.677 2.242 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.559 7.215 5.377 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.590 7.812 3.968 1.00 0.00 H new ATOM 516 N ASP A 32 -9.513 9.985 -0.625 1.00 0.00 N ATOM 517 CA ASP A 32 -9.968 9.467 -1.910 1.00 0.00 C ATOM 518 C ASP A 32 -8.894 8.623 -2.590 1.00 0.00 C ATOM 519 O ASP A 32 -9.201 7.769 -3.421 1.00 0.00 O ATOM 520 CB ASP A 32 -10.387 10.619 -2.828 1.00 0.00 C ATOM 521 CG ASP A 32 -11.699 10.348 -3.535 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.714 10.125 -2.841 1.00 0.00 O ATOM 523 OD2 ASP A 32 -11.714 10.360 -4.784 1.00 0.00 O ATOM 0 H ASP A 32 -9.251 10.971 -0.635 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.828 8.825 -1.720 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.476 11.533 -2.241 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.607 10.791 -3.570 1.00 0.00 H new ATOM 528 N VAL A 33 -7.637 8.866 -2.240 1.00 0.00 N ATOM 529 CA VAL A 33 -6.532 8.124 -2.832 1.00 0.00 C ATOM 530 C VAL A 33 -6.178 6.892 -2.001 1.00 0.00 C ATOM 531 O VAL A 33 -6.035 5.798 -2.544 1.00 0.00 O ATOM 532 CB VAL A 33 -5.298 9.033 -3.025 1.00 0.00 C ATOM 533 CG1 VAL A 33 -4.494 9.195 -1.743 1.00 0.00 C ATOM 534 CG2 VAL A 33 -4.412 8.522 -4.148 1.00 0.00 C ATOM 0 H VAL A 33 -7.359 9.567 -1.553 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.855 7.778 -3.814 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.675 10.018 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.637 9.842 -1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.124 9.640 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.145 8.219 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.551 9.181 -4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.069 7.515 -3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.979 8.503 -5.079 1.00 0.00 H new ATOM 544 N ASP A 34 -6.056 7.062 -0.686 1.00 0.00 N ATOM 545 CA ASP A 34 -5.738 5.937 0.186 1.00 0.00 C ATOM 546 C ASP A 34 -6.940 5.004 0.297 1.00 0.00 C ATOM 547 O ASP A 34 -6.782 3.814 0.565 1.00 0.00 O ATOM 548 CB ASP A 34 -5.280 6.413 1.570 1.00 0.00 C ATOM 549 CG ASP A 34 -5.303 5.309 2.612 1.00 0.00 C ATOM 550 OD1 ASP A 34 -4.481 4.374 2.504 1.00 0.00 O ATOM 551 OD2 ASP A 34 -6.143 5.379 3.533 1.00 0.00 O ATOM 0 H ASP A 34 -6.171 7.955 -0.207 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.908 5.386 -0.257 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.269 6.814 1.495 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.923 7.230 1.899 1.00 0.00 H new ATOM 556 N ASN A 35 -8.144 5.535 0.059 1.00 0.00 N ATOM 557 CA ASN A 35 -9.344 4.708 0.104 1.00 0.00 C ATOM 558 C ASN A 35 -9.159 3.520 -0.832 1.00 0.00 C ATOM 559 O ASN A 35 -9.672 2.427 -0.590 1.00 0.00 O ATOM 560 CB ASN A 35 -10.581 5.522 -0.298 1.00 0.00 C ATOM 561 CG ASN A 35 -11.789 4.652 -0.597 1.00 0.00 C ATOM 562 OD1 ASN A 35 -11.869 3.507 -0.151 1.00 0.00 O ATOM 563 ND2 ASN A 35 -12.736 5.193 -1.354 1.00 0.00 N ATOM 0 H ASN A 35 -8.308 6.517 -0.163 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.499 4.351 1.122 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.829 6.216 0.505 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.345 6.122 -1.177 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.571 4.656 -1.587 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.628 6.146 -1.702 1.00 0.00 H new ATOM 570 N HIS A 36 -8.389 3.751 -1.891 1.00 0.00 N ATOM 571 CA HIS A 36 -8.083 2.721 -2.868 1.00 0.00 C ATOM 572 C HIS A 36 -7.179 1.668 -2.243 1.00 0.00 C ATOM 573 O HIS A 36 -7.251 0.487 -2.578 1.00 0.00 O ATOM 574 CB HIS A 36 -7.400 3.352 -4.087 1.00 0.00 C ATOM 575 CG HIS A 36 -8.111 3.091 -5.379 1.00 0.00 C ATOM 576 ND1 HIS A 36 -8.919 1.992 -5.586 1.00 0.00 N ATOM 577 CD2 HIS A 36 -8.133 3.794 -6.536 1.00 0.00 C ATOM 578 CE1 HIS A 36 -9.405 2.031 -6.814 1.00 0.00 C ATOM 579 NE2 HIS A 36 -8.944 3.114 -7.411 1.00 0.00 N ATOM 0 H HIS A 36 -7.963 4.656 -2.092 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.008 2.242 -3.190 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.327 4.429 -3.934 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.382 2.970 -4.160 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.610 4.718 -6.734 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.067 1.300 -7.255 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -9.156 3.400 -8.367 1.00 0.00 H new ATOM 588 N LEU A 37 -6.337 2.116 -1.321 1.00 0.00 N ATOM 589 CA LEU A 37 -5.416 1.236 -0.621 1.00 0.00 C ATOM 590 C LEU A 37 -6.157 0.414 0.424 1.00 0.00 C ATOM 591 O LEU A 37 -6.231 -0.810 0.332 1.00 0.00 O ATOM 592 CB LEU A 37 -4.324 2.062 0.056 1.00 0.00 C ATOM 593 CG LEU A 37 -3.045 1.308 0.441 1.00 0.00 C ATOM 594 CD1 LEU A 37 -3.252 -0.202 0.431 1.00 0.00 C ATOM 595 CD2 LEU A 37 -1.910 1.696 -0.492 1.00 0.00 C ATOM 0 H LEU A 37 -6.275 3.094 -1.040 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.963 0.559 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.052 2.881 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.742 2.510 0.958 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.784 1.593 1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.322 -0.699 0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.032 -0.467 1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.549 -0.522 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.006 1.155 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.179 1.443 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.729 2.768 -0.418 1.00 0.00 H new ATOM 607 N GLN A 38 -6.701 1.102 1.423 1.00 0.00 N ATOM 608 CA GLN A 38 -7.439 0.446 2.498 1.00 0.00 C ATOM 609 C GLN A 38 -8.439 -0.568 1.946 1.00 0.00 C ATOM 610 O GLN A 38 -8.756 -1.557 2.605 1.00 0.00 O ATOM 611 CB GLN A 38 -8.167 1.484 3.355 1.00 0.00 C ATOM 612 CG GLN A 38 -9.037 2.434 2.553 1.00 0.00 C ATOM 613 CD GLN A 38 -10.326 2.790 3.269 1.00 0.00 C ATOM 614 OE1 GLN A 38 -10.307 3.309 4.386 1.00 0.00 O ATOM 615 NE2 GLN A 38 -11.454 2.512 2.627 1.00 0.00 N ATOM 0 H GLN A 38 -6.645 2.117 1.511 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.719 -0.088 3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.788 0.967 4.087 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.431 2.063 3.913 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.477 3.346 2.346 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.274 1.980 1.591 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.422 2.082 1.703 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.353 2.729 3.058 1.00 0.00 H new ATOM 624 N ASN A 39 -8.928 -0.326 0.730 1.00 0.00 N ATOM 625 CA ASN A 39 -9.881 -1.238 0.107 1.00 0.00 C ATOM 626 C ASN A 39 -9.166 -2.479 -0.410 1.00 0.00 C ATOM 627 O ASN A 39 -9.747 -3.562 -0.476 1.00 0.00 O ATOM 628 CB ASN A 39 -10.621 -0.542 -1.037 1.00 0.00 C ATOM 629 CG ASN A 39 -11.853 -1.306 -1.478 1.00 0.00 C ATOM 630 OD1 ASN A 39 -12.980 -0.918 -1.170 1.00 0.00 O ATOM 631 ND2 ASN A 39 -11.645 -2.399 -2.203 1.00 0.00 N ATOM 0 H ASN A 39 -8.682 0.486 0.163 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.609 -1.540 0.859 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.912 0.460 -0.721 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.946 -0.426 -1.885 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.437 -2.954 -2.528 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.693 -2.684 -2.435 1.00 0.00 H new ATOM 638 N VAL A 40 -7.896 -2.316 -0.761 1.00 0.00 N ATOM 639 CA VAL A 40 -7.094 -3.422 -1.257 1.00 0.00 C ATOM 640 C VAL A 40 -6.676 -4.335 -0.110 1.00 0.00 C ATOM 641 O VAL A 40 -6.734 -5.555 -0.229 1.00 0.00 O ATOM 642 CB VAL A 40 -5.839 -2.919 -1.997 1.00 0.00 C ATOM 643 CG1 VAL A 40 -4.936 -4.080 -2.392 1.00 0.00 C ATOM 644 CG2 VAL A 40 -6.239 -2.109 -3.220 1.00 0.00 C ATOM 0 H VAL A 40 -7.401 -1.426 -0.710 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.710 -3.982 -1.961 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.278 -2.275 -1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.058 -3.697 -2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.622 -4.617 -1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.481 -4.757 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.343 -1.760 -3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.824 -2.734 -3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.837 -1.252 -2.909 1.00 0.00 H new ATOM 654 N ILE A 41 -6.257 -3.734 1.004 1.00 0.00 N ATOM 655 CA ILE A 41 -5.832 -4.502 2.171 1.00 0.00 C ATOM 656 C ILE A 41 -6.829 -5.616 2.488 1.00 0.00 C ATOM 657 O ILE A 41 -6.447 -6.693 2.947 1.00 0.00 O ATOM 658 CB ILE A 41 -5.644 -3.594 3.409 1.00 0.00 C ATOM 659 CG1 ILE A 41 -4.684 -4.247 4.404 1.00 0.00 C ATOM 660 CG2 ILE A 41 -6.979 -3.283 4.075 1.00 0.00 C ATOM 661 CD1 ILE A 41 -3.226 -4.087 4.032 1.00 0.00 C ATOM 0 H ILE A 41 -6.203 -2.722 1.121 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.870 -4.952 1.927 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.213 -2.650 3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.848 -3.815 5.391 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.917 -5.309 4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.813 -2.643 4.942 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.629 -2.771 3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.451 -4.212 4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.603 -4.575 4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.047 -4.544 3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.976 -3.027 3.987 1.00 0.00 H new ATOM 673 N GLU A 42 -8.103 -5.353 2.221 1.00 0.00 N ATOM 674 CA GLU A 42 -9.154 -6.337 2.458 1.00 0.00 C ATOM 675 C GLU A 42 -9.119 -7.405 1.383 1.00 0.00 C ATOM 676 O GLU A 42 -9.448 -8.564 1.628 1.00 0.00 O ATOM 677 CB GLU A 42 -10.524 -5.656 2.491 1.00 0.00 C ATOM 678 CG GLU A 42 -10.544 -4.382 3.318 1.00 0.00 C ATOM 679 CD GLU A 42 -11.578 -4.420 4.426 1.00 0.00 C ATOM 680 OE1 GLU A 42 -12.665 -4.994 4.203 1.00 0.00 O ATOM 681 OE2 GLU A 42 -11.301 -3.878 5.517 1.00 0.00 O ATOM 0 H GLU A 42 -8.434 -4.466 1.840 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.981 -6.809 3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.831 -5.423 1.471 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.259 -6.353 2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.558 -4.220 3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.748 -3.533 2.665 1.00 0.00 H new ATOM 688 N ASP A 43 -8.694 -7.012 0.196 1.00 0.00 N ATOM 689 CA ASP A 43 -8.584 -7.942 -0.908 1.00 0.00 C ATOM 690 C ASP A 43 -7.267 -8.701 -0.815 1.00 0.00 C ATOM 691 O ASP A 43 -7.155 -9.815 -1.312 1.00 0.00 O ATOM 692 CB ASP A 43 -8.680 -7.207 -2.246 1.00 0.00 C ATOM 693 CG ASP A 43 -10.088 -6.734 -2.546 1.00 0.00 C ATOM 694 OD1 ASP A 43 -11.008 -7.579 -2.558 1.00 0.00 O ATOM 695 OD2 ASP A 43 -10.271 -5.519 -2.769 1.00 0.00 O ATOM 0 H ASP A 43 -8.420 -6.055 -0.026 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.409 -8.652 -0.850 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.006 -6.350 -2.236 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.344 -7.868 -3.045 1.00 0.00 H new ATOM 700 N ILE A 44 -6.275 -8.094 -0.163 1.00 0.00 N ATOM 701 CA ILE A 44 -4.972 -8.726 0.001 1.00 0.00 C ATOM 702 C ILE A 44 -4.945 -9.614 1.239 1.00 0.00 C ATOM 703 O ILE A 44 -4.581 -10.786 1.162 1.00 0.00 O ATOM 704 CB ILE A 44 -3.831 -7.690 0.105 1.00 0.00 C ATOM 705 CG1 ILE A 44 -3.983 -6.602 -0.959 1.00 0.00 C ATOM 706 CG2 ILE A 44 -2.483 -8.376 -0.039 1.00 0.00 C ATOM 707 CD1 ILE A 44 -4.103 -7.142 -2.367 1.00 0.00 C ATOM 0 H ILE A 44 -6.351 -7.168 0.258 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.812 -9.332 -0.891 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.887 -7.220 1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.866 -6.005 -0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.124 -5.933 -0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.688 -7.635 0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.365 -9.116 0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.428 -8.870 -1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.208 -6.313 -3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.209 -7.715 -2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.979 -7.788 -2.436 1.00 0.00 H new ATOM 719 N HIS A 45 -5.323 -9.047 2.379 1.00 0.00 N ATOM 720 CA HIS A 45 -5.333 -9.791 3.633 1.00 0.00 C ATOM 721 C HIS A 45 -6.351 -10.932 3.592 1.00 0.00 C ATOM 722 O HIS A 45 -6.185 -11.943 4.273 1.00 0.00 O ATOM 723 CB HIS A 45 -5.619 -8.845 4.810 1.00 0.00 C ATOM 724 CG HIS A 45 -7.052 -8.815 5.242 1.00 0.00 C ATOM 725 ND1 HIS A 45 -7.447 -8.872 6.561 1.00 0.00 N ATOM 726 CD2 HIS A 45 -8.187 -8.735 4.514 1.00 0.00 C ATOM 727 CE1 HIS A 45 -8.766 -8.830 6.626 1.00 0.00 C ATOM 728 NE2 HIS A 45 -9.240 -8.746 5.397 1.00 0.00 N ATOM 0 H HIS A 45 -5.626 -8.076 2.461 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.347 -10.234 3.774 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.002 -9.142 5.658 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.314 -7.836 4.532 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -8.254 -8.674 3.438 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -9.356 -8.859 7.530 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.227 -8.697 5.144 1.00 0.00 H new ATOM 737 N ASP A 46 -7.402 -10.767 2.792 1.00 0.00 N ATOM 738 CA ASP A 46 -8.431 -11.793 2.674 1.00 0.00 C ATOM 739 C ASP A 46 -8.046 -12.813 1.618 1.00 0.00 C ATOM 740 O ASP A 46 -8.134 -14.020 1.843 1.00 0.00 O ATOM 741 CB ASP A 46 -9.782 -11.165 2.328 1.00 0.00 C ATOM 742 CG ASP A 46 -10.924 -12.158 2.425 1.00 0.00 C ATOM 743 OD1 ASP A 46 -10.917 -12.979 3.366 1.00 0.00 O ATOM 744 OD2 ASP A 46 -11.824 -12.114 1.561 1.00 0.00 O ATOM 0 H ASP A 46 -7.562 -9.938 2.220 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.518 -12.299 3.636 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.973 -10.329 3.000 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.742 -10.759 1.317 1.00 0.00 H new ATOM 749 N PHE A 47 -7.610 -12.323 0.466 1.00 0.00 N ATOM 750 CA PHE A 47 -7.204 -13.212 -0.620 1.00 0.00 C ATOM 751 C PHE A 47 -5.954 -13.994 -0.233 1.00 0.00 C ATOM 752 O PHE A 47 -5.692 -15.067 -0.772 1.00 0.00 O ATOM 753 CB PHE A 47 -6.948 -12.435 -1.914 1.00 0.00 C ATOM 754 CG PHE A 47 -8.203 -11.982 -2.618 1.00 0.00 C ATOM 755 CD1 PHE A 47 -9.367 -11.718 -1.909 1.00 0.00 C ATOM 756 CD2 PHE A 47 -8.213 -11.820 -3.995 1.00 0.00 C ATOM 757 CE1 PHE A 47 -10.513 -11.303 -2.561 1.00 0.00 C ATOM 758 CE2 PHE A 47 -9.357 -11.405 -4.650 1.00 0.00 C ATOM 759 CZ PHE A 47 -10.507 -11.147 -3.933 1.00 0.00 C ATOM 0 H PHE A 47 -7.528 -11.328 0.258 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.024 -13.909 -0.796 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.337 -11.562 -1.686 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.369 -13.061 -2.593 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.377 -11.838 -0.836 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.316 -12.020 -4.562 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.412 -11.101 -1.998 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.351 -11.283 -5.723 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.402 -10.823 -4.444 1.00 0.00 H new ATOM 769 N MET A 48 -5.186 -13.454 0.714 1.00 0.00 N ATOM 770 CA MET A 48 -3.969 -14.114 1.179 1.00 0.00 C ATOM 771 C MET A 48 -4.263 -15.551 1.597 1.00 0.00 C ATOM 772 O MET A 48 -3.383 -16.411 1.565 1.00 0.00 O ATOM 773 CB MET A 48 -3.363 -13.345 2.356 1.00 0.00 C ATOM 774 CG MET A 48 -1.870 -13.096 2.218 1.00 0.00 C ATOM 775 SD MET A 48 -1.389 -11.440 2.740 1.00 0.00 S ATOM 776 CE MET A 48 -0.350 -10.943 1.369 1.00 0.00 C ATOM 0 H MET A 48 -5.385 -12.565 1.172 1.00 0.00 H new ATOM 0 HA MET A 48 -3.254 -14.128 0.357 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.875 -12.388 2.455 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.546 -13.901 3.275 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.327 -13.831 2.812 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.576 -13.245 1.179 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.691 -10.915 1.692 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.458 -11.658 0.553 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.650 -9.953 1.026 1.00 0.00 H new ATOM 786 N GLN A 49 -5.509 -15.801 1.991 1.00 0.00 N ATOM 787 CA GLN A 49 -5.923 -17.130 2.417 1.00 0.00 C ATOM 788 C GLN A 49 -6.462 -17.948 1.244 1.00 0.00 C ATOM 789 O GLN A 49 -7.013 -19.033 1.438 1.00 0.00 O ATOM 790 CB GLN A 49 -6.981 -17.024 3.519 1.00 0.00 C ATOM 791 CG GLN A 49 -6.461 -17.393 4.899 1.00 0.00 C ATOM 792 CD GLN A 49 -7.569 -17.521 5.926 1.00 0.00 C ATOM 793 OE1 GLN A 49 -8.618 -18.105 5.654 1.00 0.00 O ATOM 794 NE2 GLN A 49 -7.342 -16.973 7.115 1.00 0.00 N ATOM 0 H GLN A 49 -6.248 -15.099 2.023 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.047 -17.646 2.810 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.365 -16.004 3.545 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.820 -17.674 3.270 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.917 -18.336 4.838 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.750 -16.636 5.230 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.458 -16.498 7.297 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.052 -17.027 7.845 1.00 0.00 H new ATOM 803 N GLY A 50 -6.297 -17.432 0.030 1.00 0.00 N ATOM 804 CA GLY A 50 -6.768 -18.139 -1.145 1.00 0.00 C ATOM 805 C GLY A 50 -8.111 -17.637 -1.643 1.00 0.00 C ATOM 806 O GLY A 50 -8.614 -18.115 -2.660 1.00 0.00 O ATOM 0 H GLY A 50 -5.846 -16.537 -0.160 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.031 -18.039 -1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.846 -19.202 -0.915 1.00 0.00 H new ATOM 810 N GLY A 51 -8.697 -16.670 -0.937 1.00 0.00 N ATOM 811 CA GLY A 51 -9.983 -16.131 -1.350 1.00 0.00 C ATOM 812 C GLY A 51 -10.001 -15.756 -2.819 1.00 0.00 C ATOM 813 O GLY A 51 -10.976 -16.012 -3.525 1.00 0.00 O ATOM 0 H GLY A 51 -8.307 -16.253 -0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.763 -16.867 -1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.217 -15.252 -0.749 1.00 0.00 H new ATOM 817 N GLY A 52 -8.909 -15.155 -3.278 1.00 0.00 N ATOM 818 CA GLY A 52 -8.801 -14.757 -4.668 1.00 0.00 C ATOM 819 C GLY A 52 -7.369 -14.461 -5.069 1.00 0.00 C ATOM 820 O GLY A 52 -7.122 -13.705 -6.010 1.00 0.00 O ATOM 0 H GLY A 52 -8.092 -14.936 -2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.198 -15.549 -5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.415 -13.873 -4.840 1.00 0.00 H new ATOM 824 N SER A 53 -6.421 -15.058 -4.352 1.00 0.00 N ATOM 825 CA SER A 53 -5.006 -14.858 -4.630 1.00 0.00 C ATOM 826 C SER A 53 -4.642 -15.409 -6.004 1.00 0.00 C ATOM 827 O SER A 53 -5.517 -15.748 -6.801 1.00 0.00 O ATOM 828 CB SER A 53 -4.154 -15.529 -3.544 1.00 0.00 C ATOM 829 OG SER A 53 -3.621 -16.764 -3.994 1.00 0.00 O ATOM 0 H SER A 53 -6.611 -15.686 -3.571 1.00 0.00 H new ATOM 0 HA SER A 53 -4.802 -13.787 -4.627 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.340 -14.864 -3.255 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.761 -15.696 -2.654 1.00 0.00 H new ATOM 0 HG SER A 53 -3.082 -17.167 -3.282 1.00 0.00 H new ATOM 835 N GLY A 54 -3.345 -15.503 -6.271 1.00 0.00 N ATOM 836 CA GLY A 54 -2.886 -16.022 -7.543 1.00 0.00 C ATOM 837 C GLY A 54 -2.745 -14.949 -8.606 1.00 0.00 C ATOM 838 O GLY A 54 -1.649 -14.715 -9.116 1.00 0.00 O ATOM 0 H GLY A 54 -2.603 -15.228 -5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.924 -16.514 -7.402 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.585 -16.782 -7.892 1.00 0.00 H new ATOM 842 N GLY A 55 -3.854 -14.301 -8.953 1.00 0.00 N ATOM 843 CA GLY A 55 -3.815 -13.266 -9.972 1.00 0.00 C ATOM 844 C GLY A 55 -4.369 -11.933 -9.499 1.00 0.00 C ATOM 845 O GLY A 55 -4.598 -11.034 -10.307 1.00 0.00 O ATOM 0 H GLY A 55 -4.775 -14.473 -8.549 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.785 -13.127 -10.299 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.383 -13.600 -10.840 1.00 0.00 H new ATOM 849 N LYS A 56 -4.590 -11.799 -8.195 1.00 0.00 N ATOM 850 CA LYS A 56 -5.118 -10.556 -7.642 1.00 0.00 C ATOM 851 C LYS A 56 -3.996 -9.586 -7.294 1.00 0.00 C ATOM 852 O LYS A 56 -4.089 -8.392 -7.572 1.00 0.00 O ATOM 853 CB LYS A 56 -5.961 -10.842 -6.397 1.00 0.00 C ATOM 854 CG LYS A 56 -6.550 -9.592 -5.759 1.00 0.00 C ATOM 855 CD LYS A 56 -5.621 -9.000 -4.707 1.00 0.00 C ATOM 856 CE LYS A 56 -5.514 -9.891 -3.481 1.00 0.00 C ATOM 857 NZ LYS A 56 -4.406 -10.880 -3.598 1.00 0.00 N ATOM 0 H LYS A 56 -4.413 -12.530 -7.506 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.747 -10.094 -8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.772 -11.519 -6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.344 -11.359 -5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.745 -8.848 -6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.509 -9.835 -5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.630 -8.855 -5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.987 -8.017 -4.411 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.355 -9.273 -2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.456 -10.419 -3.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.803 -11.830 -3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.801 -10.630 -4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.840 -10.871 -2.726 1.00 0.00 H new ATOM 871 N LEU A 57 -2.946 -10.100 -6.667 1.00 0.00 N ATOM 872 CA LEU A 57 -1.820 -9.268 -6.260 1.00 0.00 C ATOM 873 C LEU A 57 -1.162 -8.563 -7.444 1.00 0.00 C ATOM 874 O LEU A 57 -0.370 -7.648 -7.254 1.00 0.00 O ATOM 875 CB LEU A 57 -0.775 -10.107 -5.517 1.00 0.00 C ATOM 876 CG LEU A 57 -0.537 -9.732 -4.048 1.00 0.00 C ATOM 877 CD1 LEU A 57 -0.632 -8.226 -3.840 1.00 0.00 C ATOM 878 CD2 LEU A 57 -1.523 -10.461 -3.148 1.00 0.00 C ATOM 0 H LEU A 57 -2.850 -11.087 -6.429 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.218 -8.501 -5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.079 -11.153 -5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.172 -10.028 -6.050 1.00 0.00 H new ATOM 0 HG LEU A 57 0.473 -10.041 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.459 -7.992 -2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.119 -7.726 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.624 -7.881 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.341 -10.184 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.541 -10.185 -3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.395 -11.537 -3.264 1.00 0.00 H new ATOM 890 N GLN A 58 -1.469 -8.987 -8.663 1.00 0.00 N ATOM 891 CA GLN A 58 -0.869 -8.362 -9.837 1.00 0.00 C ATOM 892 C GLN A 58 -1.658 -7.135 -10.276 1.00 0.00 C ATOM 893 O GLN A 58 -1.089 -6.062 -10.475 1.00 0.00 O ATOM 894 CB GLN A 58 -0.758 -9.363 -10.990 1.00 0.00 C ATOM 895 CG GLN A 58 -2.088 -9.959 -11.413 1.00 0.00 C ATOM 896 CD GLN A 58 -1.932 -11.034 -12.471 1.00 0.00 C ATOM 897 OE1 GLN A 58 -0.924 -11.086 -13.176 1.00 0.00 O ATOM 898 NE2 GLN A 58 -2.932 -11.899 -12.588 1.00 0.00 N ATOM 0 H GLN A 58 -2.118 -9.747 -8.865 1.00 0.00 H new ATOM 0 HA GLN A 58 0.134 -8.038 -9.560 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.304 -8.867 -11.847 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.086 -10.169 -10.696 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.587 -10.382 -10.541 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.732 -9.167 -11.796 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.749 -11.819 -11.983 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.883 -12.644 -13.283 1.00 0.00 H new ATOM 907 N GLU A 59 -2.966 -7.293 -10.426 1.00 0.00 N ATOM 908 CA GLU A 59 -3.820 -6.188 -10.840 1.00 0.00 C ATOM 909 C GLU A 59 -4.252 -5.363 -9.636 1.00 0.00 C ATOM 910 O GLU A 59 -4.480 -4.158 -9.745 1.00 0.00 O ATOM 911 CB GLU A 59 -5.049 -6.714 -11.585 1.00 0.00 C ATOM 912 CG GLU A 59 -5.943 -5.615 -12.137 1.00 0.00 C ATOM 913 CD GLU A 59 -5.910 -5.542 -13.652 1.00 0.00 C ATOM 914 OE1 GLU A 59 -5.842 -6.610 -14.296 1.00 0.00 O ATOM 915 OE2 GLU A 59 -5.951 -4.417 -14.193 1.00 0.00 O ATOM 0 H GLU A 59 -3.458 -8.173 -10.268 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.248 -5.548 -11.512 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.721 -7.351 -12.407 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.632 -7.340 -10.910 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.968 -5.786 -11.807 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.631 -4.656 -11.724 1.00 0.00 H new ATOM 922 N MET A 60 -4.358 -6.019 -8.486 1.00 0.00 N ATOM 923 CA MET A 60 -4.758 -5.342 -7.263 1.00 0.00 C ATOM 924 C MET A 60 -3.594 -4.560 -6.666 1.00 0.00 C ATOM 925 O MET A 60 -3.795 -3.519 -6.042 1.00 0.00 O ATOM 926 CB MET A 60 -5.288 -6.345 -6.239 1.00 0.00 C ATOM 927 CG MET A 60 -5.927 -5.685 -5.027 1.00 0.00 C ATOM 928 SD MET A 60 -7.718 -5.895 -4.981 1.00 0.00 S ATOM 929 CE MET A 60 -8.215 -4.843 -6.342 1.00 0.00 C ATOM 0 H MET A 60 -4.173 -7.016 -8.377 1.00 0.00 H new ATOM 0 HA MET A 60 -5.554 -4.642 -7.517 1.00 0.00 H new ATOM 0 HB2 MET A 60 -6.021 -6.992 -6.720 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.469 -6.983 -5.907 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.493 -6.104 -4.119 1.00 0.00 H new ATOM 0 HG3 MET A 60 -5.690 -4.621 -5.031 1.00 0.00 H new ATOM 0 HE1 MET A 60 -9.289 -4.667 -6.292 1.00 0.00 H new ATOM 0 HE2 MET A 60 -7.688 -3.891 -6.278 1.00 0.00 H new ATOM 0 HE3 MET A 60 -7.971 -5.330 -7.286 1.00 0.00 H new ATOM 939 N MET A 61 -2.373 -5.060 -6.856 1.00 0.00 N ATOM 940 CA MET A 61 -1.195 -4.381 -6.321 1.00 0.00 C ATOM 941 C MET A 61 -1.123 -2.947 -6.840 1.00 0.00 C ATOM 942 O MET A 61 -0.786 -2.024 -6.098 1.00 0.00 O ATOM 943 CB MET A 61 0.083 -5.145 -6.687 1.00 0.00 C ATOM 944 CG MET A 61 1.371 -4.360 -6.475 1.00 0.00 C ATOM 945 SD MET A 61 2.360 -4.219 -7.978 1.00 0.00 S ATOM 946 CE MET A 61 1.659 -2.741 -8.707 1.00 0.00 C ATOM 0 H MET A 61 -2.176 -5.920 -7.368 1.00 0.00 H new ATOM 0 HA MET A 61 -1.281 -4.354 -5.235 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.127 -6.059 -6.094 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.024 -5.446 -7.733 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.127 -3.362 -6.111 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.964 -4.846 -5.700 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.418 -2.233 -9.302 1.00 0.00 H new ATOM 0 HE2 MET A 61 0.819 -3.014 -9.346 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.312 -2.075 -7.917 1.00 0.00 H new ATOM 956 N LYS A 62 -1.445 -2.767 -8.116 1.00 0.00 N ATOM 957 CA LYS A 62 -1.420 -1.445 -8.727 1.00 0.00 C ATOM 958 C LYS A 62 -2.398 -0.503 -8.029 1.00 0.00 C ATOM 959 O LYS A 62 -2.286 0.717 -8.144 1.00 0.00 O ATOM 960 CB LYS A 62 -1.762 -1.541 -10.216 1.00 0.00 C ATOM 961 CG LYS A 62 -1.132 -0.440 -11.054 1.00 0.00 C ATOM 962 CD LYS A 62 -2.164 0.263 -11.923 1.00 0.00 C ATOM 963 CE LYS A 62 -1.896 1.757 -12.006 1.00 0.00 C ATOM 964 NZ LYS A 62 -2.654 2.396 -13.117 1.00 0.00 N ATOM 0 H LYS A 62 -1.726 -3.519 -8.746 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.413 -1.041 -8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.433 -2.509 -10.595 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.845 -1.503 -10.335 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.652 0.287 -10.399 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.352 -0.864 -11.686 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.151 -0.166 -12.925 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.161 0.093 -11.516 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.170 2.228 -11.062 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.829 1.927 -12.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.444 3.414 -13.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.375 1.964 -14.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.674 2.256 -12.967 1.00 0.00 H new ATOM 978 N GLU A 63 -3.360 -1.076 -7.308 1.00 0.00 N ATOM 979 CA GLU A 63 -4.357 -0.283 -6.600 1.00 0.00 C ATOM 980 C GLU A 63 -3.782 0.333 -5.325 1.00 0.00 C ATOM 981 O GLU A 63 -4.186 1.423 -4.922 1.00 0.00 O ATOM 982 CB GLU A 63 -5.574 -1.142 -6.256 1.00 0.00 C ATOM 983 CG GLU A 63 -6.752 -0.340 -5.728 1.00 0.00 C ATOM 984 CD GLU A 63 -8.069 -1.080 -5.861 1.00 0.00 C ATOM 985 OE1 GLU A 63 -8.590 -1.164 -6.992 1.00 0.00 O ATOM 986 OE2 GLU A 63 -8.578 -1.574 -4.833 1.00 0.00 O ATOM 0 H GLU A 63 -3.468 -2.085 -7.200 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.662 0.528 -7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.886 -1.689 -7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.286 -1.884 -5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.580 -0.097 -4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.814 0.605 -6.268 1.00 0.00 H new ATOM 993 N PHE A 64 -2.838 -0.362 -4.694 1.00 0.00 N ATOM 994 CA PHE A 64 -2.224 0.139 -3.472 1.00 0.00 C ATOM 995 C PHE A 64 -1.039 1.042 -3.802 1.00 0.00 C ATOM 996 O PHE A 64 -0.686 1.930 -3.026 1.00 0.00 O ATOM 997 CB PHE A 64 -1.815 -1.030 -2.558 1.00 0.00 C ATOM 998 CG PHE A 64 -0.522 -1.709 -2.920 1.00 0.00 C ATOM 999 CD1 PHE A 64 0.691 -1.047 -2.813 1.00 0.00 C ATOM 1000 CD2 PHE A 64 -0.526 -3.023 -3.357 1.00 0.00 C ATOM 1001 CE1 PHE A 64 1.872 -1.684 -3.139 1.00 0.00 C ATOM 1002 CE2 PHE A 64 0.651 -3.664 -3.682 1.00 0.00 C ATOM 1003 CZ PHE A 64 1.852 -2.993 -3.574 1.00 0.00 C ATOM 0 H PHE A 64 -2.485 -1.266 -5.007 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.954 0.740 -2.930 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.738 -0.660 -1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.612 -1.774 -2.569 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.713 -0.023 -2.471 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.463 -3.553 -3.444 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.811 -1.158 -3.053 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.633 -4.689 -4.020 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.775 -3.492 -3.830 1.00 0.00 H new ATOM 1013 N GLN A 65 -0.440 0.818 -4.967 1.00 0.00 N ATOM 1014 CA GLN A 65 0.690 1.619 -5.415 1.00 0.00 C ATOM 1015 C GLN A 65 0.203 2.921 -6.046 1.00 0.00 C ATOM 1016 O GLN A 65 0.878 3.947 -5.975 1.00 0.00 O ATOM 1017 CB GLN A 65 1.536 0.833 -6.419 1.00 0.00 C ATOM 1018 CG GLN A 65 2.992 1.267 -6.461 1.00 0.00 C ATOM 1019 CD GLN A 65 3.928 0.128 -6.814 1.00 0.00 C ATOM 1020 OE1 GLN A 65 4.093 -0.215 -7.985 1.00 0.00 O ATOM 1021 NE2 GLN A 65 4.546 -0.465 -5.800 1.00 0.00 N ATOM 0 H GLN A 65 -0.721 0.085 -5.619 1.00 0.00 H new ATOM 0 HA GLN A 65 1.307 1.859 -4.549 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.489 -0.227 -6.170 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.103 0.946 -7.413 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.108 2.068 -7.191 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.274 1.677 -5.491 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.379 -0.148 -4.845 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.188 -1.238 -5.976 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.979 2.871 -6.660 1.00 0.00 N ATOM 1031 CA GLN A 66 -1.561 4.049 -7.298 1.00 0.00 C ATOM 1032 C GLN A 66 -1.733 5.173 -6.283 1.00 0.00 C ATOM 1033 O GLN A 66 -1.534 6.347 -6.597 1.00 0.00 O ATOM 1034 CB GLN A 66 -2.911 3.703 -7.928 1.00 0.00 C ATOM 1035 CG GLN A 66 -3.512 4.840 -8.739 1.00 0.00 C ATOM 1036 CD GLN A 66 -4.936 4.557 -9.176 1.00 0.00 C ATOM 1037 OE1 GLN A 66 -5.873 4.663 -8.385 1.00 0.00 O ATOM 1038 NE2 GLN A 66 -5.104 4.194 -10.442 1.00 0.00 N ATOM 0 H GLN A 66 -1.550 2.029 -6.728 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.883 4.384 -8.083 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.790 2.832 -8.573 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.609 3.421 -7.140 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.493 5.754 -8.145 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.895 5.019 -9.619 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.298 4.119 -11.062 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.039 3.990 -10.794 1.00 0.00 H new ATOM 1047 N VAL A 67 -2.086 4.800 -5.058 1.00 0.00 N ATOM 1048 CA VAL A 67 -2.270 5.762 -3.976 1.00 0.00 C ATOM 1049 C VAL A 67 -1.028 6.623 -3.815 1.00 0.00 C ATOM 1050 O VAL A 67 -1.117 7.840 -3.647 1.00 0.00 O ATOM 1051 CB VAL A 67 -2.577 5.029 -2.650 1.00 0.00 C ATOM 1052 CG1 VAL A 67 -2.648 5.997 -1.477 1.00 0.00 C ATOM 1053 CG2 VAL A 67 -3.869 4.236 -2.775 1.00 0.00 C ATOM 0 H VAL A 67 -2.252 3.831 -4.788 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.114 6.404 -4.228 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.758 4.338 -2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.865 5.445 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.693 6.512 -1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.436 6.728 -1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.074 3.724 -1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.691 4.914 -3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.769 3.501 -3.574 1.00 0.00 H new ATOM 1063 N LEU A 68 0.128 5.985 -3.882 1.00 0.00 N ATOM 1064 CA LEU A 68 1.391 6.688 -3.763 1.00 0.00 C ATOM 1065 C LEU A 68 1.689 7.474 -5.040 1.00 0.00 C ATOM 1066 O LEU A 68 2.554 8.349 -5.056 1.00 0.00 O ATOM 1067 CB LEU A 68 2.505 5.694 -3.467 1.00 0.00 C ATOM 1068 CG LEU A 68 2.847 5.553 -1.984 1.00 0.00 C ATOM 1069 CD1 LEU A 68 2.127 4.353 -1.372 1.00 0.00 C ATOM 1070 CD2 LEU A 68 4.356 5.431 -1.812 1.00 0.00 C ATOM 0 H LEU A 68 0.217 4.978 -4.019 1.00 0.00 H new ATOM 0 HA LEU A 68 1.327 7.399 -2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.217 4.717 -3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.401 6.000 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 68 2.507 6.445 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.386 4.273 -0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.050 4.485 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.431 3.443 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.595 5.331 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.714 4.553 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.841 6.322 -2.210 1.00 0.00 H new ATOM 1082 N ASP A 69 0.951 7.166 -6.109 1.00 0.00 N ATOM 1083 CA ASP A 69 1.119 7.856 -7.382 1.00 0.00 C ATOM 1084 C ASP A 69 0.712 9.315 -7.230 1.00 0.00 C ATOM 1085 O ASP A 69 1.479 10.223 -7.553 1.00 0.00 O ATOM 1086 CB ASP A 69 0.280 7.187 -8.473 1.00 0.00 C ATOM 1087 CG ASP A 69 0.955 7.227 -9.829 1.00 0.00 C ATOM 1088 OD1 ASP A 69 1.837 6.377 -10.079 1.00 0.00 O ATOM 1089 OD2 ASP A 69 0.604 8.107 -10.642 1.00 0.00 O ATOM 0 H ASP A 69 0.232 6.442 -6.114 1.00 0.00 H new ATOM 0 HA ASP A 69 2.167 7.802 -7.675 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.089 6.150 -8.196 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.688 7.683 -8.538 1.00 0.00 H new ATOM 1094 N GLU A 70 -0.492 9.533 -6.703 1.00 0.00 N ATOM 1095 CA GLU A 70 -0.990 10.886 -6.470 1.00 0.00 C ATOM 1096 C GLU A 70 -0.029 11.637 -5.559 1.00 0.00 C ATOM 1097 O GLU A 70 0.021 12.867 -5.550 1.00 0.00 O ATOM 1098 CB GLU A 70 -2.371 10.836 -5.809 1.00 0.00 C ATOM 1099 CG GLU A 70 -3.178 12.107 -5.993 1.00 0.00 C ATOM 1100 CD GLU A 70 -3.680 12.280 -7.412 1.00 0.00 C ATOM 1101 OE1 GLU A 70 -3.105 11.655 -8.328 1.00 0.00 O ATOM 1102 OE2 GLU A 70 -4.651 13.041 -7.608 1.00 0.00 O ATOM 0 H GLU A 70 -1.138 8.792 -6.430 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.068 11.399 -7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.932 9.997 -6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.248 10.645 -4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.028 12.095 -5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.563 12.965 -5.722 1.00 0.00 H new ATOM 1109 N LEU A 71 0.712 10.865 -4.778 1.00 0.00 N ATOM 1110 CA LEU A 71 1.667 11.397 -3.825 1.00 0.00 C ATOM 1111 C LEU A 71 2.878 12.014 -4.490 1.00 0.00 C ATOM 1112 O LEU A 71 3.107 13.217 -4.392 1.00 0.00 O ATOM 1113 CB LEU A 71 2.113 10.286 -2.906 1.00 0.00 C ATOM 1114 CG LEU A 71 1.569 10.464 -1.530 1.00 0.00 C ATOM 1115 CD1 LEU A 71 0.135 9.973 -1.514 1.00 0.00 C ATOM 1116 CD2 LEU A 71 2.407 9.737 -0.500 1.00 0.00 C ATOM 0 H LEU A 71 0.665 9.846 -4.790 1.00 0.00 H new ATOM 0 HA LEU A 71 1.168 12.190 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.785 9.327 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.202 10.259 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 71 1.600 11.521 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.280 10.095 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.455 10.551 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.108 8.919 -1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.979 9.890 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.421 8.671 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.425 10.125 -0.520 1.00 0.00 H new ATOM 1128 N ASN A 72 3.659 11.179 -5.164 1.00 0.00 N ATOM 1129 CA ASN A 72 4.855 11.642 -5.851 1.00 0.00 C ATOM 1130 C ASN A 72 4.551 12.901 -6.660 1.00 0.00 C ATOM 1131 O ASN A 72 5.447 13.678 -6.987 1.00 0.00 O ATOM 1132 CB ASN A 72 5.387 10.540 -6.765 1.00 0.00 C ATOM 1133 CG ASN A 72 6.900 10.543 -6.861 1.00 0.00 C ATOM 1134 OD1 ASN A 72 7.551 11.543 -6.560 1.00 0.00 O ATOM 1135 ND2 ASN A 72 7.468 9.419 -7.285 1.00 0.00 N ATOM 0 H ASN A 72 3.484 10.178 -5.249 1.00 0.00 H new ATOM 0 HA ASN A 72 5.616 11.885 -5.109 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.052 9.572 -6.394 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.963 10.663 -7.762 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.483 9.362 -7.372 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.889 8.614 -7.524 1.00 0.00 H new ATOM 1142 N ASN A 73 3.271 13.090 -6.975 1.00 0.00 N ATOM 1143 CA ASN A 73 2.831 14.239 -7.737 1.00 0.00 C ATOM 1144 C ASN A 73 2.618 15.470 -6.853 1.00 0.00 C ATOM 1145 O ASN A 73 2.668 16.592 -7.357 1.00 0.00 O ATOM 1146 CB ASN A 73 1.537 13.911 -8.485 1.00 0.00 C ATOM 1147 CG ASN A 73 1.701 12.745 -9.441 1.00 0.00 C ATOM 1148 OD1 ASN A 73 2.809 12.251 -9.652 1.00 0.00 O ATOM 1149 ND2 ASN A 73 0.595 12.299 -10.024 1.00 0.00 N ATOM 0 H ASN A 73 2.521 12.452 -6.708 1.00 0.00 H new ATOM 0 HA ASN A 73 3.620 14.475 -8.450 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.753 13.679 -7.764 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.209 14.790 -9.041 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.642 11.516 -10.676 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.302 12.739 -9.819 1.00 0.00 H new ATOM 1156 N HIS A 74 2.367 15.293 -5.545 1.00 0.00 N ATOM 1157 CA HIS A 74 2.146 16.462 -4.696 1.00 0.00 C ATOM 1158 C HIS A 74 2.881 16.378 -3.365 1.00 0.00 C ATOM 1159 O HIS A 74 2.413 16.915 -2.364 1.00 0.00 O ATOM 1160 CB HIS A 74 0.648 16.675 -4.469 1.00 0.00 C ATOM 1161 CG HIS A 74 -0.020 17.431 -5.576 1.00 0.00 C ATOM 1162 ND1 HIS A 74 0.126 18.790 -5.755 1.00 0.00 N ATOM 1163 CD2 HIS A 74 -0.842 17.009 -6.566 1.00 0.00 C ATOM 1164 CE1 HIS A 74 -0.577 19.172 -6.806 1.00 0.00 C ATOM 1165 NE2 HIS A 74 -1.173 18.111 -7.316 1.00 0.00 N ATOM 0 H HIS A 74 2.314 14.390 -5.073 1.00 0.00 H new ATOM 0 HA HIS A 74 2.560 17.320 -5.225 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.163 15.705 -4.358 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.503 17.213 -3.532 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.175 15.996 -6.734 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.651 20.181 -7.184 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.781 18.109 -8.135 1.00 0.00 H new ATOM 1174 N LEU A 75 4.054 15.750 -3.364 1.00 0.00 N ATOM 1175 CA LEU A 75 4.860 15.662 -2.149 1.00 0.00 C ATOM 1176 C LEU A 75 5.031 17.062 -1.571 1.00 0.00 C ATOM 1177 O LEU A 75 5.936 17.798 -1.961 1.00 0.00 O ATOM 1178 CB LEU A 75 6.230 15.062 -2.459 1.00 0.00 C ATOM 1179 CG LEU A 75 6.611 13.833 -1.634 1.00 0.00 C ATOM 1180 CD1 LEU A 75 6.091 13.960 -0.209 1.00 0.00 C ATOM 1181 CD2 LEU A 75 6.081 12.569 -2.290 1.00 0.00 C ATOM 0 H LEU A 75 4.465 15.299 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 75 4.357 15.018 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.259 14.793 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.987 15.831 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 75 7.698 13.769 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.373 13.075 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.522 14.845 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.005 14.051 -0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.361 11.703 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.995 12.625 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.507 12.471 -3.289 1.00 0.00 H new ATOM 1193 N GLN A 76 4.132 17.433 -0.674 1.00 0.00 N ATOM 1194 CA GLN A 76 4.149 18.757 -0.072 1.00 0.00 C ATOM 1195 C GLN A 76 5.408 18.977 0.764 1.00 0.00 C ATOM 1196 O GLN A 76 5.346 19.066 1.991 1.00 0.00 O ATOM 1197 CB GLN A 76 2.904 18.962 0.794 1.00 0.00 C ATOM 1198 CG GLN A 76 2.663 20.413 1.179 1.00 0.00 C ATOM 1199 CD GLN A 76 2.274 21.275 -0.007 1.00 0.00 C ATOM 1200 OE1 GLN A 76 1.773 20.777 -1.015 1.00 0.00 O ATOM 1201 NE2 GLN A 76 2.504 22.578 0.108 1.00 0.00 N ATOM 0 H GLN A 76 3.377 16.832 -0.345 1.00 0.00 H new ATOM 0 HA GLN A 76 4.150 19.488 -0.881 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.032 18.588 0.257 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.000 18.365 1.701 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.875 20.459 1.931 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.565 20.818 1.637 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.921 22.949 0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.263 23.208 -0.657 1.00 0.00 H new ATOM 1210 N GLY A 77 6.549 19.071 0.090 1.00 0.00 N ATOM 1211 CA GLY A 77 7.809 19.285 0.782 1.00 0.00 C ATOM 1212 C GLY A 77 8.049 18.275 1.887 1.00 0.00 C ATOM 1213 O GLY A 77 8.772 18.552 2.844 1.00 0.00 O ATOM 0 H GLY A 77 6.625 19.003 -0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.627 19.232 0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.820 20.290 1.205 1.00 0.00 H new ATOM 1217 N GLY A 78 7.439 17.103 1.755 1.00 0.00 N ATOM 1218 CA GLY A 78 7.601 16.067 2.757 1.00 0.00 C ATOM 1219 C GLY A 78 8.052 14.750 2.159 1.00 0.00 C ATOM 1220 O GLY A 78 7.588 13.684 2.562 1.00 0.00 O ATOM 0 H GLY A 78 6.835 16.852 0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.329 16.394 3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.656 15.921 3.280 1.00 0.00 H new ATOM 1224 N LYS A 79 8.961 14.824 1.191 1.00 0.00 N ATOM 1225 CA LYS A 79 9.480 13.631 0.528 1.00 0.00 C ATOM 1226 C LYS A 79 9.913 12.578 1.545 1.00 0.00 C ATOM 1227 O LYS A 79 9.829 11.380 1.281 1.00 0.00 O ATOM 1228 CB LYS A 79 10.657 13.998 -0.377 1.00 0.00 C ATOM 1229 CG LYS A 79 11.877 14.499 0.380 1.00 0.00 C ATOM 1230 CD LYS A 79 12.462 15.746 -0.263 1.00 0.00 C ATOM 1231 CE LYS A 79 11.641 16.983 0.066 1.00 0.00 C ATOM 1232 NZ LYS A 79 12.501 18.130 0.468 1.00 0.00 N ATOM 0 H LYS A 79 9.355 15.700 0.847 1.00 0.00 H new ATOM 0 HA LYS A 79 8.679 13.209 -0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.938 13.124 -0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.337 14.766 -1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.602 14.716 1.412 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.634 13.715 0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.487 15.887 0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.504 15.613 -1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.044 17.264 -0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.944 16.752 0.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.903 18.953 0.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.052 17.872 1.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.149 18.367 -0.310 1.00 0.00 H new ATOM 1246 N HIS A 80 10.377 13.033 2.705 1.00 0.00 N ATOM 1247 CA HIS A 80 10.822 12.125 3.755 1.00 0.00 C ATOM 1248 C HIS A 80 9.702 11.177 4.170 1.00 0.00 C ATOM 1249 O HIS A 80 9.952 10.031 4.541 1.00 0.00 O ATOM 1250 CB HIS A 80 11.318 12.913 4.969 1.00 0.00 C ATOM 1251 CG HIS A 80 12.037 12.070 5.977 1.00 0.00 C ATOM 1252 ND1 HIS A 80 11.636 11.963 7.291 1.00 0.00 N ATOM 1253 CD2 HIS A 80 13.137 11.290 5.856 1.00 0.00 C ATOM 1254 CE1 HIS A 80 12.459 11.154 7.936 1.00 0.00 C ATOM 1255 NE2 HIS A 80 13.377 10.732 7.087 1.00 0.00 N ATOM 0 H HIS A 80 10.454 14.022 2.941 1.00 0.00 H new ATOM 0 HA HIS A 80 11.645 11.531 3.358 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.984 13.706 4.630 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.468 13.395 5.451 1.00 0.00 H new ATOM 0 HD2 HIS A 80 13.717 11.136 4.958 1.00 0.00 H new ATOM 0 HE1 HIS A 80 12.392 10.884 8.980 1.00 0.00 H new ATOM 0 HE2 HIS A 80 14.141 10.094 7.310 1.00 0.00 H new ATOM 1264 N THR A 81 8.467 11.657 4.088 1.00 0.00 N ATOM 1265 CA THR A 81 7.313 10.844 4.438 1.00 0.00 C ATOM 1266 C THR A 81 7.155 9.730 3.425 1.00 0.00 C ATOM 1267 O THR A 81 7.470 8.573 3.702 1.00 0.00 O ATOM 1268 CB THR A 81 6.052 11.715 4.487 1.00 0.00 C ATOM 1269 OG1 THR A 81 5.922 12.324 5.760 1.00 0.00 O ATOM 1270 CG2 THR A 81 4.759 10.969 4.206 1.00 0.00 C ATOM 0 H THR A 81 8.241 12.604 3.783 1.00 0.00 H new ATOM 0 HA THR A 81 7.463 10.404 5.424 1.00 0.00 H new ATOM 0 HB THR A 81 6.193 12.448 3.693 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.286 11.814 6.303 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.920 11.662 4.262 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.802 10.530 3.209 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.627 10.179 4.945 1.00 0.00 H new ATOM 1278 N VAL A 82 6.678 10.095 2.244 1.00 0.00 N ATOM 1279 CA VAL A 82 6.481 9.135 1.170 1.00 0.00 C ATOM 1280 C VAL A 82 7.719 8.281 0.972 1.00 0.00 C ATOM 1281 O VAL A 82 7.613 7.080 0.774 1.00 0.00 O ATOM 1282 CB VAL A 82 6.138 9.828 -0.155 1.00 0.00 C ATOM 1283 CG1 VAL A 82 5.667 8.807 -1.179 1.00 0.00 C ATOM 1284 CG2 VAL A 82 5.088 10.898 0.070 1.00 0.00 C ATOM 0 H VAL A 82 6.420 11.053 2.006 1.00 0.00 H new ATOM 0 HA VAL A 82 5.643 8.503 1.464 1.00 0.00 H new ATOM 0 HB VAL A 82 7.035 10.309 -0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.427 9.313 -2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.457 8.076 -1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.779 8.298 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.853 11.382 -0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.186 10.442 0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.469 11.640 0.772 1.00 0.00 H new ATOM 1294 N HIS A 83 8.898 8.896 1.045 1.00 0.00 N ATOM 1295 CA HIS A 83 10.140 8.149 0.884 1.00 0.00 C ATOM 1296 C HIS A 83 10.119 6.916 1.777 1.00 0.00 C ATOM 1297 O HIS A 83 10.516 5.827 1.368 1.00 0.00 O ATOM 1298 CB HIS A 83 11.349 9.023 1.224 1.00 0.00 C ATOM 1299 CG HIS A 83 11.885 9.785 0.053 1.00 0.00 C ATOM 1300 ND1 HIS A 83 13.160 10.310 0.016 1.00 0.00 N ATOM 1301 CD2 HIS A 83 11.314 10.108 -1.132 1.00 0.00 C ATOM 1302 CE1 HIS A 83 13.349 10.923 -1.139 1.00 0.00 C ATOM 1303 NE2 HIS A 83 12.244 10.814 -1.854 1.00 0.00 N ATOM 0 H HIS A 83 9.018 9.895 1.212 1.00 0.00 H new ATOM 0 HA HIS A 83 10.225 7.839 -0.157 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.069 9.727 2.008 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.140 8.392 1.630 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.313 9.857 -1.450 1.00 0.00 H new ATOM 0 HE1 HIS A 83 14.253 11.427 -1.446 1.00 0.00 H new ATOM 0 HE2 HIS A 83 12.104 11.193 -2.791 1.00 0.00 H new ATOM 1312 N HIS A 84 9.630 7.101 2.999 1.00 0.00 N ATOM 1313 CA HIS A 84 9.526 6.009 3.954 1.00 0.00 C ATOM 1314 C HIS A 84 8.343 5.105 3.611 1.00 0.00 C ATOM 1315 O HIS A 84 8.344 3.917 3.936 1.00 0.00 O ATOM 1316 CB HIS A 84 9.379 6.556 5.375 1.00 0.00 C ATOM 1317 CG HIS A 84 10.660 6.557 6.150 1.00 0.00 C ATOM 1318 ND1 HIS A 84 11.709 7.407 5.870 1.00 0.00 N ATOM 1319 CD2 HIS A 84 11.059 5.805 7.203 1.00 0.00 C ATOM 1320 CE1 HIS A 84 12.697 7.177 6.716 1.00 0.00 C ATOM 1321 NE2 HIS A 84 12.327 6.210 7.536 1.00 0.00 N ATOM 0 H HIS A 84 9.299 8.000 3.350 1.00 0.00 H new ATOM 0 HA HIS A 84 10.440 5.418 3.899 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.993 7.574 5.326 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.640 5.960 5.911 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.486 5.030 7.690 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.646 7.692 6.734 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.892 5.827 8.294 1.00 0.00 H new ATOM 1330 N ILE A 85 7.332 5.675 2.955 1.00 0.00 N ATOM 1331 CA ILE A 85 6.145 4.913 2.575 1.00 0.00 C ATOM 1332 C ILE A 85 6.362 4.193 1.242 1.00 0.00 C ATOM 1333 O ILE A 85 5.898 3.072 1.055 1.00 0.00 O ATOM 1334 CB ILE A 85 4.851 5.793 2.532 1.00 0.00 C ATOM 1335 CG1 ILE A 85 4.414 6.118 1.106 1.00 0.00 C ATOM 1336 CG2 ILE A 85 5.022 7.074 3.323 1.00 0.00 C ATOM 1337 CD1 ILE A 85 2.962 6.542 1.007 1.00 0.00 C ATOM 0 H ILE A 85 7.312 6.656 2.677 1.00 0.00 H new ATOM 0 HA ILE A 85 5.989 4.166 3.353 1.00 0.00 H new ATOM 0 HB ILE A 85 4.065 5.196 2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.046 6.914 0.712 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.574 5.243 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.104 7.659 3.271 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.240 6.833 4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.846 7.653 2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.716 6.758 -0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.323 5.738 1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.802 7.435 1.611 1.00 0.00 H new ATOM 1349 N GLU A 86 7.081 4.836 0.326 1.00 0.00 N ATOM 1350 CA GLU A 86 7.369 4.242 -0.975 1.00 0.00 C ATOM 1351 C GLU A 86 8.364 3.103 -0.813 1.00 0.00 C ATOM 1352 O GLU A 86 8.165 2.014 -1.347 1.00 0.00 O ATOM 1353 CB GLU A 86 7.907 5.292 -1.955 1.00 0.00 C ATOM 1354 CG GLU A 86 8.949 6.222 -1.360 1.00 0.00 C ATOM 1355 CD GLU A 86 10.227 6.266 -2.176 1.00 0.00 C ATOM 1356 OE1 GLU A 86 10.158 6.032 -3.401 1.00 0.00 O ATOM 1357 OE2 GLU A 86 11.296 6.535 -1.590 1.00 0.00 O ATOM 0 H GLU A 86 7.474 5.767 0.461 1.00 0.00 H new ATOM 0 HA GLU A 86 6.441 3.848 -1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.340 4.782 -2.815 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.073 5.888 -2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.534 7.227 -1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.181 5.899 -0.345 1.00 0.00 H new ATOM 1364 N GLN A 87 9.421 3.342 -0.038 1.00 0.00 N ATOM 1365 CA GLN A 87 10.413 2.306 0.215 1.00 0.00 C ATOM 1366 C GLN A 87 9.728 1.111 0.864 1.00 0.00 C ATOM 1367 O GLN A 87 10.139 -0.035 0.686 1.00 0.00 O ATOM 1368 CB GLN A 87 11.524 2.835 1.126 1.00 0.00 C ATOM 1369 CG GLN A 87 12.827 3.119 0.395 1.00 0.00 C ATOM 1370 CD GLN A 87 12.722 4.302 -0.547 1.00 0.00 C ATOM 1371 OE1 GLN A 87 13.015 5.437 -0.172 1.00 0.00 O ATOM 1372 NE2 GLN A 87 12.301 4.041 -1.780 1.00 0.00 N ATOM 0 H GLN A 87 9.609 4.234 0.419 1.00 0.00 H new ATOM 0 HA GLN A 87 10.865 2.003 -0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.181 3.750 1.609 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.711 2.108 1.916 1.00 0.00 H new ATOM 0 HG2 GLN A 87 13.614 3.309 1.124 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.122 2.235 -0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.069 3.085 -2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.210 4.797 -2.459 1.00 0.00 H new ATOM 1381 N ASN A 88 8.662 1.401 1.608 1.00 0.00 N ATOM 1382 CA ASN A 88 7.886 0.374 2.280 1.00 0.00 C ATOM 1383 C ASN A 88 6.877 -0.247 1.320 1.00 0.00 C ATOM 1384 O ASN A 88 6.992 -1.416 0.959 1.00 0.00 O ATOM 1385 CB ASN A 88 7.159 0.970 3.489 1.00 0.00 C ATOM 1386 CG ASN A 88 7.953 0.819 4.772 1.00 0.00 C ATOM 1387 OD1 ASN A 88 7.513 0.160 5.714 1.00 0.00 O ATOM 1388 ND2 ASN A 88 9.130 1.432 4.815 1.00 0.00 N ATOM 0 H ASN A 88 8.318 2.349 1.758 1.00 0.00 H new ATOM 0 HA ASN A 88 8.567 -0.405 2.623 1.00 0.00 H new ATOM 0 HB2 ASN A 88 6.964 2.027 3.308 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.191 0.482 3.604 1.00 0.00 H new ATOM 0 HD21 ASN A 88 9.709 1.367 5.653 1.00 0.00 H new ATOM 0 HD22 ASN A 88 9.456 1.968 4.010 1.00 0.00 H new ATOM 1395 N ILE A 89 5.887 0.544 0.912 1.00 0.00 N ATOM 1396 CA ILE A 89 4.851 0.067 -0.001 1.00 0.00 C ATOM 1397 C ILE A 89 5.453 -0.556 -1.251 1.00 0.00 C ATOM 1398 O ILE A 89 5.061 -1.651 -1.655 1.00 0.00 O ATOM 1399 CB ILE A 89 3.859 1.194 -0.391 1.00 0.00 C ATOM 1400 CG1 ILE A 89 2.472 0.856 0.140 1.00 0.00 C ATOM 1401 CG2 ILE A 89 3.802 1.413 -1.903 1.00 0.00 C ATOM 1402 CD1 ILE A 89 1.831 1.984 0.919 1.00 0.00 C ATOM 0 H ILE A 89 5.780 1.517 1.199 1.00 0.00 H new ATOM 0 HA ILE A 89 4.295 -0.702 0.535 1.00 0.00 H new ATOM 0 HB ILE A 89 4.214 2.122 0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.826 0.591 -0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.541 -0.023 0.780 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.095 2.211 -2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.791 1.691 -2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.480 0.494 -2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.846 1.672 1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.456 2.235 1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.729 2.858 0.276 1.00 0.00 H new ATOM 1414 N LYS A 90 6.406 0.130 -1.862 1.00 0.00 N ATOM 1415 CA LYS A 90 7.037 -0.399 -3.057 1.00 0.00 C ATOM 1416 C LYS A 90 7.748 -1.704 -2.726 1.00 0.00 C ATOM 1417 O LYS A 90 7.860 -2.594 -3.568 1.00 0.00 O ATOM 1418 CB LYS A 90 8.013 0.614 -3.661 1.00 0.00 C ATOM 1419 CG LYS A 90 8.160 0.492 -5.169 1.00 0.00 C ATOM 1420 CD LYS A 90 7.295 1.509 -5.896 1.00 0.00 C ATOM 1421 CE LYS A 90 8.015 2.838 -6.063 1.00 0.00 C ATOM 1422 NZ LYS A 90 8.752 2.912 -7.355 1.00 0.00 N ATOM 0 H LYS A 90 6.754 1.039 -1.556 1.00 0.00 H new ATOM 0 HA LYS A 90 6.265 -0.594 -3.802 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.675 1.621 -3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.991 0.485 -3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.204 0.636 -5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.882 -0.514 -5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.019 1.119 -6.875 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.369 1.663 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.292 3.652 -6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.713 2.979 -5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.229 3.833 -7.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.460 2.151 -7.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.082 2.803 -8.143 1.00 0.00 H new ATOM 1436 N GLU A 91 8.199 -1.819 -1.479 1.00 0.00 N ATOM 1437 CA GLU A 91 8.865 -3.027 -1.012 1.00 0.00 C ATOM 1438 C GLU A 91 7.842 -3.997 -0.417 1.00 0.00 C ATOM 1439 O GLU A 91 8.182 -5.116 -0.033 1.00 0.00 O ATOM 1440 CB GLU A 91 9.932 -2.684 0.028 1.00 0.00 C ATOM 1441 CG GLU A 91 10.763 -3.881 0.462 1.00 0.00 C ATOM 1442 CD GLU A 91 12.242 -3.559 0.559 1.00 0.00 C ATOM 1443 OE1 GLU A 91 12.709 -2.679 -0.193 1.00 0.00 O ATOM 1444 OE2 GLU A 91 12.933 -4.188 1.389 1.00 0.00 O ATOM 0 H GLU A 91 8.114 -1.087 -0.774 1.00 0.00 H new ATOM 0 HA GLU A 91 9.351 -3.504 -1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.594 -1.921 -0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.449 -2.251 0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.407 -4.234 1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.618 -4.696 -0.247 1.00 0.00 H new ATOM 1451 N ILE A 92 6.582 -3.558 -0.350 1.00 0.00 N ATOM 1452 CA ILE A 92 5.508 -4.376 0.183 1.00 0.00 C ATOM 1453 C ILE A 92 5.070 -5.385 -0.867 1.00 0.00 C ATOM 1454 O ILE A 92 4.890 -6.566 -0.575 1.00 0.00 O ATOM 1455 CB ILE A 92 4.310 -3.502 0.638 1.00 0.00 C ATOM 1456 CG1 ILE A 92 4.305 -3.364 2.163 1.00 0.00 C ATOM 1457 CG2 ILE A 92 2.983 -4.076 0.162 1.00 0.00 C ATOM 1458 CD1 ILE A 92 5.624 -2.892 2.736 1.00 0.00 C ATOM 0 H ILE A 92 6.287 -2.633 -0.663 1.00 0.00 H new ATOM 0 HA ILE A 92 5.876 -4.908 1.060 1.00 0.00 H new ATOM 0 HB ILE A 92 4.429 -2.517 0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.522 -2.664 2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.051 -4.327 2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.168 -3.436 0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.978 -4.126 -0.927 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.852 -5.078 0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.544 -2.818 3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.408 -3.603 2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.871 -1.914 2.323 1.00 0.00 H new ATOM 1470 N PHE A 93 4.922 -4.908 -2.099 1.00 0.00 N ATOM 1471 CA PHE A 93 4.525 -5.765 -3.206 1.00 0.00 C ATOM 1472 C PHE A 93 5.437 -6.990 -3.290 1.00 0.00 C ATOM 1473 O PHE A 93 5.026 -8.052 -3.754 1.00 0.00 O ATOM 1474 CB PHE A 93 4.581 -4.983 -4.525 1.00 0.00 C ATOM 1475 CG PHE A 93 5.827 -5.255 -5.316 1.00 0.00 C ATOM 1476 CD1 PHE A 93 7.067 -5.004 -4.763 1.00 0.00 C ATOM 1477 CD2 PHE A 93 5.757 -5.786 -6.591 1.00 0.00 C ATOM 1478 CE1 PHE A 93 8.221 -5.275 -5.463 1.00 0.00 C ATOM 1479 CE2 PHE A 93 6.909 -6.062 -7.301 1.00 0.00 C ATOM 1480 CZ PHE A 93 8.144 -5.806 -6.736 1.00 0.00 C ATOM 0 H PHE A 93 5.072 -3.932 -2.354 1.00 0.00 H new ATOM 0 HA PHE A 93 3.503 -6.101 -3.032 1.00 0.00 H new ATOM 0 HB2 PHE A 93 3.711 -5.238 -5.129 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.519 -3.916 -4.311 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.132 -4.589 -3.768 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.793 -5.987 -7.035 1.00 0.00 H new ATOM 0 HE1 PHE A 93 9.184 -5.073 -5.018 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.845 -6.477 -8.296 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.047 -6.021 -7.288 1.00 0.00 H new ATOM 1490 N HIS A 94 6.683 -6.823 -2.850 1.00 0.00 N ATOM 1491 CA HIS A 94 7.658 -7.903 -2.888 1.00 0.00 C ATOM 1492 C HIS A 94 7.187 -9.060 -2.032 1.00 0.00 C ATOM 1493 O HIS A 94 6.877 -10.136 -2.540 1.00 0.00 O ATOM 1494 CB HIS A 94 9.024 -7.412 -2.406 1.00 0.00 C ATOM 1495 CG HIS A 94 10.166 -8.256 -2.880 1.00 0.00 C ATOM 1496 ND1 HIS A 94 10.516 -9.450 -2.287 1.00 0.00 N ATOM 1497 CD2 HIS A 94 11.040 -8.073 -3.899 1.00 0.00 C ATOM 1498 CE1 HIS A 94 11.556 -9.965 -2.919 1.00 0.00 C ATOM 1499 NE2 HIS A 94 11.892 -9.149 -3.901 1.00 0.00 N ATOM 0 H HIS A 94 7.038 -5.948 -2.463 1.00 0.00 H new ATOM 0 HA HIS A 94 7.758 -8.243 -3.919 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.174 -6.388 -2.748 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.028 -7.388 -1.316 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.062 -7.237 -4.582 1.00 0.00 H new ATOM 0 HE1 HIS A 94 12.047 -10.895 -2.674 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.661 -9.295 -4.555 1.00 0.00 H new ATOM 1508 N HIS A 95 7.103 -8.821 -0.732 1.00 0.00 N ATOM 1509 CA HIS A 95 6.635 -9.838 0.193 1.00 0.00 C ATOM 1510 C HIS A 95 5.192 -10.222 -0.125 1.00 0.00 C ATOM 1511 O HIS A 95 4.664 -11.191 0.419 1.00 0.00 O ATOM 1512 CB HIS A 95 6.742 -9.338 1.634 1.00 0.00 C ATOM 1513 CG HIS A 95 8.152 -9.236 2.126 1.00 0.00 C ATOM 1514 ND1 HIS A 95 8.476 -8.879 3.418 1.00 0.00 N ATOM 1515 CD2 HIS A 95 9.328 -9.449 1.489 1.00 0.00 C ATOM 1516 CE1 HIS A 95 9.790 -8.876 3.554 1.00 0.00 C ATOM 1517 NE2 HIS A 95 10.330 -9.219 2.400 1.00 0.00 N ATOM 0 H HIS A 95 7.353 -7.933 -0.296 1.00 0.00 H new ATOM 0 HA HIS A 95 7.264 -10.721 0.082 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.268 -8.359 1.707 1.00 0.00 H new ATOM 0 HB3 HIS A 95 6.185 -10.011 2.286 1.00 0.00 H new ATOM 0 HD2 HIS A 95 9.454 -9.744 0.458 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.331 -8.634 4.457 1.00 0.00 H new ATOM 0 HE2 HIS A 95 11.330 -9.300 2.214 1.00 0.00 H new ATOM 1526 N LEU A 96 4.557 -9.458 -1.019 1.00 0.00 N ATOM 1527 CA LEU A 96 3.180 -9.729 -1.408 1.00 0.00 C ATOM 1528 C LEU A 96 3.140 -10.684 -2.587 1.00 0.00 C ATOM 1529 O LEU A 96 2.641 -11.804 -2.478 1.00 0.00 O ATOM 1530 CB LEU A 96 2.471 -8.429 -1.765 1.00 0.00 C ATOM 1531 CG LEU A 96 2.075 -7.577 -0.570 1.00 0.00 C ATOM 1532 CD1 LEU A 96 1.333 -6.333 -1.028 1.00 0.00 C ATOM 1533 CD2 LEU A 96 1.223 -8.370 0.407 1.00 0.00 C ATOM 0 H LEU A 96 4.977 -8.652 -1.482 1.00 0.00 H new ATOM 0 HA LEU A 96 2.667 -10.193 -0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.121 -7.842 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.575 -8.665 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 96 2.987 -7.272 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.057 -5.734 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.976 -5.746 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.433 -6.625 -1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.954 -7.737 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.317 -8.711 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.786 -9.232 0.764 1.00 0.00 H new ATOM 1545 N GLU A 97 3.684 -10.240 -3.712 1.00 0.00 N ATOM 1546 CA GLU A 97 3.726 -11.065 -4.905 1.00 0.00 C ATOM 1547 C GLU A 97 4.661 -12.251 -4.693 1.00 0.00 C ATOM 1548 O GLU A 97 4.663 -13.197 -5.480 1.00 0.00 O ATOM 1549 CB GLU A 97 4.179 -10.242 -6.112 1.00 0.00 C ATOM 1550 CG GLU A 97 3.070 -9.404 -6.726 1.00 0.00 C ATOM 1551 CD GLU A 97 2.484 -10.037 -7.972 1.00 0.00 C ATOM 1552 OE1 GLU A 97 3.246 -10.274 -8.932 1.00 0.00 O ATOM 1553 OE2 GLU A 97 1.262 -10.295 -7.989 1.00 0.00 O ATOM 0 H GLU A 97 4.101 -9.315 -3.821 1.00 0.00 H new ATOM 0 HA GLU A 97 2.722 -11.440 -5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.994 -9.585 -5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.578 -10.915 -6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 97 2.279 -9.259 -5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.460 -8.417 -6.973 1.00 0.00 H new ATOM 1560 N GLU A 98 5.447 -12.203 -3.616 1.00 0.00 N ATOM 1561 CA GLU A 98 6.369 -13.292 -3.308 1.00 0.00 C ATOM 1562 C GLU A 98 5.672 -14.356 -2.468 1.00 0.00 C ATOM 1563 O GLU A 98 6.047 -15.528 -2.494 1.00 0.00 O ATOM 1564 CB GLU A 98 7.603 -12.771 -2.566 1.00 0.00 C ATOM 1565 CG GLU A 98 8.584 -12.031 -3.461 1.00 0.00 C ATOM 1566 CD GLU A 98 9.642 -12.947 -4.048 1.00 0.00 C ATOM 1567 OE1 GLU A 98 10.302 -13.666 -3.270 1.00 0.00 O ATOM 1568 OE2 GLU A 98 9.808 -12.943 -5.286 1.00 0.00 O ATOM 0 H GLU A 98 5.463 -11.430 -2.951 1.00 0.00 H new ATOM 0 HA GLU A 98 6.692 -13.735 -4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.281 -12.105 -1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.115 -13.610 -2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.038 -11.547 -4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.070 -11.242 -2.887 1.00 0.00 H new ATOM 1575 N LEU A 99 4.653 -13.935 -1.726 1.00 0.00 N ATOM 1576 CA LEU A 99 3.895 -14.844 -0.879 1.00 0.00 C ATOM 1577 C LEU A 99 3.116 -15.848 -1.719 1.00 0.00 C ATOM 1578 O LEU A 99 3.268 -17.059 -1.559 1.00 0.00 O ATOM 1579 CB LEU A 99 2.932 -14.054 0.009 1.00 0.00 C ATOM 1580 CG LEU A 99 2.036 -14.905 0.907 1.00 0.00 C ATOM 1581 CD1 LEU A 99 2.776 -15.292 2.176 1.00 0.00 C ATOM 1582 CD2 LEU A 99 0.753 -14.159 1.240 1.00 0.00 C ATOM 0 H LEU A 99 4.334 -12.967 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 99 4.599 -15.391 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.512 -13.378 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.300 -13.435 -0.627 1.00 0.00 H new ATOM 0 HG LEU A 99 1.771 -15.816 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.125 -15.898 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.667 -15.865 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.068 -14.391 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.127 -14.780 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.996 -13.232 1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.216 -13.930 0.320 1.00 0.00 H new ATOM 1594 N VAL A 100 2.275 -15.336 -2.611 1.00 0.00 N ATOM 1595 CA VAL A 100 1.466 -16.186 -3.476 1.00 0.00 C ATOM 1596 C VAL A 100 2.337 -17.020 -4.410 1.00 0.00 C ATOM 1597 O VAL A 100 2.053 -18.193 -4.654 1.00 0.00 O ATOM 1598 CB VAL A 100 0.479 -15.352 -4.313 1.00 0.00 C ATOM 1599 CG1 VAL A 100 -0.458 -16.257 -5.099 1.00 0.00 C ATOM 1600 CG2 VAL A 100 -0.309 -14.404 -3.419 1.00 0.00 C ATOM 0 H VAL A 100 2.136 -14.336 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 100 0.904 -16.855 -2.824 1.00 0.00 H new ATOM 0 HB VAL A 100 1.050 -14.756 -5.025 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.147 -15.647 -5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.124 -16.890 -5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.023 -16.883 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.002 -13.822 -4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.868 -14.980 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.379 -13.730 -2.907 1.00 0.00 H new ATOM 1610 N HIS A 101 3.396 -16.411 -4.932 1.00 0.00 N ATOM 1611 CA HIS A 101 4.304 -17.103 -5.840 1.00 0.00 C ATOM 1612 C HIS A 101 4.950 -18.304 -5.157 1.00 0.00 C ATOM 1613 O HIS A 101 5.230 -19.318 -5.796 1.00 0.00 O ATOM 1614 CB HIS A 101 5.386 -16.147 -6.346 1.00 0.00 C ATOM 1615 CG HIS A 101 5.974 -16.552 -7.662 1.00 0.00 C ATOM 1616 ND1 HIS A 101 6.439 -17.825 -7.920 1.00 0.00 N ATOM 1617 CD2 HIS A 101 6.172 -15.844 -8.800 1.00 0.00 C ATOM 1618 CE1 HIS A 101 6.897 -17.881 -9.158 1.00 0.00 C ATOM 1619 NE2 HIS A 101 6.745 -16.693 -9.712 1.00 0.00 N ATOM 0 H HIS A 101 3.647 -15.441 -4.742 1.00 0.00 H new ATOM 0 HA HIS A 101 3.721 -17.461 -6.689 1.00 0.00 H new ATOM 0 HB2 HIS A 101 4.962 -15.147 -6.439 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.182 -16.087 -5.604 1.00 0.00 H new ATOM 0 HD1 HIS A 101 6.431 -18.601 -7.259 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.925 -14.805 -8.959 1.00 0.00 H new ATOM 0 HE1 HIS A 101 7.323 -18.751 -9.635 1.00 0.00 H new ATOM 1628 N ARG A 102 5.184 -18.183 -3.855 1.00 0.00 N ATOM 1629 CA ARG A 102 5.798 -19.260 -3.086 1.00 0.00 C ATOM 1630 C ARG A 102 4.787 -20.365 -2.797 1.00 0.00 C ATOM 1631 O ARG A 102 5.180 -21.550 -2.836 1.00 0.00 O ATOM 1632 CB ARG A 102 6.371 -18.716 -1.774 1.00 0.00 C ATOM 1633 CG ARG A 102 7.811 -19.131 -1.523 1.00 0.00 C ATOM 1634 CD ARG A 102 8.181 -19.001 -0.054 1.00 0.00 C ATOM 1635 NE ARG A 102 9.141 -20.020 0.362 1.00 0.00 N ATOM 1636 CZ ARG A 102 9.380 -20.340 1.632 1.00 0.00 C ATOM 1637 NH1 ARG A 102 8.731 -19.724 2.612 1.00 0.00 N ATOM 1638 NH2 ARG A 102 10.270 -21.279 1.922 1.00 0.00 N ATOM 1639 OXT ARG A 102 3.611 -20.036 -2.535 1.00 0.00 O ATOM 0 H ARG A 102 4.958 -17.351 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 102 6.609 -19.682 -3.679 1.00 0.00 H new ATOM 0 HB2 ARG A 102 6.311 -17.628 -1.784 1.00 0.00 H new ATOM 0 HB3 ARG A 102 5.752 -19.061 -0.946 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.955 -20.162 -1.846 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.479 -18.513 -2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.601 -18.012 0.128 1.00 0.00 H new ATOM 0 HD3 ARG A 102 7.281 -19.081 0.555 1.00 0.00 H new ATOM 0 HE ARG A 102 9.659 -20.516 -0.363 1.00 0.00 H new ATOM 0 HH11 ARG A 102 8.045 -19.001 2.394 1.00 0.00 H new ATOM 0 HH12 ARG A 102 8.918 -19.973 3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 102 10.771 -21.756 1.172 1.00 0.00 H new ATOM 0 HH22 ARG A 102 10.454 -21.525 2.895 1.00 0.00 H new