USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 950 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 101 ASN : amide:sc= -7.89! C(o=-9.9!,f=-18!) USER MOD Set 1.2: A 107 ASN : amide:sc= -2.01 K(o=-9.9,f=-12!) USER MOD Set 2.1: A 38 THR OG1 : rot -170:sc= -2.65! USER MOD Set 2.2: A 42 ASN : amide:sc= -2.75 K(o=-5.4,f=-8.6!) USER MOD Set 3.1: A 30 HIS : no HD1:sc= -2.15! C(o=-2.1!,f=-2.9!) USER MOD Set 3.2: A 124 SER OG : rot 87:sc= 0.0746 USER MOD Set 4.1: A 5 ASN : amide:sc= -0.191 K(o=0.45,f=-8.1!) USER MOD Set 4.2: A 62 LYS NZ :NH3+ -111:sc= 0.646 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -2.5 K(o=-2.5,f=-4.1!) USER MOD Single : A 12 GLN : amide:sc= -3.96! K(o=-4!,f=-2.6) USER MOD Single : A 14 LYS NZ :NH3+ -124:sc= -1.6! (180deg=-4.5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 162:sc= -2.82! USER MOD Single : A 25 ASN : amide:sc= -2.59 X(o=-2.6,f=-2.2) USER MOD Single : A 29 TYR OH : rot 165:sc= -1.98! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= 1.05 (180deg=0.911) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -1.76 K(o=-1.8,f=-2.4) USER MOD Single : A 50 LYS NZ :NH3+ -130:sc= 0.622 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.252! USER MOD Single : A 59 ASN : amide:sc= -0.605 K(o=-0.6,f=-7.1!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -2.5 K(o=-2.5,f=-1.7) USER MOD Single : A 74 SER OG : rot 180:sc= -1.71 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 80:sc= -2.87 USER MOD Single : A 85 ASN : amide:sc= -5.46! C(o=-5.5!,f=-12!) USER MOD Single : A 87 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.32) USER MOD Single : A 89 LYS NZ :NH3+ -174:sc= -0.963 (180deg=-1.05) USER MOD Single : A 97 MET CE :methyl 163:sc= -2.87! (180deg=-4.19!) USER MOD Single : A 99 SER OG : rot 180:sc= 0.1 USER MOD Single : A 100 LYS NZ :NH3+ -164:sc= -0.172 (180deg=-0.614) USER MOD Single : A 104 SER OG : rot 172:sc= -0.853 USER MOD Single : A 105 THR OG1 : rot -80:sc= 0.853 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -3.54! C(o=-3.5!,f=-8.1!) USER MOD Single : A 114 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0578) USER MOD Single : A 117 SER OG : rot 94:sc= -0.847 USER MOD Single : A 121 TYR OH : rot 128:sc= 1.07 USER MOD Single : A 127 ASN : amide:sc= -5.15! C(o=-5.2!,f=-9.5!) USER MOD Single : A 128 HIS : no HD1:sc= -0.0394 X(o=-0.039,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N LYS A 3 -16.649 21.396 -0.838 1.00 0.00 N ATOM 33 CA LYS A 3 -15.643 20.514 -0.256 1.00 0.00 C ATOM 34 C LYS A 3 -15.658 19.146 -0.928 1.00 0.00 C ATOM 35 O LYS A 3 -15.680 18.112 -0.259 1.00 0.00 O ATOM 36 CB LYS A 3 -15.870 20.361 1.251 1.00 0.00 C ATOM 37 CG LYS A 3 -17.299 19.991 1.623 1.00 0.00 C ATOM 38 CD LYS A 3 -17.897 20.975 2.621 1.00 0.00 C ATOM 39 CE LYS A 3 -17.773 22.413 2.140 1.00 0.00 C ATOM 40 NZ LYS A 3 -19.041 23.173 2.327 1.00 0.00 N ATOM 0 HA LYS A 3 -14.666 20.967 -0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.195 19.596 1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.606 21.296 1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.914 19.967 0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.316 18.987 2.048 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.948 20.735 2.783 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.394 20.869 3.582 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.969 22.909 2.683 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -17.497 22.421 1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -18.915 24.148 1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.803 22.714 1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.291 23.188 3.336 1.00 0.00 H new ATOM 54 N THR A 4 -15.638 19.149 -2.256 1.00 0.00 N ATOM 55 CA THR A 4 -15.640 17.909 -3.021 1.00 0.00 C ATOM 56 C THR A 4 -14.411 17.071 -2.682 1.00 0.00 C ATOM 57 O THR A 4 -14.476 15.843 -2.642 1.00 0.00 O ATOM 58 CB THR A 4 -15.672 18.214 -4.520 1.00 0.00 C ATOM 59 OG1 THR A 4 -16.932 18.736 -4.899 1.00 0.00 O ATOM 60 CG2 THR A 4 -15.394 17.006 -5.391 1.00 0.00 C ATOM 0 H THR A 4 -15.620 19.996 -2.824 1.00 0.00 H new ATOM 0 HA THR A 4 -16.532 17.340 -2.757 1.00 0.00 H new ATOM 0 HB THR A 4 -14.877 18.942 -4.679 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.932 18.926 -5.860 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.433 17.297 -6.441 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.404 16.611 -5.161 1.00 0.00 H new ATOM 0 HG23 THR A 4 -16.144 16.239 -5.199 1.00 0.00 H new ATOM 68 N ASN A 5 -13.292 17.748 -2.440 1.00 0.00 N ATOM 69 CA ASN A 5 -12.042 17.072 -2.107 1.00 0.00 C ATOM 70 C ASN A 5 -12.255 16.042 -1.003 1.00 0.00 C ATOM 71 O ASN A 5 -11.587 15.008 -0.969 1.00 0.00 O ATOM 72 CB ASN A 5 -10.988 18.092 -1.680 1.00 0.00 C ATOM 73 CG ASN A 5 -10.125 18.545 -2.842 1.00 0.00 C ATOM 74 OD1 ASN A 5 -9.945 19.742 -3.068 1.00 0.00 O ATOM 75 ND2 ASN A 5 -9.588 17.587 -3.588 1.00 0.00 N ATOM 0 H ASN A 5 -13.225 18.765 -2.468 1.00 0.00 H new ATOM 0 HA ASN A 5 -11.691 16.549 -2.997 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -11.481 18.957 -1.237 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -10.355 17.656 -0.908 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.000 17.831 -4.385 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.764 16.607 -3.364 1.00 0.00 H new ATOM 82 N LEU A 6 -13.196 16.323 -0.107 1.00 0.00 N ATOM 83 CA LEU A 6 -13.502 15.413 0.982 1.00 0.00 C ATOM 84 C LEU A 6 -14.401 14.293 0.491 1.00 0.00 C ATOM 85 O LEU A 6 -13.994 13.137 0.448 1.00 0.00 O ATOM 86 CB LEU A 6 -14.188 16.158 2.128 1.00 0.00 C ATOM 87 CG LEU A 6 -13.253 16.884 3.095 1.00 0.00 C ATOM 88 CD1 LEU A 6 -12.076 16.001 3.477 1.00 0.00 C ATOM 89 CD2 LEU A 6 -12.776 18.192 2.487 1.00 0.00 C ATOM 0 H LEU A 6 -13.758 17.174 -0.117 1.00 0.00 H new ATOM 0 HA LEU A 6 -12.567 14.989 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -14.879 16.886 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -14.786 15.445 2.695 1.00 0.00 H new ATOM 0 HG LEU A 6 -13.808 17.111 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -11.425 16.540 4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -12.442 15.094 3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -11.515 15.735 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -12.111 18.698 3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -12.240 17.988 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -13.634 18.830 2.277 1.00 0.00 H new ATOM 101 N GLY A 7 -15.625 14.650 0.110 1.00 0.00 N ATOM 102 CA GLY A 7 -16.571 13.666 -0.384 1.00 0.00 C ATOM 103 C GLY A 7 -15.976 12.759 -1.445 1.00 0.00 C ATOM 104 O GLY A 7 -16.466 11.654 -1.671 1.00 0.00 O ATOM 0 H GLY A 7 -15.978 15.606 0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.925 13.059 0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.440 14.179 -0.797 1.00 0.00 H new ATOM 108 N GLU A 8 -14.917 13.224 -2.098 1.00 0.00 N ATOM 109 CA GLU A 8 -14.261 12.442 -3.136 1.00 0.00 C ATOM 110 C GLU A 8 -13.118 11.611 -2.560 1.00 0.00 C ATOM 111 O GLU A 8 -12.720 10.602 -3.141 1.00 0.00 O ATOM 112 CB GLU A 8 -13.735 13.358 -4.246 1.00 0.00 C ATOM 113 CG GLU A 8 -12.527 14.186 -3.839 1.00 0.00 C ATOM 114 CD GLU A 8 -11.303 13.893 -4.686 1.00 0.00 C ATOM 115 OE1 GLU A 8 -11.474 13.487 -5.855 1.00 0.00 O ATOM 116 OE2 GLU A 8 -10.175 14.068 -4.180 1.00 0.00 O ATOM 0 H GLU A 8 -14.496 14.137 -1.927 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.001 11.761 -3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.472 12.750 -5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.535 14.029 -4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.774 15.245 -3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.294 13.991 -2.792 1.00 0.00 H new ATOM 123 N LEU A 9 -12.595 12.035 -1.411 1.00 0.00 N ATOM 124 CA LEU A 9 -11.506 11.318 -0.767 1.00 0.00 C ATOM 125 C LEU A 9 -12.031 10.453 0.369 1.00 0.00 C ATOM 126 O LEU A 9 -11.375 9.504 0.799 1.00 0.00 O ATOM 127 CB LEU A 9 -10.462 12.302 -0.237 1.00 0.00 C ATOM 128 CG LEU A 9 -9.436 12.777 -1.267 1.00 0.00 C ATOM 129 CD1 LEU A 9 -8.628 13.941 -0.718 1.00 0.00 C ATOM 130 CD2 LEU A 9 -8.520 11.632 -1.672 1.00 0.00 C ATOM 0 H LEU A 9 -12.909 12.868 -0.912 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.037 10.671 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.978 13.173 0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.931 11.833 0.592 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.970 13.120 -2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.903 14.265 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.297 14.768 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.103 13.626 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.796 11.987 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.993 11.259 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.113 10.828 -2.108 1.00 0.00 H new ATOM 142 N ILE A 10 -13.214 10.801 0.865 1.00 0.00 N ATOM 143 CA ILE A 10 -13.820 10.072 1.964 1.00 0.00 C ATOM 144 C ILE A 10 -14.792 9.004 1.481 1.00 0.00 C ATOM 145 O ILE A 10 -14.810 7.896 2.014 1.00 0.00 O ATOM 146 CB ILE A 10 -14.546 11.020 2.932 1.00 0.00 C ATOM 147 CG1 ILE A 10 -15.736 11.726 2.254 1.00 0.00 C ATOM 148 CG2 ILE A 10 -13.583 12.039 3.480 1.00 0.00 C ATOM 149 CD1 ILE A 10 -16.201 12.993 2.968 1.00 0.00 C ATOM 0 H ILE A 10 -13.769 11.584 0.520 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.002 9.579 2.489 1.00 0.00 H new ATOM 0 HB ILE A 10 -14.940 10.418 3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.459 11.980 1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -16.572 11.029 2.194 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.108 12.705 4.164 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.780 11.531 4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -13.162 12.620 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -17.041 13.428 2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -16.512 12.745 3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -15.382 13.711 3.005 1.00 0.00 H new ATOM 161 N ASN A 11 -15.598 9.333 0.470 1.00 0.00 N ATOM 162 CA ASN A 11 -16.564 8.378 -0.076 1.00 0.00 C ATOM 163 C ASN A 11 -15.922 7.006 -0.205 1.00 0.00 C ATOM 164 O ASN A 11 -16.477 5.994 0.223 1.00 0.00 O ATOM 165 CB ASN A 11 -17.055 8.840 -1.447 1.00 0.00 C ATOM 166 CG ASN A 11 -18.307 9.683 -1.359 1.00 0.00 C ATOM 167 OD1 ASN A 11 -19.013 9.669 -0.351 1.00 0.00 O ATOM 168 ND2 ASN A 11 -18.587 10.425 -2.420 1.00 0.00 N ATOM 0 H ASN A 11 -15.602 10.246 0.016 1.00 0.00 H new ATOM 0 HA ASN A 11 -17.414 8.320 0.604 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -16.268 9.414 -1.937 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -17.251 7.969 -2.072 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -19.418 11.017 -2.423 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -17.972 10.404 -3.234 1.00 0.00 H new ATOM 175 N GLN A 12 -14.732 7.000 -0.785 1.00 0.00 N ATOM 176 CA GLN A 12 -13.969 5.775 -0.968 1.00 0.00 C ATOM 177 C GLN A 12 -13.317 5.355 0.344 1.00 0.00 C ATOM 178 O GLN A 12 -13.139 4.166 0.608 1.00 0.00 O ATOM 179 CB GLN A 12 -12.893 5.982 -2.033 1.00 0.00 C ATOM 180 CG GLN A 12 -11.889 7.058 -1.660 1.00 0.00 C ATOM 181 CD GLN A 12 -10.806 7.240 -2.702 1.00 0.00 C ATOM 182 OE1 GLN A 12 -10.666 6.433 -3.620 1.00 0.00 O ATOM 183 NE2 GLN A 12 -10.033 8.309 -2.562 1.00 0.00 N ATOM 0 H GLN A 12 -14.270 7.837 -1.140 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.650 4.988 -1.293 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.366 5.042 -2.197 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.370 6.249 -2.976 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -12.413 8.003 -1.519 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.429 6.803 -0.705 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.186 8.951 -1.784 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.285 8.489 -3.232 1.00 0.00 H new ATOM 192 N GLY A 13 -12.965 6.343 1.163 1.00 0.00 N ATOM 193 CA GLY A 13 -12.336 6.062 2.440 1.00 0.00 C ATOM 194 C GLY A 13 -13.201 5.191 3.331 1.00 0.00 C ATOM 195 O GLY A 13 -12.839 4.056 3.637 1.00 0.00 O ATOM 0 H GLY A 13 -13.105 7.334 0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.380 5.567 2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.122 7.001 2.951 1.00 0.00 H new ATOM 199 N LYS A 14 -14.351 5.719 3.744 1.00 0.00 N ATOM 200 CA LYS A 14 -15.262 4.961 4.600 1.00 0.00 C ATOM 201 C LYS A 14 -15.711 3.690 3.888 1.00 0.00 C ATOM 202 O LYS A 14 -16.056 2.696 4.527 1.00 0.00 O ATOM 203 CB LYS A 14 -16.485 5.794 5.030 1.00 0.00 C ATOM 204 CG LYS A 14 -16.776 7.008 4.160 1.00 0.00 C ATOM 205 CD LYS A 14 -16.147 8.271 4.737 1.00 0.00 C ATOM 206 CE LYS A 14 -16.832 9.526 4.213 1.00 0.00 C ATOM 207 NZ LYS A 14 -18.223 9.659 4.727 1.00 0.00 N ATOM 0 H LYS A 14 -14.672 6.657 3.504 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.717 4.697 5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -17.363 5.148 5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -16.334 6.129 6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.393 6.836 3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.854 7.144 4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.212 8.247 5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.088 8.300 4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.253 10.403 4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.849 9.501 3.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.883 9.739 3.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.466 8.821 5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.294 10.510 5.321 1.00 0.00 H new ATOM 221 N SER A 15 -15.680 3.721 2.557 1.00 0.00 N ATOM 222 CA SER A 15 -16.056 2.562 1.760 1.00 0.00 C ATOM 223 C SER A 15 -14.934 1.534 1.795 1.00 0.00 C ATOM 224 O SER A 15 -15.176 0.327 1.766 1.00 0.00 O ATOM 225 CB SER A 15 -16.345 2.976 0.317 1.00 0.00 C ATOM 226 OG SER A 15 -16.953 1.918 -0.405 1.00 0.00 O ATOM 0 H SER A 15 -15.399 4.536 2.012 1.00 0.00 H new ATOM 0 HA SER A 15 -16.961 2.123 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.999 3.848 0.310 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.417 3.269 -0.174 1.00 0.00 H new ATOM 0 HG SER A 15 -17.129 2.208 -1.324 1.00 0.00 H new ATOM 232 N LEU A 16 -13.702 2.029 1.882 1.00 0.00 N ATOM 233 CA LEU A 16 -12.532 1.172 1.952 1.00 0.00 C ATOM 234 C LEU A 16 -12.564 0.389 3.255 1.00 0.00 C ATOM 235 O LEU A 16 -12.769 -0.824 3.268 1.00 0.00 O ATOM 236 CB LEU A 16 -11.250 2.011 1.899 1.00 0.00 C ATOM 237 CG LEU A 16 -10.537 2.074 0.548 1.00 0.00 C ATOM 238 CD1 LEU A 16 -9.744 3.373 0.426 1.00 0.00 C ATOM 239 CD2 LEU A 16 -9.620 0.869 0.378 1.00 0.00 C ATOM 0 H LEU A 16 -13.492 3.027 1.906 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.542 0.489 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -11.494 3.028 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.552 1.615 2.636 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.286 2.053 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.242 3.403 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.422 4.222 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.001 3.422 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.119 0.927 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.875 0.864 1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.209 -0.047 0.427 1.00 0.00 H new ATOM 251 N LEU A 17 -12.369 1.116 4.352 1.00 0.00 N ATOM 252 CA LEU A 17 -12.374 0.536 5.689 1.00 0.00 C ATOM 253 C LEU A 17 -13.581 -0.379 5.897 1.00 0.00 C ATOM 254 O LEU A 17 -13.510 -1.356 6.640 1.00 0.00 O ATOM 255 CB LEU A 17 -12.384 1.656 6.729 1.00 0.00 C ATOM 256 CG LEU A 17 -11.169 1.704 7.655 1.00 0.00 C ATOM 257 CD1 LEU A 17 -9.921 2.144 6.898 1.00 0.00 C ATOM 258 CD2 LEU A 17 -11.444 2.645 8.813 1.00 0.00 C ATOM 0 H LEU A 17 -12.203 2.122 4.338 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.474 -0.068 5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.461 2.611 6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.281 1.553 7.340 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.989 0.701 8.043 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.072 2.170 7.581 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.717 1.440 6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.081 3.138 6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.575 2.676 9.471 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.645 3.645 8.429 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.310 2.290 9.372 1.00 0.00 H new ATOM 270 N ASP A 18 -14.692 -0.046 5.243 1.00 0.00 N ATOM 271 CA ASP A 18 -15.916 -0.832 5.368 1.00 0.00 C ATOM 272 C ASP A 18 -15.817 -2.156 4.613 1.00 0.00 C ATOM 273 O ASP A 18 -16.434 -3.147 5.001 1.00 0.00 O ATOM 274 CB ASP A 18 -17.113 -0.031 4.852 1.00 0.00 C ATOM 275 CG ASP A 18 -17.725 0.848 5.925 1.00 0.00 C ATOM 276 OD1 ASP A 18 -17.708 0.443 7.106 1.00 0.00 O ATOM 277 OD2 ASP A 18 -18.224 1.941 5.583 1.00 0.00 O ATOM 0 H ASP A 18 -14.769 0.760 4.623 1.00 0.00 H new ATOM 0 HA ASP A 18 -16.055 -1.057 6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -16.797 0.590 4.014 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -17.870 -0.717 4.473 1.00 0.00 H new ATOM 282 N GLU A 19 -15.041 -2.168 3.534 1.00 0.00 N ATOM 283 CA GLU A 19 -14.870 -3.372 2.729 1.00 0.00 C ATOM 284 C GLU A 19 -13.523 -4.034 2.999 1.00 0.00 C ATOM 285 O GLU A 19 -13.249 -5.126 2.499 1.00 0.00 O ATOM 286 CB GLU A 19 -14.994 -3.034 1.241 1.00 0.00 C ATOM 287 CG GLU A 19 -15.004 -4.258 0.340 1.00 0.00 C ATOM 288 CD GLU A 19 -16.009 -4.141 -0.790 1.00 0.00 C ATOM 289 OE1 GLU A 19 -17.159 -3.736 -0.522 1.00 0.00 O ATOM 290 OE2 GLU A 19 -15.645 -4.454 -1.943 1.00 0.00 O ATOM 0 H GLU A 19 -14.521 -1.358 3.197 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.656 -4.074 3.008 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.911 -2.467 1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.165 -2.387 0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -14.008 -4.405 -0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.234 -5.141 0.936 1.00 0.00 H new ATOM 297 N SER A 20 -12.679 -3.371 3.785 1.00 0.00 N ATOM 298 CA SER A 20 -11.366 -3.900 4.107 1.00 0.00 C ATOM 299 C SER A 20 -11.310 -4.379 5.544 1.00 0.00 C ATOM 300 O SER A 20 -11.190 -3.583 6.475 1.00 0.00 O ATOM 301 CB SER A 20 -10.307 -2.834 3.900 1.00 0.00 C ATOM 302 OG SER A 20 -10.789 -1.565 4.296 1.00 0.00 O ATOM 0 H SER A 20 -12.885 -2.466 4.209 1.00 0.00 H new ATOM 0 HA SER A 20 -11.176 -4.744 3.444 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.415 -3.085 4.474 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.013 -2.805 2.851 1.00 0.00 H new ATOM 0 HG SER A 20 -10.033 -0.957 4.434 1.00 0.00 H new ATOM 308 N VAL A 21 -11.390 -5.680 5.713 1.00 0.00 N ATOM 309 CA VAL A 21 -11.343 -6.278 7.031 1.00 0.00 C ATOM 310 C VAL A 21 -9.919 -6.668 7.394 1.00 0.00 C ATOM 311 O VAL A 21 -9.198 -7.242 6.581 1.00 0.00 O ATOM 312 CB VAL A 21 -12.261 -7.516 7.095 1.00 0.00 C ATOM 313 CG1 VAL A 21 -11.464 -8.811 7.211 1.00 0.00 C ATOM 314 CG2 VAL A 21 -13.253 -7.387 8.241 1.00 0.00 C ATOM 0 H VAL A 21 -11.489 -6.349 4.949 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.696 -5.540 7.751 1.00 0.00 H new ATOM 0 HB VAL A 21 -12.815 -7.561 6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.149 -9.658 7.253 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.811 -8.915 6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.861 -8.787 8.119 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -13.892 -8.270 8.270 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.711 -7.300 9.183 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -13.867 -6.499 8.092 1.00 0.00 H new ATOM 324 N GLU A 22 -9.519 -6.361 8.617 1.00 0.00 N ATOM 325 CA GLU A 22 -8.179 -6.700 9.070 1.00 0.00 C ATOM 326 C GLU A 22 -8.111 -8.183 9.442 1.00 0.00 C ATOM 327 O GLU A 22 -8.688 -8.614 10.438 1.00 0.00 O ATOM 328 CB GLU A 22 -7.780 -5.815 10.261 1.00 0.00 C ATOM 329 CG GLU A 22 -8.355 -6.236 11.604 1.00 0.00 C ATOM 330 CD GLU A 22 -9.852 -6.470 11.560 1.00 0.00 C ATOM 331 OE1 GLU A 22 -10.571 -5.615 11.003 1.00 0.00 O ATOM 332 OE2 GLU A 22 -10.306 -7.511 12.081 1.00 0.00 O ATOM 0 H GLU A 22 -10.096 -5.882 9.308 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.472 -6.517 8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.693 -5.805 10.337 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.095 -4.792 10.054 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.860 -7.149 11.935 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.135 -5.467 12.345 1.00 0.00 H new ATOM 339 N GLY A 23 -7.409 -8.962 8.624 1.00 0.00 N ATOM 340 CA GLY A 23 -7.288 -10.383 8.880 1.00 0.00 C ATOM 341 C GLY A 23 -5.871 -10.890 8.707 1.00 0.00 C ATOM 342 O GLY A 23 -5.118 -10.981 9.677 1.00 0.00 O ATOM 0 H GLY A 23 -6.923 -8.633 7.790 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.624 -10.595 9.895 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.949 -10.927 8.205 1.00 0.00 H new ATOM 346 N PHE A 24 -5.505 -11.219 7.466 1.00 0.00 N ATOM 347 CA PHE A 24 -4.165 -11.725 7.157 1.00 0.00 C ATOM 348 C PHE A 24 -4.141 -12.421 5.797 1.00 0.00 C ATOM 349 O PHE A 24 -3.497 -13.457 5.633 1.00 0.00 O ATOM 350 CB PHE A 24 -3.683 -12.704 8.237 1.00 0.00 C ATOM 351 CG PHE A 24 -4.748 -13.650 8.716 1.00 0.00 C ATOM 352 CD1 PHE A 24 -5.393 -14.497 7.828 1.00 0.00 C ATOM 353 CD2 PHE A 24 -5.104 -13.692 10.054 1.00 0.00 C ATOM 354 CE1 PHE A 24 -6.372 -15.369 8.269 1.00 0.00 C ATOM 355 CE2 PHE A 24 -6.082 -14.561 10.500 1.00 0.00 C ATOM 356 CZ PHE A 24 -6.717 -15.400 9.605 1.00 0.00 C ATOM 0 H PHE A 24 -6.120 -11.144 6.656 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.494 -10.867 7.129 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.847 -13.282 7.843 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.306 -12.136 9.087 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.128 -14.476 6.781 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.611 -13.037 10.758 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.866 -16.025 7.568 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.349 -14.584 11.546 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.482 -16.079 9.950 1.00 0.00 H new ATOM 366 N ASN A 25 -4.843 -11.850 4.823 1.00 0.00 N ATOM 367 CA ASN A 25 -4.892 -12.428 3.484 1.00 0.00 C ATOM 368 C ASN A 25 -5.267 -11.375 2.447 1.00 0.00 C ATOM 369 O ASN A 25 -5.574 -10.234 2.790 1.00 0.00 O ATOM 370 CB ASN A 25 -5.897 -13.582 3.444 1.00 0.00 C ATOM 371 CG ASN A 25 -5.384 -14.767 2.648 1.00 0.00 C ATOM 372 OD1 ASN A 25 -4.562 -15.545 3.130 1.00 0.00 O ATOM 373 ND2 ASN A 25 -5.871 -14.910 1.420 1.00 0.00 N ATOM 0 H ASN A 25 -5.383 -10.992 4.934 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.899 -12.808 3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.121 -13.901 4.462 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -6.832 -13.231 3.007 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.564 -15.689 0.837 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.552 -14.241 1.060 1.00 0.00 H new ATOM 380 N VAL A 26 -5.241 -11.768 1.175 1.00 0.00 N ATOM 381 CA VAL A 26 -5.582 -10.858 0.087 1.00 0.00 C ATOM 382 C VAL A 26 -6.947 -10.219 0.321 1.00 0.00 C ATOM 383 O VAL A 26 -7.966 -10.908 0.374 1.00 0.00 O ATOM 384 CB VAL A 26 -5.585 -11.582 -1.275 1.00 0.00 C ATOM 385 CG1 VAL A 26 -6.644 -12.674 -1.304 1.00 0.00 C ATOM 386 CG2 VAL A 26 -5.797 -10.589 -2.408 1.00 0.00 C ATOM 0 H VAL A 26 -4.988 -12.709 0.874 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.818 -10.081 0.068 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.612 -12.054 -1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.628 -13.171 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.437 -13.402 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.627 -12.232 -1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.796 -11.118 -3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.753 -10.084 -2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.993 -9.852 -2.401 1.00 0.00 H new ATOM 396 N GLY A 27 -6.956 -8.900 0.473 1.00 0.00 N ATOM 397 CA GLY A 27 -8.199 -8.192 0.714 1.00 0.00 C ATOM 398 C GLY A 27 -8.403 -7.871 2.184 1.00 0.00 C ATOM 399 O GLY A 27 -9.349 -7.172 2.547 1.00 0.00 O ATOM 0 H GLY A 27 -6.126 -8.309 0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.205 -7.267 0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.034 -8.795 0.357 1.00 0.00 H new ATOM 403 N GLU A 28 -7.510 -8.380 3.032 1.00 0.00 N ATOM 404 CA GLU A 28 -7.586 -8.146 4.459 1.00 0.00 C ATOM 405 C GLU A 28 -6.211 -7.821 5.012 1.00 0.00 C ATOM 406 O GLU A 28 -5.227 -8.493 4.701 1.00 0.00 O ATOM 407 CB GLU A 28 -8.163 -9.375 5.166 1.00 0.00 C ATOM 408 CG GLU A 28 -9.473 -9.861 4.567 1.00 0.00 C ATOM 409 CD GLU A 28 -9.271 -10.663 3.295 1.00 0.00 C ATOM 410 OE1 GLU A 28 -8.185 -11.260 3.136 1.00 0.00 O ATOM 411 OE2 GLU A 28 -10.197 -10.692 2.459 1.00 0.00 O ATOM 0 H GLU A 28 -6.722 -8.961 2.744 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.245 -7.296 4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.433 -10.183 5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.320 -9.138 6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.998 -10.474 5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.111 -9.003 4.354 1.00 0.00 H new ATOM 418 N TYR A 29 -6.148 -6.783 5.829 1.00 0.00 N ATOM 419 CA TYR A 29 -4.891 -6.362 6.420 1.00 0.00 C ATOM 420 C TYR A 29 -4.728 -6.949 7.807 1.00 0.00 C ATOM 421 O TYR A 29 -5.613 -7.629 8.309 1.00 0.00 O ATOM 422 CB TYR A 29 -4.820 -4.838 6.478 1.00 0.00 C ATOM 423 CG TYR A 29 -5.770 -4.217 7.466 1.00 0.00 C ATOM 424 CD1 TYR A 29 -7.118 -4.025 7.154 1.00 0.00 C ATOM 425 CD2 TYR A 29 -5.311 -3.800 8.707 1.00 0.00 C ATOM 426 CE1 TYR A 29 -7.973 -3.432 8.056 1.00 0.00 C ATOM 427 CE2 TYR A 29 -6.168 -3.211 9.615 1.00 0.00 C ATOM 428 CZ TYR A 29 -7.494 -3.028 9.284 1.00 0.00 C ATOM 429 OH TYR A 29 -8.345 -2.440 10.189 1.00 0.00 O ATOM 0 H TYR A 29 -6.953 -6.217 6.097 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.077 -6.729 5.795 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.802 -4.542 6.733 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.030 -4.437 5.486 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.494 -4.346 6.194 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.272 -3.938 8.966 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.012 -3.284 7.803 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.801 -2.895 10.580 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.926 -2.433 11.075 1.00 0.00 H new ATOM 439 N HIS A 30 -3.592 -6.690 8.423 1.00 0.00 N ATOM 440 CA HIS A 30 -3.338 -7.216 9.760 1.00 0.00 C ATOM 441 C HIS A 30 -4.043 -6.388 10.823 1.00 0.00 C ATOM 442 O HIS A 30 -4.966 -6.862 11.487 1.00 0.00 O ATOM 443 CB HIS A 30 -1.845 -7.250 10.042 1.00 0.00 C ATOM 444 CG HIS A 30 -1.469 -8.163 11.168 1.00 0.00 C ATOM 445 ND1 HIS A 30 -1.380 -7.746 12.479 1.00 0.00 N ATOM 446 CD2 HIS A 30 -1.159 -9.482 11.173 1.00 0.00 C ATOM 447 CE1 HIS A 30 -1.031 -8.767 13.242 1.00 0.00 C ATOM 448 NE2 HIS A 30 -0.891 -9.831 12.474 1.00 0.00 N ATOM 0 H HIS A 30 -2.837 -6.128 8.031 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.734 -8.231 9.797 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.320 -7.564 9.140 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.504 -6.241 10.274 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.128 -10.137 10.314 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.885 -8.736 14.312 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.626 -10.762 12.795 1.00 0.00 H new ATOM 457 N LYS A 31 -3.595 -5.152 10.985 1.00 0.00 N ATOM 458 CA LYS A 31 -4.177 -4.255 11.976 1.00 0.00 C ATOM 459 C LYS A 31 -3.595 -2.853 11.848 1.00 0.00 C ATOM 460 O LYS A 31 -2.512 -2.668 11.293 1.00 0.00 O ATOM 461 CB LYS A 31 -3.930 -4.794 13.386 1.00 0.00 C ATOM 462 CG LYS A 31 -5.010 -4.406 14.383 1.00 0.00 C ATOM 463 CD LYS A 31 -4.983 -5.303 15.610 1.00 0.00 C ATOM 464 CE LYS A 31 -5.608 -4.619 16.814 1.00 0.00 C ATOM 465 NZ LYS A 31 -4.624 -3.777 17.548 1.00 0.00 N ATOM 0 H LYS A 31 -2.831 -4.746 10.444 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.251 -4.201 11.796 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.860 -5.881 13.343 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.968 -4.426 13.743 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.871 -3.368 14.686 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.988 -4.470 13.905 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.519 -6.228 15.397 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.953 -5.576 15.840 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.443 -3.999 16.486 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.015 -5.372 17.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.090 -3.328 18.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.840 -4.372 17.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.254 -3.042 16.912 1.00 0.00 H new ATOM 479 N GLY A 32 -4.320 -1.869 12.367 1.00 0.00 N ATOM 480 CA GLY A 32 -3.856 -0.497 12.303 1.00 0.00 C ATOM 481 C GLY A 32 -4.435 0.261 11.124 1.00 0.00 C ATOM 482 O GLY A 32 -4.558 1.485 11.169 1.00 0.00 O ATOM 0 H GLY A 32 -5.220 -1.997 12.830 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.123 0.016 13.227 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.768 -0.488 12.237 1.00 0.00 H new ATOM 486 N ALA A 33 -4.790 -0.462 10.066 1.00 0.00 N ATOM 487 CA ALA A 33 -5.354 0.163 8.879 1.00 0.00 C ATOM 488 C ALA A 33 -6.653 0.898 9.210 1.00 0.00 C ATOM 489 O ALA A 33 -6.795 2.083 8.909 1.00 0.00 O ATOM 490 CB ALA A 33 -5.573 -0.876 7.791 1.00 0.00 C ATOM 0 H ALA A 33 -4.697 -1.476 10.008 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.644 0.903 8.509 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.995 -0.395 6.909 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.620 -1.338 7.532 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.261 -1.641 8.152 1.00 0.00 H new ATOM 496 N LYS A 34 -7.597 0.196 9.839 1.00 0.00 N ATOM 497 CA LYS A 34 -8.883 0.796 10.217 1.00 0.00 C ATOM 498 C LYS A 34 -8.720 2.124 10.983 1.00 0.00 C ATOM 499 O LYS A 34 -9.705 2.808 11.254 1.00 0.00 O ATOM 500 CB LYS A 34 -9.704 -0.187 11.057 1.00 0.00 C ATOM 501 CG LYS A 34 -11.052 0.363 11.500 1.00 0.00 C ATOM 502 CD LYS A 34 -12.179 -0.617 11.213 1.00 0.00 C ATOM 503 CE LYS A 34 -12.608 -0.559 9.755 1.00 0.00 C ATOM 504 NZ LYS A 34 -13.694 -1.535 9.457 1.00 0.00 N ATOM 0 H LYS A 34 -7.498 -0.786 10.098 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.408 1.019 9.288 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.865 -1.098 10.480 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.128 -0.466 11.939 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.023 0.582 12.567 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.248 1.304 10.986 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.855 -1.628 11.458 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.031 -0.391 11.854 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.950 0.448 9.517 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.750 -0.764 9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.807 -1.625 8.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.448 -2.462 9.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.586 -1.201 9.875 1.00 0.00 H new ATOM 518 N ASP A 35 -7.492 2.490 11.339 1.00 0.00 N ATOM 519 CA ASP A 35 -7.252 3.732 12.062 1.00 0.00 C ATOM 520 C ASP A 35 -6.896 4.869 11.100 1.00 0.00 C ATOM 521 O ASP A 35 -7.673 5.794 10.919 1.00 0.00 O ATOM 522 CB ASP A 35 -6.134 3.547 13.085 1.00 0.00 C ATOM 523 CG ASP A 35 -6.319 2.298 13.926 1.00 0.00 C ATOM 524 OD1 ASP A 35 -6.285 1.188 13.354 1.00 0.00 O ATOM 525 OD2 ASP A 35 -6.498 2.431 15.154 1.00 0.00 O ATOM 0 H ASP A 35 -6.652 1.946 11.139 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.171 3.998 12.584 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.177 3.494 12.567 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.095 4.419 13.738 1.00 0.00 H new ATOM 530 N GLY A 36 -5.714 4.786 10.489 1.00 0.00 N ATOM 531 CA GLY A 36 -5.265 5.809 9.555 1.00 0.00 C ATOM 532 C GLY A 36 -6.331 6.216 8.556 1.00 0.00 C ATOM 533 O GLY A 36 -6.913 7.294 8.673 1.00 0.00 O ATOM 0 H GLY A 36 -5.054 4.021 10.626 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.946 6.688 10.115 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.392 5.441 9.015 1.00 0.00 H new ATOM 537 N LEU A 37 -6.591 5.360 7.564 1.00 0.00 N ATOM 538 CA LEU A 37 -7.594 5.652 6.545 1.00 0.00 C ATOM 539 C LEU A 37 -8.890 6.173 7.161 1.00 0.00 C ATOM 540 O LEU A 37 -9.681 6.812 6.482 1.00 0.00 O ATOM 541 CB LEU A 37 -7.887 4.419 5.695 1.00 0.00 C ATOM 542 CG LEU A 37 -9.157 4.517 4.850 1.00 0.00 C ATOM 543 CD1 LEU A 37 -9.061 5.691 3.900 1.00 0.00 C ATOM 544 CD2 LEU A 37 -9.398 3.230 4.084 1.00 0.00 C ATOM 0 H LEU A 37 -6.121 4.462 7.448 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.180 6.433 5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.039 4.240 5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.969 3.552 6.351 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.004 4.674 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.971 5.751 3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.940 6.612 4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.203 5.557 3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.307 3.325 3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.552 3.036 3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.508 2.404 4.786 1.00 0.00 H new ATOM 556 N THR A 38 -9.105 5.898 8.442 1.00 0.00 N ATOM 557 CA THR A 38 -10.300 6.367 9.124 1.00 0.00 C ATOM 558 C THR A 38 -10.000 7.679 9.836 1.00 0.00 C ATOM 559 O THR A 38 -10.823 8.587 9.868 1.00 0.00 O ATOM 560 CB THR A 38 -10.801 5.316 10.109 1.00 0.00 C ATOM 561 OG1 THR A 38 -12.168 5.025 9.877 1.00 0.00 O ATOM 562 CG2 THR A 38 -10.670 5.716 11.555 1.00 0.00 C ATOM 0 H THR A 38 -8.469 5.355 9.026 1.00 0.00 H new ATOM 0 HA THR A 38 -11.087 6.538 8.390 1.00 0.00 H new ATOM 0 HB THR A 38 -10.165 4.448 9.935 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.514 4.473 10.609 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.048 4.915 12.190 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.621 5.899 11.788 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.246 6.624 11.735 1.00 0.00 H new ATOM 570 N VAL A 39 -8.797 7.767 10.386 1.00 0.00 N ATOM 571 CA VAL A 39 -8.348 8.963 11.079 1.00 0.00 C ATOM 572 C VAL A 39 -8.474 10.154 10.143 1.00 0.00 C ATOM 573 O VAL A 39 -8.712 11.284 10.570 1.00 0.00 O ATOM 574 CB VAL A 39 -6.892 8.780 11.557 1.00 0.00 C ATOM 575 CG1 VAL A 39 -6.229 10.103 11.903 1.00 0.00 C ATOM 576 CG2 VAL A 39 -6.864 7.837 12.745 1.00 0.00 C ATOM 0 H VAL A 39 -8.109 7.014 10.364 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.967 9.140 11.958 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.319 8.349 10.736 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.206 9.922 12.234 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.217 10.745 11.022 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.787 10.592 12.701 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.836 7.708 13.083 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.462 8.254 13.555 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.274 6.870 12.452 1.00 0.00 H new ATOM 586 N GLU A 40 -8.364 9.862 8.855 1.00 0.00 N ATOM 587 CA GLU A 40 -8.518 10.864 7.823 1.00 0.00 C ATOM 588 C GLU A 40 -10.005 11.080 7.588 1.00 0.00 C ATOM 589 O GLU A 40 -10.438 12.174 7.253 1.00 0.00 O ATOM 590 CB GLU A 40 -7.846 10.390 6.540 1.00 0.00 C ATOM 591 CG GLU A 40 -8.267 8.989 6.146 1.00 0.00 C ATOM 592 CD GLU A 40 -8.588 8.863 4.670 1.00 0.00 C ATOM 593 OE1 GLU A 40 -7.766 9.307 3.843 1.00 0.00 O ATOM 594 OE2 GLU A 40 -9.662 8.321 4.341 1.00 0.00 O ATOM 0 H GLU A 40 -8.166 8.926 8.502 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.051 11.800 8.130 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.088 11.079 5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.764 10.418 6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.470 8.290 6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.142 8.700 6.729 1.00 0.00 H new ATOM 601 N ILE A 41 -10.779 10.011 7.798 1.00 0.00 N ATOM 602 CA ILE A 41 -12.228 10.046 7.648 1.00 0.00 C ATOM 603 C ILE A 41 -12.852 10.756 8.837 1.00 0.00 C ATOM 604 O ILE A 41 -13.464 11.812 8.677 1.00 0.00 O ATOM 605 CB ILE A 41 -12.812 8.625 7.536 1.00 0.00 C ATOM 606 CG1 ILE A 41 -12.143 7.883 6.380 1.00 0.00 C ATOM 607 CG2 ILE A 41 -14.324 8.672 7.357 1.00 0.00 C ATOM 608 CD1 ILE A 41 -12.675 8.256 5.014 1.00 0.00 C ATOM 0 H ILE A 41 -10.414 9.100 8.076 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.459 10.587 6.730 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.609 8.085 8.461 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.072 8.082 6.407 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.272 6.811 6.528 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.713 7.657 7.280 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.777 9.170 8.214 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.566 9.223 6.448 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.148 7.685 4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -13.740 8.031 4.965 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.521 9.321 4.842 1.00 0.00 H new ATOM 620 N ASN A 42 -12.675 10.190 10.042 1.00 0.00 N ATOM 621 CA ASN A 42 -13.209 10.816 11.250 1.00 0.00 C ATOM 622 C ASN A 42 -12.962 12.317 11.182 1.00 0.00 C ATOM 623 O ASN A 42 -13.803 13.124 11.579 1.00 0.00 O ATOM 624 CB ASN A 42 -12.539 10.248 12.505 1.00 0.00 C ATOM 625 CG ASN A 42 -12.433 8.737 12.494 1.00 0.00 C ATOM 626 OD1 ASN A 42 -13.015 8.066 11.642 1.00 0.00 O ATOM 627 ND2 ASN A 42 -11.682 8.196 13.448 1.00 0.00 N ATOM 0 H ASN A 42 -12.174 9.315 10.199 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.278 10.609 11.307 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.541 10.675 12.601 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.104 10.560 13.383 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.569 7.183 13.495 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.219 8.793 14.133 1.00 0.00 H new ATOM 634 N LYS A 43 -11.792 12.669 10.659 1.00 0.00 N ATOM 635 CA LYS A 43 -11.402 14.068 10.508 1.00 0.00 C ATOM 636 C LYS A 43 -11.996 14.687 9.236 1.00 0.00 C ATOM 637 O LYS A 43 -12.617 15.748 9.288 1.00 0.00 O ATOM 638 CB LYS A 43 -9.877 14.191 10.480 1.00 0.00 C ATOM 639 CG LYS A 43 -9.251 14.311 11.860 1.00 0.00 C ATOM 640 CD LYS A 43 -9.364 15.727 12.402 1.00 0.00 C ATOM 641 CE LYS A 43 -8.394 16.669 11.705 1.00 0.00 C ATOM 642 NZ LYS A 43 -7.046 16.645 12.337 1.00 0.00 N ATOM 0 H LYS A 43 -11.094 12.002 10.331 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.796 14.614 11.365 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.460 13.320 9.975 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.602 15.064 9.888 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.741 13.618 12.544 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.201 14.022 11.811 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.384 16.089 12.269 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.164 15.725 13.474 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.308 16.389 10.655 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.790 17.684 11.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.415 17.300 11.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.124 16.936 13.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.657 15.682 12.288 1.00 0.00 H new ATOM 656 N ALA A 44 -11.791 14.029 8.094 1.00 0.00 N ATOM 657 CA ALA A 44 -12.296 14.526 6.814 1.00 0.00 C ATOM 658 C ALA A 44 -13.799 14.763 6.851 1.00 0.00 C ATOM 659 O ALA A 44 -14.266 15.863 6.558 1.00 0.00 O ATOM 660 CB ALA A 44 -11.955 13.561 5.692 1.00 0.00 C ATOM 0 H ALA A 44 -11.278 13.150 8.030 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.808 15.483 6.627 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.339 13.949 4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -10.873 13.449 5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.408 12.591 5.896 1.00 0.00 H new ATOM 666 N GLU A 45 -14.557 13.729 7.204 1.00 0.00 N ATOM 667 CA GLU A 45 -16.011 13.837 7.273 1.00 0.00 C ATOM 668 C GLU A 45 -16.419 15.076 8.057 1.00 0.00 C ATOM 669 O GLU A 45 -17.330 15.805 7.661 1.00 0.00 O ATOM 670 CB GLU A 45 -16.602 12.590 7.924 1.00 0.00 C ATOM 671 CG GLU A 45 -16.246 11.306 7.199 1.00 0.00 C ATOM 672 CD GLU A 45 -17.323 10.249 7.341 1.00 0.00 C ATOM 673 OE1 GLU A 45 -18.506 10.572 7.100 1.00 0.00 O ATOM 674 OE2 GLU A 45 -16.988 9.102 7.701 1.00 0.00 O ATOM 0 H GLU A 45 -14.190 12.809 7.446 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.398 13.925 6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.251 12.526 8.954 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.687 12.688 7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.087 11.520 6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.306 10.919 7.591 1.00 0.00 H new ATOM 681 N GLU A 46 -15.721 15.321 9.160 1.00 0.00 N ATOM 682 CA GLU A 46 -15.992 16.486 9.989 1.00 0.00 C ATOM 683 C GLU A 46 -15.846 17.755 9.161 1.00 0.00 C ATOM 684 O GLU A 46 -16.431 18.785 9.485 1.00 0.00 O ATOM 685 CB GLU A 46 -15.042 16.525 11.187 1.00 0.00 C ATOM 686 CG GLU A 46 -15.529 15.711 12.375 1.00 0.00 C ATOM 687 CD GLU A 46 -14.835 16.093 13.667 1.00 0.00 C ATOM 688 OE1 GLU A 46 -14.901 17.281 14.049 1.00 0.00 O ATOM 689 OE2 GLU A 46 -14.225 15.204 14.299 1.00 0.00 O ATOM 0 H GLU A 46 -14.964 14.728 9.500 1.00 0.00 H new ATOM 0 HA GLU A 46 -17.014 16.420 10.363 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -14.065 16.153 10.878 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -14.905 17.561 11.498 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -16.604 15.850 12.490 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -15.364 14.652 12.177 1.00 0.00 H new ATOM 696 N VAL A 47 -15.072 17.660 8.078 1.00 0.00 N ATOM 697 CA VAL A 47 -14.858 18.785 7.180 1.00 0.00 C ATOM 698 C VAL A 47 -15.824 18.704 6.006 1.00 0.00 C ATOM 699 O VAL A 47 -16.431 19.702 5.620 1.00 0.00 O ATOM 700 CB VAL A 47 -13.391 18.839 6.678 1.00 0.00 C ATOM 701 CG1 VAL A 47 -13.288 19.273 5.217 1.00 0.00 C ATOM 702 CG2 VAL A 47 -12.592 19.785 7.550 1.00 0.00 C ATOM 0 H VAL A 47 -14.582 16.808 7.805 1.00 0.00 H new ATOM 0 HA VAL A 47 -15.048 19.704 7.735 1.00 0.00 H new ATOM 0 HB VAL A 47 -12.986 17.829 6.744 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.240 19.294 4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.832 18.567 4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.719 20.268 5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.561 19.823 7.197 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.029 20.782 7.501 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -12.610 19.432 8.581 1.00 0.00 H new ATOM 712 N PHE A 48 -15.971 17.504 5.450 1.00 0.00 N ATOM 713 CA PHE A 48 -16.877 17.291 4.325 1.00 0.00 C ATOM 714 C PHE A 48 -18.221 17.953 4.593 1.00 0.00 C ATOM 715 O PHE A 48 -18.774 18.640 3.734 1.00 0.00 O ATOM 716 CB PHE A 48 -17.090 15.797 4.083 1.00 0.00 C ATOM 717 CG PHE A 48 -18.029 15.506 2.946 1.00 0.00 C ATOM 718 CD1 PHE A 48 -17.874 16.138 1.723 1.00 0.00 C ATOM 719 CD2 PHE A 48 -19.066 14.600 3.103 1.00 0.00 C ATOM 720 CE1 PHE A 48 -18.736 15.871 0.676 1.00 0.00 C ATOM 721 CE2 PHE A 48 -19.931 14.331 2.060 1.00 0.00 C ATOM 722 CZ PHE A 48 -19.766 14.967 0.845 1.00 0.00 C ATOM 0 H PHE A 48 -15.476 16.667 5.759 1.00 0.00 H new ATOM 0 HA PHE A 48 -16.425 17.737 3.439 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -16.127 15.328 3.879 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.480 15.341 4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -17.071 16.847 1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -19.199 14.099 4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -18.604 16.369 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -20.736 13.624 2.195 1.00 0.00 H new ATOM 0 HZ PHE A 48 -20.441 14.758 0.029 1.00 0.00 H new ATOM 732 N ASN A 49 -18.738 17.739 5.797 1.00 0.00 N ATOM 733 CA ASN A 49 -20.017 18.317 6.187 1.00 0.00 C ATOM 734 C ASN A 49 -19.820 19.603 6.987 1.00 0.00 C ATOM 735 O ASN A 49 -20.760 20.112 7.597 1.00 0.00 O ATOM 736 CB ASN A 49 -20.823 17.311 7.011 1.00 0.00 C ATOM 737 CG ASN A 49 -20.012 16.704 8.139 1.00 0.00 C ATOM 738 OD1 ASN A 49 -19.524 17.413 9.019 1.00 0.00 O ATOM 739 ND2 ASN A 49 -19.863 15.385 8.117 1.00 0.00 N ATOM 0 H ASN A 49 -18.292 17.171 6.518 1.00 0.00 H new ATOM 0 HA ASN A 49 -20.567 18.560 5.278 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -21.702 17.806 7.425 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.183 16.516 6.358 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -19.326 14.920 8.849 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -20.285 14.836 7.368 1.00 0.00 H new ATOM 746 N LYS A 50 -18.593 20.123 6.990 1.00 0.00 N ATOM 747 CA LYS A 50 -18.292 21.348 7.732 1.00 0.00 C ATOM 748 C LYS A 50 -18.641 22.601 6.932 1.00 0.00 C ATOM 749 O LYS A 50 -18.799 22.550 5.713 1.00 0.00 O ATOM 750 CB LYS A 50 -16.814 21.385 8.108 1.00 0.00 C ATOM 751 CG LYS A 50 -16.448 22.529 9.034 1.00 0.00 C ATOM 752 CD LYS A 50 -15.204 22.206 9.843 1.00 0.00 C ATOM 753 CE LYS A 50 -14.474 23.471 10.259 1.00 0.00 C ATOM 754 NZ LYS A 50 -14.972 24.000 11.559 1.00 0.00 N ATOM 0 H LYS A 50 -17.798 19.721 6.493 1.00 0.00 H new ATOM 0 HA LYS A 50 -18.906 21.339 8.633 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.546 20.443 8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.219 21.461 7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -16.280 23.434 8.450 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -17.280 22.735 9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.482 21.635 10.729 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.538 21.576 9.254 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.406 23.265 10.336 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.597 24.231 9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.187 25.013 11.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.834 23.488 11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.243 23.869 12.289 1.00 0.00 H new ATOM 768 N GLU A 51 -18.743 23.730 7.635 1.00 0.00 N ATOM 769 CA GLU A 51 -19.053 25.006 6.998 1.00 0.00 C ATOM 770 C GLU A 51 -17.778 25.712 6.592 1.00 0.00 C ATOM 771 O GLU A 51 -17.682 26.237 5.482 1.00 0.00 O ATOM 772 CB GLU A 51 -19.885 25.891 7.928 1.00 0.00 C ATOM 773 CG GLU A 51 -20.952 26.698 7.206 1.00 0.00 C ATOM 774 CD GLU A 51 -22.103 25.838 6.720 1.00 0.00 C ATOM 775 OE1 GLU A 51 -22.365 24.789 7.345 1.00 0.00 O ATOM 776 OE2 GLU A 51 -22.743 26.215 5.716 1.00 0.00 O ATOM 0 H GLU A 51 -18.615 23.784 8.645 1.00 0.00 H new ATOM 0 HA GLU A 51 -19.643 24.809 6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -20.363 25.264 8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.220 26.574 8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -21.336 27.468 7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -20.502 27.211 6.356 1.00 0.00 H new ATOM 783 N ASP A 52 -16.779 25.691 7.464 1.00 0.00 N ATOM 784 CA ASP A 52 -15.510 26.301 7.124 1.00 0.00 C ATOM 785 C ASP A 52 -14.694 25.341 6.278 1.00 0.00 C ATOM 786 O ASP A 52 -13.484 25.508 6.124 1.00 0.00 O ATOM 787 CB ASP A 52 -14.710 26.722 8.354 1.00 0.00 C ATOM 788 CG ASP A 52 -15.587 27.219 9.486 1.00 0.00 C ATOM 789 OD1 ASP A 52 -16.491 28.039 9.222 1.00 0.00 O ATOM 790 OD2 ASP A 52 -15.370 26.789 10.639 1.00 0.00 O ATOM 0 H ASP A 52 -16.823 25.267 8.391 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.727 27.209 6.560 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.119 25.876 8.704 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.008 27.507 8.073 1.00 0.00 H new ATOM 795 N ALA A 53 -15.373 24.359 5.683 1.00 0.00 N ATOM 796 CA ALA A 53 -14.726 23.414 4.806 1.00 0.00 C ATOM 797 C ALA A 53 -14.524 24.106 3.480 1.00 0.00 C ATOM 798 O ALA A 53 -14.884 23.598 2.422 1.00 0.00 O ATOM 799 CB ALA A 53 -15.554 22.150 4.657 1.00 0.00 C ATOM 0 H ALA A 53 -16.375 24.207 5.801 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.767 23.100 5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.042 21.456 3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.686 21.684 5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -16.529 22.401 4.240 1.00 0.00 H new ATOM 805 N THR A 54 -13.974 25.303 3.585 1.00 0.00 N ATOM 806 CA THR A 54 -13.711 26.161 2.451 1.00 0.00 C ATOM 807 C THR A 54 -12.251 26.051 2.022 1.00 0.00 C ATOM 808 O THR A 54 -11.708 24.956 1.890 1.00 0.00 O ATOM 809 CB THR A 54 -14.081 27.603 2.823 1.00 0.00 C ATOM 810 OG1 THR A 54 -13.063 28.199 3.607 1.00 0.00 O ATOM 811 CG2 THR A 54 -15.375 27.704 3.605 1.00 0.00 C ATOM 0 H THR A 54 -13.694 25.710 4.478 1.00 0.00 H new ATOM 0 HA THR A 54 -14.319 25.849 1.602 1.00 0.00 H new ATOM 0 HB THR A 54 -14.203 28.123 1.873 1.00 0.00 H new ATOM 0 HG1 THR A 54 -13.319 29.118 3.831 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.579 28.749 3.837 1.00 0.00 H new ATOM 0 HG22 THR A 54 -16.193 27.298 3.010 1.00 0.00 H new ATOM 0 HG23 THR A 54 -15.285 27.138 4.532 1.00 0.00 H new ATOM 819 N GLU A 55 -11.628 27.185 1.800 1.00 0.00 N ATOM 820 CA GLU A 55 -10.235 27.224 1.373 1.00 0.00 C ATOM 821 C GLU A 55 -9.276 26.967 2.536 1.00 0.00 C ATOM 822 O GLU A 55 -8.076 26.797 2.329 1.00 0.00 O ATOM 823 CB GLU A 55 -9.918 28.577 0.733 1.00 0.00 C ATOM 824 CG GLU A 55 -8.936 28.488 -0.424 1.00 0.00 C ATOM 825 CD GLU A 55 -8.962 29.719 -1.307 1.00 0.00 C ATOM 826 OE1 GLU A 55 -10.070 30.158 -1.683 1.00 0.00 O ATOM 827 OE2 GLU A 55 -7.875 30.248 -1.622 1.00 0.00 O ATOM 0 H GLU A 55 -12.061 28.102 1.907 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.095 26.429 0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.845 29.028 0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.511 29.243 1.494 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.929 28.349 -0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.168 27.609 -1.026 1.00 0.00 H new ATOM 834 N GLU A 56 -9.801 26.959 3.758 1.00 0.00 N ATOM 835 CA GLU A 56 -8.970 26.742 4.939 1.00 0.00 C ATOM 836 C GLU A 56 -8.976 25.287 5.415 1.00 0.00 C ATOM 837 O GLU A 56 -7.972 24.582 5.307 1.00 0.00 O ATOM 838 CB GLU A 56 -9.426 27.654 6.079 1.00 0.00 C ATOM 839 CG GLU A 56 -8.338 28.587 6.583 1.00 0.00 C ATOM 840 CD GLU A 56 -8.881 29.700 7.457 1.00 0.00 C ATOM 841 OE1 GLU A 56 -10.090 29.998 7.355 1.00 0.00 O ATOM 842 OE2 GLU A 56 -8.098 30.275 8.243 1.00 0.00 O ATOM 0 H GLU A 56 -10.792 27.099 3.956 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.948 26.983 4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.275 28.248 5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.778 27.039 6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.605 28.012 7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.815 29.022 5.731 1.00 0.00 H new ATOM 849 N GLU A 57 -10.101 24.867 5.988 1.00 0.00 N ATOM 850 CA GLU A 57 -10.240 23.520 6.547 1.00 0.00 C ATOM 851 C GLU A 57 -10.030 22.400 5.527 1.00 0.00 C ATOM 852 O GLU A 57 -9.389 21.396 5.836 1.00 0.00 O ATOM 853 CB GLU A 57 -11.613 23.372 7.200 1.00 0.00 C ATOM 854 CG GLU A 57 -11.811 24.282 8.400 1.00 0.00 C ATOM 855 CD GLU A 57 -11.100 23.775 9.639 1.00 0.00 C ATOM 856 OE1 GLU A 57 -10.852 22.553 9.723 1.00 0.00 O ATOM 857 OE2 GLU A 57 -10.794 24.599 10.527 1.00 0.00 O ATOM 0 H GLU A 57 -10.937 25.444 6.079 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.446 23.413 7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.384 23.586 6.460 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.749 22.337 7.512 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.446 25.280 8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.877 24.375 8.609 1.00 0.00 H new ATOM 864 N ILE A 58 -10.581 22.548 4.328 1.00 0.00 N ATOM 865 CA ILE A 58 -10.450 21.512 3.304 1.00 0.00 C ATOM 866 C ILE A 58 -9.000 21.090 3.121 1.00 0.00 C ATOM 867 O ILE A 58 -8.654 19.929 3.329 1.00 0.00 O ATOM 868 CB ILE A 58 -11.017 21.975 1.953 1.00 0.00 C ATOM 869 CG1 ILE A 58 -12.478 22.375 2.125 1.00 0.00 C ATOM 870 CG2 ILE A 58 -10.878 20.879 0.904 1.00 0.00 C ATOM 871 CD1 ILE A 58 -13.138 22.857 0.853 1.00 0.00 C ATOM 0 H ILE A 58 -11.118 23.366 4.040 1.00 0.00 H new ATOM 0 HA ILE A 58 -11.028 20.657 3.654 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.450 22.839 1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -13.035 21.521 2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.542 23.162 2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.286 21.229 -0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.825 20.629 0.776 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -11.424 19.993 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.175 23.122 1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.608 23.732 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.108 22.065 0.105 1.00 0.00 H new ATOM 883 N ASN A 59 -8.155 22.038 2.737 1.00 0.00 N ATOM 884 CA ASN A 59 -6.735 21.746 2.535 1.00 0.00 C ATOM 885 C ASN A 59 -6.178 21.009 3.746 1.00 0.00 C ATOM 886 O ASN A 59 -5.353 20.105 3.616 1.00 0.00 O ATOM 887 CB ASN A 59 -5.914 23.024 2.282 1.00 0.00 C ATOM 888 CG ASN A 59 -6.721 24.302 2.410 1.00 0.00 C ATOM 889 OD1 ASN A 59 -7.792 24.434 1.816 1.00 0.00 O ATOM 890 ND2 ASN A 59 -6.211 25.249 3.188 1.00 0.00 N ATOM 0 H ASN A 59 -8.421 23.007 2.560 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.653 21.117 1.649 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.083 23.057 2.987 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.482 22.976 1.282 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.710 26.130 3.313 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.320 25.096 3.661 1.00 0.00 H new ATOM 897 N LEU A 60 -6.651 21.399 4.923 1.00 0.00 N ATOM 898 CA LEU A 60 -6.221 20.774 6.163 1.00 0.00 C ATOM 899 C LEU A 60 -6.822 19.378 6.291 1.00 0.00 C ATOM 900 O LEU A 60 -6.213 18.481 6.873 1.00 0.00 O ATOM 901 CB LEU A 60 -6.630 21.635 7.362 1.00 0.00 C ATOM 902 CG LEU A 60 -6.231 23.109 7.269 1.00 0.00 C ATOM 903 CD1 LEU A 60 -7.159 23.974 8.114 1.00 0.00 C ATOM 904 CD2 LEU A 60 -4.783 23.295 7.700 1.00 0.00 C ATOM 0 H LEU A 60 -7.334 22.147 5.043 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.135 20.687 6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.712 21.574 7.481 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.186 21.211 8.263 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.325 23.426 6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.857 25.018 8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.183 23.864 7.758 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.101 23.659 9.156 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.515 24.349 7.628 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.664 22.960 8.730 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.132 22.710 7.051 1.00 0.00 H new ATOM 916 N ALA A 61 -8.024 19.202 5.744 1.00 0.00 N ATOM 917 CA ALA A 61 -8.706 17.913 5.801 1.00 0.00 C ATOM 918 C ALA A 61 -8.279 16.996 4.654 1.00 0.00 C ATOM 919 O ALA A 61 -8.432 15.777 4.733 1.00 0.00 O ATOM 920 CB ALA A 61 -10.212 18.121 5.776 1.00 0.00 C ATOM 0 H ALA A 61 -8.543 19.934 5.258 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.423 17.426 6.734 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.714 17.154 5.819 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.510 18.723 6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.493 18.635 4.857 1.00 0.00 H new ATOM 926 N LYS A 62 -7.757 17.587 3.583 1.00 0.00 N ATOM 927 CA LYS A 62 -7.325 16.823 2.418 1.00 0.00 C ATOM 928 C LYS A 62 -5.931 16.229 2.625 1.00 0.00 C ATOM 929 O LYS A 62 -5.687 15.065 2.310 1.00 0.00 O ATOM 930 CB LYS A 62 -7.356 17.711 1.162 1.00 0.00 C ATOM 931 CG LYS A 62 -6.062 18.469 0.887 1.00 0.00 C ATOM 932 CD LYS A 62 -6.074 19.108 -0.493 1.00 0.00 C ATOM 933 CE LYS A 62 -7.112 20.214 -0.591 1.00 0.00 C ATOM 934 NZ LYS A 62 -7.673 20.330 -1.965 1.00 0.00 N ATOM 0 H LYS A 62 -7.623 18.595 3.498 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.018 15.993 2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.587 17.088 0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.169 18.431 1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.922 19.240 1.645 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.215 17.787 0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.087 19.514 -0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.281 18.347 -1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.919 20.018 0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.660 21.163 -0.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.351 21.220 -2.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.348 19.528 -2.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.712 20.324 -1.917 1.00 0.00 H new ATOM 948 N GLU A 63 -5.019 17.044 3.146 1.00 0.00 N ATOM 949 CA GLU A 63 -3.642 16.612 3.388 1.00 0.00 C ATOM 950 C GLU A 63 -3.588 15.371 4.278 1.00 0.00 C ATOM 951 O GLU A 63 -2.591 14.650 4.287 1.00 0.00 O ATOM 952 CB GLU A 63 -2.843 17.744 4.034 1.00 0.00 C ATOM 953 CG GLU A 63 -1.340 17.525 3.999 1.00 0.00 C ATOM 954 CD GLU A 63 -0.566 18.819 3.847 1.00 0.00 C ATOM 955 OE1 GLU A 63 -1.091 19.754 3.207 1.00 0.00 O ATOM 956 OE2 GLU A 63 0.567 18.899 4.368 1.00 0.00 O ATOM 0 H GLU A 63 -5.207 18.011 3.410 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.202 16.355 2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.077 18.679 3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.161 17.857 5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.028 17.025 4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.093 16.859 3.172 1.00 0.00 H new ATOM 963 N SER A 64 -4.660 15.127 5.021 1.00 0.00 N ATOM 964 CA SER A 64 -4.735 13.980 5.905 1.00 0.00 C ATOM 965 C SER A 64 -5.447 12.823 5.222 1.00 0.00 C ATOM 966 O SER A 64 -5.430 11.707 5.722 1.00 0.00 O ATOM 967 CB SER A 64 -5.460 14.350 7.201 1.00 0.00 C ATOM 968 OG SER A 64 -4.890 13.681 8.313 1.00 0.00 O ATOM 0 H SER A 64 -5.493 15.715 5.026 1.00 0.00 H new ATOM 0 HA SER A 64 -3.719 13.670 6.147 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.408 15.428 7.355 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.515 14.090 7.118 1.00 0.00 H new ATOM 0 HG SER A 64 -5.370 13.935 9.129 1.00 0.00 H new ATOM 974 N LEU A 65 -6.083 13.107 4.086 1.00 0.00 N ATOM 975 CA LEU A 65 -6.815 12.097 3.332 1.00 0.00 C ATOM 976 C LEU A 65 -5.936 11.478 2.247 1.00 0.00 C ATOM 977 O LEU A 65 -5.763 10.261 2.184 1.00 0.00 O ATOM 978 CB LEU A 65 -8.044 12.731 2.682 1.00 0.00 C ATOM 979 CG LEU A 65 -9.374 12.459 3.377 1.00 0.00 C ATOM 980 CD1 LEU A 65 -10.383 13.522 2.980 1.00 0.00 C ATOM 981 CD2 LEU A 65 -9.890 11.072 3.028 1.00 0.00 C ATOM 0 H LEU A 65 -6.104 14.037 3.667 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.121 11.312 4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.893 13.809 2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.113 12.375 1.654 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.224 12.498 4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.333 13.326 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.013 14.503 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.528 13.501 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.840 10.899 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.035 10.998 1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.166 10.323 3.349 1.00 0.00 H new ATOM 993 N GLU A 66 -5.401 12.338 1.386 1.00 0.00 N ATOM 994 CA GLU A 66 -4.545 11.916 0.275 1.00 0.00 C ATOM 995 C GLU A 66 -3.562 10.830 0.702 1.00 0.00 C ATOM 996 O GLU A 66 -3.638 9.692 0.237 1.00 0.00 O ATOM 997 CB GLU A 66 -3.781 13.115 -0.288 1.00 0.00 C ATOM 998 CG GLU A 66 -4.520 13.839 -1.402 1.00 0.00 C ATOM 999 CD GLU A 66 -3.593 14.644 -2.290 1.00 0.00 C ATOM 1000 OE1 GLU A 66 -2.875 14.031 -3.109 1.00 0.00 O ATOM 1001 OE2 GLU A 66 -3.583 15.887 -2.168 1.00 0.00 O ATOM 0 H GLU A 66 -5.546 13.346 1.436 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.191 11.500 -0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.579 13.818 0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.816 12.776 -0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.057 13.111 -2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.266 14.503 -0.966 1.00 0.00 H new ATOM 1008 N GLY A 67 -2.642 11.185 1.592 1.00 0.00 N ATOM 1009 CA GLY A 67 -1.665 10.224 2.068 1.00 0.00 C ATOM 1010 C GLY A 67 -2.236 9.281 3.112 1.00 0.00 C ATOM 1011 O GLY A 67 -1.501 8.509 3.728 1.00 0.00 O ATOM 0 H GLY A 67 -2.555 12.119 1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.291 9.643 1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.813 10.756 2.491 1.00 0.00 H new ATOM 1015 N ALA A 68 -3.551 9.343 3.312 1.00 0.00 N ATOM 1016 CA ALA A 68 -4.220 8.495 4.282 1.00 0.00 C ATOM 1017 C ALA A 68 -4.808 7.259 3.610 1.00 0.00 C ATOM 1018 O ALA A 68 -4.458 6.131 3.957 1.00 0.00 O ATOM 1019 CB ALA A 68 -5.303 9.282 4.992 1.00 0.00 C ATOM 0 H ALA A 68 -4.172 9.977 2.810 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.487 8.159 5.016 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.802 8.641 5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.857 10.134 5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.031 9.639 4.263 1.00 0.00 H new ATOM 1025 N ILE A 69 -5.686 7.474 2.630 1.00 0.00 N ATOM 1026 CA ILE A 69 -6.289 6.376 1.905 1.00 0.00 C ATOM 1027 C ILE A 69 -5.201 5.626 1.177 1.00 0.00 C ATOM 1028 O ILE A 69 -5.171 4.396 1.151 1.00 0.00 O ATOM 1029 CB ILE A 69 -7.321 6.864 0.866 1.00 0.00 C ATOM 1030 CG1 ILE A 69 -6.699 7.917 -0.059 1.00 0.00 C ATOM 1031 CG2 ILE A 69 -8.554 7.416 1.554 1.00 0.00 C ATOM 1032 CD1 ILE A 69 -7.690 8.560 -1.009 1.00 0.00 C ATOM 0 H ILE A 69 -5.989 8.399 2.327 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.805 5.741 2.625 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.624 6.011 0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.237 8.694 0.550 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.903 7.452 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -9.269 7.754 0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -9.010 6.636 2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -8.271 8.255 2.190 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.175 9.293 -1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -8.134 7.794 -1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -8.474 9.056 -0.436 1.00 0.00 H new ATOM 1044 N ALA A 70 -4.298 6.399 0.593 1.00 0.00 N ATOM 1045 CA ALA A 70 -3.179 5.841 -0.142 1.00 0.00 C ATOM 1046 C ALA A 70 -2.424 4.825 0.707 1.00 0.00 C ATOM 1047 O ALA A 70 -1.786 3.912 0.183 1.00 0.00 O ATOM 1048 CB ALA A 70 -2.247 6.948 -0.606 1.00 0.00 C ATOM 0 H ALA A 70 -4.321 7.418 0.616 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.569 5.325 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.412 6.514 -1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.792 7.634 -1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.868 7.491 0.260 1.00 0.00 H new ATOM 1054 N ARG A 71 -2.508 4.989 2.024 1.00 0.00 N ATOM 1055 CA ARG A 71 -1.842 4.087 2.951 1.00 0.00 C ATOM 1056 C ARG A 71 -2.627 2.788 3.099 1.00 0.00 C ATOM 1057 O ARG A 71 -2.152 1.719 2.717 1.00 0.00 O ATOM 1058 CB ARG A 71 -1.673 4.757 4.317 1.00 0.00 C ATOM 1059 CG ARG A 71 -0.280 4.602 4.902 1.00 0.00 C ATOM 1060 CD ARG A 71 0.764 5.303 4.048 1.00 0.00 C ATOM 1061 NE ARG A 71 1.846 5.863 4.854 1.00 0.00 N ATOM 1062 CZ ARG A 71 2.855 5.144 5.343 1.00 0.00 C ATOM 1063 NH1 ARG A 71 2.925 3.840 5.109 1.00 0.00 N ATOM 1064 NH2 ARG A 71 3.797 5.733 6.066 1.00 0.00 N ATOM 0 H ARG A 71 -3.033 5.741 2.472 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.857 3.852 2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.902 5.818 4.223 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.399 4.335 5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.261 5.012 5.912 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.034 3.543 4.983 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.177 4.596 3.328 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.289 6.100 3.476 1.00 0.00 H new ATOM 0 HE ARG A 71 1.828 6.863 5.054 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.204 3.382 4.552 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.700 3.295 5.486 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.749 6.736 6.247 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.570 5.184 6.441 1.00 0.00 H new ATOM 1078 N PHE A 72 -3.833 2.883 3.659 1.00 0.00 N ATOM 1079 CA PHE A 72 -4.678 1.721 3.861 1.00 0.00 C ATOM 1080 C PHE A 72 -4.824 0.886 2.590 1.00 0.00 C ATOM 1081 O PHE A 72 -4.809 -0.345 2.644 1.00 0.00 O ATOM 1082 CB PHE A 72 -6.051 2.171 4.346 1.00 0.00 C ATOM 1083 CG PHE A 72 -6.922 1.037 4.774 1.00 0.00 C ATOM 1084 CD1 PHE A 72 -7.338 0.090 3.861 1.00 0.00 C ATOM 1085 CD2 PHE A 72 -7.321 0.918 6.091 1.00 0.00 C ATOM 1086 CE1 PHE A 72 -8.132 -0.958 4.250 1.00 0.00 C ATOM 1087 CE2 PHE A 72 -8.119 -0.133 6.491 1.00 0.00 C ATOM 1088 CZ PHE A 72 -8.525 -1.073 5.572 1.00 0.00 C ATOM 0 H PHE A 72 -4.242 3.760 3.980 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.202 1.089 4.611 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.927 2.861 5.181 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.549 2.722 3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.035 0.175 2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -7.005 1.655 6.814 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.450 -1.693 3.526 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -8.425 -0.218 7.523 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.149 -1.899 5.881 1.00 0.00 H new ATOM 1098 N ASN A 73 -4.986 1.554 1.452 1.00 0.00 N ATOM 1099 CA ASN A 73 -5.157 0.871 0.170 1.00 0.00 C ATOM 1100 C ASN A 73 -4.201 -0.309 0.040 1.00 0.00 C ATOM 1101 O ASN A 73 -4.575 -1.375 -0.450 1.00 0.00 O ATOM 1102 CB ASN A 73 -4.936 1.845 -0.987 1.00 0.00 C ATOM 1103 CG ASN A 73 -6.179 2.650 -1.307 1.00 0.00 C ATOM 1104 OD1 ASN A 73 -7.226 2.094 -1.637 1.00 0.00 O ATOM 1105 ND2 ASN A 73 -6.067 3.968 -1.213 1.00 0.00 N ATOM 0 H ASN A 73 -5.003 2.572 1.390 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.178 0.492 0.131 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -4.121 2.524 -0.737 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.628 1.289 -1.873 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.869 4.564 -1.418 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.179 4.386 -0.936 1.00 0.00 H new ATOM 1112 N SER A 74 -2.968 -0.107 0.480 1.00 0.00 N ATOM 1113 CA SER A 74 -1.956 -1.153 0.412 1.00 0.00 C ATOM 1114 C SER A 74 -1.654 -1.728 1.796 1.00 0.00 C ATOM 1115 O SER A 74 -0.499 -2.007 2.121 1.00 0.00 O ATOM 1116 CB SER A 74 -0.675 -0.606 -0.218 1.00 0.00 C ATOM 1117 OG SER A 74 -0.810 -0.485 -1.624 1.00 0.00 O ATOM 0 H SER A 74 -2.643 0.770 0.888 1.00 0.00 H new ATOM 0 HA SER A 74 -2.348 -1.958 -0.209 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.441 0.367 0.213 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.160 -1.267 0.015 1.00 0.00 H new ATOM 0 HG SER A 74 0.022 -0.132 -2.003 1.00 0.00 H new ATOM 1123 N LEU A 75 -2.694 -1.910 2.607 1.00 0.00 N ATOM 1124 CA LEU A 75 -2.523 -2.460 3.951 1.00 0.00 C ATOM 1125 C LEU A 75 -3.149 -3.850 4.061 1.00 0.00 C ATOM 1126 O LEU A 75 -2.700 -4.681 4.851 1.00 0.00 O ATOM 1127 CB LEU A 75 -3.120 -1.519 5.002 1.00 0.00 C ATOM 1128 CG LEU A 75 -2.090 -0.746 5.830 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -1.554 0.442 5.046 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -2.697 -0.284 7.145 1.00 0.00 C ATOM 0 H LEU A 75 -3.658 -1.687 2.360 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.454 -2.555 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.773 -0.804 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.745 -2.102 5.678 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.259 -1.416 6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.824 0.978 5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.078 0.089 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.376 1.111 4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.949 0.263 7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.548 0.367 6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.030 -1.150 7.716 1.00 0.00 H new ATOM 1142 N LEU A 76 -4.167 -4.104 3.245 1.00 0.00 N ATOM 1143 CA LEU A 76 -4.851 -5.396 3.219 1.00 0.00 C ATOM 1144 C LEU A 76 -3.994 -6.434 2.523 1.00 0.00 C ATOM 1145 O LEU A 76 -4.470 -7.167 1.655 1.00 0.00 O ATOM 1146 CB LEU A 76 -6.195 -5.272 2.491 1.00 0.00 C ATOM 1147 CG LEU A 76 -6.197 -4.400 1.224 1.00 0.00 C ATOM 1148 CD1 LEU A 76 -6.474 -2.946 1.579 1.00 0.00 C ATOM 1149 CD2 LEU A 76 -4.883 -4.532 0.447 1.00 0.00 C ATOM 0 H LEU A 76 -4.542 -3.423 2.584 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.027 -5.710 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.533 -6.272 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.928 -4.866 3.189 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.996 -4.757 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.472 -2.343 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.447 -2.869 2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.701 -2.583 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.921 -3.902 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.053 -4.217 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.739 -5.571 0.149 1.00 0.00 H new ATOM 1161 N ILE A 77 -2.718 -6.478 2.889 1.00 0.00 N ATOM 1162 CA ILE A 77 -1.793 -7.411 2.269 1.00 0.00 C ATOM 1163 C ILE A 77 -1.959 -7.319 0.773 1.00 0.00 C ATOM 1164 O ILE A 77 -2.445 -8.249 0.129 1.00 0.00 O ATOM 1165 CB ILE A 77 -2.033 -8.846 2.775 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -1.635 -8.928 4.250 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -1.255 -9.860 1.948 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -2.371 -9.992 5.025 1.00 0.00 C ATOM 0 H ILE A 77 -2.305 -5.882 3.607 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.769 -7.152 2.538 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.091 -9.088 2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.564 -9.120 4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.816 -7.961 4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.445 -10.863 2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.573 -9.801 0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.189 -9.642 2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.033 -9.987 6.061 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.442 -9.791 4.991 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.171 -10.968 4.583 1.00 0.00 H new ATOM 1180 N GLU A 78 -1.586 -6.145 0.249 1.00 0.00 N ATOM 1181 CA GLU A 78 -1.706 -5.833 -1.168 1.00 0.00 C ATOM 1182 C GLU A 78 -2.044 -7.061 -1.981 1.00 0.00 C ATOM 1183 O GLU A 78 -1.393 -8.101 -1.879 1.00 0.00 O ATOM 1184 CB GLU A 78 -0.435 -5.176 -1.693 1.00 0.00 C ATOM 1185 CG GLU A 78 -0.093 -3.886 -0.969 1.00 0.00 C ATOM 1186 CD GLU A 78 0.532 -2.853 -1.885 1.00 0.00 C ATOM 1187 OE1 GLU A 78 -0.082 -2.529 -2.923 1.00 0.00 O ATOM 1188 OE2 GLU A 78 1.636 -2.366 -1.563 1.00 0.00 O ATOM 0 H GLU A 78 -1.191 -5.386 0.804 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.528 -5.126 -1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.396 -5.874 -1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.552 -4.969 -2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.998 -3.472 -0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.593 -4.104 -0.151 1.00 0.00 H new ATOM 1195 N GLU A 79 -3.079 -6.918 -2.777 1.00 0.00 N ATOM 1196 CA GLU A 79 -3.572 -7.988 -3.626 1.00 0.00 C ATOM 1197 C GLU A 79 -2.429 -8.795 -4.257 1.00 0.00 C ATOM 1198 O GLU A 79 -2.619 -9.949 -4.641 1.00 0.00 O ATOM 1199 CB GLU A 79 -4.492 -7.390 -4.684 1.00 0.00 C ATOM 1200 CG GLU A 79 -5.566 -6.475 -4.091 1.00 0.00 C ATOM 1201 CD GLU A 79 -6.082 -5.459 -5.091 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -5.262 -4.686 -5.630 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -7.307 -5.437 -5.335 1.00 0.00 O ATOM 0 H GLU A 79 -3.609 -6.050 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.135 -8.695 -3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.895 -6.825 -5.400 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.974 -8.196 -5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.398 -7.082 -3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.156 -5.953 -3.226 1.00 0.00 H new ATOM 1210 N SER A 80 -1.241 -8.192 -4.342 1.00 0.00 N ATOM 1211 CA SER A 80 -0.083 -8.875 -4.901 1.00 0.00 C ATOM 1212 C SER A 80 1.194 -8.590 -4.096 1.00 0.00 C ATOM 1213 O SER A 80 2.277 -8.493 -4.672 1.00 0.00 O ATOM 1214 CB SER A 80 0.121 -8.457 -6.358 1.00 0.00 C ATOM 1215 OG SER A 80 -1.091 -8.002 -6.933 1.00 0.00 O ATOM 0 H SER A 80 -1.061 -7.237 -4.031 1.00 0.00 H new ATOM 0 HA SER A 80 -0.278 -9.946 -4.849 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.871 -7.668 -6.411 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.505 -9.301 -6.931 1.00 0.00 H new ATOM 0 HG SER A 80 -0.933 -7.739 -7.864 1.00 0.00 H new ATOM 1221 N THR A 81 1.076 -8.456 -2.766 1.00 0.00 N ATOM 1222 CA THR A 81 2.251 -8.184 -1.932 1.00 0.00 C ATOM 1223 C THR A 81 3.188 -9.374 -1.862 1.00 0.00 C ATOM 1224 O THR A 81 4.331 -9.242 -1.423 1.00 0.00 O ATOM 1225 CB THR A 81 1.840 -7.769 -0.526 1.00 0.00 C ATOM 1226 OG1 THR A 81 0.459 -7.984 -0.318 1.00 0.00 O ATOM 1227 CG2 THR A 81 2.146 -6.319 -0.260 1.00 0.00 C ATOM 0 H THR A 81 0.196 -8.530 -2.255 1.00 0.00 H new ATOM 0 HA THR A 81 2.786 -7.361 -2.405 1.00 0.00 H new ATOM 0 HB THR A 81 2.418 -8.386 0.162 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.301 -8.931 -0.121 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.838 -6.062 0.753 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.217 -6.147 -0.368 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.605 -5.696 -0.972 1.00 0.00 H new ATOM 1235 N GLY A 82 2.719 -10.530 -2.306 1.00 0.00 N ATOM 1236 CA GLY A 82 3.560 -11.711 -2.294 1.00 0.00 C ATOM 1237 C GLY A 82 4.937 -11.448 -2.889 1.00 0.00 C ATOM 1238 O GLY A 82 5.871 -12.213 -2.668 1.00 0.00 O ATOM 0 H GLY A 82 1.778 -10.673 -2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.671 -12.064 -1.269 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.071 -12.508 -2.854 1.00 0.00 H new ATOM 1242 N ASP A 83 5.064 -10.354 -3.642 1.00 0.00 N ATOM 1243 CA ASP A 83 6.336 -9.999 -4.260 1.00 0.00 C ATOM 1244 C ASP A 83 7.186 -9.156 -3.315 1.00 0.00 C ATOM 1245 O ASP A 83 7.245 -7.933 -3.440 1.00 0.00 O ATOM 1246 CB ASP A 83 6.098 -9.237 -5.566 1.00 0.00 C ATOM 1247 CG ASP A 83 5.964 -10.163 -6.759 1.00 0.00 C ATOM 1248 OD1 ASP A 83 5.212 -11.155 -6.660 1.00 0.00 O ATOM 1249 OD2 ASP A 83 6.612 -9.896 -7.793 1.00 0.00 O ATOM 0 H ASP A 83 4.303 -9.703 -3.836 1.00 0.00 H new ATOM 0 HA ASP A 83 6.874 -10.922 -4.477 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.194 -8.636 -5.473 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.924 -8.547 -5.736 1.00 0.00 H new ATOM 1254 N PHE A 84 7.843 -9.819 -2.369 1.00 0.00 N ATOM 1255 CA PHE A 84 8.689 -9.133 -1.401 1.00 0.00 C ATOM 1256 C PHE A 84 9.893 -8.498 -2.080 1.00 0.00 C ATOM 1257 O PHE A 84 10.033 -7.275 -2.109 1.00 0.00 O ATOM 1258 CB PHE A 84 9.172 -10.110 -0.325 1.00 0.00 C ATOM 1259 CG PHE A 84 8.275 -10.197 0.879 1.00 0.00 C ATOM 1260 CD1 PHE A 84 7.516 -9.111 1.281 1.00 0.00 C ATOM 1261 CD2 PHE A 84 8.199 -11.370 1.610 1.00 0.00 C ATOM 1262 CE1 PHE A 84 6.700 -9.191 2.389 1.00 0.00 C ATOM 1263 CE2 PHE A 84 7.383 -11.456 2.720 1.00 0.00 C ATOM 1264 CZ PHE A 84 6.632 -10.364 3.110 1.00 0.00 C ATOM 0 H PHE A 84 7.805 -10.832 -2.253 1.00 0.00 H new ATOM 0 HA PHE A 84 8.091 -8.348 -0.938 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.265 -11.102 -0.767 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.169 -9.811 -0.000 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.564 -8.190 0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.784 -12.226 1.309 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.114 -8.336 2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.332 -12.376 3.283 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.993 -10.429 3.978 1.00 0.00 H new ATOM 1274 N ASN A 85 10.759 -9.340 -2.625 1.00 0.00 N ATOM 1275 CA ASN A 85 11.956 -8.866 -3.306 1.00 0.00 C ATOM 1276 C ASN A 85 11.581 -8.007 -4.504 1.00 0.00 C ATOM 1277 O ASN A 85 12.392 -7.227 -5.003 1.00 0.00 O ATOM 1278 CB ASN A 85 12.812 -10.044 -3.780 1.00 0.00 C ATOM 1279 CG ASN A 85 12.833 -11.205 -2.804 1.00 0.00 C ATOM 1280 OD1 ASN A 85 12.174 -11.178 -1.766 1.00 0.00 O ATOM 1281 ND2 ASN A 85 13.592 -12.238 -3.137 1.00 0.00 N ATOM 0 H ASN A 85 10.656 -10.355 -2.609 1.00 0.00 H new ATOM 0 HA ASN A 85 12.530 -8.269 -2.597 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.435 -10.394 -4.741 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.833 -9.699 -3.944 1.00 0.00 H new ATOM 0 HD21 ASN A 85 13.645 -13.051 -2.523 1.00 0.00 H new ATOM 0 HD22 ASN A 85 14.123 -12.221 -4.008 1.00 0.00 H new ATOM 1288 N GLY A 86 10.351 -8.175 -4.977 1.00 0.00 N ATOM 1289 CA GLY A 86 9.898 -7.428 -6.132 1.00 0.00 C ATOM 1290 C GLY A 86 10.408 -8.039 -7.422 1.00 0.00 C ATOM 1291 O GLY A 86 10.172 -7.512 -8.509 1.00 0.00 O ATOM 0 H GLY A 86 9.662 -8.814 -4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.808 -7.402 -6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.240 -6.396 -6.057 1.00 0.00 H new ATOM 1295 N ASN A 87 11.115 -9.161 -7.292 1.00 0.00 N ATOM 1296 CA ASN A 87 11.671 -9.859 -8.445 1.00 0.00 C ATOM 1297 C ASN A 87 10.656 -10.841 -9.031 1.00 0.00 C ATOM 1298 O ASN A 87 10.718 -11.177 -10.213 1.00 0.00 O ATOM 1299 CB ASN A 87 12.958 -10.590 -8.040 1.00 0.00 C ATOM 1300 CG ASN A 87 13.344 -11.697 -9.004 1.00 0.00 C ATOM 1301 OD1 ASN A 87 13.989 -11.453 -10.023 1.00 0.00 O ATOM 1302 ND2 ASN A 87 12.946 -12.923 -8.682 1.00 0.00 N ATOM 0 H ASN A 87 11.315 -9.605 -6.396 1.00 0.00 H new ATOM 0 HA ASN A 87 11.908 -9.125 -9.215 1.00 0.00 H new ATOM 0 HB2 ASN A 87 13.774 -9.870 -7.978 1.00 0.00 H new ATOM 0 HB3 ASN A 87 12.830 -11.013 -7.043 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.174 -13.709 -9.290 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.413 -13.078 -7.826 1.00 0.00 H new ATOM 1309 N GLY A 88 9.721 -11.294 -8.201 1.00 0.00 N ATOM 1310 CA GLY A 88 8.711 -12.227 -8.664 1.00 0.00 C ATOM 1311 C GLY A 88 8.960 -13.648 -8.194 1.00 0.00 C ATOM 1312 O GLY A 88 9.045 -14.571 -9.004 1.00 0.00 O ATOM 0 H GLY A 88 9.645 -11.032 -7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.733 -11.900 -8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.680 -12.210 -9.753 1.00 0.00 H new ATOM 1316 N LYS A 89 9.068 -13.826 -6.881 1.00 0.00 N ATOM 1317 CA LYS A 89 9.299 -15.145 -6.304 1.00 0.00 C ATOM 1318 C LYS A 89 8.870 -15.170 -4.842 1.00 0.00 C ATOM 1319 O LYS A 89 9.434 -14.462 -4.008 1.00 0.00 O ATOM 1320 CB LYS A 89 10.773 -15.536 -6.428 1.00 0.00 C ATOM 1321 CG LYS A 89 11.726 -14.560 -5.758 1.00 0.00 C ATOM 1322 CD LYS A 89 13.176 -14.933 -6.020 1.00 0.00 C ATOM 1323 CE LYS A 89 14.059 -14.632 -4.820 1.00 0.00 C ATOM 1324 NZ LYS A 89 14.958 -15.773 -4.492 1.00 0.00 N ATOM 0 H LYS A 89 8.999 -13.073 -6.197 1.00 0.00 H new ATOM 0 HA LYS A 89 8.700 -15.869 -6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.915 -16.525 -5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.031 -15.614 -7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.536 -13.552 -6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.540 -14.547 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.241 -15.994 -6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.542 -14.384 -6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.658 -13.745 -5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.433 -14.403 -3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 15.470 -15.569 -3.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 14.392 -16.637 -4.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 15.641 -15.910 -5.264 1.00 0.00 H new ATOM 1338 N ILE A 90 7.861 -15.978 -4.540 1.00 0.00 N ATOM 1339 CA ILE A 90 7.350 -16.083 -3.178 1.00 0.00 C ATOM 1340 C ILE A 90 7.686 -17.437 -2.568 1.00 0.00 C ATOM 1341 O ILE A 90 7.076 -18.451 -2.907 1.00 0.00 O ATOM 1342 CB ILE A 90 5.819 -15.871 -3.113 1.00 0.00 C ATOM 1343 CG1 ILE A 90 5.300 -15.183 -4.382 1.00 0.00 C ATOM 1344 CG2 ILE A 90 5.455 -15.057 -1.880 1.00 0.00 C ATOM 1345 CD1 ILE A 90 6.041 -13.911 -4.734 1.00 0.00 C ATOM 0 H ILE A 90 7.381 -16.569 -5.218 1.00 0.00 H new ATOM 0 HA ILE A 90 7.837 -15.292 -2.607 1.00 0.00 H new ATOM 0 HB ILE A 90 5.343 -16.849 -3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.374 -15.879 -5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.243 -14.952 -4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.375 -14.914 -1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.781 -15.587 -0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.948 -14.086 -1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.617 -13.483 -5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.945 -13.196 -3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.095 -14.137 -4.897 1.00 0.00 H new ATOM 1357 N ASP A 91 8.658 -17.446 -1.663 1.00 0.00 N ATOM 1358 CA ASP A 91 9.074 -18.679 -1.002 1.00 0.00 C ATOM 1359 C ASP A 91 10.230 -18.417 -0.047 1.00 0.00 C ATOM 1360 O ASP A 91 10.110 -18.620 1.160 1.00 0.00 O ATOM 1361 CB ASP A 91 9.481 -19.731 -2.038 1.00 0.00 C ATOM 1362 CG ASP A 91 8.975 -21.116 -1.683 1.00 0.00 C ATOM 1363 OD1 ASP A 91 8.715 -21.365 -0.487 1.00 0.00 O ATOM 1364 OD2 ASP A 91 8.836 -21.951 -2.602 1.00 0.00 O ATOM 0 H ASP A 91 9.172 -16.615 -1.370 1.00 0.00 H new ATOM 0 HA ASP A 91 8.228 -19.056 -0.428 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.092 -19.444 -3.015 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.568 -19.754 -2.121 1.00 0.00 H new ATOM 1369 N ILE A 92 11.351 -17.963 -0.595 1.00 0.00 N ATOM 1370 CA ILE A 92 12.527 -17.672 0.213 1.00 0.00 C ATOM 1371 C ILE A 92 12.439 -16.282 0.825 1.00 0.00 C ATOM 1372 O ILE A 92 13.030 -16.016 1.871 1.00 0.00 O ATOM 1373 CB ILE A 92 13.825 -17.776 -0.602 1.00 0.00 C ATOM 1374 CG1 ILE A 92 15.033 -17.539 0.314 1.00 0.00 C ATOM 1375 CG2 ILE A 92 13.804 -16.795 -1.770 1.00 0.00 C ATOM 1376 CD1 ILE A 92 15.561 -16.116 0.302 1.00 0.00 C ATOM 0 H ILE A 92 11.469 -17.789 -1.593 1.00 0.00 H new ATOM 0 HA ILE A 92 12.551 -18.421 1.005 1.00 0.00 H new ATOM 0 HB ILE A 92 13.908 -18.779 -1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 92 14.756 -17.802 1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 92 15.836 -18.214 0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 92 14.731 -16.883 -2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 92 12.959 -17.022 -2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 92 13.706 -15.778 -1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 92 16.414 -16.039 0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 92 15.873 -15.852 -0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 92 14.776 -15.434 0.629 1.00 0.00 H new ATOM 1388 N GLY A 93 11.687 -15.401 0.174 1.00 0.00 N ATOM 1389 CA GLY A 93 11.531 -14.056 0.686 1.00 0.00 C ATOM 1390 C GLY A 93 10.708 -14.021 1.959 1.00 0.00 C ATOM 1391 O GLY A 93 10.484 -12.955 2.533 1.00 0.00 O ATOM 0 H GLY A 93 11.186 -15.594 -0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.514 -13.626 0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.053 -13.434 -0.071 1.00 0.00 H new ATOM 1395 N ASP A 94 10.256 -15.193 2.402 1.00 0.00 N ATOM 1396 CA ASP A 94 9.453 -15.296 3.614 1.00 0.00 C ATOM 1397 C ASP A 94 10.338 -15.282 4.854 1.00 0.00 C ATOM 1398 O ASP A 94 10.118 -14.499 5.779 1.00 0.00 O ATOM 1399 CB ASP A 94 8.622 -16.580 3.587 1.00 0.00 C ATOM 1400 CG ASP A 94 7.757 -16.737 4.824 1.00 0.00 C ATOM 1401 OD1 ASP A 94 7.190 -15.724 5.284 1.00 0.00 O ATOM 1402 OD2 ASP A 94 7.647 -17.874 5.331 1.00 0.00 O ATOM 0 H ASP A 94 10.434 -16.084 1.938 1.00 0.00 H new ATOM 0 HA ASP A 94 8.786 -14.435 3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.987 -16.580 2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 94 9.288 -17.439 3.502 1.00 0.00 H new ATOM 1407 N LEU A 95 11.334 -16.158 4.868 1.00 0.00 N ATOM 1408 CA LEU A 95 12.252 -16.254 5.999 1.00 0.00 C ATOM 1409 C LEU A 95 13.627 -15.701 5.641 1.00 0.00 C ATOM 1410 O LEU A 95 14.641 -16.141 6.183 1.00 0.00 O ATOM 1411 CB LEU A 95 12.377 -17.709 6.455 1.00 0.00 C ATOM 1412 CG LEU A 95 11.301 -18.175 7.437 1.00 0.00 C ATOM 1413 CD1 LEU A 95 11.016 -19.656 7.253 1.00 0.00 C ATOM 1414 CD2 LEU A 95 11.726 -17.884 8.869 1.00 0.00 C ATOM 0 H LEU A 95 11.528 -16.813 4.110 1.00 0.00 H new ATOM 0 HA LEU A 95 11.846 -15.655 6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 95 12.348 -18.353 5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 95 13.354 -17.846 6.919 1.00 0.00 H new ATOM 0 HG LEU A 95 10.384 -17.623 7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.248 -19.969 7.960 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.668 -19.836 6.236 1.00 0.00 H new ATOM 0 HD13 LEU A 95 11.927 -20.227 7.431 1.00 0.00 H new ATOM 0 HD21 LEU A 95 10.949 -18.222 9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.656 -18.410 9.087 1.00 0.00 H new ATOM 0 HD23 LEU A 95 11.878 -16.812 8.993 1.00 0.00 H new ATOM 1426 N ALA A 96 13.659 -14.740 4.723 1.00 0.00 N ATOM 1427 CA ALA A 96 14.918 -14.141 4.298 1.00 0.00 C ATOM 1428 C ALA A 96 14.763 -12.656 3.972 1.00 0.00 C ATOM 1429 O ALA A 96 15.664 -11.863 4.238 1.00 0.00 O ATOM 1430 CB ALA A 96 15.473 -14.888 3.095 1.00 0.00 C ATOM 0 H ALA A 96 12.832 -14.361 4.262 1.00 0.00 H new ATOM 0 HA ALA A 96 15.618 -14.222 5.129 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.414 -14.432 2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.646 -15.931 3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 96 14.758 -14.837 2.274 1.00 0.00 H new ATOM 1436 N MET A 97 13.631 -12.289 3.380 1.00 0.00 N ATOM 1437 CA MET A 97 13.383 -10.897 3.008 1.00 0.00 C ATOM 1438 C MET A 97 12.704 -10.115 4.130 1.00 0.00 C ATOM 1439 O MET A 97 13.325 -9.275 4.781 1.00 0.00 O ATOM 1440 CB MET A 97 12.520 -10.833 1.744 1.00 0.00 C ATOM 1441 CG MET A 97 13.122 -9.998 0.624 1.00 0.00 C ATOM 1442 SD MET A 97 13.724 -8.393 1.184 1.00 0.00 S ATOM 1443 CE MET A 97 13.352 -7.384 -0.247 1.00 0.00 C ATOM 0 H MET A 97 12.873 -12.931 3.148 1.00 0.00 H new ATOM 0 HA MET A 97 14.353 -10.437 2.818 1.00 0.00 H new ATOM 0 HB2 MET A 97 12.354 -11.846 1.378 1.00 0.00 H new ATOM 0 HB3 MET A 97 11.544 -10.424 2.004 1.00 0.00 H new ATOM 0 HG2 MET A 97 13.945 -10.550 0.170 1.00 0.00 H new ATOM 0 HG3 MET A 97 12.372 -9.847 -0.152 1.00 0.00 H new ATOM 0 HE1 MET A 97 13.377 -6.331 0.034 1.00 0.00 H new ATOM 0 HE2 MET A 97 14.092 -7.570 -1.026 1.00 0.00 H new ATOM 0 HE3 MET A 97 12.360 -7.636 -0.622 1.00 0.00 H new ATOM 1453 N VAL A 98 11.414 -10.374 4.322 1.00 0.00 N ATOM 1454 CA VAL A 98 10.632 -9.673 5.333 1.00 0.00 C ATOM 1455 C VAL A 98 11.243 -9.776 6.731 1.00 0.00 C ATOM 1456 O VAL A 98 11.660 -8.767 7.298 1.00 0.00 O ATOM 1457 CB VAL A 98 9.161 -10.157 5.345 1.00 0.00 C ATOM 1458 CG1 VAL A 98 9.074 -11.670 5.477 1.00 0.00 C ATOM 1459 CG2 VAL A 98 8.363 -9.474 6.448 1.00 0.00 C ATOM 0 H VAL A 98 10.888 -11.066 3.789 1.00 0.00 H new ATOM 0 HA VAL A 98 10.649 -8.620 5.053 1.00 0.00 H new ATOM 0 HB VAL A 98 8.721 -9.878 4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.028 -11.975 5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.585 -12.139 4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.547 -11.982 6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.335 -9.835 6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 98 8.811 -9.702 7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.372 -8.396 6.289 1.00 0.00 H new ATOM 1469 N SER A 99 11.306 -10.976 7.296 1.00 0.00 N ATOM 1470 CA SER A 99 11.863 -11.140 8.636 1.00 0.00 C ATOM 1471 C SER A 99 13.278 -10.573 8.756 1.00 0.00 C ATOM 1472 O SER A 99 13.844 -10.544 9.849 1.00 0.00 O ATOM 1473 CB SER A 99 11.854 -12.604 9.060 1.00 0.00 C ATOM 1474 OG SER A 99 10.996 -13.375 8.237 1.00 0.00 O ATOM 0 H SER A 99 10.984 -11.838 6.857 1.00 0.00 H new ATOM 0 HA SER A 99 11.220 -10.570 9.306 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.866 -13.005 9.010 1.00 0.00 H new ATOM 0 HB3 SER A 99 11.531 -12.682 10.098 1.00 0.00 H new ATOM 0 HG SER A 99 11.012 -14.309 8.532 1.00 0.00 H new ATOM 1480 N LYS A 100 13.857 -10.138 7.641 1.00 0.00 N ATOM 1481 CA LYS A 100 15.206 -9.598 7.656 1.00 0.00 C ATOM 1482 C LYS A 100 15.310 -8.329 8.482 1.00 0.00 C ATOM 1483 O LYS A 100 16.026 -8.291 9.483 1.00 0.00 O ATOM 1484 CB LYS A 100 15.695 -9.337 6.232 1.00 0.00 C ATOM 1485 CG LYS A 100 17.185 -9.046 6.143 1.00 0.00 C ATOM 1486 CD LYS A 100 17.466 -7.553 6.204 1.00 0.00 C ATOM 1487 CE LYS A 100 16.888 -6.826 5.001 1.00 0.00 C ATOM 1488 NZ LYS A 100 17.175 -7.542 3.728 1.00 0.00 N ATOM 0 H LYS A 100 13.414 -10.150 6.722 1.00 0.00 H new ATOM 0 HA LYS A 100 15.843 -10.348 8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 100 15.465 -10.204 5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 100 15.143 -8.494 5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 100 17.704 -9.549 6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 100 17.582 -9.454 5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 100 17.041 -7.139 7.119 1.00 0.00 H new ATOM 0 HD3 LYS A 100 18.542 -7.386 6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.810 -6.722 5.124 1.00 0.00 H new ATOM 0 HE3 LYS A 100 17.302 -5.819 4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 17.013 -6.901 2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 18.166 -7.859 3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.548 -8.367 3.645 1.00 0.00 H new ATOM 1502 N ASN A 101 14.611 -7.289 8.064 1.00 0.00 N ATOM 1503 CA ASN A 101 14.658 -6.031 8.785 1.00 0.00 C ATOM 1504 C ASN A 101 13.719 -6.054 9.983 1.00 0.00 C ATOM 1505 O ASN A 101 14.109 -5.666 11.083 1.00 0.00 O ATOM 1506 CB ASN A 101 14.329 -4.858 7.860 1.00 0.00 C ATOM 1507 CG ASN A 101 13.037 -5.055 7.094 1.00 0.00 C ATOM 1508 OD1 ASN A 101 11.983 -4.580 7.511 1.00 0.00 O ATOM 1509 ND2 ASN A 101 13.115 -5.750 5.966 1.00 0.00 N ATOM 0 H ASN A 101 14.011 -7.290 7.239 1.00 0.00 H new ATOM 0 HA ASN A 101 15.674 -5.895 9.155 1.00 0.00 H new ATOM 0 HB2 ASN A 101 14.259 -3.945 8.451 1.00 0.00 H new ATOM 0 HB3 ASN A 101 15.147 -4.719 7.153 1.00 0.00 H new ATOM 0 HD21 ASN A 101 12.277 -5.909 5.406 1.00 0.00 H new ATOM 0 HD22 ASN A 101 14.012 -6.125 5.659 1.00 0.00 H new ATOM 1516 N ILE A 102 12.478 -6.502 9.770 1.00 0.00 N ATOM 1517 CA ILE A 102 11.491 -6.556 10.836 1.00 0.00 C ATOM 1518 C ILE A 102 11.496 -5.269 11.642 1.00 0.00 C ATOM 1519 O ILE A 102 12.341 -5.054 12.510 1.00 0.00 O ATOM 1520 CB ILE A 102 11.711 -7.768 11.768 1.00 0.00 C ATOM 1521 CG1 ILE A 102 11.406 -9.064 11.017 1.00 0.00 C ATOM 1522 CG2 ILE A 102 10.848 -7.663 13.024 1.00 0.00 C ATOM 1523 CD1 ILE A 102 9.923 -9.349 10.857 1.00 0.00 C ATOM 0 H ILE A 102 12.139 -6.831 8.866 1.00 0.00 H new ATOM 0 HA ILE A 102 10.516 -6.674 10.362 1.00 0.00 H new ATOM 0 HB ILE A 102 12.755 -7.774 12.082 1.00 0.00 H new ATOM 0 HG12 ILE A 102 11.865 -9.017 10.030 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.871 -9.896 11.545 1.00 0.00 H new ATOM 0 HG21 ILE A 102 11.025 -8.530 13.660 1.00 0.00 H new ATOM 0 HG22 ILE A 102 11.107 -6.755 13.568 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.796 -7.629 12.741 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.789 -10.285 10.314 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.460 -9.430 11.840 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.454 -8.537 10.301 1.00 0.00 H new ATOM 1535 N GLY A 103 10.535 -4.423 11.337 1.00 0.00 N ATOM 1536 CA GLY A 103 10.419 -3.152 12.022 1.00 0.00 C ATOM 1537 C GLY A 103 11.475 -2.158 11.578 1.00 0.00 C ATOM 1538 O GLY A 103 12.039 -1.435 12.400 1.00 0.00 O ATOM 0 H GLY A 103 9.826 -4.590 10.623 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.430 -2.733 11.839 1.00 0.00 H new ATOM 0 HA3 GLY A 103 10.504 -3.312 13.097 1.00 0.00 H new ATOM 1542 N SER A 104 11.748 -2.122 10.276 1.00 0.00 N ATOM 1543 CA SER A 104 12.749 -1.209 9.730 1.00 0.00 C ATOM 1544 C SER A 104 12.202 0.211 9.618 1.00 0.00 C ATOM 1545 O SER A 104 12.799 1.159 10.128 1.00 0.00 O ATOM 1546 CB SER A 104 13.217 -1.693 8.357 1.00 0.00 C ATOM 1547 OG SER A 104 14.631 -1.769 8.296 1.00 0.00 O ATOM 0 H SER A 104 11.292 -2.713 9.581 1.00 0.00 H new ATOM 0 HA SER A 104 13.596 -1.196 10.416 1.00 0.00 H new ATOM 0 HB2 SER A 104 12.788 -2.673 8.148 1.00 0.00 H new ATOM 0 HB3 SER A 104 12.853 -1.015 7.586 1.00 0.00 H new ATOM 0 HG SER A 104 14.900 -2.201 7.458 1.00 0.00 H new ATOM 1553 N THR A 105 11.067 0.351 8.940 1.00 0.00 N ATOM 1554 CA THR A 105 10.439 1.657 8.750 1.00 0.00 C ATOM 1555 C THR A 105 11.203 2.478 7.715 1.00 0.00 C ATOM 1556 O THR A 105 11.228 3.707 7.777 1.00 0.00 O ATOM 1557 CB THR A 105 10.366 2.421 10.074 1.00 0.00 C ATOM 1558 OG1 THR A 105 10.196 1.528 11.160 1.00 0.00 O ATOM 1559 CG2 THR A 105 9.235 3.426 10.124 1.00 0.00 C ATOM 0 H THR A 105 10.562 -0.425 8.512 1.00 0.00 H new ATOM 0 HA THR A 105 9.425 1.492 8.386 1.00 0.00 H new ATOM 0 HB THR A 105 11.311 2.958 10.149 1.00 0.00 H new ATOM 0 HG1 THR A 105 9.254 1.265 11.223 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.240 3.932 11.089 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.365 4.160 9.329 1.00 0.00 H new ATOM 0 HG23 THR A 105 8.284 2.910 9.990 1.00 0.00 H new ATOM 1567 N THR A 106 11.824 1.788 6.764 1.00 0.00 N ATOM 1568 CA THR A 106 12.588 2.449 5.711 1.00 0.00 C ATOM 1569 C THR A 106 12.274 1.836 4.350 1.00 0.00 C ATOM 1570 O THR A 106 12.035 2.552 3.376 1.00 0.00 O ATOM 1571 CB THR A 106 14.087 2.348 5.998 1.00 0.00 C ATOM 1572 OG1 THR A 106 14.830 3.082 5.041 1.00 0.00 O ATOM 1573 CG2 THR A 106 14.606 0.926 5.988 1.00 0.00 C ATOM 0 H THR A 106 11.813 0.770 6.701 1.00 0.00 H new ATOM 0 HA THR A 106 12.302 3.501 5.692 1.00 0.00 H new ATOM 0 HB THR A 106 14.217 2.757 7.000 1.00 0.00 H new ATOM 0 HG1 THR A 106 15.786 3.007 5.242 1.00 0.00 H new ATOM 0 HG21 THR A 106 15.675 0.928 6.199 1.00 0.00 H new ATOM 0 HG22 THR A 106 14.087 0.344 6.750 1.00 0.00 H new ATOM 0 HG23 THR A 106 14.430 0.481 5.009 1.00 0.00 H new ATOM 1581 N ASN A 107 12.272 0.508 4.291 1.00 0.00 N ATOM 1582 CA ASN A 107 11.983 -0.201 3.050 1.00 0.00 C ATOM 1583 C ASN A 107 10.617 -0.878 3.120 1.00 0.00 C ATOM 1584 O ASN A 107 10.479 -1.969 3.669 1.00 0.00 O ATOM 1585 CB ASN A 107 13.069 -1.241 2.766 1.00 0.00 C ATOM 1586 CG ASN A 107 13.185 -2.274 3.870 1.00 0.00 C ATOM 1587 OD1 ASN A 107 13.788 -2.021 4.912 1.00 0.00 O ATOM 1588 ND2 ASN A 107 12.606 -3.447 3.644 1.00 0.00 N ATOM 0 H ASN A 107 12.467 -0.098 5.088 1.00 0.00 H new ATOM 0 HA ASN A 107 11.968 0.526 2.238 1.00 0.00 H new ATOM 0 HB2 ASN A 107 12.849 -1.743 1.824 1.00 0.00 H new ATOM 0 HB3 ASN A 107 14.027 -0.737 2.642 1.00 0.00 H new ATOM 0 HD21 ASN A 107 12.651 -4.182 4.350 1.00 0.00 H new ATOM 0 HD22 ASN A 107 12.116 -3.613 2.765 1.00 0.00 H new ATOM 1595 N THR A 108 9.609 -0.216 2.561 1.00 0.00 N ATOM 1596 CA THR A 108 8.251 -0.745 2.560 1.00 0.00 C ATOM 1597 C THR A 108 8.043 -1.756 1.432 1.00 0.00 C ATOM 1598 O THR A 108 6.958 -2.320 1.292 1.00 0.00 O ATOM 1599 CB THR A 108 7.238 0.393 2.430 1.00 0.00 C ATOM 1600 OG1 THR A 108 7.375 1.309 3.502 1.00 0.00 O ATOM 1601 CG2 THR A 108 5.803 -0.085 2.413 1.00 0.00 C ATOM 0 H THR A 108 9.708 0.690 2.102 1.00 0.00 H new ATOM 0 HA THR A 108 8.097 -1.260 3.509 1.00 0.00 H new ATOM 0 HB THR A 108 7.456 0.869 1.474 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.720 2.031 3.401 1.00 0.00 H new ATOM 0 HG21 THR A 108 5.135 0.771 2.319 1.00 0.00 H new ATOM 0 HG22 THR A 108 5.653 -0.757 1.568 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.585 -0.615 3.340 1.00 0.00 H new ATOM 1609 N SER A 109 9.084 -1.982 0.629 1.00 0.00 N ATOM 1610 CA SER A 109 9.005 -2.927 -0.486 1.00 0.00 C ATOM 1611 C SER A 109 8.298 -4.214 -0.068 1.00 0.00 C ATOM 1612 O SER A 109 7.647 -4.871 -0.882 1.00 0.00 O ATOM 1613 CB SER A 109 10.406 -3.248 -1.007 1.00 0.00 C ATOM 1614 OG SER A 109 10.353 -3.780 -2.320 1.00 0.00 O ATOM 0 H SER A 109 9.990 -1.525 0.730 1.00 0.00 H new ATOM 0 HA SER A 109 8.424 -2.461 -1.282 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.015 -2.344 -1.002 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.890 -3.962 -0.341 1.00 0.00 H new ATOM 0 HG SER A 109 11.262 -3.975 -2.631 1.00 0.00 H new ATOM 1620 N LEU A 110 8.425 -4.566 1.208 1.00 0.00 N ATOM 1621 CA LEU A 110 7.796 -5.769 1.737 1.00 0.00 C ATOM 1622 C LEU A 110 6.426 -5.452 2.323 1.00 0.00 C ATOM 1623 O LEU A 110 5.397 -5.802 1.745 1.00 0.00 O ATOM 1624 CB LEU A 110 8.668 -6.396 2.825 1.00 0.00 C ATOM 1625 CG LEU A 110 9.811 -7.302 2.351 1.00 0.00 C ATOM 1626 CD1 LEU A 110 10.164 -7.045 0.889 1.00 0.00 C ATOM 1627 CD2 LEU A 110 11.026 -7.107 3.247 1.00 0.00 C ATOM 0 H LEU A 110 8.959 -4.033 1.895 1.00 0.00 H new ATOM 0 HA LEU A 110 7.680 -6.471 0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 110 9.096 -5.592 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 110 8.024 -6.977 3.485 1.00 0.00 H new ATOM 0 HG LEU A 110 9.479 -8.338 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 110 10.978 -7.706 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.292 -7.238 0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.475 -6.008 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.836 -7.752 2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.348 -6.067 3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.765 -7.362 4.274 1.00 0.00 H new ATOM 1639 N ASP A 111 6.440 -4.787 3.482 1.00 0.00 N ATOM 1640 CA ASP A 111 5.253 -4.393 4.205 1.00 0.00 C ATOM 1641 C ASP A 111 3.956 -4.735 3.488 1.00 0.00 C ATOM 1642 O ASP A 111 3.373 -3.895 2.803 1.00 0.00 O ATOM 1643 CB ASP A 111 5.317 -2.897 4.483 1.00 0.00 C ATOM 1644 CG ASP A 111 5.283 -2.576 5.965 1.00 0.00 C ATOM 1645 OD1 ASP A 111 4.270 -2.903 6.619 1.00 0.00 O ATOM 1646 OD2 ASP A 111 6.267 -1.997 6.471 1.00 0.00 O ATOM 0 H ASP A 111 7.304 -4.506 3.945 1.00 0.00 H new ATOM 0 HA ASP A 111 5.240 -4.963 5.134 1.00 0.00 H new ATOM 0 HB2 ASP A 111 6.229 -2.489 4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 111 4.480 -2.403 3.989 1.00 0.00 H new ATOM 1651 N LEU A 112 3.471 -5.954 3.708 1.00 0.00 N ATOM 1652 CA LEU A 112 2.197 -6.372 3.139 1.00 0.00 C ATOM 1653 C LEU A 112 1.161 -5.326 3.525 1.00 0.00 C ATOM 1654 O LEU A 112 0.149 -5.123 2.853 1.00 0.00 O ATOM 1655 CB LEU A 112 1.775 -7.730 3.710 1.00 0.00 C ATOM 1656 CG LEU A 112 2.358 -8.970 3.021 1.00 0.00 C ATOM 1657 CD1 LEU A 112 3.852 -9.106 3.273 1.00 0.00 C ATOM 1658 CD2 LEU A 112 1.641 -10.226 3.492 1.00 0.00 C ATOM 0 H LEU A 112 3.938 -6.664 4.272 1.00 0.00 H new ATOM 0 HA LEU A 112 2.284 -6.466 2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.056 -7.760 4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.688 -7.795 3.668 1.00 0.00 H new ATOM 0 HG LEU A 112 2.207 -8.846 1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.227 -9.996 2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.368 -8.226 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.034 -9.193 4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.067 -11.097 2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.761 -10.331 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.581 -10.152 3.250 1.00 0.00 H new ATOM 1670 N ASN A 113 1.460 -4.680 4.646 1.00 0.00 N ATOM 1671 CA ASN A 113 0.636 -3.649 5.231 1.00 0.00 C ATOM 1672 C ASN A 113 1.105 -2.255 4.835 1.00 0.00 C ATOM 1673 O ASN A 113 0.312 -1.409 4.427 1.00 0.00 O ATOM 1674 CB ASN A 113 0.746 -3.778 6.743 1.00 0.00 C ATOM 1675 CG ASN A 113 -0.524 -4.310 7.375 1.00 0.00 C ATOM 1676 OD1 ASN A 113 -1.058 -5.337 6.954 1.00 0.00 O ATOM 1677 ND2 ASN A 113 -1.016 -3.614 8.393 1.00 0.00 N ATOM 0 H ASN A 113 2.307 -4.870 5.182 1.00 0.00 H new ATOM 0 HA ASN A 113 -0.387 -3.774 4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.575 -4.442 6.988 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.980 -2.803 7.171 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.869 -3.925 8.859 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.541 -2.769 8.710 1.00 0.00 H new ATOM 1684 N LYS A 114 2.402 -2.021 5.021 1.00 0.00 N ATOM 1685 CA LYS A 114 3.022 -0.725 4.754 1.00 0.00 C ATOM 1686 C LYS A 114 2.867 0.159 5.973 1.00 0.00 C ATOM 1687 O LYS A 114 2.683 1.371 5.863 1.00 0.00 O ATOM 1688 CB LYS A 114 2.428 -0.037 3.526 1.00 0.00 C ATOM 1689 CG LYS A 114 2.476 -0.889 2.270 1.00 0.00 C ATOM 1690 CD LYS A 114 2.104 -0.081 1.041 1.00 0.00 C ATOM 1691 CE LYS A 114 3.179 0.934 0.689 1.00 0.00 C ATOM 1692 NZ LYS A 114 4.046 0.461 -0.427 1.00 0.00 N ATOM 0 H LYS A 114 3.055 -2.727 5.362 1.00 0.00 H new ATOM 0 HA LYS A 114 4.078 -0.895 4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.392 0.230 3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.966 0.893 3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.477 -1.303 2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.793 -1.732 2.374 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.948 -0.753 0.197 1.00 0.00 H new ATOM 0 HD3 LYS A 114 1.160 0.435 1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.710 1.877 0.409 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.793 1.131 1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 4.827 1.133 -0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 4.434 -0.475 -0.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.484 0.394 -1.299 1.00 0.00 H new ATOM 1706 N ASP A 115 2.952 -0.465 7.144 1.00 0.00 N ATOM 1707 CA ASP A 115 2.829 0.263 8.393 1.00 0.00 C ATOM 1708 C ASP A 115 4.142 0.973 8.720 1.00 0.00 C ATOM 1709 O ASP A 115 4.192 1.825 9.606 1.00 0.00 O ATOM 1710 CB ASP A 115 2.424 -0.689 9.526 1.00 0.00 C ATOM 1711 CG ASP A 115 2.377 -0.001 10.877 1.00 0.00 C ATOM 1712 OD1 ASP A 115 1.369 0.678 11.162 1.00 0.00 O ATOM 1713 OD2 ASP A 115 3.349 -0.143 11.649 1.00 0.00 O ATOM 0 H ASP A 115 3.105 -1.468 7.250 1.00 0.00 H new ATOM 0 HA ASP A 115 2.049 1.017 8.288 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.445 -1.115 9.305 1.00 0.00 H new ATOM 0 HB3 ASP A 115 3.130 -1.518 9.569 1.00 0.00 H new ATOM 1718 N GLY A 116 5.207 0.613 7.999 1.00 0.00 N ATOM 1719 CA GLY A 116 6.498 1.226 8.233 1.00 0.00 C ATOM 1720 C GLY A 116 7.317 0.409 9.200 1.00 0.00 C ATOM 1721 O GLY A 116 8.059 0.948 10.020 1.00 0.00 O ATOM 0 H GLY A 116 5.193 -0.091 7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.034 1.324 7.289 1.00 0.00 H new ATOM 0 HA3 GLY A 116 6.360 2.233 8.628 1.00 0.00 H new ATOM 1725 N SER A 117 7.155 -0.903 9.110 1.00 0.00 N ATOM 1726 CA SER A 117 7.856 -1.822 9.993 1.00 0.00 C ATOM 1727 C SER A 117 7.544 -3.254 9.631 1.00 0.00 C ATOM 1728 O SER A 117 6.401 -3.700 9.748 1.00 0.00 O ATOM 1729 CB SER A 117 7.443 -1.571 11.446 1.00 0.00 C ATOM 1730 OG SER A 117 6.419 -0.594 11.531 1.00 0.00 O ATOM 0 H SER A 117 6.542 -1.356 8.432 1.00 0.00 H new ATOM 0 HA SER A 117 8.926 -1.651 9.879 1.00 0.00 H new ATOM 0 HB2 SER A 117 7.097 -2.503 11.894 1.00 0.00 H new ATOM 0 HB3 SER A 117 8.309 -1.243 12.021 1.00 0.00 H new ATOM 0 HG SER A 117 5.545 -1.037 11.548 1.00 0.00 H new ATOM 1736 N ILE A 118 8.563 -3.987 9.220 1.00 0.00 N ATOM 1737 CA ILE A 118 8.374 -5.375 8.884 1.00 0.00 C ATOM 1738 C ILE A 118 8.011 -6.142 10.142 1.00 0.00 C ATOM 1739 O ILE A 118 8.833 -6.377 11.021 1.00 0.00 O ATOM 1740 CB ILE A 118 9.615 -5.978 8.199 1.00 0.00 C ATOM 1741 CG1 ILE A 118 9.647 -5.540 6.739 1.00 0.00 C ATOM 1742 CG2 ILE A 118 9.606 -7.496 8.282 1.00 0.00 C ATOM 1743 CD1 ILE A 118 8.398 -5.929 5.982 1.00 0.00 C ATOM 0 H ILE A 118 9.518 -3.644 9.114 1.00 0.00 H new ATOM 0 HA ILE A 118 7.560 -5.453 8.163 1.00 0.00 H new ATOM 0 HB ILE A 118 10.505 -5.618 8.715 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.773 -4.458 6.692 1.00 0.00 H new ATOM 0 HG13 ILE A 118 10.515 -5.983 6.251 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.494 -7.893 7.790 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.603 -7.803 9.328 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.715 -7.882 7.788 1.00 0.00 H new ATOM 0 HD11 ILE A 118 8.479 -5.591 4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.284 -7.013 6.001 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.530 -5.464 6.449 1.00 0.00 H new ATOM 1755 N ASP A 119 6.752 -6.482 10.225 1.00 0.00 N ATOM 1756 CA ASP A 119 6.226 -7.188 11.385 1.00 0.00 C ATOM 1757 C ASP A 119 5.334 -8.362 10.977 1.00 0.00 C ATOM 1758 O ASP A 119 5.590 -9.028 9.978 1.00 0.00 O ATOM 1759 CB ASP A 119 5.472 -6.218 12.297 1.00 0.00 C ATOM 1760 CG ASP A 119 6.189 -4.891 12.453 1.00 0.00 C ATOM 1761 OD1 ASP A 119 7.437 -4.893 12.512 1.00 0.00 O ATOM 1762 OD2 ASP A 119 5.503 -3.850 12.516 1.00 0.00 O ATOM 0 H ASP A 119 6.060 -6.284 9.503 1.00 0.00 H new ATOM 0 HA ASP A 119 7.070 -7.603 11.937 1.00 0.00 H new ATOM 0 HB2 ASP A 119 4.475 -6.043 11.891 1.00 0.00 H new ATOM 0 HB3 ASP A 119 5.341 -6.674 13.278 1.00 0.00 H new ATOM 1767 N GLU A 120 4.307 -8.631 11.776 1.00 0.00 N ATOM 1768 CA GLU A 120 3.397 -9.747 11.513 1.00 0.00 C ATOM 1769 C GLU A 120 2.483 -9.484 10.313 1.00 0.00 C ATOM 1770 O GLU A 120 2.198 -10.394 9.534 1.00 0.00 O ATOM 1771 CB GLU A 120 2.547 -10.034 12.752 1.00 0.00 C ATOM 1772 CG GLU A 120 2.213 -11.505 12.933 1.00 0.00 C ATOM 1773 CD GLU A 120 2.030 -11.887 14.388 1.00 0.00 C ATOM 1774 OE1 GLU A 120 2.995 -11.739 15.166 1.00 0.00 O ATOM 1775 OE2 GLU A 120 0.921 -12.336 14.749 1.00 0.00 O ATOM 0 H GLU A 120 4.081 -8.093 12.612 1.00 0.00 H new ATOM 0 HA GLU A 120 4.013 -10.614 11.274 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.077 -9.679 13.636 1.00 0.00 H new ATOM 0 HB3 GLU A 120 1.620 -9.465 12.686 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.301 -11.737 12.383 1.00 0.00 H new ATOM 0 HG3 GLU A 120 3.009 -12.110 12.500 1.00 0.00 H new ATOM 1782 N TYR A 121 2.009 -8.247 10.180 1.00 0.00 N ATOM 1783 CA TYR A 121 1.106 -7.879 9.085 1.00 0.00 C ATOM 1784 C TYR A 121 1.558 -8.439 7.742 1.00 0.00 C ATOM 1785 O TYR A 121 0.739 -8.639 6.844 1.00 0.00 O ATOM 1786 CB TYR A 121 0.958 -6.355 8.953 1.00 0.00 C ATOM 1787 CG TYR A 121 1.567 -5.548 10.073 1.00 0.00 C ATOM 1788 CD1 TYR A 121 0.966 -5.490 11.323 1.00 0.00 C ATOM 1789 CD2 TYR A 121 2.738 -4.836 9.872 1.00 0.00 C ATOM 1790 CE1 TYR A 121 1.518 -4.742 12.344 1.00 0.00 C ATOM 1791 CE2 TYR A 121 3.298 -4.083 10.888 1.00 0.00 C ATOM 1792 CZ TYR A 121 2.683 -4.040 12.122 1.00 0.00 C ATOM 1793 OH TYR A 121 3.231 -3.290 13.137 1.00 0.00 O ATOM 0 H TYR A 121 2.233 -7.481 10.815 1.00 0.00 H new ATOM 0 HA TYR A 121 0.143 -8.319 9.345 1.00 0.00 H new ATOM 0 HB2 TYR A 121 1.413 -6.042 8.013 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -0.103 -6.114 8.889 1.00 0.00 H new ATOM 0 HD1 TYR A 121 0.053 -6.038 11.500 1.00 0.00 H new ATOM 0 HD2 TYR A 121 3.221 -4.869 8.907 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.039 -4.707 13.311 1.00 0.00 H new ATOM 0 HE2 TYR A 121 4.211 -3.532 10.716 1.00 0.00 H new ATOM 0 HH TYR A 121 4.176 -3.527 13.245 1.00 0.00 H new ATOM 1803 N GLU A 122 2.855 -8.674 7.588 1.00 0.00 N ATOM 1804 CA GLU A 122 3.363 -9.186 6.321 1.00 0.00 C ATOM 1805 C GLU A 122 3.427 -10.709 6.321 1.00 0.00 C ATOM 1806 O GLU A 122 2.575 -11.381 5.740 1.00 0.00 O ATOM 1807 CB GLU A 122 4.752 -8.601 6.002 1.00 0.00 C ATOM 1808 CG GLU A 122 5.504 -8.059 7.202 1.00 0.00 C ATOM 1809 CD GLU A 122 4.917 -6.762 7.719 1.00 0.00 C ATOM 1810 OE1 GLU A 122 5.187 -5.704 7.118 1.00 0.00 O ATOM 1811 OE2 GLU A 122 4.192 -6.808 8.733 1.00 0.00 O ATOM 0 H GLU A 122 3.562 -8.522 8.308 1.00 0.00 H new ATOM 0 HA GLU A 122 2.665 -8.872 5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.357 -9.375 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 122 4.635 -7.800 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 122 5.493 -8.802 7.999 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.547 -7.899 6.930 1.00 0.00 H new ATOM 1818 N ILE A 123 4.447 -11.234 6.977 1.00 0.00 N ATOM 1819 CA ILE A 123 4.671 -12.684 7.085 1.00 0.00 C ATOM 1820 C ILE A 123 3.357 -13.467 7.148 1.00 0.00 C ATOM 1821 O ILE A 123 3.267 -14.586 6.646 1.00 0.00 O ATOM 1822 CB ILE A 123 5.520 -13.068 8.330 1.00 0.00 C ATOM 1823 CG1 ILE A 123 5.913 -11.832 9.161 1.00 0.00 C ATOM 1824 CG2 ILE A 123 6.758 -13.849 7.906 1.00 0.00 C ATOM 1825 CD1 ILE A 123 7.127 -11.093 8.632 1.00 0.00 C ATOM 0 H ILE A 123 5.152 -10.673 7.455 1.00 0.00 H new ATOM 0 HA ILE A 123 5.218 -12.951 6.181 1.00 0.00 H new ATOM 0 HB ILE A 123 4.904 -13.702 8.967 1.00 0.00 H new ATOM 0 HG12 ILE A 123 5.068 -11.145 9.193 1.00 0.00 H new ATOM 0 HG13 ILE A 123 6.109 -12.144 10.187 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.343 -14.111 8.788 1.00 0.00 H new ATOM 0 HG22 ILE A 123 6.455 -14.759 7.388 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.364 -13.236 7.238 1.00 0.00 H new ATOM 0 HD11 ILE A 123 7.339 -10.236 9.272 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.987 -11.763 8.626 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.929 -10.748 7.617 1.00 0.00 H new ATOM 1837 N SER A 124 2.348 -12.876 7.785 1.00 0.00 N ATOM 1838 CA SER A 124 1.039 -13.512 7.936 1.00 0.00 C ATOM 1839 C SER A 124 0.594 -14.247 6.670 1.00 0.00 C ATOM 1840 O SER A 124 0.341 -15.452 6.700 1.00 0.00 O ATOM 1841 CB SER A 124 -0.009 -12.467 8.321 1.00 0.00 C ATOM 1842 OG SER A 124 -0.161 -12.389 9.728 1.00 0.00 O ATOM 0 H SER A 124 2.412 -11.950 8.208 1.00 0.00 H new ATOM 0 HA SER A 124 1.134 -14.255 8.727 1.00 0.00 H new ATOM 0 HB2 SER A 124 0.284 -11.493 7.930 1.00 0.00 H new ATOM 0 HB3 SER A 124 -0.965 -12.720 7.863 1.00 0.00 H new ATOM 0 HG SER A 124 0.492 -11.756 10.093 1.00 0.00 H new ATOM 1848 N PHE A 125 0.487 -13.517 5.565 1.00 0.00 N ATOM 1849 CA PHE A 125 0.056 -14.105 4.298 1.00 0.00 C ATOM 1850 C PHE A 125 1.162 -14.942 3.662 1.00 0.00 C ATOM 1851 O PHE A 125 0.891 -15.865 2.895 1.00 0.00 O ATOM 1852 CB PHE A 125 -0.379 -13.003 3.331 1.00 0.00 C ATOM 1853 CG PHE A 125 -0.933 -13.521 2.033 1.00 0.00 C ATOM 1854 CD1 PHE A 125 -2.155 -14.170 1.996 1.00 0.00 C ATOM 1855 CD2 PHE A 125 -0.230 -13.353 0.850 1.00 0.00 C ATOM 1856 CE1 PHE A 125 -2.669 -14.643 0.803 1.00 0.00 C ATOM 1857 CE2 PHE A 125 -0.738 -13.824 -0.346 1.00 0.00 C ATOM 1858 CZ PHE A 125 -1.959 -14.470 -0.369 1.00 0.00 C ATOM 0 H PHE A 125 0.692 -12.519 5.519 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.787 -14.764 4.507 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -1.133 -12.383 3.816 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.475 -12.359 3.120 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -2.714 -14.309 2.910 1.00 0.00 H new ATOM 0 HD2 PHE A 125 0.725 -12.849 0.863 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -3.624 -15.147 0.787 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -0.181 -13.687 -1.261 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.358 -14.839 -1.302 1.00 0.00 H new ATOM 1868 N ILE A 126 2.406 -14.610 3.978 1.00 0.00 N ATOM 1869 CA ILE A 126 3.555 -15.323 3.431 1.00 0.00 C ATOM 1870 C ILE A 126 3.772 -16.658 4.139 1.00 0.00 C ATOM 1871 O ILE A 126 3.554 -17.716 3.556 1.00 0.00 O ATOM 1872 CB ILE A 126 4.833 -14.467 3.550 1.00 0.00 C ATOM 1873 CG1 ILE A 126 4.568 -13.040 3.049 1.00 0.00 C ATOM 1874 CG2 ILE A 126 5.983 -15.109 2.790 1.00 0.00 C ATOM 1875 CD1 ILE A 126 4.668 -12.879 1.544 1.00 0.00 C ATOM 0 H ILE A 126 2.647 -13.849 4.613 1.00 0.00 H new ATOM 0 HA ILE A 126 3.345 -15.517 2.379 1.00 0.00 H new ATOM 0 HB ILE A 126 5.118 -14.412 4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 126 3.573 -12.734 3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 126 5.279 -12.363 3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 126 6.874 -14.489 2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 126 6.183 -16.099 3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 126 5.717 -15.200 1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 126 4.467 -11.842 1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 126 5.671 -13.151 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 126 3.938 -13.528 1.059 1.00 0.00 H new ATOM 1887 N ASN A 127 4.201 -16.594 5.395 1.00 0.00 N ATOM 1888 CA ASN A 127 4.463 -17.788 6.200 1.00 0.00 C ATOM 1889 C ASN A 127 3.455 -18.911 5.940 1.00 0.00 C ATOM 1890 O ASN A 127 3.794 -20.089 6.042 1.00 0.00 O ATOM 1891 CB ASN A 127 4.449 -17.430 7.687 1.00 0.00 C ATOM 1892 CG ASN A 127 5.792 -16.925 8.176 1.00 0.00 C ATOM 1893 OD1 ASN A 127 6.771 -16.907 7.431 1.00 0.00 O ATOM 1894 ND2 ASN A 127 5.843 -16.511 9.437 1.00 0.00 N ATOM 0 H ASN A 127 4.377 -15.717 5.885 1.00 0.00 H new ATOM 0 HA ASN A 127 5.446 -18.156 5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 127 3.691 -16.668 7.867 1.00 0.00 H new ATOM 0 HB3 ASN A 127 4.162 -18.308 8.266 1.00 0.00 H new ATOM 0 HD21 ASN A 127 6.719 -16.160 9.824 1.00 0.00 H new ATOM 0 HD22 ASN A 127 5.006 -16.544 10.019 1.00 0.00 H new ATOM 1901 N HIS A 128 2.215 -18.547 5.630 1.00 0.00 N ATOM 1902 CA HIS A 128 1.173 -19.541 5.390 1.00 0.00 C ATOM 1903 C HIS A 128 1.031 -19.900 3.911 1.00 0.00 C ATOM 1904 O HIS A 128 0.901 -21.074 3.564 1.00 0.00 O ATOM 1905 CB HIS A 128 -0.167 -19.039 5.930 1.00 0.00 C ATOM 1906 CG HIS A 128 -0.406 -19.396 7.364 1.00 0.00 C ATOM 1907 ND1 HIS A 128 -0.719 -18.463 8.331 1.00 0.00 N ATOM 1908 CD2 HIS A 128 -0.378 -20.593 7.996 1.00 0.00 C ATOM 1909 CE1 HIS A 128 -0.871 -19.071 9.494 1.00 0.00 C ATOM 1910 NE2 HIS A 128 -0.671 -20.364 9.317 1.00 0.00 N ATOM 0 H HIS A 128 1.908 -17.579 5.539 1.00 0.00 H new ATOM 0 HA HIS A 128 1.472 -20.447 5.917 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.210 -17.955 5.822 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -0.972 -19.452 5.322 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -0.165 -21.551 7.544 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -1.117 -18.592 10.430 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -0.725 -21.077 10.044 1.00 0.00 H new ATOM 1919 N ARG A 129 1.034 -18.893 3.045 1.00 0.00 N ATOM 1920 CA ARG A 129 0.881 -19.124 1.609 1.00 0.00 C ATOM 1921 C ARG A 129 2.176 -19.618 0.975 1.00 0.00 C ATOM 1922 O ARG A 129 2.171 -20.124 -0.148 1.00 0.00 O ATOM 1923 CB ARG A 129 0.420 -17.843 0.914 1.00 0.00 C ATOM 1924 CG ARG A 129 -0.903 -17.311 1.438 1.00 0.00 C ATOM 1925 CD ARG A 129 -2.075 -17.827 0.618 1.00 0.00 C ATOM 1926 NE ARG A 129 -2.021 -17.362 -0.766 1.00 0.00 N ATOM 1927 CZ ARG A 129 -2.925 -17.679 -1.690 1.00 0.00 C ATOM 1928 NH1 ARG A 129 -3.953 -18.460 -1.382 1.00 0.00 N ATOM 1929 NH2 ARG A 129 -2.802 -17.213 -2.925 1.00 0.00 N ATOM 0 H ARG A 129 1.140 -17.913 3.308 1.00 0.00 H new ATOM 0 HA ARG A 129 0.127 -19.900 1.480 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.185 -17.077 1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 129 0.328 -18.032 -0.156 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -1.028 -17.607 2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -0.893 -16.221 1.415 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -2.077 -18.917 0.635 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -3.009 -17.499 1.074 1.00 0.00 H new ATOM 0 HE ARG A 129 -1.245 -16.759 -1.040 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -4.053 -18.821 -0.433 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -4.643 -18.700 -2.094 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -2.015 -16.612 -3.167 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -3.495 -17.456 -3.633 1.00 0.00 H new ATOM 1943 N ILE A 130 3.283 -19.464 1.688 1.00 0.00 N ATOM 1944 CA ILE A 130 4.577 -19.891 1.181 1.00 0.00 C ATOM 1945 C ILE A 130 4.911 -21.311 1.631 1.00 0.00 C ATOM 1946 O ILE A 130 5.634 -22.035 0.946 1.00 0.00 O ATOM 1947 CB ILE A 130 5.691 -18.933 1.640 1.00 0.00 C ATOM 1948 CG1 ILE A 130 5.855 -18.994 3.162 1.00 0.00 C ATOM 1949 CG2 ILE A 130 5.391 -17.515 1.179 1.00 0.00 C ATOM 1950 CD1 ILE A 130 6.971 -19.907 3.614 1.00 0.00 C ATOM 0 H ILE A 130 3.310 -19.047 2.618 1.00 0.00 H new ATOM 0 HA ILE A 130 4.516 -19.875 0.093 1.00 0.00 H new ATOM 0 HB ILE A 130 6.632 -19.245 1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 130 6.044 -17.989 3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 130 4.919 -19.331 3.607 1.00 0.00 H new ATOM 0 HG21 ILE A 130 6.187 -16.848 1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 130 5.328 -17.492 0.091 1.00 0.00 H new ATOM 0 HG23 ILE A 130 4.443 -17.187 1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 130 7.028 -19.900 4.702 1.00 0.00 H new ATOM 0 HD12 ILE A 130 6.774 -20.921 3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 130 7.917 -19.559 3.199 1.00 0.00 H new