USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 760 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 48 ASN : amide:sc= -2.86 K(o=-8.6,f=-9.1!) USER MOD Set 1.2: A 52 ASN : amide:sc= -5.79! C(o=-8.6!,f=-9.5!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -130:sc= -0.28 USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= -0.972 (180deg=-1.07) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= 0.0714 X(o=0.071,f=-0.35) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 159:sc= -0.0132 (180deg=-0.158) USER MOD Single : A 45 ASN : amide:sc= -8! C(o=-8!,f=-4.9!) USER MOD Single : A 46 MET CE :methyl -158:sc= 0 (180deg=-0.508) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 147:sc= -0.253 (180deg=-1.19) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.1) USER MOD Single : A 59 LYS NZ :NH3+ -155:sc= -0.416 (180deg=-0.893) USER MOD Single : A 60 TYR OH : rot -39:sc= 0.688 USER MOD Single : A 62 LYS NZ :NH3+ -153:sc= -0.31 (180deg=-1.47!) USER MOD Single : A 64 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-0.23) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 80 ASN : amide:sc= 0.0158 K(o=0.016,f=-6.4!) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 80:sc= 1.14 USER MOD Single : A 92 MET CE :methyl -128:sc= -1.54 (180deg=-6.23!) USER MOD Single : A 93 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.3!) USER MOD Single : A 94 ASN : amide:sc= -1.22 K(o=-1.2,f=-8!) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.851 K(o=-0.85,f=-0.015) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.61) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 26 -8.778 -17.557 -8.431 1.00 0.00 N ATOM 2 CA THR A 26 -8.110 -16.412 -7.820 1.00 0.00 C ATOM 3 C THR A 26 -9.059 -15.224 -7.707 1.00 0.00 C ATOM 4 O THR A 26 -9.732 -14.861 -8.673 1.00 0.00 O ATOM 5 CB THR A 26 -6.878 -16.020 -8.637 1.00 0.00 C ATOM 6 OG1 THR A 26 -6.175 -14.963 -8.008 1.00 0.00 O ATOM 7 CG2 THR A 26 -7.209 -15.578 -10.046 1.00 0.00 C ATOM 0 HA THR A 26 -7.796 -16.699 -6.816 1.00 0.00 H new ATOM 0 HB THR A 26 -6.269 -16.922 -8.691 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.389 -14.728 -8.545 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.290 -15.314 -10.570 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.708 -16.390 -10.574 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.868 -14.710 -10.010 1.00 0.00 H new ATOM 15 N SER A 27 -9.107 -14.621 -6.524 1.00 0.00 N ATOM 16 CA SER A 27 -9.974 -13.473 -6.287 1.00 0.00 C ATOM 17 C SER A 27 -9.176 -12.173 -6.317 1.00 0.00 C ATOM 18 O SER A 27 -8.481 -11.838 -5.358 1.00 0.00 O ATOM 19 CB SER A 27 -10.687 -13.616 -4.941 1.00 0.00 C ATOM 20 OG SER A 27 -11.941 -14.260 -5.093 1.00 0.00 O ATOM 0 H SER A 27 -8.556 -14.908 -5.715 1.00 0.00 H new ATOM 0 HA SER A 27 -10.718 -13.440 -7.083 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.062 -14.187 -4.254 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.832 -12.631 -4.496 1.00 0.00 H new ATOM 0 HG SER A 27 -12.635 -13.737 -4.640 1.00 0.00 H new ATOM 25 N LYS A 28 -9.282 -11.446 -7.423 1.00 0.00 N ATOM 26 CA LYS A 28 -8.570 -10.184 -7.579 1.00 0.00 C ATOM 27 C LYS A 28 -9.323 -9.047 -6.895 1.00 0.00 C ATOM 28 O LYS A 28 -10.538 -8.916 -7.043 1.00 0.00 O ATOM 29 CB LYS A 28 -8.372 -9.865 -9.063 1.00 0.00 C ATOM 30 CG LYS A 28 -6.944 -9.481 -9.416 1.00 0.00 C ATOM 31 CD LYS A 28 -6.226 -10.604 -10.147 1.00 0.00 C ATOM 32 CE LYS A 28 -6.149 -11.863 -9.300 1.00 0.00 C ATOM 33 NZ LYS A 28 -5.205 -11.709 -8.158 1.00 0.00 N ATOM 0 H LYS A 28 -9.854 -11.709 -8.225 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.594 -10.284 -7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.663 -10.733 -9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.039 -9.050 -9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.951 -8.587 -10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.398 -9.231 -8.506 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.746 -10.823 -11.079 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.219 -10.281 -10.412 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.141 -12.106 -8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.832 -12.700 -9.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.318 -12.510 -7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.228 -11.689 -8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.409 -10.821 -7.657 1.00 0.00 H new ATOM 47 N GLN A 29 -8.593 -8.227 -6.146 1.00 0.00 N ATOM 48 CA GLN A 29 -9.192 -7.099 -5.440 1.00 0.00 C ATOM 49 C GLN A 29 -8.359 -5.838 -5.623 1.00 0.00 C ATOM 50 O GLN A 29 -7.131 -5.895 -5.674 1.00 0.00 O ATOM 51 CB GLN A 29 -9.345 -7.417 -3.950 1.00 0.00 C ATOM 52 CG GLN A 29 -10.165 -8.669 -3.678 1.00 0.00 C ATOM 53 CD GLN A 29 -11.511 -8.360 -3.049 1.00 0.00 C ATOM 54 OE1 GLN A 29 -11.632 -8.270 -1.828 1.00 0.00 O ATOM 55 NE2 GLN A 29 -12.530 -8.196 -3.885 1.00 0.00 N ATOM 0 H GLN A 29 -7.586 -8.322 -6.012 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.180 -6.924 -5.865 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.356 -7.537 -3.509 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.815 -6.569 -3.452 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.320 -9.207 -4.613 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.603 -9.331 -3.019 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.383 -8.280 -4.891 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.460 -7.986 -3.521 1.00 0.00 H new ATOM 64 N GLU A 30 -9.039 -4.703 -5.734 1.00 0.00 N ATOM 65 CA GLU A 30 -8.363 -3.429 -5.927 1.00 0.00 C ATOM 66 C GLU A 30 -8.952 -2.347 -5.025 1.00 0.00 C ATOM 67 O GLU A 30 -10.169 -2.239 -4.879 1.00 0.00 O ATOM 68 CB GLU A 30 -8.462 -3.012 -7.396 1.00 0.00 C ATOM 69 CG GLU A 30 -9.837 -2.494 -7.800 1.00 0.00 C ATOM 70 CD GLU A 30 -10.329 -3.100 -9.100 1.00 0.00 C ATOM 71 OE1 GLU A 30 -9.688 -2.861 -10.146 1.00 0.00 O ATOM 72 OE2 GLU A 30 -11.354 -3.813 -9.073 1.00 0.00 O ATOM 0 H GLU A 30 -10.056 -4.640 -5.694 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.314 -3.550 -5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.720 -2.238 -7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.208 -3.866 -8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.552 -2.715 -7.007 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.797 -1.409 -7.901 1.00 0.00 H new ATOM 79 N LEU A 31 -8.077 -1.546 -4.425 1.00 0.00 N ATOM 80 CA LEU A 31 -8.508 -0.469 -3.539 1.00 0.00 C ATOM 81 C LEU A 31 -8.306 0.889 -4.205 1.00 0.00 C ATOM 82 O LEU A 31 -7.391 1.068 -5.007 1.00 0.00 O ATOM 83 CB LEU A 31 -7.734 -0.523 -2.219 1.00 0.00 C ATOM 84 CG LEU A 31 -7.876 -1.833 -1.439 1.00 0.00 C ATOM 85 CD1 LEU A 31 -6.534 -2.263 -0.867 1.00 0.00 C ATOM 86 CD2 LEU A 31 -8.907 -1.684 -0.330 1.00 0.00 C ATOM 0 H LEU A 31 -7.066 -1.622 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.570 -0.602 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.677 -0.354 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.069 0.298 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.219 -2.607 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.655 -3.196 -0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.823 -2.411 -1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.161 -1.491 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.995 -2.625 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.593 -0.897 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.873 -1.424 -0.764 1.00 0.00 H new ATOM 98 N ILE A 32 -9.170 1.842 -3.869 1.00 0.00 N ATOM 99 CA ILE A 32 -9.086 3.182 -4.439 1.00 0.00 C ATOM 100 C ILE A 32 -8.638 4.199 -3.393 1.00 0.00 C ATOM 101 O ILE A 32 -9.252 4.328 -2.334 1.00 0.00 O ATOM 102 CB ILE A 32 -10.439 3.626 -5.032 1.00 0.00 C ATOM 103 CG1 ILE A 32 -10.299 4.981 -5.728 1.00 0.00 C ATOM 104 CG2 ILE A 32 -11.504 3.689 -3.946 1.00 0.00 C ATOM 105 CD1 ILE A 32 -9.359 4.958 -6.914 1.00 0.00 C ATOM 0 H ILE A 32 -9.935 1.712 -3.206 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.346 3.141 -5.238 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.749 2.889 -5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.283 5.313 -6.061 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.942 5.716 -5.006 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.451 4.004 -4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.622 2.704 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.202 4.404 -3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -9.309 5.952 -7.358 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.365 4.657 -6.584 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.726 4.248 -7.655 1.00 0.00 H new ATOM 117 N LEU A 33 -7.564 4.921 -3.700 1.00 0.00 N ATOM 118 CA LEU A 33 -7.033 5.929 -2.790 1.00 0.00 C ATOM 119 C LEU A 33 -6.973 7.294 -3.469 1.00 0.00 C ATOM 120 O LEU A 33 -6.886 7.385 -4.694 1.00 0.00 O ATOM 121 CB LEU A 33 -5.640 5.527 -2.304 1.00 0.00 C ATOM 122 CG LEU A 33 -5.619 4.638 -1.057 1.00 0.00 C ATOM 123 CD1 LEU A 33 -4.709 3.437 -1.269 1.00 0.00 C ATOM 124 CD2 LEU A 33 -5.177 5.434 0.162 1.00 0.00 C ATOM 0 H LEU A 33 -7.045 4.826 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.702 5.997 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.127 5.005 -3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.069 6.432 -2.096 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.631 4.274 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.708 2.818 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.071 2.851 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.695 3.780 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.169 4.784 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.175 5.830 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.870 6.259 0.329 1.00 0.00 H new ATOM 136 N VAL A 34 -7.014 8.351 -2.666 1.00 0.00 N ATOM 137 CA VAL A 34 -6.961 9.709 -3.189 1.00 0.00 C ATOM 138 C VAL A 34 -6.267 10.645 -2.213 1.00 0.00 C ATOM 139 O VAL A 34 -6.727 10.848 -1.089 1.00 0.00 O ATOM 140 CB VAL A 34 -8.368 10.253 -3.500 1.00 0.00 C ATOM 141 CG1 VAL A 34 -8.277 11.584 -4.233 1.00 0.00 C ATOM 142 CG2 VAL A 34 -9.164 9.243 -4.311 1.00 0.00 C ATOM 0 H VAL A 34 -7.084 8.293 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.389 9.667 -4.116 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.889 10.419 -2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.281 11.952 -4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.749 12.307 -3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.736 11.447 -5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.155 9.645 -4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.648 9.042 -5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.261 8.317 -3.745 1.00 0.00 H new ATOM 152 N LEU A 35 -5.150 11.205 -2.654 1.00 0.00 N ATOM 153 CA LEU A 35 -4.369 12.114 -1.833 1.00 0.00 C ATOM 154 C LEU A 35 -4.445 13.536 -2.375 1.00 0.00 C ATOM 155 O LEU A 35 -5.291 13.851 -3.211 1.00 0.00 O ATOM 156 CB LEU A 35 -2.916 11.639 -1.792 1.00 0.00 C ATOM 157 CG LEU A 35 -2.277 11.632 -0.404 1.00 0.00 C ATOM 158 CD1 LEU A 35 -3.005 10.668 0.523 1.00 0.00 C ATOM 159 CD2 LEU A 35 -0.802 11.274 -0.505 1.00 0.00 C ATOM 0 H LEU A 35 -4.763 11.043 -3.584 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.779 12.117 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.868 10.630 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.322 12.278 -2.446 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.362 12.633 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.532 10.680 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.047 10.972 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.957 9.660 0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.359 11.273 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.697 10.285 -0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.291 12.008 -1.128 1.00 0.00 H new ATOM 171 N LYS A 36 -3.551 14.396 -1.892 1.00 0.00 N ATOM 172 CA LYS A 36 -3.511 15.788 -2.328 1.00 0.00 C ATOM 173 C LYS A 36 -2.324 16.513 -1.715 1.00 0.00 C ATOM 174 O LYS A 36 -2.105 16.454 -0.505 1.00 0.00 O ATOM 175 CB LYS A 36 -4.814 16.495 -1.946 1.00 0.00 C ATOM 176 CG LYS A 36 -5.084 16.508 -0.449 1.00 0.00 C ATOM 177 CD LYS A 36 -4.598 17.802 0.183 1.00 0.00 C ATOM 178 CE LYS A 36 -4.471 17.672 1.696 1.00 0.00 C ATOM 179 NZ LYS A 36 -3.285 18.391 2.217 1.00 0.00 N ATOM 0 H LYS A 36 -2.844 14.152 -1.198 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.400 15.805 -3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.780 17.522 -2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.645 16.005 -2.452 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.152 16.390 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.585 15.660 0.021 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.632 18.075 -0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.291 18.608 -0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.370 18.065 2.170 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.403 16.618 1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.236 18.277 3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.424 18.000 1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.361 19.402 1.983 1.00 0.00 H new ATOM 193 N GLY A 37 -1.555 17.202 -2.558 1.00 0.00 N ATOM 194 CA GLY A 37 -0.397 17.930 -2.081 1.00 0.00 C ATOM 195 C GLY A 37 0.908 17.360 -2.604 1.00 0.00 C ATOM 196 O GLY A 37 1.949 17.476 -1.955 1.00 0.00 O ATOM 0 H GLY A 37 -1.717 17.267 -3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.480 18.974 -2.383 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.386 17.913 -0.991 1.00 0.00 H new ATOM 200 N GLU A 38 0.848 16.736 -3.779 1.00 0.00 N ATOM 201 CA GLU A 38 2.034 16.145 -4.388 1.00 0.00 C ATOM 202 C GLU A 38 2.678 17.114 -5.375 1.00 0.00 C ATOM 203 O GLU A 38 2.264 17.218 -6.528 1.00 0.00 O ATOM 204 CB GLU A 38 1.672 14.842 -5.099 1.00 0.00 C ATOM 205 CG GLU A 38 2.752 13.777 -5.002 1.00 0.00 C ATOM 206 CD GLU A 38 2.326 12.458 -5.609 1.00 0.00 C ATOM 207 OE1 GLU A 38 1.142 12.082 -5.447 1.00 0.00 O ATOM 208 OE2 GLU A 38 3.172 11.796 -6.247 1.00 0.00 O ATOM 0 H GLU A 38 -0.007 16.628 -4.325 1.00 0.00 H new ATOM 0 HA GLU A 38 2.751 15.931 -3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.748 14.450 -4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.475 15.054 -6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.652 14.131 -5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.012 13.623 -3.955 1.00 0.00 H new ATOM 215 N LEU A 39 3.700 17.829 -4.913 1.00 0.00 N ATOM 216 CA LEU A 39 4.404 18.793 -5.756 1.00 0.00 C ATOM 217 C LEU A 39 5.868 18.400 -5.935 1.00 0.00 C ATOM 218 O LEU A 39 6.369 18.340 -7.056 1.00 0.00 O ATOM 219 CB LEU A 39 4.311 20.191 -5.148 1.00 0.00 C ATOM 220 CG LEU A 39 2.930 20.842 -5.217 1.00 0.00 C ATOM 221 CD1 LEU A 39 2.609 21.562 -3.917 1.00 0.00 C ATOM 222 CD2 LEU A 39 2.843 21.797 -6.395 1.00 0.00 C ATOM 0 H LEU A 39 4.059 17.760 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 39 3.928 18.795 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.617 20.136 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.026 20.839 -5.656 1.00 0.00 H new ATOM 0 HG LEU A 39 2.190 20.055 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.622 22.018 -3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.621 20.848 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.354 22.337 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.852 22.249 -6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.595 22.579 -6.286 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.020 21.250 -7.321 1.00 0.00 H new ATOM 234 N ASP A 40 6.543 18.125 -4.824 1.00 0.00 N ATOM 235 CA ASP A 40 7.944 17.731 -4.859 1.00 0.00 C ATOM 236 C ASP A 40 8.203 16.534 -3.953 1.00 0.00 C ATOM 237 O ASP A 40 8.802 15.543 -4.372 1.00 0.00 O ATOM 238 CB ASP A 40 8.831 18.903 -4.435 1.00 0.00 C ATOM 239 CG ASP A 40 8.341 19.572 -3.165 1.00 0.00 C ATOM 240 OD1 ASP A 40 7.449 20.441 -3.257 1.00 0.00 O ATOM 241 OD2 ASP A 40 8.851 19.228 -2.078 1.00 0.00 O ATOM 0 H ASP A 40 6.141 18.168 -3.888 1.00 0.00 H new ATOM 0 HA ASP A 40 8.187 17.444 -5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.850 18.547 -4.285 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.865 19.638 -5.239 1.00 0.00 H new ATOM 246 N LEU A 41 7.739 16.623 -2.710 1.00 0.00 N ATOM 247 CA LEU A 41 7.920 15.542 -1.745 1.00 0.00 C ATOM 248 C LEU A 41 6.627 15.266 -0.989 1.00 0.00 C ATOM 249 O LEU A 41 6.129 16.120 -0.255 1.00 0.00 O ATOM 250 CB LEU A 41 9.037 15.896 -0.759 1.00 0.00 C ATOM 251 CG LEU A 41 10.458 15.707 -1.294 1.00 0.00 C ATOM 252 CD1 LEU A 41 10.950 16.984 -1.960 1.00 0.00 C ATOM 253 CD2 LEU A 41 11.402 15.296 -0.173 1.00 0.00 C ATOM 0 H LEU A 41 7.235 17.432 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 41 8.198 14.641 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.915 16.935 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.918 15.285 0.136 1.00 0.00 H new ATOM 0 HG LEU A 41 10.441 14.911 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.962 16.832 -2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.290 17.239 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.950 17.796 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.408 15.166 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.414 16.070 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.061 14.357 0.264 1.00 0.00 H new ATOM 265 N HIS A 42 6.089 14.065 -1.172 1.00 0.00 N ATOM 266 CA HIS A 42 4.855 13.676 -0.507 1.00 0.00 C ATOM 267 C HIS A 42 4.503 12.217 -0.822 1.00 0.00 C ATOM 268 O HIS A 42 3.545 11.939 -1.538 1.00 0.00 O ATOM 269 CB HIS A 42 3.704 14.594 -0.929 1.00 0.00 C ATOM 270 CG HIS A 42 2.915 15.134 0.224 1.00 0.00 C ATOM 271 ND1 HIS A 42 3.457 15.968 1.181 1.00 0.00 N ATOM 272 CD2 HIS A 42 1.624 14.963 0.571 1.00 0.00 C ATOM 273 CE1 HIS A 42 2.527 16.278 2.068 1.00 0.00 C ATOM 274 NE2 HIS A 42 1.409 15.685 1.720 1.00 0.00 N ATOM 0 H HIS A 42 6.489 13.346 -1.775 1.00 0.00 H new ATOM 0 HA HIS A 42 5.007 13.773 0.568 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.107 15.427 -1.505 1.00 0.00 H new ATOM 0 HB3 HIS A 42 3.035 14.044 -1.590 1.00 0.00 H new ATOM 0 HD1 HIS A 42 4.423 16.294 1.201 1.00 0.00 H new ATOM 0 HD2 HIS A 42 0.893 14.368 0.043 1.00 0.00 H new ATOM 0 HE1 HIS A 42 2.664 16.911 2.932 1.00 0.00 H new ATOM 283 N SER A 43 5.294 11.295 -0.281 1.00 0.00 N ATOM 284 CA SER A 43 5.074 9.871 -0.504 1.00 0.00 C ATOM 285 C SER A 43 4.493 9.215 0.739 1.00 0.00 C ATOM 286 O SER A 43 4.721 8.027 0.993 1.00 0.00 O ATOM 287 CB SER A 43 6.391 9.192 -0.890 1.00 0.00 C ATOM 288 OG SER A 43 7.277 9.129 0.211 1.00 0.00 O ATOM 0 H SER A 43 6.093 11.509 0.315 1.00 0.00 H new ATOM 0 HA SER A 43 4.360 9.755 -1.319 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.190 8.185 -1.256 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.860 9.741 -1.707 1.00 0.00 H new ATOM 0 HG SER A 43 8.109 8.689 -0.063 1.00 0.00 H new ATOM 294 N LYS A 44 3.726 9.978 1.512 1.00 0.00 N ATOM 295 CA LYS A 44 3.113 9.471 2.727 1.00 0.00 C ATOM 296 C LYS A 44 2.152 8.319 2.410 1.00 0.00 C ATOM 297 O LYS A 44 2.076 7.346 3.153 1.00 0.00 O ATOM 298 CB LYS A 44 2.357 10.585 3.453 1.00 0.00 C ATOM 299 CG LYS A 44 1.699 10.138 4.748 1.00 0.00 C ATOM 300 CD LYS A 44 2.543 10.500 5.960 1.00 0.00 C ATOM 301 CE LYS A 44 2.754 9.306 6.874 1.00 0.00 C ATOM 302 NZ LYS A 44 3.565 8.242 6.222 1.00 0.00 N ATOM 0 H LYS A 44 3.515 10.956 1.313 1.00 0.00 H new ATOM 0 HA LYS A 44 3.908 9.100 3.374 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.049 11.399 3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.592 10.986 2.787 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.717 10.602 4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.541 9.060 4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.509 10.881 5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.057 11.302 6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.251 9.632 7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.787 8.897 7.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.984 7.629 6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.956 7.674 5.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.323 8.679 5.660 1.00 0.00 H new ATOM 316 N ASN A 45 1.431 8.448 1.302 1.00 0.00 N ATOM 317 CA ASN A 45 0.482 7.427 0.885 1.00 0.00 C ATOM 318 C ASN A 45 1.205 6.171 0.413 1.00 0.00 C ATOM 319 O ASN A 45 0.900 5.066 0.855 1.00 0.00 O ATOM 320 CB ASN A 45 -0.418 7.961 -0.230 1.00 0.00 C ATOM 321 CG ASN A 45 -1.499 6.987 -0.624 1.00 0.00 C ATOM 322 OD1 ASN A 45 -1.268 5.779 -0.695 1.00 0.00 O ATOM 323 ND2 ASN A 45 -2.695 7.503 -0.885 1.00 0.00 N ATOM 0 H ASN A 45 1.487 9.252 0.677 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.134 7.167 1.746 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.877 8.894 0.095 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.192 8.193 -1.103 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.466 6.892 -1.156 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.843 8.510 -0.814 1.00 0.00 H new ATOM 330 N MET A 46 2.164 6.347 -0.489 1.00 0.00 N ATOM 331 CA MET A 46 2.930 5.224 -1.023 1.00 0.00 C ATOM 332 C MET A 46 3.583 4.428 0.099 1.00 0.00 C ATOM 333 O MET A 46 3.426 3.214 0.186 1.00 0.00 O ATOM 334 CB MET A 46 4.002 5.725 -1.988 1.00 0.00 C ATOM 335 CG MET A 46 4.806 4.613 -2.640 1.00 0.00 C ATOM 336 SD MET A 46 6.532 5.058 -2.899 1.00 0.00 S ATOM 337 CE MET A 46 6.848 4.281 -4.482 1.00 0.00 C ATOM 0 H MET A 46 2.431 7.256 -0.867 1.00 0.00 H new ATOM 0 HA MET A 46 2.240 4.571 -1.558 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.527 6.322 -2.766 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.682 6.386 -1.450 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.755 3.721 -2.016 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.354 4.358 -3.598 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.920 4.120 -4.601 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.330 3.323 -4.527 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.487 4.926 -5.283 1.00 0.00 H new ATOM 347 N LYS A 47 4.325 5.127 0.955 1.00 0.00 N ATOM 348 CA LYS A 47 5.004 4.483 2.070 1.00 0.00 C ATOM 349 C LYS A 47 4.012 3.799 3.003 1.00 0.00 C ATOM 350 O LYS A 47 4.369 2.871 3.727 1.00 0.00 O ATOM 351 CB LYS A 47 5.825 5.510 2.849 1.00 0.00 C ATOM 352 CG LYS A 47 7.187 4.996 3.290 1.00 0.00 C ATOM 353 CD LYS A 47 8.307 5.542 2.410 1.00 0.00 C ATOM 354 CE LYS A 47 8.251 4.939 1.014 1.00 0.00 C ATOM 355 NZ LYS A 47 9.160 3.768 0.877 1.00 0.00 N ATOM 0 H LYS A 47 4.469 6.135 0.896 1.00 0.00 H new ATOM 0 HA LYS A 47 5.668 3.721 1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.964 6.396 2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.261 5.821 3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.366 5.282 4.326 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.194 3.907 3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.226 6.627 2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.272 5.322 2.866 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.229 4.633 0.792 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.523 5.697 0.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.092 3.387 -0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.139 4.065 1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.885 3.033 1.560 1.00 0.00 H new ATOM 369 N ASN A 48 2.768 4.267 2.985 1.00 0.00 N ATOM 370 CA ASN A 48 1.726 3.697 3.834 1.00 0.00 C ATOM 371 C ASN A 48 1.325 2.304 3.356 1.00 0.00 C ATOM 372 O ASN A 48 1.053 1.417 4.163 1.00 0.00 O ATOM 373 CB ASN A 48 0.501 4.613 3.855 1.00 0.00 C ATOM 374 CG ASN A 48 -0.370 4.384 5.074 1.00 0.00 C ATOM 375 OD1 ASN A 48 -0.321 3.323 5.697 1.00 0.00 O ATOM 376 ND2 ASN A 48 -1.176 5.382 5.421 1.00 0.00 N ATOM 0 H ASN A 48 2.457 5.038 2.394 1.00 0.00 H new ATOM 0 HA ASN A 48 2.127 3.609 4.844 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.828 5.653 3.835 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.089 4.447 2.954 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.786 5.286 6.232 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.184 6.244 4.876 1.00 0.00 H new ATOM 383 N VAL A 49 1.288 2.119 2.040 1.00 0.00 N ATOM 384 CA VAL A 49 0.916 0.833 1.461 1.00 0.00 C ATOM 385 C VAL A 49 2.037 -0.188 1.620 1.00 0.00 C ATOM 386 O VAL A 49 1.802 -1.320 2.044 1.00 0.00 O ATOM 387 CB VAL A 49 0.567 0.961 -0.033 1.00 0.00 C ATOM 388 CG1 VAL A 49 -0.002 -0.348 -0.560 1.00 0.00 C ATOM 389 CG2 VAL A 49 -0.410 2.106 -0.260 1.00 0.00 C ATOM 0 H VAL A 49 1.511 2.842 1.356 1.00 0.00 H new ATOM 0 HA VAL A 49 0.034 0.492 2.003 1.00 0.00 H new ATOM 0 HB VAL A 49 1.481 1.183 -0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.243 -0.240 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.735 -1.141 -0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.906 -0.601 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.644 2.180 -1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.326 1.920 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.039 3.040 0.078 1.00 0.00 H new ATOM 399 N ILE A 50 3.254 0.215 1.272 1.00 0.00 N ATOM 400 CA ILE A 50 4.408 -0.668 1.374 1.00 0.00 C ATOM 401 C ILE A 50 4.586 -1.180 2.801 1.00 0.00 C ATOM 402 O ILE A 50 4.999 -2.318 3.015 1.00 0.00 O ATOM 403 CB ILE A 50 5.701 0.043 0.925 1.00 0.00 C ATOM 404 CG1 ILE A 50 6.878 -0.935 0.926 1.00 0.00 C ATOM 405 CG2 ILE A 50 5.991 1.237 1.823 1.00 0.00 C ATOM 406 CD1 ILE A 50 7.267 -1.413 -0.456 1.00 0.00 C ATOM 0 H ILE A 50 3.466 1.147 0.917 1.00 0.00 H new ATOM 0 HA ILE A 50 4.220 -1.513 0.712 1.00 0.00 H new ATOM 0 HB ILE A 50 5.561 0.407 -0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.739 -0.455 1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.623 -1.798 1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.907 1.727 1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.162 1.943 1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.112 0.898 2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.107 -2.103 -0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.420 -1.922 -0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.554 -0.559 -1.069 1.00 0.00 H new ATOM 418 N ASN A 51 4.272 -0.331 3.774 1.00 0.00 N ATOM 419 CA ASN A 51 4.399 -0.700 5.179 1.00 0.00 C ATOM 420 C ASN A 51 3.273 -1.641 5.600 1.00 0.00 C ATOM 421 O ASN A 51 3.504 -2.625 6.304 1.00 0.00 O ATOM 422 CB ASN A 51 4.394 0.552 6.060 1.00 0.00 C ATOM 423 CG ASN A 51 5.656 0.679 6.891 1.00 0.00 C ATOM 424 OD1 ASN A 51 6.617 1.333 6.485 1.00 0.00 O ATOM 425 ND2 ASN A 51 5.660 0.052 8.061 1.00 0.00 N ATOM 0 H ASN A 51 3.928 0.616 3.616 1.00 0.00 H new ATOM 0 HA ASN A 51 5.348 -1.221 5.308 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.286 1.435 5.431 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.528 0.524 6.721 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.482 0.101 8.663 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.841 -0.479 8.358 1.00 0.00 H new ATOM 432 N ASN A 52 2.055 -1.332 5.166 1.00 0.00 N ATOM 433 CA ASN A 52 0.896 -2.151 5.500 1.00 0.00 C ATOM 434 C ASN A 52 0.922 -3.470 4.737 1.00 0.00 C ATOM 435 O ASN A 52 0.830 -4.545 5.331 1.00 0.00 O ATOM 436 CB ASN A 52 -0.398 -1.394 5.193 1.00 0.00 C ATOM 437 CG ASN A 52 -0.710 -0.338 6.236 1.00 0.00 C ATOM 438 OD1 ASN A 52 -0.669 0.859 5.955 1.00 0.00 O ATOM 439 ND2 ASN A 52 -1.023 -0.779 7.448 1.00 0.00 N ATOM 0 H ASN A 52 1.846 -0.522 4.583 1.00 0.00 H new ATOM 0 HA ASN A 52 0.935 -2.370 6.567 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.316 -0.921 4.214 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.225 -2.101 5.137 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.242 -0.116 8.191 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.045 -1.781 7.636 1.00 0.00 H new ATOM 446 N ALA A 53 1.048 -3.382 3.417 1.00 0.00 N ATOM 447 CA ALA A 53 1.088 -4.570 2.573 1.00 0.00 C ATOM 448 C ALA A 53 2.205 -5.517 3.007 1.00 0.00 C ATOM 449 O ALA A 53 2.107 -6.731 2.829 1.00 0.00 O ATOM 450 CB ALA A 53 1.267 -4.173 1.115 1.00 0.00 C ATOM 0 H ALA A 53 1.124 -2.501 2.909 1.00 0.00 H new ATOM 0 HA ALA A 53 0.140 -5.096 2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.295 -5.069 0.495 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.433 -3.543 0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.201 -3.622 1.000 1.00 0.00 H new ATOM 456 N LYS A 54 3.264 -4.953 3.582 1.00 0.00 N ATOM 457 CA LYS A 54 4.396 -5.749 4.043 1.00 0.00 C ATOM 458 C LYS A 54 4.080 -6.422 5.373 1.00 0.00 C ATOM 459 O LYS A 54 4.313 -7.619 5.543 1.00 0.00 O ATOM 460 CB LYS A 54 5.642 -4.874 4.185 1.00 0.00 C ATOM 461 CG LYS A 54 6.436 -4.734 2.896 1.00 0.00 C ATOM 462 CD LYS A 54 7.743 -3.989 3.123 1.00 0.00 C ATOM 463 CE LYS A 54 8.922 -4.944 3.199 1.00 0.00 C ATOM 464 NZ LYS A 54 9.031 -5.790 1.979 1.00 0.00 N ATOM 0 H LYS A 54 3.361 -3.950 3.739 1.00 0.00 H new ATOM 0 HA LYS A 54 4.589 -6.523 3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.343 -3.883 4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.287 -5.297 4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.646 -5.723 2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.838 -4.204 2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.902 -3.276 2.314 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.679 -3.414 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.842 -4.375 3.329 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.816 -5.583 4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.033 -5.988 1.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.524 -6.685 2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.612 -5.288 1.170 1.00 0.00 H new ATOM 478 N LYS A 55 3.548 -5.648 6.314 1.00 0.00 N ATOM 479 CA LYS A 55 3.200 -6.176 7.628 1.00 0.00 C ATOM 480 C LYS A 55 2.252 -7.363 7.498 1.00 0.00 C ATOM 481 O LYS A 55 2.408 -8.372 8.185 1.00 0.00 O ATOM 482 CB LYS A 55 2.558 -5.085 8.488 1.00 0.00 C ATOM 483 CG LYS A 55 2.704 -5.325 9.983 1.00 0.00 C ATOM 484 CD LYS A 55 3.378 -4.151 10.676 1.00 0.00 C ATOM 485 CE LYS A 55 2.358 -3.200 11.281 1.00 0.00 C ATOM 486 NZ LYS A 55 1.976 -2.118 10.332 1.00 0.00 N ATOM 0 H LYS A 55 3.349 -4.655 6.191 1.00 0.00 H new ATOM 0 HA LYS A 55 4.116 -6.514 8.112 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.007 -4.124 8.237 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.499 -5.016 8.241 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.721 -5.492 10.423 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.287 -6.231 10.151 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.041 -4.521 11.458 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.999 -3.613 9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.468 -3.759 11.572 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.768 -2.758 12.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.279 -1.491 10.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.820 -1.568 10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.561 -2.538 9.476 1.00 0.00 H new ATOM 500 N ASN A 56 1.278 -7.238 6.604 1.00 0.00 N ATOM 501 CA ASN A 56 0.314 -8.307 6.376 1.00 0.00 C ATOM 502 C ASN A 56 1.013 -9.534 5.803 1.00 0.00 C ATOM 503 O ASN A 56 1.037 -10.595 6.429 1.00 0.00 O ATOM 504 CB ASN A 56 -0.787 -7.838 5.424 1.00 0.00 C ATOM 505 CG ASN A 56 -1.414 -6.529 5.865 1.00 0.00 C ATOM 506 OD1 ASN A 56 -1.387 -6.182 7.046 1.00 0.00 O ATOM 507 ND2 ASN A 56 -1.981 -5.796 4.914 1.00 0.00 N ATOM 0 H ASN A 56 1.135 -6.409 6.027 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.140 -8.573 7.331 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.372 -7.720 4.423 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.559 -8.604 5.360 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.418 -4.905 5.149 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.979 -6.124 3.948 1.00 0.00 H new ATOM 514 N LEU A 57 1.591 -9.376 4.612 1.00 0.00 N ATOM 515 CA LEU A 57 2.305 -10.462 3.944 1.00 0.00 C ATOM 516 C LEU A 57 3.206 -11.208 4.921 1.00 0.00 C ATOM 517 O LEU A 57 3.107 -12.428 5.080 1.00 0.00 O ATOM 518 CB LEU A 57 3.153 -9.905 2.799 1.00 0.00 C ATOM 519 CG LEU A 57 2.392 -9.620 1.505 1.00 0.00 C ATOM 520 CD1 LEU A 57 2.957 -8.386 0.816 1.00 0.00 C ATOM 521 CD2 LEU A 57 2.448 -10.825 0.578 1.00 0.00 C ATOM 0 H LEU A 57 1.578 -8.501 4.088 1.00 0.00 H new ATOM 0 HA LEU A 57 1.565 -11.158 3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.626 -8.982 3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.953 -10.613 2.583 1.00 0.00 H new ATOM 0 HG LEU A 57 1.348 -9.427 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.404 -8.197 -0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.864 -7.525 1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.008 -8.551 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.901 -10.605 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.487 -11.050 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.996 -11.685 1.072 1.00 0.00 H new ATOM 533 N GLU A 58 4.088 -10.460 5.573 1.00 0.00 N ATOM 534 CA GLU A 58 5.015 -11.034 6.537 1.00 0.00 C ATOM 535 C GLU A 58 4.271 -11.808 7.617 1.00 0.00 C ATOM 536 O GLU A 58 4.718 -12.865 8.054 1.00 0.00 O ATOM 537 CB GLU A 58 5.872 -9.937 7.171 1.00 0.00 C ATOM 538 CG GLU A 58 6.778 -9.225 6.180 1.00 0.00 C ATOM 539 CD GLU A 58 8.219 -9.157 6.649 1.00 0.00 C ATOM 540 OE1 GLU A 58 8.465 -8.578 7.728 1.00 0.00 O ATOM 541 OE2 GLU A 58 9.100 -9.684 5.938 1.00 0.00 O ATOM 0 H GLU A 58 4.180 -9.452 5.450 1.00 0.00 H new ATOM 0 HA GLU A 58 5.666 -11.729 6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.218 -9.204 7.644 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.483 -10.375 7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.736 -9.741 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.406 -8.214 6.015 1.00 0.00 H new ATOM 548 N LYS A 59 3.133 -11.281 8.044 1.00 0.00 N ATOM 549 CA LYS A 59 2.335 -11.935 9.072 1.00 0.00 C ATOM 550 C LYS A 59 1.929 -13.342 8.638 1.00 0.00 C ATOM 551 O LYS A 59 1.655 -14.203 9.474 1.00 0.00 O ATOM 552 CB LYS A 59 1.090 -11.104 9.384 1.00 0.00 C ATOM 553 CG LYS A 59 0.775 -11.011 10.869 1.00 0.00 C ATOM 554 CD LYS A 59 0.387 -9.597 11.271 1.00 0.00 C ATOM 555 CE LYS A 59 -1.111 -9.370 11.133 1.00 0.00 C ATOM 556 NZ LYS A 59 -1.588 -9.643 9.749 1.00 0.00 N ATOM 0 H LYS A 59 2.742 -10.405 7.696 1.00 0.00 H new ATOM 0 HA LYS A 59 2.944 -12.017 9.972 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.226 -10.098 8.987 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.235 -11.538 8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.038 -11.695 11.113 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.643 -11.329 11.446 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.690 -9.414 12.302 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.924 -8.880 10.649 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.642 -10.014 11.834 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.349 -8.341 11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.458 -9.103 9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.856 -9.358 9.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.783 -10.659 9.643 1.00 0.00 H new ATOM 570 N TYR A 60 1.882 -13.569 7.328 1.00 0.00 N ATOM 571 CA TYR A 60 1.493 -14.872 6.794 1.00 0.00 C ATOM 572 C TYR A 60 2.656 -15.860 6.778 1.00 0.00 C ATOM 573 O TYR A 60 2.543 -16.964 7.311 1.00 0.00 O ATOM 574 CB TYR A 60 0.933 -14.721 5.379 1.00 0.00 C ATOM 575 CG TYR A 60 -0.333 -13.900 5.313 1.00 0.00 C ATOM 576 CD1 TYR A 60 -1.577 -14.486 5.502 1.00 0.00 C ATOM 577 CD2 TYR A 60 -0.281 -12.538 5.059 1.00 0.00 C ATOM 578 CE1 TYR A 60 -2.736 -13.736 5.441 1.00 0.00 C ATOM 579 CE2 TYR A 60 -1.433 -11.779 4.995 1.00 0.00 C ATOM 580 CZ TYR A 60 -2.659 -12.382 5.187 1.00 0.00 C ATOM 581 OH TYR A 60 -3.810 -11.630 5.124 1.00 0.00 O ATOM 0 H TYR A 60 2.107 -12.871 6.619 1.00 0.00 H new ATOM 0 HA TYR A 60 0.724 -15.270 7.456 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.690 -14.258 4.746 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.736 -15.711 4.968 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.640 -15.546 5.700 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.677 -12.062 4.909 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.696 -14.207 5.591 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.375 -10.719 4.796 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.512 -12.143 4.671 1.00 0.00 H new ATOM 591 N PHE A 61 3.765 -15.478 6.151 1.00 0.00 N ATOM 592 CA PHE A 61 4.924 -16.371 6.064 1.00 0.00 C ATOM 593 C PHE A 61 5.815 -16.267 7.296 1.00 0.00 C ATOM 594 O PHE A 61 6.498 -17.223 7.660 1.00 0.00 O ATOM 595 CB PHE A 61 5.742 -16.094 4.797 1.00 0.00 C ATOM 596 CG PHE A 61 6.412 -14.748 4.773 1.00 0.00 C ATOM 597 CD1 PHE A 61 7.492 -14.481 5.602 1.00 0.00 C ATOM 598 CD2 PHE A 61 5.971 -13.756 3.913 1.00 0.00 C ATOM 599 CE1 PHE A 61 8.115 -13.248 5.573 1.00 0.00 C ATOM 600 CE2 PHE A 61 6.593 -12.521 3.879 1.00 0.00 C ATOM 601 CZ PHE A 61 7.666 -12.267 4.711 1.00 0.00 C ATOM 0 H PHE A 61 3.889 -14.571 5.701 1.00 0.00 H new ATOM 0 HA PHE A 61 4.536 -17.388 6.015 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.503 -16.867 4.694 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.086 -16.175 3.930 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.849 -15.245 6.277 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.132 -13.949 3.261 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.953 -13.051 6.225 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.240 -11.756 3.203 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.153 -11.303 4.687 1.00 0.00 H new ATOM 611 N LYS A 62 5.814 -15.106 7.932 1.00 0.00 N ATOM 612 CA LYS A 62 6.633 -14.893 9.122 1.00 0.00 C ATOM 613 C LYS A 62 5.898 -15.318 10.391 1.00 0.00 C ATOM 614 O LYS A 62 6.507 -15.858 11.314 1.00 0.00 O ATOM 615 CB LYS A 62 7.055 -13.426 9.228 1.00 0.00 C ATOM 616 CG LYS A 62 8.487 -13.238 9.703 1.00 0.00 C ATOM 617 CD LYS A 62 8.687 -11.875 10.345 1.00 0.00 C ATOM 618 CE LYS A 62 9.251 -10.870 9.353 1.00 0.00 C ATOM 619 NZ LYS A 62 10.463 -11.391 8.665 1.00 0.00 N ATOM 0 H LYS A 62 5.259 -14.298 7.648 1.00 0.00 H new ATOM 0 HA LYS A 62 7.523 -15.514 9.023 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.939 -12.952 8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.383 -12.912 9.915 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.739 -14.019 10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.169 -13.347 8.859 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.735 -11.511 10.732 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.363 -11.968 11.195 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.490 -10.625 8.612 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.498 -9.945 9.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.066 -10.595 8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.993 -12.007 9.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.179 -11.936 7.826 1.00 0.00 H new ATOM 633 N GLU A 63 4.592 -15.068 10.440 1.00 0.00 N ATOM 634 CA GLU A 63 3.796 -15.424 11.611 1.00 0.00 C ATOM 635 C GLU A 63 3.073 -16.754 11.412 1.00 0.00 C ATOM 636 O GLU A 63 3.159 -17.646 12.256 1.00 0.00 O ATOM 637 CB GLU A 63 2.786 -14.318 11.925 1.00 0.00 C ATOM 638 CG GLU A 63 2.769 -13.910 13.389 1.00 0.00 C ATOM 639 CD GLU A 63 1.524 -13.131 13.764 1.00 0.00 C ATOM 640 OE1 GLU A 63 0.437 -13.465 13.247 1.00 0.00 O ATOM 641 OE2 GLU A 63 1.635 -12.184 14.572 1.00 0.00 O ATOM 0 H GLU A 63 4.066 -14.623 9.688 1.00 0.00 H new ATOM 0 HA GLU A 63 4.478 -15.535 12.454 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.015 -13.444 11.315 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.790 -14.655 11.638 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.836 -14.802 14.012 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.650 -13.305 13.604 1.00 0.00 H new ATOM 648 N HIS A 64 2.353 -16.880 10.300 1.00 0.00 N ATOM 649 CA HIS A 64 1.613 -18.104 10.011 1.00 0.00 C ATOM 650 C HIS A 64 2.458 -19.102 9.224 1.00 0.00 C ATOM 651 O HIS A 64 1.950 -20.117 8.746 1.00 0.00 O ATOM 652 CB HIS A 64 0.329 -17.783 9.242 1.00 0.00 C ATOM 653 CG HIS A 64 -0.544 -16.780 9.930 1.00 0.00 C ATOM 654 ND1 HIS A 64 -1.755 -16.361 9.422 1.00 0.00 N ATOM 655 CD2 HIS A 64 -0.375 -16.111 11.096 1.00 0.00 C ATOM 656 CE1 HIS A 64 -2.294 -15.478 10.245 1.00 0.00 C ATOM 657 NE2 HIS A 64 -1.476 -15.309 11.267 1.00 0.00 N ATOM 0 H HIS A 64 2.267 -16.154 9.589 1.00 0.00 H new ATOM 0 HA HIS A 64 1.355 -18.563 10.965 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.591 -17.407 8.253 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.236 -18.703 9.093 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.468 -16.193 11.766 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.242 -14.980 10.105 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -1.636 -14.683 12.057 1.00 0.00 H new ATOM 666 N PHE A 65 3.749 -18.812 9.101 1.00 0.00 N ATOM 667 CA PHE A 65 4.677 -19.683 8.381 1.00 0.00 C ATOM 668 C PHE A 65 4.072 -20.190 7.072 1.00 0.00 C ATOM 669 O PHE A 65 4.340 -21.314 6.649 1.00 0.00 O ATOM 670 CB PHE A 65 5.079 -20.866 9.263 1.00 0.00 C ATOM 671 CG PHE A 65 6.486 -21.337 9.029 1.00 0.00 C ATOM 672 CD1 PHE A 65 7.554 -20.465 9.166 1.00 0.00 C ATOM 673 CD2 PHE A 65 6.741 -22.651 8.673 1.00 0.00 C ATOM 674 CE1 PHE A 65 8.850 -20.895 8.953 1.00 0.00 C ATOM 675 CE2 PHE A 65 8.034 -23.088 8.458 1.00 0.00 C ATOM 676 CZ PHE A 65 9.090 -22.208 8.598 1.00 0.00 C ATOM 0 H PHE A 65 4.181 -17.975 9.493 1.00 0.00 H new ATOM 0 HA PHE A 65 5.562 -19.096 8.136 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.969 -20.583 10.310 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.393 -21.693 9.083 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.372 -19.437 9.443 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.919 -23.343 8.562 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.674 -20.205 9.064 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.219 -24.115 8.181 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.102 -22.546 8.430 1.00 0.00 H new ATOM 686 N LYS A 66 3.256 -19.353 6.439 1.00 0.00 N ATOM 687 CA LYS A 66 2.615 -19.719 5.181 1.00 0.00 C ATOM 688 C LYS A 66 2.713 -18.582 4.167 1.00 0.00 C ATOM 689 O LYS A 66 2.858 -17.418 4.538 1.00 0.00 O ATOM 690 CB LYS A 66 1.148 -20.078 5.419 1.00 0.00 C ATOM 691 CG LYS A 66 0.354 -18.972 6.096 1.00 0.00 C ATOM 692 CD LYS A 66 -1.044 -18.848 5.509 1.00 0.00 C ATOM 693 CE LYS A 66 -2.083 -19.511 6.398 1.00 0.00 C ATOM 694 NZ LYS A 66 -1.972 -20.995 6.371 1.00 0.00 N ATOM 0 H LYS A 66 3.023 -18.419 6.776 1.00 0.00 H new ATOM 0 HA LYS A 66 3.135 -20.587 4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.681 -20.317 4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.097 -20.978 6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.284 -19.175 7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.881 -18.024 5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.293 -17.795 5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.066 -19.304 4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.964 -19.157 7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.081 -19.216 6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.698 -21.409 6.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.111 -21.336 5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.029 -21.279 6.706 1.00 0.00 H new ATOM 708 N GLU A 67 2.633 -18.929 2.887 1.00 0.00 N ATOM 709 CA GLU A 67 2.712 -17.938 1.820 1.00 0.00 C ATOM 710 C GLU A 67 1.353 -17.747 1.156 1.00 0.00 C ATOM 711 O GLU A 67 1.009 -18.454 0.209 1.00 0.00 O ATOM 712 CB GLU A 67 3.747 -18.362 0.777 1.00 0.00 C ATOM 713 CG GLU A 67 5.159 -18.468 1.329 1.00 0.00 C ATOM 714 CD GLU A 67 5.990 -19.511 0.606 1.00 0.00 C ATOM 715 OE1 GLU A 67 5.419 -20.541 0.189 1.00 0.00 O ATOM 716 OE2 GLU A 67 7.212 -19.297 0.458 1.00 0.00 O ATOM 0 H GLU A 67 2.514 -19.889 2.563 1.00 0.00 H new ATOM 0 HA GLU A 67 3.019 -16.989 2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.456 -19.326 0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.739 -17.644 -0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.650 -17.498 1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.113 -18.716 2.389 1.00 0.00 H new ATOM 723 N PHE A 68 0.583 -16.788 1.660 1.00 0.00 N ATOM 724 CA PHE A 68 -0.741 -16.506 1.116 1.00 0.00 C ATOM 725 C PHE A 68 -1.110 -15.039 1.309 1.00 0.00 C ATOM 726 O PHE A 68 -0.501 -14.336 2.117 1.00 0.00 O ATOM 727 CB PHE A 68 -1.790 -17.396 1.785 1.00 0.00 C ATOM 728 CG PHE A 68 -1.917 -18.753 1.155 1.00 0.00 C ATOM 729 CD1 PHE A 68 -2.790 -18.965 0.100 1.00 0.00 C ATOM 730 CD2 PHE A 68 -1.164 -19.820 1.620 1.00 0.00 C ATOM 731 CE1 PHE A 68 -2.910 -20.213 -0.479 1.00 0.00 C ATOM 732 CE2 PHE A 68 -1.279 -21.071 1.044 1.00 0.00 C ATOM 733 CZ PHE A 68 -2.153 -21.268 -0.007 1.00 0.00 C ATOM 0 H PHE A 68 0.853 -16.193 2.444 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.718 -16.719 0.047 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.535 -17.516 2.838 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.757 -16.895 1.747 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.384 -18.144 -0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.479 -19.672 2.442 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.595 -20.364 -1.300 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.686 -21.894 1.415 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.245 -22.245 -0.459 1.00 0.00 H new ATOM 743 N ASP A 69 -2.112 -14.585 0.565 1.00 0.00 N ATOM 744 CA ASP A 69 -2.570 -13.202 0.653 1.00 0.00 C ATOM 745 C ASP A 69 -1.471 -12.229 0.234 1.00 0.00 C ATOM 746 O ASP A 69 -0.649 -11.815 1.051 1.00 0.00 O ATOM 747 CB ASP A 69 -3.031 -12.886 2.079 1.00 0.00 C ATOM 748 CG ASP A 69 -4.541 -12.882 2.209 1.00 0.00 C ATOM 749 OD1 ASP A 69 -5.217 -12.420 1.265 1.00 0.00 O ATOM 750 OD2 ASP A 69 -5.049 -13.338 3.255 1.00 0.00 O ATOM 0 H ASP A 69 -2.624 -15.155 -0.108 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.410 -13.083 -0.031 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.612 -13.622 2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.641 -11.913 2.377 1.00 0.00 H new ATOM 755 N LYS A 70 -1.468 -11.864 -1.044 1.00 0.00 N ATOM 756 CA LYS A 70 -0.477 -10.933 -1.573 1.00 0.00 C ATOM 757 C LYS A 70 -1.120 -9.584 -1.876 1.00 0.00 C ATOM 758 O LYS A 70 -2.332 -9.500 -2.084 1.00 0.00 O ATOM 759 CB LYS A 70 0.166 -11.501 -2.839 1.00 0.00 C ATOM 760 CG LYS A 70 1.349 -12.418 -2.562 1.00 0.00 C ATOM 761 CD LYS A 70 1.265 -13.700 -3.374 1.00 0.00 C ATOM 762 CE LYS A 70 2.585 -14.453 -3.364 1.00 0.00 C ATOM 763 NZ LYS A 70 2.870 -15.094 -4.677 1.00 0.00 N ATOM 0 H LYS A 70 -2.141 -12.199 -1.733 1.00 0.00 H new ATOM 0 HA LYS A 70 0.297 -10.791 -0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.586 -12.052 -3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.496 -10.676 -3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.277 -11.897 -2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.381 -12.661 -1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.478 -14.337 -2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.987 -13.464 -4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.393 -13.766 -3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.562 -15.216 -2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.779 -15.597 -4.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.113 -15.769 -4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.918 -14.364 -5.416 1.00 0.00 H new ATOM 777 N ILE A 71 -0.312 -8.529 -1.892 1.00 0.00 N ATOM 778 CA ILE A 71 -0.825 -7.192 -2.163 1.00 0.00 C ATOM 779 C ILE A 71 0.042 -6.445 -3.166 1.00 0.00 C ATOM 780 O ILE A 71 1.260 -6.609 -3.204 1.00 0.00 O ATOM 781 CB ILE A 71 -0.936 -6.354 -0.877 1.00 0.00 C ATOM 782 CG1 ILE A 71 -1.649 -7.156 0.210 1.00 0.00 C ATOM 783 CG2 ILE A 71 -1.677 -5.054 -1.156 1.00 0.00 C ATOM 784 CD1 ILE A 71 -0.728 -7.637 1.311 1.00 0.00 C ATOM 0 H ILE A 71 0.693 -8.573 -1.722 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.819 -7.330 -2.587 1.00 0.00 H new ATOM 0 HB ILE A 71 0.067 -6.109 -0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.434 -6.540 0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.137 -8.017 -0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.748 -4.471 -0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.135 -4.481 -1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.679 -5.278 -1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.303 -8.199 2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.043 -8.280 0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.260 -6.779 1.794 1.00 0.00 H new ATOM 796 N SER A 72 -0.612 -5.622 -3.974 1.00 0.00 N ATOM 797 CA SER A 72 0.069 -4.832 -4.989 1.00 0.00 C ATOM 798 C SER A 72 -0.503 -3.419 -5.034 1.00 0.00 C ATOM 799 O SER A 72 -1.721 -3.234 -5.039 1.00 0.00 O ATOM 800 CB SER A 72 -0.074 -5.503 -6.353 1.00 0.00 C ATOM 801 OG SER A 72 1.103 -5.347 -7.126 1.00 0.00 O ATOM 0 H SER A 72 -1.622 -5.484 -3.945 1.00 0.00 H new ATOM 0 HA SER A 72 1.127 -4.769 -4.734 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.286 -6.564 -6.219 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.922 -5.073 -6.886 1.00 0.00 H new ATOM 0 HG SER A 72 0.985 -5.787 -7.994 1.00 0.00 H new ATOM 807 N TYR A 73 0.376 -2.422 -5.060 1.00 0.00 N ATOM 808 CA TYR A 73 -0.056 -1.031 -5.098 1.00 0.00 C ATOM 809 C TYR A 73 0.713 -0.242 -6.154 1.00 0.00 C ATOM 810 O TYR A 73 1.805 -0.636 -6.565 1.00 0.00 O ATOM 811 CB TYR A 73 0.124 -0.385 -3.722 1.00 0.00 C ATOM 812 CG TYR A 73 1.568 -0.138 -3.346 1.00 0.00 C ATOM 813 CD1 TYR A 73 2.390 -1.182 -2.937 1.00 0.00 C ATOM 814 CD2 TYR A 73 2.110 1.140 -3.400 1.00 0.00 C ATOM 815 CE1 TYR A 73 3.709 -0.958 -2.594 1.00 0.00 C ATOM 816 CE2 TYR A 73 3.429 1.371 -3.060 1.00 0.00 C ATOM 817 CZ TYR A 73 4.224 0.319 -2.658 1.00 0.00 C ATOM 818 OH TYR A 73 5.539 0.546 -2.318 1.00 0.00 O ATOM 0 H TYR A 73 1.388 -2.551 -5.055 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.112 -1.013 -5.366 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.414 0.563 -3.703 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.333 -1.026 -2.968 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.991 -2.184 -2.887 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.490 1.967 -3.713 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.334 -1.780 -2.277 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.835 2.371 -3.109 1.00 0.00 H new ATOM 0 HH TYR A 73 5.743 1.499 -2.419 1.00 0.00 H new ATOM 828 N ASP A 74 0.135 0.873 -6.587 1.00 0.00 N ATOM 829 CA ASP A 74 0.762 1.722 -7.594 1.00 0.00 C ATOM 830 C ASP A 74 0.238 3.152 -7.498 1.00 0.00 C ATOM 831 O ASP A 74 -0.877 3.385 -7.031 1.00 0.00 O ATOM 832 CB ASP A 74 0.504 1.163 -8.994 1.00 0.00 C ATOM 833 CG ASP A 74 1.426 1.768 -10.036 1.00 0.00 C ATOM 834 OD1 ASP A 74 2.607 1.366 -10.086 1.00 0.00 O ATOM 835 OD2 ASP A 74 0.966 2.642 -10.800 1.00 0.00 O ATOM 0 H ASP A 74 -0.769 1.211 -6.256 1.00 0.00 H new ATOM 0 HA ASP A 74 1.836 1.734 -7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.636 0.081 -8.980 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.532 1.355 -9.274 1.00 0.00 H new ATOM 840 N ILE A 75 1.050 4.106 -7.943 1.00 0.00 N ATOM 841 CA ILE A 75 0.667 5.513 -7.905 1.00 0.00 C ATOM 842 C ILE A 75 0.243 6.005 -9.285 1.00 0.00 C ATOM 843 O ILE A 75 0.819 5.614 -10.300 1.00 0.00 O ATOM 844 CB ILE A 75 1.815 6.391 -7.388 1.00 0.00 C ATOM 845 CG1 ILE A 75 2.361 5.841 -6.069 1.00 0.00 C ATOM 846 CG2 ILE A 75 1.347 7.827 -7.214 1.00 0.00 C ATOM 847 CD1 ILE A 75 3.873 5.898 -5.968 1.00 0.00 C ATOM 0 H ILE A 75 1.976 3.931 -8.333 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.177 5.594 -7.220 1.00 0.00 H new ATOM 0 HB ILE A 75 2.619 6.376 -8.124 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.928 6.405 -5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.036 4.807 -5.954 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.173 8.437 -6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.006 8.217 -8.173 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.526 7.858 -6.497 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.189 5.492 -5.007 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.314 5.310 -6.773 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.204 6.933 -6.051 1.00 0.00 H new ATOM 859 N SER A 76 -0.770 6.866 -9.314 1.00 0.00 N ATOM 860 CA SER A 76 -1.275 7.411 -10.569 1.00 0.00 C ATOM 861 C SER A 76 -0.912 8.883 -10.700 1.00 0.00 C ATOM 862 O SER A 76 -1.401 9.730 -9.951 1.00 0.00 O ATOM 863 CB SER A 76 -2.788 7.241 -10.650 1.00 0.00 C ATOM 864 OG SER A 76 -3.208 7.063 -11.994 1.00 0.00 O ATOM 0 H SER A 76 -1.257 7.201 -8.483 1.00 0.00 H new ATOM 0 HA SER A 76 -0.812 6.863 -11.389 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.094 6.382 -10.053 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.279 8.116 -10.224 1.00 0.00 H new ATOM 0 HG SER A 76 -4.182 6.954 -12.021 1.00 0.00 H new ATOM 870 N THR A 77 -0.041 9.188 -11.657 1.00 0.00 N ATOM 871 CA THR A 77 0.393 10.561 -11.894 1.00 0.00 C ATOM 872 C THR A 77 -0.760 11.437 -12.374 1.00 0.00 C ATOM 873 O THR A 77 -1.132 12.401 -11.710 1.00 0.00 O ATOM 874 CB THR A 77 1.537 10.589 -12.911 1.00 0.00 C ATOM 875 OG1 THR A 77 1.587 9.383 -13.647 1.00 0.00 O ATOM 876 CG2 THR A 77 2.896 10.794 -12.279 1.00 0.00 C ATOM 0 H THR A 77 0.379 8.501 -12.283 1.00 0.00 H new ATOM 0 HA THR A 77 0.748 10.965 -10.946 1.00 0.00 H new ATOM 0 HB THR A 77 1.322 11.438 -13.559 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.324 9.424 -14.292 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.661 10.804 -13.056 1.00 0.00 H new ATOM 0 HG22 THR A 77 2.909 11.744 -11.745 1.00 0.00 H new ATOM 0 HG23 THR A 77 3.099 9.982 -11.580 1.00 0.00 H new ATOM 884 N PRO A 78 -1.352 11.107 -13.542 1.00 0.00 N ATOM 885 CA PRO A 78 -2.464 11.871 -14.103 1.00 0.00 C ATOM 886 C PRO A 78 -3.597 12.077 -13.102 1.00 0.00 C ATOM 887 O PRO A 78 -4.224 11.122 -12.653 1.00 0.00 O ATOM 888 CB PRO A 78 -2.941 11.017 -15.289 1.00 0.00 C ATOM 889 CG PRO A 78 -2.261 9.696 -15.141 1.00 0.00 C ATOM 890 CD PRO A 78 -0.984 9.970 -14.398 1.00 0.00 C ATOM 0 HA PRO A 78 -2.153 12.876 -14.389 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.025 10.902 -15.277 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.681 11.486 -16.238 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.888 8.993 -14.593 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.058 9.250 -16.115 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.662 9.109 -13.813 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.166 10.219 -15.074 1.00 0.00 H new ATOM 898 N ILE A 79 -3.846 13.340 -12.756 1.00 0.00 N ATOM 899 CA ILE A 79 -4.922 13.680 -11.801 1.00 0.00 C ATOM 900 C ILE A 79 -4.539 13.285 -10.378 1.00 0.00 C ATOM 901 O ILE A 79 -5.368 13.330 -9.466 1.00 0.00 O ATOM 902 CB ILE A 79 -6.246 12.975 -12.167 1.00 0.00 C ATOM 903 CG1 ILE A 79 -6.528 13.125 -13.665 1.00 0.00 C ATOM 904 CG2 ILE A 79 -7.391 13.544 -11.345 1.00 0.00 C ATOM 905 CD1 ILE A 79 -6.594 14.556 -14.127 1.00 0.00 C ATOM 0 H ILE A 79 -3.328 14.143 -13.113 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.061 14.760 -11.858 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.155 11.913 -11.938 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.750 12.607 -14.226 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.472 12.633 -13.899 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.318 13.038 -11.613 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.188 13.392 -10.285 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.489 14.611 -11.547 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.797 14.584 -15.198 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.391 15.074 -13.593 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.642 15.048 -13.925 1.00 0.00 H new ATOM 917 N ASN A 80 -3.281 12.890 -10.177 1.00 0.00 N ATOM 918 CA ASN A 80 -2.798 12.491 -8.859 1.00 0.00 C ATOM 919 C ASN A 80 -3.733 11.480 -8.204 1.00 0.00 C ATOM 920 O ASN A 80 -4.326 11.752 -7.164 1.00 0.00 O ATOM 921 CB ASN A 80 -2.641 13.723 -7.957 1.00 0.00 C ATOM 922 CG ASN A 80 -1.458 13.610 -7.027 1.00 0.00 C ATOM 923 OD1 ASN A 80 -0.589 14.486 -7.000 1.00 0.00 O ATOM 924 ND2 ASN A 80 -1.414 12.530 -6.255 1.00 0.00 N ATOM 0 H ASN A 80 -2.578 12.839 -10.914 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.827 12.014 -8.991 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.528 14.612 -8.578 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.549 13.858 -7.370 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.639 12.399 -5.605 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.156 11.832 -6.312 1.00 0.00 H new ATOM 931 N PHE A 81 -3.869 10.315 -8.833 1.00 0.00 N ATOM 932 CA PHE A 81 -4.735 9.270 -8.320 1.00 0.00 C ATOM 933 C PHE A 81 -3.911 8.127 -7.738 1.00 0.00 C ATOM 934 O PHE A 81 -2.720 8.000 -8.023 1.00 0.00 O ATOM 935 CB PHE A 81 -5.650 8.743 -9.426 1.00 0.00 C ATOM 936 CG PHE A 81 -6.991 9.415 -9.464 1.00 0.00 C ATOM 937 CD1 PHE A 81 -7.824 9.396 -8.357 1.00 0.00 C ATOM 938 CD2 PHE A 81 -7.417 10.067 -10.608 1.00 0.00 C ATOM 939 CE1 PHE A 81 -9.059 10.014 -8.391 1.00 0.00 C ATOM 940 CE2 PHE A 81 -8.653 10.689 -10.651 1.00 0.00 C ATOM 941 CZ PHE A 81 -9.475 10.663 -9.542 1.00 0.00 C ATOM 0 H PHE A 81 -3.387 10.076 -9.700 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.350 9.697 -7.527 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.158 8.878 -10.389 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.793 7.671 -9.288 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.504 8.892 -7.457 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -6.777 10.091 -11.478 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.699 9.991 -7.522 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -8.974 11.194 -11.550 1.00 0.00 H new ATOM 0 HZ PHE A 81 -10.440 11.147 -9.572 1.00 0.00 H new ATOM 951 N LEU A 82 -4.552 7.295 -6.924 1.00 0.00 N ATOM 952 CA LEU A 82 -3.876 6.160 -6.305 1.00 0.00 C ATOM 953 C LEU A 82 -4.576 4.853 -6.660 1.00 0.00 C ATOM 954 O LEU A 82 -5.680 4.581 -6.188 1.00 0.00 O ATOM 955 CB LEU A 82 -3.828 6.331 -4.786 1.00 0.00 C ATOM 956 CG LEU A 82 -2.905 7.445 -4.288 1.00 0.00 C ATOM 957 CD1 LEU A 82 -1.467 7.171 -4.702 1.00 0.00 C ATOM 958 CD2 LEU A 82 -3.366 8.795 -4.819 1.00 0.00 C ATOM 0 H LEU A 82 -5.538 7.385 -6.678 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.857 6.123 -6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.838 6.529 -4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.509 5.389 -4.340 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.950 7.470 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.825 7.974 -4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.140 6.223 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.405 7.120 -5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.699 9.576 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.350 8.782 -5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.380 8.995 -4.474 1.00 0.00 H new ATOM 970 N CYS A 83 -3.930 4.050 -7.497 1.00 0.00 N ATOM 971 CA CYS A 83 -4.491 2.771 -7.916 1.00 0.00 C ATOM 972 C CYS A 83 -3.873 1.621 -7.130 1.00 0.00 C ATOM 973 O CYS A 83 -2.671 1.372 -7.219 1.00 0.00 O ATOM 974 CB CYS A 83 -4.268 2.560 -9.416 1.00 0.00 C ATOM 975 SG CYS A 83 -5.659 1.778 -10.266 1.00 0.00 S ATOM 0 H CYS A 83 -3.017 4.262 -7.899 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.562 2.789 -7.714 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.067 3.525 -9.882 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.378 1.946 -9.557 1.00 0.00 H new ATOM 0 HG CYS A 83 -5.377 1.644 -11.528 1.00 0.00 H new ATOM 981 N ILE A 84 -4.702 0.923 -6.362 1.00 0.00 N ATOM 982 CA ILE A 84 -4.236 -0.202 -5.560 1.00 0.00 C ATOM 983 C ILE A 84 -4.876 -1.507 -6.028 1.00 0.00 C ATOM 984 O ILE A 84 -6.090 -1.585 -6.209 1.00 0.00 O ATOM 985 CB ILE A 84 -4.534 0.018 -4.060 1.00 0.00 C ATOM 986 CG1 ILE A 84 -3.695 1.191 -3.527 1.00 0.00 C ATOM 987 CG2 ILE A 84 -4.278 -1.261 -3.264 1.00 0.00 C ATOM 988 CD1 ILE A 84 -2.772 0.833 -2.380 1.00 0.00 C ATOM 0 H ILE A 84 -5.700 1.116 -6.278 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.156 -0.271 -5.692 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.588 0.270 -3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.098 1.595 -4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.368 1.984 -3.201 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.494 -1.083 -2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.922 -2.057 -3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.235 -1.556 -3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.219 1.719 -2.068 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.361 0.458 -1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.071 0.064 -2.704 1.00 0.00 H new ATOM 1000 N PHE A 85 -4.044 -2.525 -6.222 1.00 0.00 N ATOM 1001 CA PHE A 85 -4.521 -3.828 -6.670 1.00 0.00 C ATOM 1002 C PHE A 85 -3.992 -4.939 -5.769 1.00 0.00 C ATOM 1003 O PHE A 85 -2.917 -5.485 -6.009 1.00 0.00 O ATOM 1004 CB PHE A 85 -4.091 -4.081 -8.116 1.00 0.00 C ATOM 1005 CG PHE A 85 -5.136 -3.707 -9.128 1.00 0.00 C ATOM 1006 CD1 PHE A 85 -6.211 -4.545 -9.375 1.00 0.00 C ATOM 1007 CD2 PHE A 85 -5.043 -2.517 -9.832 1.00 0.00 C ATOM 1008 CE1 PHE A 85 -7.175 -4.204 -10.304 1.00 0.00 C ATOM 1009 CE2 PHE A 85 -6.003 -2.171 -10.764 1.00 0.00 C ATOM 1010 CZ PHE A 85 -7.070 -3.015 -11.000 1.00 0.00 C ATOM 0 H PHE A 85 -3.036 -2.473 -6.076 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.610 -3.828 -6.616 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.181 -3.516 -8.320 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.844 -5.136 -8.234 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.297 -5.476 -8.835 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.211 -1.853 -9.650 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.009 -4.866 -10.486 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.919 -1.241 -11.307 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.821 -2.746 -11.728 1.00 0.00 H new ATOM 1020 N ILE A 86 -4.757 -5.266 -4.731 1.00 0.00 N ATOM 1021 CA ILE A 86 -4.373 -6.312 -3.788 1.00 0.00 C ATOM 1022 C ILE A 86 -4.847 -7.686 -4.265 1.00 0.00 C ATOM 1023 O ILE A 86 -6.038 -7.993 -4.202 1.00 0.00 O ATOM 1024 CB ILE A 86 -4.945 -6.030 -2.380 1.00 0.00 C ATOM 1025 CG1 ILE A 86 -4.441 -7.069 -1.365 1.00 0.00 C ATOM 1026 CG2 ILE A 86 -6.467 -5.987 -2.410 1.00 0.00 C ATOM 1027 CD1 ILE A 86 -5.116 -8.424 -1.459 1.00 0.00 C ATOM 0 H ILE A 86 -5.650 -4.820 -4.521 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.284 -6.313 -3.734 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.589 -5.050 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.368 -7.202 -1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.586 -6.675 -0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.845 -5.787 -1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.795 -5.197 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.851 -6.946 -2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.698 -9.092 -0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.186 -8.310 -1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.950 -8.845 -2.450 1.00 0.00 H new ATOM 1039 N PRO A 87 -3.924 -8.538 -4.758 1.00 0.00 N ATOM 1040 CA PRO A 87 -4.262 -9.874 -5.244 1.00 0.00 C ATOM 1041 C PRO A 87 -4.432 -10.874 -4.108 1.00 0.00 C ATOM 1042 O PRO A 87 -3.468 -11.226 -3.427 1.00 0.00 O ATOM 1043 CB PRO A 87 -3.061 -10.265 -6.123 1.00 0.00 C ATOM 1044 CG PRO A 87 -2.130 -9.091 -6.105 1.00 0.00 C ATOM 1045 CD PRO A 87 -2.487 -8.281 -4.891 1.00 0.00 C ATOM 0 HA PRO A 87 -5.212 -9.878 -5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.569 -11.158 -5.736 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -3.381 -10.493 -7.140 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -1.092 -9.420 -6.060 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.237 -8.497 -7.013 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.933 -8.603 -4.009 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.274 -7.221 -5.032 1.00 0.00 H new ATOM 1053 N THR A 88 -5.663 -11.327 -3.904 1.00 0.00 N ATOM 1054 CA THR A 88 -5.956 -12.287 -2.846 1.00 0.00 C ATOM 1055 C THR A 88 -6.688 -13.504 -3.401 1.00 0.00 C ATOM 1056 O THR A 88 -6.909 -13.611 -4.608 1.00 0.00 O ATOM 1057 CB THR A 88 -6.790 -11.625 -1.749 1.00 0.00 C ATOM 1058 OG1 THR A 88 -6.969 -12.505 -0.654 1.00 0.00 O ATOM 1059 CG2 THR A 88 -8.163 -11.192 -2.218 1.00 0.00 C ATOM 0 H THR A 88 -6.473 -11.046 -4.456 1.00 0.00 H new ATOM 0 HA THR A 88 -5.011 -12.623 -2.420 1.00 0.00 H new ATOM 0 HB THR A 88 -6.227 -10.739 -1.456 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.163 -12.502 -0.097 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.701 -10.730 -1.390 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.060 -10.472 -3.030 1.00 0.00 H new ATOM 0 HG23 THR A 88 -8.718 -12.061 -2.572 1.00 0.00 H new ATOM 1067 N LEU A 89 -7.059 -14.421 -2.515 1.00 0.00 N ATOM 1068 CA LEU A 89 -7.765 -15.633 -2.916 1.00 0.00 C ATOM 1069 C LEU A 89 -9.209 -15.630 -2.417 1.00 0.00 C ATOM 1070 O LEU A 89 -10.007 -16.485 -2.803 1.00 0.00 O ATOM 1071 CB LEU A 89 -7.035 -16.870 -2.389 1.00 0.00 C ATOM 1072 CG LEU A 89 -5.934 -17.412 -3.303 1.00 0.00 C ATOM 1073 CD1 LEU A 89 -4.771 -16.436 -3.374 1.00 0.00 C ATOM 1074 CD2 LEU A 89 -5.461 -18.773 -2.815 1.00 0.00 C ATOM 0 H LEU A 89 -6.883 -14.348 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.783 -15.661 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.596 -16.629 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.767 -17.660 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.344 -17.529 -4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.998 -16.838 -4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.120 -15.482 -3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.360 -16.287 -2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.678 -19.145 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.068 -18.680 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.298 -19.471 -2.816 1.00 0.00 H new ATOM 1086 N PHE A 90 -9.541 -14.670 -1.557 1.00 0.00 N ATOM 1087 CA PHE A 90 -10.887 -14.566 -1.009 1.00 0.00 C ATOM 1088 C PHE A 90 -11.220 -15.781 -0.156 1.00 0.00 C ATOM 1089 O PHE A 90 -10.929 -16.918 -0.529 1.00 0.00 O ATOM 1090 CB PHE A 90 -11.916 -14.412 -2.131 1.00 0.00 C ATOM 1091 CG PHE A 90 -13.337 -14.351 -1.645 1.00 0.00 C ATOM 1092 CD1 PHE A 90 -14.064 -15.512 -1.440 1.00 0.00 C ATOM 1093 CD2 PHE A 90 -13.944 -13.131 -1.391 1.00 0.00 C ATOM 1094 CE1 PHE A 90 -15.370 -15.459 -0.993 1.00 0.00 C ATOM 1095 CE2 PHE A 90 -15.250 -13.070 -0.944 1.00 0.00 C ATOM 1096 CZ PHE A 90 -15.964 -14.236 -0.744 1.00 0.00 C ATOM 0 H PHE A 90 -8.895 -13.954 -1.226 1.00 0.00 H new ATOM 0 HA PHE A 90 -10.924 -13.679 -0.376 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -11.694 -13.505 -2.693 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.814 -15.248 -2.823 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -13.604 -16.470 -1.632 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -13.389 -12.217 -1.544 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -15.926 -16.372 -0.838 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -15.712 -12.113 -0.751 1.00 0.00 H new ATOM 0 HZ PHE A 90 -16.985 -14.192 -0.394 1.00 0.00 H new ATOM 1106 N ASP A 91 -11.829 -15.527 0.993 1.00 0.00 N ATOM 1107 CA ASP A 91 -12.207 -16.592 1.918 1.00 0.00 C ATOM 1108 C ASP A 91 -10.974 -17.209 2.570 1.00 0.00 C ATOM 1109 O ASP A 91 -10.997 -18.363 2.997 1.00 0.00 O ATOM 1110 CB ASP A 91 -13.007 -17.675 1.191 1.00 0.00 C ATOM 1111 CG ASP A 91 -13.868 -18.490 2.136 1.00 0.00 C ATOM 1112 OD1 ASP A 91 -14.949 -18.000 2.527 1.00 0.00 O ATOM 1113 OD2 ASP A 91 -13.463 -19.619 2.484 1.00 0.00 O ATOM 0 H ASP A 91 -12.074 -14.589 1.310 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.830 -16.154 2.697 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -13.641 -17.210 0.436 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.321 -18.339 0.665 1.00 0.00 H new ATOM 1118 N MET A 92 -9.900 -16.430 2.646 1.00 0.00 N ATOM 1119 CA MET A 92 -8.656 -16.895 3.247 1.00 0.00 C ATOM 1120 C MET A 92 -7.932 -15.745 3.941 1.00 0.00 C ATOM 1121 O MET A 92 -7.009 -15.150 3.384 1.00 0.00 O ATOM 1122 CB MET A 92 -7.754 -17.522 2.180 1.00 0.00 C ATOM 1123 CG MET A 92 -7.382 -18.969 2.473 1.00 0.00 C ATOM 1124 SD MET A 92 -8.144 -20.132 1.323 1.00 0.00 S ATOM 1125 CE MET A 92 -9.582 -20.644 2.260 1.00 0.00 C ATOM 0 H MET A 92 -9.867 -15.472 2.298 1.00 0.00 H new ATOM 0 HA MET A 92 -8.896 -17.652 3.994 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.258 -17.473 1.215 1.00 0.00 H new ATOM 0 HB3 MET A 92 -6.842 -16.931 2.094 1.00 0.00 H new ATOM 0 HG2 MET A 92 -6.298 -19.077 2.428 1.00 0.00 H new ATOM 0 HG3 MET A 92 -7.685 -19.219 3.490 1.00 0.00 H new ATOM 0 HE1 MET A 92 -9.620 -21.733 2.303 1.00 0.00 H new ATOM 0 HE2 MET A 92 -9.519 -20.243 3.272 1.00 0.00 H new ATOM 0 HE3 MET A 92 -10.484 -20.269 1.776 1.00 0.00 H new ATOM 1135 N ASN A 93 -8.359 -15.436 5.161 1.00 0.00 N ATOM 1136 CA ASN A 93 -7.755 -14.355 5.931 1.00 0.00 C ATOM 1137 C ASN A 93 -7.862 -13.026 5.186 1.00 0.00 C ATOM 1138 O ASN A 93 -7.066 -12.114 5.412 1.00 0.00 O ATOM 1139 CB ASN A 93 -6.288 -14.675 6.229 1.00 0.00 C ATOM 1140 CG ASN A 93 -6.034 -14.914 7.704 1.00 0.00 C ATOM 1141 OD1 ASN A 93 -6.438 -14.119 8.552 1.00 0.00 O ATOM 1142 ND2 ASN A 93 -5.362 -16.016 8.018 1.00 0.00 N ATOM 0 H ASN A 93 -9.121 -15.919 5.637 1.00 0.00 H new ATOM 0 HA ASN A 93 -8.298 -14.263 6.872 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.990 -15.559 5.665 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.663 -13.851 5.885 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.162 -16.231 8.995 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.046 -16.648 7.282 1.00 0.00 H new ATOM 1149 N ASN A 94 -8.847 -12.924 4.298 1.00 0.00 N ATOM 1150 CA ASN A 94 -9.052 -11.707 3.523 1.00 0.00 C ATOM 1151 C ASN A 94 -9.463 -10.549 4.427 1.00 0.00 C ATOM 1152 O ASN A 94 -9.149 -9.391 4.152 1.00 0.00 O ATOM 1153 CB ASN A 94 -10.119 -11.934 2.451 1.00 0.00 C ATOM 1154 CG ASN A 94 -11.439 -12.395 3.037 1.00 0.00 C ATOM 1155 OD1 ASN A 94 -11.524 -12.730 4.218 1.00 0.00 O ATOM 1156 ND2 ASN A 94 -12.479 -12.413 2.211 1.00 0.00 N ATOM 0 H ASN A 94 -9.514 -13.669 4.098 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.109 -11.451 3.040 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -10.275 -11.009 1.896 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.762 -12.677 1.738 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.393 -12.713 2.549 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -12.363 -12.127 1.239 1.00 0.00 H new ATOM 1163 N MET A 95 -10.167 -10.871 5.508 1.00 0.00 N ATOM 1164 CA MET A 95 -10.620 -9.859 6.453 1.00 0.00 C ATOM 1165 C MET A 95 -9.448 -9.287 7.246 1.00 0.00 C ATOM 1166 O MET A 95 -9.476 -8.132 7.667 1.00 0.00 O ATOM 1167 CB MET A 95 -11.657 -10.453 7.409 1.00 0.00 C ATOM 1168 CG MET A 95 -13.048 -10.566 6.804 1.00 0.00 C ATOM 1169 SD MET A 95 -14.157 -9.258 7.362 1.00 0.00 S ATOM 1170 CE MET A 95 -15.047 -10.103 8.667 1.00 0.00 C ATOM 0 H MET A 95 -10.435 -11.825 5.750 1.00 0.00 H new ATOM 0 HA MET A 95 -11.079 -9.049 5.886 1.00 0.00 H new ATOM 0 HB2 MET A 95 -11.325 -11.443 7.723 1.00 0.00 H new ATOM 0 HB3 MET A 95 -11.709 -9.835 8.305 1.00 0.00 H new ATOM 0 HG2 MET A 95 -12.971 -10.533 5.717 1.00 0.00 H new ATOM 0 HG3 MET A 95 -13.475 -11.535 7.064 1.00 0.00 H new ATOM 0 HE1 MET A 95 -15.773 -9.423 9.112 1.00 0.00 H new ATOM 0 HE2 MET A 95 -15.566 -10.967 8.253 1.00 0.00 H new ATOM 0 HE3 MET A 95 -14.344 -10.434 9.432 1.00 0.00 H new ATOM 1180 N ASP A 96 -8.419 -10.106 7.444 1.00 0.00 N ATOM 1181 CA ASP A 96 -7.237 -9.680 8.186 1.00 0.00 C ATOM 1182 C ASP A 96 -6.191 -9.087 7.246 1.00 0.00 C ATOM 1183 O ASP A 96 -5.024 -9.479 7.272 1.00 0.00 O ATOM 1184 CB ASP A 96 -6.640 -10.861 8.955 1.00 0.00 C ATOM 1185 CG ASP A 96 -7.510 -11.290 10.121 1.00 0.00 C ATOM 1186 OD1 ASP A 96 -8.708 -11.566 9.899 1.00 0.00 O ATOM 1187 OD2 ASP A 96 -6.993 -11.349 11.256 1.00 0.00 O ATOM 0 H ASP A 96 -8.380 -11.066 7.102 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.540 -8.910 8.896 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.506 -11.703 8.276 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.651 -10.589 9.324 1.00 0.00 H new ATOM 1192 N LEU A 97 -6.617 -8.139 6.418 1.00 0.00 N ATOM 1193 CA LEU A 97 -5.717 -7.491 5.471 1.00 0.00 C ATOM 1194 C LEU A 97 -6.381 -6.271 4.839 1.00 0.00 C ATOM 1195 O LEU A 97 -5.907 -5.146 4.990 1.00 0.00 O ATOM 1196 CB LEU A 97 -5.294 -8.478 4.381 1.00 0.00 C ATOM 1197 CG LEU A 97 -4.225 -7.960 3.415 1.00 0.00 C ATOM 1198 CD1 LEU A 97 -3.242 -9.066 3.061 1.00 0.00 C ATOM 1199 CD2 LEU A 97 -4.872 -7.397 2.159 1.00 0.00 C ATOM 0 H LEU A 97 -7.579 -7.802 6.384 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.832 -7.160 6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.922 -9.385 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.176 -8.760 3.806 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.675 -7.159 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.490 -8.678 2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.755 -9.424 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.776 -9.890 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.098 -7.033 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.448 -8.179 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.535 -6.574 2.428 1.00 0.00 H new ATOM 1211 N LEU A 98 -7.482 -6.503 4.133 1.00 0.00 N ATOM 1212 CA LEU A 98 -8.213 -5.424 3.479 1.00 0.00 C ATOM 1213 C LEU A 98 -8.715 -4.408 4.500 1.00 0.00 C ATOM 1214 O LEU A 98 -8.857 -3.224 4.194 1.00 0.00 O ATOM 1215 CB LEU A 98 -9.391 -5.990 2.681 1.00 0.00 C ATOM 1216 CG LEU A 98 -9.628 -5.331 1.321 1.00 0.00 C ATOM 1217 CD1 LEU A 98 -8.473 -5.626 0.376 1.00 0.00 C ATOM 1218 CD2 LEU A 98 -10.943 -5.808 0.723 1.00 0.00 C ATOM 0 H LEU A 98 -7.888 -7.429 3.999 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.530 -4.917 2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.227 -7.057 2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.297 -5.890 3.279 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.685 -4.252 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.659 -5.149 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.547 -5.237 0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.384 -6.703 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.097 -5.330 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.912 -6.890 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.763 -5.546 1.392 1.00 0.00 H new ATOM 1230 N LYS A 99 -8.983 -4.878 5.714 1.00 0.00 N ATOM 1231 CA LYS A 99 -9.470 -4.010 6.780 1.00 0.00 C ATOM 1232 C LYS A 99 -8.479 -2.885 7.064 1.00 0.00 C ATOM 1233 O LYS A 99 -8.872 -1.774 7.419 1.00 0.00 O ATOM 1234 CB LYS A 99 -9.717 -4.822 8.053 1.00 0.00 C ATOM 1235 CG LYS A 99 -10.727 -4.186 8.995 1.00 0.00 C ATOM 1236 CD LYS A 99 -12.076 -4.884 8.923 1.00 0.00 C ATOM 1237 CE LYS A 99 -12.270 -5.840 10.090 1.00 0.00 C ATOM 1238 NZ LYS A 99 -13.712 -6.095 10.365 1.00 0.00 N ATOM 0 H LYS A 99 -8.871 -5.855 5.984 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.410 -3.566 6.452 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.067 -5.817 7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.772 -4.951 8.581 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.349 -4.228 10.017 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.848 -3.133 8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.873 -4.140 8.924 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -12.154 -5.433 7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.769 -6.784 9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.798 -5.426 10.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.802 -6.751 11.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.185 -5.198 10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.157 -6.514 9.524 1.00 0.00 H new ATOM 1252 N GLN A 100 -7.194 -3.180 6.900 1.00 0.00 N ATOM 1253 CA GLN A 100 -6.149 -2.191 7.137 1.00 0.00 C ATOM 1254 C GLN A 100 -6.036 -1.238 5.954 1.00 0.00 C ATOM 1255 O GLN A 100 -6.029 -0.020 6.122 1.00 0.00 O ATOM 1256 CB GLN A 100 -4.807 -2.884 7.380 1.00 0.00 C ATOM 1257 CG GLN A 100 -3.948 -2.195 8.428 1.00 0.00 C ATOM 1258 CD GLN A 100 -3.853 -2.986 9.717 1.00 0.00 C ATOM 1259 OE1 GLN A 100 -2.803 -3.542 10.042 1.00 0.00 O ATOM 1260 NE2 GLN A 100 -4.952 -3.042 10.460 1.00 0.00 N ATOM 0 H GLN A 100 -6.852 -4.094 6.604 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.416 -1.616 8.024 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.990 -3.913 7.691 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.255 -2.928 6.441 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.946 -2.040 8.027 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -4.362 -1.209 8.641 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.800 -2.566 10.153 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.948 -3.561 11.338 1.00 0.00 H new ATOM 1269 N ALA A 101 -5.954 -1.806 4.755 1.00 0.00 N ATOM 1270 CA ALA A 101 -5.847 -1.013 3.538 1.00 0.00 C ATOM 1271 C ALA A 101 -7.046 -0.082 3.390 1.00 0.00 C ATOM 1272 O ALA A 101 -6.899 1.091 3.045 1.00 0.00 O ATOM 1273 CB ALA A 101 -5.730 -1.928 2.330 1.00 0.00 C ATOM 0 H ALA A 101 -5.960 -2.814 4.601 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.949 -0.398 3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.650 -1.327 1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.842 -2.552 2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.614 -2.563 2.267 1.00 0.00 H new ATOM 1279 N LEU A 102 -8.235 -0.616 3.654 1.00 0.00 N ATOM 1280 CA LEU A 102 -9.465 0.160 3.552 1.00 0.00 C ATOM 1281 C LEU A 102 -9.512 1.249 4.619 1.00 0.00 C ATOM 1282 O LEU A 102 -10.109 2.305 4.414 1.00 0.00 O ATOM 1283 CB LEU A 102 -10.683 -0.757 3.690 1.00 0.00 C ATOM 1284 CG LEU A 102 -11.242 -1.295 2.373 1.00 0.00 C ATOM 1285 CD1 LEU A 102 -11.975 -2.607 2.601 1.00 0.00 C ATOM 1286 CD2 LEU A 102 -12.166 -0.271 1.729 1.00 0.00 C ATOM 0 H LEU A 102 -8.372 -1.585 3.941 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.485 0.636 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.413 -1.601 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -11.473 -0.211 4.206 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.409 -1.481 1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.366 -2.975 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.286 -3.341 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.799 -2.447 3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.555 -0.670 0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.995 -0.054 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.611 0.646 1.530 1.00 0.00 H new ATOM 1298 N LEU A 103 -8.878 0.985 5.758 1.00 0.00 N ATOM 1299 CA LEU A 103 -8.851 1.946 6.856 1.00 0.00 C ATOM 1300 C LEU A 103 -7.977 3.148 6.507 1.00 0.00 C ATOM 1301 O LEU A 103 -8.212 4.257 6.985 1.00 0.00 O ATOM 1302 CB LEU A 103 -8.338 1.275 8.133 1.00 0.00 C ATOM 1303 CG LEU A 103 -9.348 1.210 9.280 1.00 0.00 C ATOM 1304 CD1 LEU A 103 -9.123 -0.038 10.119 1.00 0.00 C ATOM 1305 CD2 LEU A 103 -9.252 2.459 10.144 1.00 0.00 C ATOM 0 H LEU A 103 -8.377 0.116 5.944 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.868 2.300 7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.021 0.261 7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.454 1.812 8.477 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.350 1.161 8.855 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.851 -0.067 10.930 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.241 -0.923 9.494 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.116 -0.020 10.536 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.977 2.397 10.955 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.248 2.537 10.560 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.462 3.339 9.536 1.00 0.00 H new ATOM 1317 N ILE A 104 -6.966 2.919 5.674 1.00 0.00 N ATOM 1318 CA ILE A 104 -6.059 3.984 5.264 1.00 0.00 C ATOM 1319 C ILE A 104 -6.707 4.893 4.225 1.00 0.00 C ATOM 1320 O ILE A 104 -6.769 6.109 4.406 1.00 0.00 O ATOM 1321 CB ILE A 104 -4.748 3.414 4.687 1.00 0.00 C ATOM 1322 CG1 ILE A 104 -4.118 2.428 5.672 1.00 0.00 C ATOM 1323 CG2 ILE A 104 -3.775 4.537 4.362 1.00 0.00 C ATOM 1324 CD1 ILE A 104 -3.226 1.400 5.012 1.00 0.00 C ATOM 0 H ILE A 104 -6.755 2.006 5.271 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.832 4.566 6.157 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.979 2.882 3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -3.536 2.984 6.407 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -4.911 1.914 6.216 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -2.855 4.116 3.956 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -4.223 5.206 3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.548 5.096 5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -2.814 0.735 5.771 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.808 0.819 4.297 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.412 1.905 4.492 1.00 0.00 H new ATOM 1336 N LEU A 105 -7.188 4.298 3.137 1.00 0.00 N ATOM 1337 CA LEU A 105 -7.828 5.062 2.071 1.00 0.00 C ATOM 1338 C LEU A 105 -9.014 5.862 2.605 1.00 0.00 C ATOM 1339 O LEU A 105 -9.337 6.931 2.087 1.00 0.00 O ATOM 1340 CB LEU A 105 -8.279 4.128 0.942 1.00 0.00 C ATOM 1341 CG LEU A 105 -9.524 3.291 1.245 1.00 0.00 C ATOM 1342 CD1 LEU A 105 -10.786 4.068 0.902 1.00 0.00 C ATOM 1343 CD2 LEU A 105 -9.480 1.977 0.480 1.00 0.00 C ATOM 0 H LEU A 105 -7.147 3.292 2.971 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.097 5.766 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.472 4.727 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.458 3.453 0.701 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.539 3.068 2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -11.661 3.457 1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.822 4.983 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.780 4.322 -0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -10.373 1.394 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.441 2.180 -0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.594 1.414 0.775 1.00 0.00 H new ATOM 1355 N HIS A 106 -9.658 5.340 3.645 1.00 0.00 N ATOM 1356 CA HIS A 106 -10.804 6.012 4.246 1.00 0.00 C ATOM 1357 C HIS A 106 -10.354 7.236 5.029 1.00 0.00 C ATOM 1358 O HIS A 106 -10.856 8.344 4.813 1.00 0.00 O ATOM 1359 CB HIS A 106 -11.566 5.050 5.163 1.00 0.00 C ATOM 1360 CG HIS A 106 -12.918 4.672 4.642 1.00 0.00 C ATOM 1361 ND1 HIS A 106 -14.071 4.792 5.385 1.00 0.00 N ATOM 1362 CD2 HIS A 106 -13.298 4.175 3.441 1.00 0.00 C ATOM 1363 CE1 HIS A 106 -15.098 4.381 4.663 1.00 0.00 C ATOM 1364 NE2 HIS A 106 -14.656 4.003 3.480 1.00 0.00 N ATOM 0 H HIS A 106 -9.406 4.456 4.088 1.00 0.00 H new ATOM 0 HA HIS A 106 -11.470 6.336 3.447 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -10.973 4.146 5.301 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -11.679 5.510 6.145 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -12.649 3.955 2.606 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -16.128 4.358 4.988 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -15.231 3.642 2.719 1.00 0.00 H new ATOM 1373 N ASN A 107 -9.412 7.035 5.945 1.00 0.00 N ATOM 1374 CA ASN A 107 -8.898 8.127 6.765 1.00 0.00 C ATOM 1375 C ASN A 107 -8.176 9.160 5.908 1.00 0.00 C ATOM 1376 O ASN A 107 -8.357 10.362 6.072 1.00 0.00 O ATOM 1377 CB ASN A 107 -7.952 7.585 7.838 1.00 0.00 C ATOM 1378 CG ASN A 107 -8.684 7.219 9.121 1.00 0.00 C ATOM 1379 OD1 ASN A 107 -9.581 6.376 9.111 1.00 0.00 O ATOM 1380 ND2 ASN A 107 -8.291 7.840 10.221 1.00 0.00 N ATOM 0 H ASN A 107 -8.989 6.127 6.138 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.745 8.613 7.249 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.435 6.706 7.453 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.189 8.332 8.058 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.737 7.627 11.114 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.542 8.531 10.177 1.00 0.00 H new ATOM 1387 N ASP A 108 -7.352 8.676 4.988 1.00 0.00 N ATOM 1388 CA ASP A 108 -6.599 9.554 4.100 1.00 0.00 C ATOM 1389 C ASP A 108 -7.535 10.397 3.237 1.00 0.00 C ATOM 1390 O ASP A 108 -7.164 11.475 2.774 1.00 0.00 O ATOM 1391 CB ASP A 108 -5.668 8.733 3.206 1.00 0.00 C ATOM 1392 CG ASP A 108 -4.293 8.547 3.819 1.00 0.00 C ATOM 1393 OD1 ASP A 108 -3.682 9.558 4.223 1.00 0.00 O ATOM 1394 OD2 ASP A 108 -3.829 7.390 3.896 1.00 0.00 O ATOM 0 H ASP A 108 -7.188 7.681 4.837 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.003 10.225 4.719 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.115 7.756 3.020 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.568 9.227 2.239 1.00 0.00 H new ATOM 1399 N LEU A 109 -8.749 9.898 3.022 1.00 0.00 N ATOM 1400 CA LEU A 109 -9.728 10.600 2.208 1.00 0.00 C ATOM 1401 C LEU A 109 -10.667 11.436 3.082 1.00 0.00 C ATOM 1402 O LEU A 109 -11.137 12.496 2.667 1.00 0.00 O ATOM 1403 CB LEU A 109 -10.544 9.611 1.381 1.00 0.00 C ATOM 1404 CG LEU A 109 -11.295 10.219 0.193 1.00 0.00 C ATOM 1405 CD1 LEU A 109 -11.300 9.257 -0.984 1.00 0.00 C ATOM 1406 CD2 LEU A 109 -12.713 10.581 0.591 1.00 0.00 C ATOM 0 H LEU A 109 -9.075 9.009 3.402 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.187 11.267 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.876 8.835 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.266 9.123 2.036 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.779 11.130 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -11.838 9.706 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.274 9.045 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -11.791 8.329 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.232 11.012 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -13.238 9.685 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -12.689 11.307 1.404 1.00 0.00 H new ATOM 1418 N HIS A 110 -10.937 10.944 4.284 1.00 0.00 N ATOM 1419 CA HIS A 110 -11.826 11.641 5.210 1.00 0.00 C ATOM 1420 C HIS A 110 -11.097 12.751 5.971 1.00 0.00 C ATOM 1421 O HIS A 110 -11.723 13.644 6.531 1.00 0.00 O ATOM 1422 CB HIS A 110 -12.439 10.653 6.206 1.00 0.00 C ATOM 1423 CG HIS A 110 -13.861 10.963 6.565 1.00 0.00 C ATOM 1424 ND1 HIS A 110 -14.475 12.152 6.240 1.00 0.00 N ATOM 1425 CD2 HIS A 110 -14.787 10.223 7.215 1.00 0.00 C ATOM 1426 CE1 HIS A 110 -15.722 12.138 6.685 1.00 0.00 C ATOM 1427 NE2 HIS A 110 -15.938 10.979 7.280 1.00 0.00 N ATOM 0 H HIS A 110 -10.556 10.068 4.642 1.00 0.00 H new ATOM 0 HA HIS A 110 -12.617 12.100 4.616 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -12.391 9.649 5.785 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -11.837 10.647 7.115 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -14.651 9.227 7.609 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.440 12.938 6.579 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -16.814 10.690 7.716 1.00 0.00 H new ATOM 1436 N GLU A 111 -9.769 12.684 5.992 1.00 0.00 N ATOM 1437 CA GLU A 111 -8.967 13.684 6.693 1.00 0.00 C ATOM 1438 C GLU A 111 -9.254 15.089 6.173 1.00 0.00 C ATOM 1439 O GLU A 111 -9.277 16.046 6.941 1.00 0.00 O ATOM 1440 CB GLU A 111 -7.471 13.365 6.543 1.00 0.00 C ATOM 1441 CG GLU A 111 -7.064 12.964 5.135 1.00 0.00 C ATOM 1442 CD GLU A 111 -5.781 13.626 4.690 1.00 0.00 C ATOM 1443 OE1 GLU A 111 -4.889 13.837 5.543 1.00 0.00 O ATOM 1444 OE2 GLU A 111 -5.661 13.945 3.488 1.00 0.00 O ATOM 0 H GLU A 111 -9.227 11.952 5.534 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.238 13.651 7.748 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -6.892 14.238 6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -7.211 12.559 7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -6.945 11.882 5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.863 13.226 4.441 1.00 0.00 H new ATOM 1451 N TYR A 112 -9.468 15.206 4.863 1.00 0.00 N ATOM 1452 CA TYR A 112 -9.754 16.504 4.258 1.00 0.00 C ATOM 1453 C TYR A 112 -10.221 16.340 2.813 1.00 0.00 C ATOM 1454 O TYR A 112 -11.250 16.905 2.424 1.00 0.00 O ATOM 1455 CB TYR A 112 -8.508 17.391 4.303 1.00 0.00 C ATOM 1456 CG TYR A 112 -8.782 18.795 4.782 1.00 0.00 C ATOM 1457 CD1 TYR A 112 -9.439 19.710 3.968 1.00 0.00 C ATOM 1458 CD2 TYR A 112 -8.394 19.209 6.052 1.00 0.00 C ATOM 1459 CE1 TYR A 112 -9.694 21.000 4.406 1.00 0.00 C ATOM 1460 CE2 TYR A 112 -8.646 20.496 6.497 1.00 0.00 C ATOM 1461 CZ TYR A 112 -9.298 21.379 5.667 1.00 0.00 C ATOM 1462 OH TYR A 112 -9.546 22.661 6.102 1.00 0.00 O ATOM 0 H TYR A 112 -9.449 14.425 4.207 1.00 0.00 H new ATOM 0 HA TYR A 112 -10.554 16.977 4.828 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -7.768 16.931 4.958 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -8.068 17.436 3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -9.756 19.411 2.980 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -7.886 18.513 6.704 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -10.200 21.703 3.761 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -8.334 20.803 7.484 1.00 0.00 H new ATOM 0 HH TYR A 112 -9.205 22.769 7.014 1.00 0.00 H new ATOM 1472 N VAL A 113 -9.472 15.579 2.035 1.00 0.00 N ATOM 1473 CA VAL A 113 -9.811 15.346 0.635 1.00 0.00 C ATOM 1474 C VAL A 113 -11.056 14.474 0.506 1.00 0.00 C ATOM 1475 O VAL A 113 -10.996 13.350 0.014 1.00 0.00 O ATOM 1476 CB VAL A 113 -8.642 14.679 -0.118 1.00 0.00 C ATOM 1477 CG1 VAL A 113 -8.317 13.326 0.496 1.00 0.00 C ATOM 1478 CG2 VAL A 113 -8.967 14.542 -1.596 1.00 0.00 C ATOM 0 H VAL A 113 -8.622 15.109 2.346 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.012 16.320 0.189 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.761 15.315 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -7.490 12.869 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -8.036 13.459 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -9.192 12.679 0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.130 14.069 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.860 13.929 -1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -9.144 15.529 -2.023 1.00 0.00 H new ATOM 1488 N GLU A 114 -12.191 15.004 0.956 1.00 0.00 N ATOM 1489 CA GLU A 114 -13.448 14.270 0.887 1.00 0.00 C ATOM 1490 C GLU A 114 -14.166 14.541 -0.431 1.00 0.00 C ATOM 1491 O GLU A 114 -13.581 15.099 -1.357 1.00 0.00 O ATOM 1492 CB GLU A 114 -14.352 14.664 2.068 1.00 0.00 C ATOM 1493 CG GLU A 114 -14.647 13.512 3.014 1.00 0.00 C ATOM 1494 CD GLU A 114 -15.965 12.828 2.707 1.00 0.00 C ATOM 1495 OE1 GLU A 114 -16.856 13.492 2.132 1.00 0.00 O ATOM 1496 OE2 GLU A 114 -16.113 11.639 3.051 1.00 0.00 O ATOM 0 H GLU A 114 -12.264 15.933 1.370 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.226 13.204 0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.876 15.470 2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -15.292 15.056 1.681 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.840 12.782 2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.665 13.884 4.039 1.00 0.00 H new TER 1503 GLU A 114