USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 681 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 109 TYR OH : rot 50:sc= -1.1 USER MOD Set 1.2: A 113 LYS NZ :NH3+ -129:sc= -0.705 (180deg=-3.48!) USER MOD Set 2.1: A 102 TYR OH : rot -164:sc= -5.95! USER MOD Set 2.2: A 106 GLN : amide:sc= -2.35 X(o=-8.3,f=-8.6!) USER MOD Set 3.1: A 27 THR OG1 : rot -170:sc= -5.06! USER MOD Set 3.2: A 88 ASN : amide:sc= -1.19 K(o=-6.3,f=-7.8!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.196 USER MOD Single : A 32 ASN : amide:sc= -0.019 X(o=-0.019,f=-0.47) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0156 K(o=-0.016,f=-1.1) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 145:sc= 1.26 (180deg=1.07) USER MOD Single : A 48 CYS SG : rot -53:sc= -10.3! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -149:sc= 1.16 (180deg=0.507) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -134:sc= -4.56! (180deg=-5.37!) USER MOD Single : A 66 THR OG1 : rot -47:sc= 0.946 USER MOD Single : A 71 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.7!) USER MOD Single : A 72 CYS SG : rot 29:sc= -2.91! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 92:sc= 1.27 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 85:sc= 1.09 USER MOD Single : A 82 ASN : amide:sc= -4.69! K(o=-4.7!,f=-2.6) USER MOD Single : A 86 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.43) USER MOD Single : A 87 GLN : amide:sc= -6.4! C(o=-6.4!,f=-5.4!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 97:sc= 1.12 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.368 K(o=-0.37,f=-2.7!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -1.92 K(o=-1.9,f=-2.5!) USER MOD Single : A 111 GLN : amide:sc= -2.1 K(o=-2.1,f=-3.9!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N THR A 27 -19.906 3.773 -5.716 1.00 0.00 N ATOM 71 CA THR A 27 -18.622 3.714 -6.388 1.00 0.00 C ATOM 72 C THR A 27 -17.731 4.857 -5.907 1.00 0.00 C ATOM 73 O THR A 27 -16.506 4.746 -5.908 1.00 0.00 O ATOM 74 CB THR A 27 -18.823 3.761 -7.908 1.00 0.00 C ATOM 75 OG1 THR A 27 -18.602 2.486 -8.481 1.00 0.00 O ATOM 76 CG2 THR A 27 -17.915 4.739 -8.615 1.00 0.00 C ATOM 0 HA THR A 27 -18.126 2.774 -6.144 1.00 0.00 H new ATOM 0 HB THR A 27 -19.853 4.090 -8.045 1.00 0.00 H new ATOM 0 HG1 THR A 27 -18.578 2.566 -9.457 1.00 0.00 H new ATOM 0 HG21 THR A 27 -18.117 4.714 -9.686 1.00 0.00 H new ATOM 0 HG22 THR A 27 -18.096 5.744 -8.235 1.00 0.00 H new ATOM 0 HG23 THR A 27 -16.875 4.465 -8.436 1.00 0.00 H new ATOM 84 N LYS A 28 -18.357 5.951 -5.479 1.00 0.00 N ATOM 85 CA LYS A 28 -17.617 7.099 -4.976 1.00 0.00 C ATOM 86 C LYS A 28 -16.873 6.712 -3.705 1.00 0.00 C ATOM 87 O LYS A 28 -15.709 7.070 -3.514 1.00 0.00 O ATOM 88 CB LYS A 28 -18.563 8.268 -4.697 1.00 0.00 C ATOM 89 CG LYS A 28 -17.862 9.502 -4.151 1.00 0.00 C ATOM 90 CD LYS A 28 -16.881 10.077 -5.159 1.00 0.00 C ATOM 91 CE LYS A 28 -15.453 9.657 -4.850 1.00 0.00 C ATOM 92 NZ LYS A 28 -14.487 10.770 -5.063 1.00 0.00 N ATOM 0 H LYS A 28 -19.371 6.064 -5.471 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.898 7.413 -5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -19.081 8.533 -5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -19.323 7.947 -3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.603 10.258 -3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.333 9.245 -3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.150 9.744 -6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.950 11.165 -5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.391 9.315 -3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.178 8.812 -5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.525 10.442 -4.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.527 11.079 -6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.733 11.567 -4.442 1.00 0.00 H new ATOM 106 N GLU A 29 -17.552 5.957 -2.844 1.00 0.00 N ATOM 107 CA GLU A 29 -16.956 5.498 -1.598 1.00 0.00 C ATOM 108 C GLU A 29 -15.717 4.663 -1.889 1.00 0.00 C ATOM 109 O GLU A 29 -14.726 4.722 -1.161 1.00 0.00 O ATOM 110 CB GLU A 29 -17.968 4.676 -0.797 1.00 0.00 C ATOM 111 CG GLU A 29 -18.721 5.485 0.245 1.00 0.00 C ATOM 112 CD GLU A 29 -19.949 4.764 0.767 1.00 0.00 C ATOM 113 OE1 GLU A 29 -19.795 3.890 1.645 1.00 0.00 O ATOM 114 OE2 GLU A 29 -21.064 5.074 0.298 1.00 0.00 O ATOM 0 H GLU A 29 -18.514 5.652 -2.989 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.666 6.367 -1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -18.685 4.228 -1.485 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.447 3.857 -0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -18.054 5.709 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -19.021 6.439 -0.188 1.00 0.00 H new ATOM 121 N LEU A 30 -15.780 3.894 -2.972 1.00 0.00 N ATOM 122 CA LEU A 30 -14.663 3.053 -3.380 1.00 0.00 C ATOM 123 C LEU A 30 -13.424 3.905 -3.626 1.00 0.00 C ATOM 124 O LEU A 30 -12.354 3.635 -3.081 1.00 0.00 O ATOM 125 CB LEU A 30 -15.034 2.260 -4.637 1.00 0.00 C ATOM 126 CG LEU A 30 -13.859 1.789 -5.498 1.00 0.00 C ATOM 127 CD1 LEU A 30 -13.023 0.769 -4.743 1.00 0.00 C ATOM 128 CD2 LEU A 30 -14.362 1.208 -6.811 1.00 0.00 C ATOM 0 H LEU A 30 -16.595 3.837 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.440 2.347 -2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.612 1.387 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.687 2.877 -5.254 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.227 2.648 -5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.192 0.445 -5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.635 1.221 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.642 -0.091 -4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.514 0.878 -7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.015 0.359 -6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.918 1.970 -7.357 1.00 0.00 H new ATOM 140 N SER A 31 -13.581 4.947 -4.437 1.00 0.00 N ATOM 141 CA SER A 31 -12.476 5.851 -4.736 1.00 0.00 C ATOM 142 C SER A 31 -11.879 6.388 -3.439 1.00 0.00 C ATOM 143 O SER A 31 -10.705 6.749 -3.388 1.00 0.00 O ATOM 144 CB SER A 31 -12.954 7.008 -5.615 1.00 0.00 C ATOM 145 OG SER A 31 -13.578 6.529 -6.793 1.00 0.00 O ATOM 0 H SER A 31 -14.459 5.186 -4.897 1.00 0.00 H new ATOM 0 HA SER A 31 -11.709 5.299 -5.279 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.654 7.629 -5.056 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.107 7.641 -5.880 1.00 0.00 H new ATOM 0 HG SER A 31 -13.876 7.288 -7.337 1.00 0.00 H new ATOM 151 N ASN A 32 -12.695 6.418 -2.385 1.00 0.00 N ATOM 152 CA ASN A 32 -12.239 6.886 -1.085 1.00 0.00 C ATOM 153 C ASN A 32 -11.221 5.906 -0.517 1.00 0.00 C ATOM 154 O ASN A 32 -10.209 6.304 0.059 1.00 0.00 O ATOM 155 CB ASN A 32 -13.420 7.039 -0.123 1.00 0.00 C ATOM 156 CG ASN A 32 -13.353 8.327 0.674 1.00 0.00 C ATOM 157 OD1 ASN A 32 -12.270 8.831 0.972 1.00 0.00 O ATOM 158 ND2 ASN A 32 -14.514 8.867 1.025 1.00 0.00 N ATOM 0 H ASN A 32 -13.671 6.124 -2.410 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.769 7.862 -1.207 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.351 7.013 -0.688 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -13.439 6.191 0.562 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.532 9.733 1.563 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -15.388 8.415 0.757 1.00 0.00 H new ATOM 165 N LEU A 33 -11.488 4.616 -0.712 1.00 0.00 N ATOM 166 CA LEU A 33 -10.586 3.572 -0.247 1.00 0.00 C ATOM 167 C LEU A 33 -9.350 3.549 -1.132 1.00 0.00 C ATOM 168 O LEU A 33 -8.224 3.438 -0.653 1.00 0.00 O ATOM 169 CB LEU A 33 -11.276 2.205 -0.272 1.00 0.00 C ATOM 170 CG LEU A 33 -12.773 2.218 0.047 1.00 0.00 C ATOM 171 CD1 LEU A 33 -13.420 0.914 -0.389 1.00 0.00 C ATOM 172 CD2 LEU A 33 -13.001 2.462 1.531 1.00 0.00 C ATOM 0 H LEU A 33 -12.322 4.272 -1.189 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.298 3.786 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.136 1.765 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.775 1.551 0.442 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.238 3.033 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.484 0.940 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.288 0.783 -1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.953 0.082 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.071 2.468 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.524 1.670 2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.572 3.424 1.812 1.00 0.00 H new ATOM 184 N ILE A 34 -9.578 3.680 -2.431 1.00 0.00 N ATOM 185 CA ILE A 34 -8.494 3.704 -3.397 1.00 0.00 C ATOM 186 C ILE A 34 -7.640 4.948 -3.182 1.00 0.00 C ATOM 187 O ILE A 34 -6.411 4.886 -3.217 1.00 0.00 O ATOM 188 CB ILE A 34 -9.046 3.694 -4.838 1.00 0.00 C ATOM 189 CG1 ILE A 34 -9.584 2.309 -5.188 1.00 0.00 C ATOM 190 CG2 ILE A 34 -7.984 4.122 -5.841 1.00 0.00 C ATOM 191 CD1 ILE A 34 -10.319 2.262 -6.508 1.00 0.00 C ATOM 0 H ILE A 34 -10.508 3.771 -2.839 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.883 2.813 -3.254 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.863 4.414 -4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.754 1.603 -5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.255 1.978 -4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.405 4.104 -6.846 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.648 5.132 -5.606 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.138 3.437 -5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.673 1.248 -6.691 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.170 2.943 -6.475 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.645 2.562 -7.311 1.00 0.00 H new ATOM 203 N GLU A 35 -8.305 6.077 -2.952 1.00 0.00 N ATOM 204 CA GLU A 35 -7.613 7.336 -2.722 1.00 0.00 C ATOM 205 C GLU A 35 -6.614 7.184 -1.584 1.00 0.00 C ATOM 206 O GLU A 35 -5.534 7.776 -1.606 1.00 0.00 O ATOM 207 CB GLU A 35 -8.614 8.447 -2.398 1.00 0.00 C ATOM 208 CG GLU A 35 -9.114 9.193 -3.624 1.00 0.00 C ATOM 209 CD GLU A 35 -8.144 10.259 -4.095 1.00 0.00 C ATOM 210 OE1 GLU A 35 -7.485 10.884 -3.237 1.00 0.00 O ATOM 211 OE2 GLU A 35 -8.043 10.470 -5.322 1.00 0.00 O ATOM 0 H GLU A 35 -9.322 6.143 -2.920 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.076 7.607 -3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.466 8.015 -1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.147 9.158 -1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.287 8.482 -4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.074 9.656 -3.396 1.00 0.00 H new ATOM 218 N THR A 36 -6.972 6.364 -0.601 1.00 0.00 N ATOM 219 CA THR A 36 -6.090 6.116 0.528 1.00 0.00 C ATOM 220 C THR A 36 -5.010 5.133 0.104 1.00 0.00 C ATOM 221 O THR A 36 -3.836 5.305 0.425 1.00 0.00 O ATOM 222 CB THR A 36 -6.884 5.603 1.745 1.00 0.00 C ATOM 223 OG1 THR A 36 -6.436 6.237 2.929 1.00 0.00 O ATOM 224 CG2 THR A 36 -6.800 4.105 1.977 1.00 0.00 C ATOM 0 H THR A 36 -7.861 5.864 -0.565 1.00 0.00 H new ATOM 0 HA THR A 36 -5.615 7.048 0.834 1.00 0.00 H new ATOM 0 HB THR A 36 -7.921 5.844 1.512 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.950 5.903 3.694 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.390 3.839 2.854 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.189 3.579 1.105 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.761 3.820 2.139 1.00 0.00 H new ATOM 232 N PHE A 37 -5.418 4.115 -0.649 1.00 0.00 N ATOM 233 CA PHE A 37 -4.482 3.120 -1.148 1.00 0.00 C ATOM 234 C PHE A 37 -3.402 3.806 -1.968 1.00 0.00 C ATOM 235 O PHE A 37 -2.220 3.491 -1.848 1.00 0.00 O ATOM 236 CB PHE A 37 -5.207 2.080 -2.003 1.00 0.00 C ATOM 237 CG PHE A 37 -4.465 0.777 -2.150 1.00 0.00 C ATOM 238 CD1 PHE A 37 -3.541 0.354 -1.198 1.00 0.00 C ATOM 239 CD2 PHE A 37 -4.689 -0.024 -3.255 1.00 0.00 C ATOM 240 CE1 PHE A 37 -2.863 -0.840 -1.356 1.00 0.00 C ATOM 241 CE2 PHE A 37 -4.014 -1.217 -3.414 1.00 0.00 C ATOM 242 CZ PHE A 37 -3.100 -1.625 -2.465 1.00 0.00 C ATOM 0 H PHE A 37 -6.388 3.960 -0.925 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.025 2.609 -0.300 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.184 1.881 -1.563 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.383 2.499 -2.994 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.352 0.965 -0.328 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.402 0.288 -4.004 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.148 -1.158 -0.612 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.201 -1.832 -4.282 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.571 -2.558 -2.590 1.00 0.00 H new ATOM 252 N ALA A 38 -3.820 4.767 -2.788 1.00 0.00 N ATOM 253 CA ALA A 38 -2.889 5.524 -3.609 1.00 0.00 C ATOM 254 C ALA A 38 -1.864 6.216 -2.721 1.00 0.00 C ATOM 255 O ALA A 38 -0.676 6.259 -3.038 1.00 0.00 O ATOM 256 CB ALA A 38 -3.635 6.539 -4.463 1.00 0.00 C ATOM 0 H ALA A 38 -4.797 5.037 -2.899 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.368 4.839 -4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.923 7.097 -5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.339 6.020 -5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.179 7.229 -3.817 1.00 0.00 H new ATOM 262 N GLU A 39 -2.336 6.735 -1.590 1.00 0.00 N ATOM 263 CA GLU A 39 -1.463 7.400 -0.634 1.00 0.00 C ATOM 264 C GLU A 39 -0.603 6.355 0.071 1.00 0.00 C ATOM 265 O GLU A 39 0.611 6.512 0.196 1.00 0.00 O ATOM 266 CB GLU A 39 -2.299 8.208 0.374 1.00 0.00 C ATOM 267 CG GLU A 39 -1.850 8.078 1.824 1.00 0.00 C ATOM 268 CD GLU A 39 -2.314 9.238 2.683 1.00 0.00 C ATOM 269 OE1 GLU A 39 -3.451 9.712 2.477 1.00 0.00 O ATOM 270 OE2 GLU A 39 -1.540 9.674 3.561 1.00 0.00 O ATOM 0 H GLU A 39 -3.318 6.706 -1.316 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.807 8.098 -1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.267 9.260 0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.339 7.890 0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.236 7.147 2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.762 8.016 1.860 1.00 0.00 H new ATOM 277 N GLN A 40 -1.248 5.278 0.509 1.00 0.00 N ATOM 278 CA GLN A 40 -0.556 4.189 1.178 1.00 0.00 C ATOM 279 C GLN A 40 0.497 3.596 0.251 1.00 0.00 C ATOM 280 O GLN A 40 1.580 3.207 0.688 1.00 0.00 O ATOM 281 CB GLN A 40 -1.552 3.106 1.599 1.00 0.00 C ATOM 282 CG GLN A 40 -2.662 3.613 2.505 1.00 0.00 C ATOM 283 CD GLN A 40 -2.274 3.588 3.969 1.00 0.00 C ATOM 284 OE1 GLN A 40 -1.105 3.414 4.312 1.00 0.00 O ATOM 285 NE2 GLN A 40 -3.258 3.762 4.841 1.00 0.00 N ATOM 0 H GLN A 40 -2.254 5.139 0.410 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.067 4.580 2.070 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.997 2.667 0.706 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.013 2.309 2.111 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.923 4.632 2.219 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.553 3.003 2.358 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.213 3.903 4.511 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.060 3.755 5.842 1.00 0.00 H new ATOM 294 N SER A 41 0.173 3.547 -1.041 1.00 0.00 N ATOM 295 CA SER A 41 1.092 3.020 -2.041 1.00 0.00 C ATOM 296 C SER A 41 2.377 3.833 -2.033 1.00 0.00 C ATOM 297 O SER A 41 3.473 3.284 -1.927 1.00 0.00 O ATOM 298 CB SER A 41 0.450 3.057 -3.430 1.00 0.00 C ATOM 299 OG SER A 41 0.109 1.753 -3.869 1.00 0.00 O ATOM 0 H SER A 41 -0.720 3.867 -1.416 1.00 0.00 H new ATOM 0 HA SER A 41 1.323 1.983 -1.798 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.443 3.681 -3.405 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.138 3.515 -4.140 1.00 0.00 H new ATOM 0 HG SER A 41 -0.301 1.804 -4.758 1.00 0.00 H new ATOM 305 N ARG A 42 2.230 5.152 -2.114 1.00 0.00 N ATOM 306 CA ARG A 42 3.381 6.043 -2.083 1.00 0.00 C ATOM 307 C ARG A 42 4.051 5.945 -0.721 1.00 0.00 C ATOM 308 O ARG A 42 5.260 6.120 -0.593 1.00 0.00 O ATOM 309 CB ARG A 42 2.972 7.496 -2.359 1.00 0.00 C ATOM 310 CG ARG A 42 1.731 7.642 -3.227 1.00 0.00 C ATOM 311 CD ARG A 42 1.851 8.820 -4.180 1.00 0.00 C ATOM 312 NE ARG A 42 0.572 9.496 -4.380 1.00 0.00 N ATOM 313 CZ ARG A 42 0.454 10.740 -4.838 1.00 0.00 C ATOM 314 NH1 ARG A 42 1.534 11.446 -5.151 1.00 0.00 N ATOM 315 NH2 ARG A 42 -0.748 11.280 -4.987 1.00 0.00 N ATOM 0 H ARG A 42 1.330 5.624 -2.201 1.00 0.00 H new ATOM 0 HA ARG A 42 4.076 5.738 -2.865 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.797 7.999 -1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.803 8.009 -2.843 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.575 6.726 -3.797 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.855 7.775 -2.592 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.579 9.530 -3.788 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.231 8.472 -5.140 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.281 8.984 -4.155 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.461 11.035 -5.041 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.436 12.399 -5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.582 10.742 -4.751 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.839 12.233 -5.338 1.00 0.00 H new ATOM 329 N VAL A 43 3.249 5.644 0.294 1.00 0.00 N ATOM 330 CA VAL A 43 3.756 5.498 1.646 1.00 0.00 C ATOM 331 C VAL A 43 4.665 4.279 1.728 1.00 0.00 C ATOM 332 O VAL A 43 5.805 4.372 2.173 1.00 0.00 O ATOM 333 CB VAL A 43 2.601 5.367 2.663 1.00 0.00 C ATOM 334 CG1 VAL A 43 3.015 4.547 3.874 1.00 0.00 C ATOM 335 CG2 VAL A 43 2.124 6.740 3.095 1.00 0.00 C ATOM 0 H VAL A 43 2.244 5.497 0.202 1.00 0.00 H new ATOM 0 HA VAL A 43 4.326 6.393 1.896 1.00 0.00 H new ATOM 0 HB VAL A 43 1.781 4.843 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.178 4.476 4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.307 3.547 3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.857 5.030 4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.310 6.633 3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.948 7.282 3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.771 7.293 2.225 1.00 0.00 H new ATOM 345 N LEU A 44 4.164 3.134 1.277 1.00 0.00 N ATOM 346 CA LEU A 44 4.959 1.917 1.294 1.00 0.00 C ATOM 347 C LEU A 44 6.298 2.185 0.623 1.00 0.00 C ATOM 348 O LEU A 44 7.348 1.877 1.175 1.00 0.00 O ATOM 349 CB LEU A 44 4.215 0.771 0.588 1.00 0.00 C ATOM 350 CG LEU A 44 4.163 -0.580 1.331 1.00 0.00 C ATOM 351 CD1 LEU A 44 5.300 -1.489 0.888 1.00 0.00 C ATOM 352 CD2 LEU A 44 4.195 -0.396 2.843 1.00 0.00 C ATOM 0 H LEU A 44 3.222 3.026 0.900 1.00 0.00 H new ATOM 0 HA LEU A 44 5.130 1.613 2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.192 1.095 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.683 0.608 -0.383 1.00 0.00 H new ATOM 0 HG LEU A 44 3.215 -1.052 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.241 -2.435 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.220 -1.676 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.255 -1.009 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.157 -1.371 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.114 0.116 3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.337 0.199 3.155 1.00 0.00 H new ATOM 364 N GLU A 45 6.257 2.798 -0.555 1.00 0.00 N ATOM 365 CA GLU A 45 7.481 3.127 -1.268 1.00 0.00 C ATOM 366 C GLU A 45 8.299 4.140 -0.468 1.00 0.00 C ATOM 367 O GLU A 45 9.528 4.150 -0.535 1.00 0.00 O ATOM 368 CB GLU A 45 7.163 3.652 -2.679 1.00 0.00 C ATOM 369 CG GLU A 45 7.222 5.166 -2.824 1.00 0.00 C ATOM 370 CD GLU A 45 6.990 5.622 -4.252 1.00 0.00 C ATOM 371 OE1 GLU A 45 7.354 4.872 -5.181 1.00 0.00 O ATOM 372 OE2 GLU A 45 6.445 6.730 -4.439 1.00 0.00 O ATOM 0 H GLU A 45 5.398 3.074 -1.031 1.00 0.00 H new ATOM 0 HA GLU A 45 8.078 2.222 -1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.864 3.206 -3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.167 3.312 -2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.473 5.619 -2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.195 5.523 -2.486 1.00 0.00 H new ATOM 379 N LYS A 46 7.609 4.982 0.302 1.00 0.00 N ATOM 380 CA LYS A 46 8.280 5.983 1.126 1.00 0.00 C ATOM 381 C LYS A 46 8.996 5.304 2.290 1.00 0.00 C ATOM 382 O LYS A 46 10.196 5.496 2.499 1.00 0.00 O ATOM 383 CB LYS A 46 7.274 7.042 1.625 1.00 0.00 C ATOM 384 CG LYS A 46 6.825 6.880 3.076 1.00 0.00 C ATOM 385 CD LYS A 46 5.868 7.981 3.497 1.00 0.00 C ATOM 386 CE LYS A 46 5.336 7.743 4.901 1.00 0.00 C ATOM 387 NZ LYS A 46 6.243 8.302 5.941 1.00 0.00 N ATOM 0 H LYS A 46 6.591 4.990 0.371 1.00 0.00 H new ATOM 0 HA LYS A 46 9.025 6.499 0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.722 8.029 1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.393 7.014 0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.342 5.911 3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.697 6.887 3.729 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.378 8.944 3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.036 8.031 2.794 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.350 8.197 4.997 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.211 6.673 5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.678 8.665 6.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.882 7.555 6.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.804 9.077 5.533 1.00 0.00 H new ATOM 401 N GLU A 47 8.261 4.489 3.035 1.00 0.00 N ATOM 402 CA GLU A 47 8.841 3.771 4.155 1.00 0.00 C ATOM 403 C GLU A 47 9.815 2.719 3.651 1.00 0.00 C ATOM 404 O GLU A 47 10.810 2.419 4.303 1.00 0.00 O ATOM 405 CB GLU A 47 7.749 3.111 4.995 1.00 0.00 C ATOM 406 CG GLU A 47 6.949 4.084 5.844 1.00 0.00 C ATOM 407 CD GLU A 47 7.819 5.098 6.564 1.00 0.00 C ATOM 408 OE1 GLU A 47 8.415 4.738 7.601 1.00 0.00 O ATOM 409 OE2 GLU A 47 7.903 6.251 6.091 1.00 0.00 O ATOM 0 H GLU A 47 7.268 4.311 2.883 1.00 0.00 H new ATOM 0 HA GLU A 47 9.377 4.484 4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.067 2.578 4.332 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.206 2.367 5.647 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.237 4.611 5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.369 3.525 6.578 1.00 0.00 H new ATOM 416 N CYS A 48 9.518 2.168 2.479 1.00 0.00 N ATOM 417 CA CYS A 48 10.365 1.150 1.875 1.00 0.00 C ATOM 418 C CYS A 48 11.660 1.762 1.355 1.00 0.00 C ATOM 419 O CYS A 48 12.708 1.117 1.374 1.00 0.00 O ATOM 420 CB CYS A 48 9.624 0.450 0.735 1.00 0.00 C ATOM 421 SG CYS A 48 8.287 -0.635 1.285 1.00 0.00 S ATOM 0 H CYS A 48 8.695 2.411 1.928 1.00 0.00 H new ATOM 0 HA CYS A 48 10.612 0.416 2.642 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.213 1.205 0.065 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.338 -0.135 0.156 1.00 0.00 H new ATOM 0 HG CYS A 48 8.742 -1.468 2.173 1.00 0.00 H new ATOM 427 N THR A 49 11.588 3.008 0.893 1.00 0.00 N ATOM 428 CA THR A 49 12.772 3.682 0.377 1.00 0.00 C ATOM 429 C THR A 49 13.792 3.889 1.490 1.00 0.00 C ATOM 430 O THR A 49 14.999 3.853 1.249 1.00 0.00 O ATOM 431 CB THR A 49 12.408 5.018 -0.287 1.00 0.00 C ATOM 432 OG1 THR A 49 13.483 5.485 -1.082 1.00 0.00 O ATOM 433 CG2 THR A 49 12.053 6.121 0.688 1.00 0.00 C ATOM 0 H THR A 49 10.733 3.564 0.866 1.00 0.00 H new ATOM 0 HA THR A 49 13.218 3.045 -0.387 1.00 0.00 H new ATOM 0 HB THR A 49 11.523 4.799 -0.885 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.235 6.336 -1.500 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.809 7.029 0.137 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.193 5.817 1.284 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.901 6.312 1.345 1.00 0.00 H new ATOM 441 N LYS A 50 13.307 4.100 2.713 1.00 0.00 N ATOM 442 CA LYS A 50 14.200 4.302 3.847 1.00 0.00 C ATOM 443 C LYS A 50 14.746 2.968 4.360 1.00 0.00 C ATOM 444 O LYS A 50 15.832 2.920 4.938 1.00 0.00 O ATOM 445 CB LYS A 50 13.488 5.068 4.968 1.00 0.00 C ATOM 446 CG LYS A 50 12.700 4.188 5.925 1.00 0.00 C ATOM 447 CD LYS A 50 11.415 4.866 6.367 1.00 0.00 C ATOM 448 CE LYS A 50 11.694 6.018 7.318 1.00 0.00 C ATOM 449 NZ LYS A 50 10.801 5.983 8.509 1.00 0.00 N ATOM 0 H LYS A 50 12.313 4.135 2.940 1.00 0.00 H new ATOM 0 HA LYS A 50 15.045 4.901 3.509 1.00 0.00 H new ATOM 0 HB2 LYS A 50 14.230 5.629 5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.811 5.796 4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.466 3.240 5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.311 3.958 6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.878 5.235 5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.767 4.138 6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.734 5.977 7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.561 6.963 6.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.623 6.953 8.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.899 5.534 8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.256 5.438 9.268 1.00 0.00 H new ATOM 463 N ILE A 51 13.995 1.884 4.142 1.00 0.00 N ATOM 464 CA ILE A 51 14.426 0.557 4.583 1.00 0.00 C ATOM 465 C ILE A 51 15.874 0.298 4.177 1.00 0.00 C ATOM 466 O ILE A 51 16.273 0.571 3.045 1.00 0.00 O ATOM 467 CB ILE A 51 13.520 -0.560 4.005 1.00 0.00 C ATOM 468 CG1 ILE A 51 12.087 -0.393 4.524 1.00 0.00 C ATOM 469 CG2 ILE A 51 14.062 -1.952 4.346 1.00 0.00 C ATOM 470 CD1 ILE A 51 11.925 -0.706 5.995 1.00 0.00 C ATOM 0 H ILE A 51 13.093 1.900 3.666 1.00 0.00 H new ATOM 0 HA ILE A 51 14.345 0.538 5.670 1.00 0.00 H new ATOM 0 HB ILE A 51 13.516 -0.468 2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.763 0.632 4.343 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.426 -1.042 3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 51 13.403 -2.712 3.926 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.062 -2.066 3.926 1.00 0.00 H new ATOM 0 HG23 ILE A 51 14.107 -2.070 5.429 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.884 -0.564 6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.216 -1.740 6.181 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.559 -0.040 6.581 1.00 0.00 H new ATOM 606 N LEU A 60 9.967 1.222 12.186 1.00 0.00 N ATOM 607 CA LEU A 60 9.569 1.445 10.804 1.00 0.00 C ATOM 608 C LEU A 60 9.020 0.155 10.205 1.00 0.00 C ATOM 609 O LEU A 60 7.870 0.109 9.769 1.00 0.00 O ATOM 610 CB LEU A 60 10.758 1.974 9.984 1.00 0.00 C ATOM 611 CG LEU A 60 10.913 1.393 8.573 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.646 1.610 7.758 1.00 0.00 C ATOM 613 CD2 LEU A 60 12.111 2.014 7.874 1.00 0.00 C ATOM 0 HA LEU A 60 8.781 2.198 10.777 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.664 3.057 9.901 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.674 1.775 10.540 1.00 0.00 H new ATOM 0 HG LEU A 60 11.081 0.319 8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.778 1.190 6.761 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.808 1.118 8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.443 2.678 7.678 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.208 1.592 6.874 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.971 3.092 7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.015 1.804 8.446 1.00 0.00 H new ATOM 625 N ARG A 61 9.839 -0.894 10.188 1.00 0.00 N ATOM 626 CA ARG A 61 9.403 -2.174 9.642 1.00 0.00 C ATOM 627 C ARG A 61 8.179 -2.672 10.398 1.00 0.00 C ATOM 628 O ARG A 61 7.302 -3.316 9.820 1.00 0.00 O ATOM 629 CB ARG A 61 10.523 -3.219 9.686 1.00 0.00 C ATOM 630 CG ARG A 61 11.428 -3.105 10.898 1.00 0.00 C ATOM 631 CD ARG A 61 12.769 -2.485 10.538 1.00 0.00 C ATOM 632 NE ARG A 61 13.413 -3.155 9.410 1.00 0.00 N ATOM 633 CZ ARG A 61 13.827 -4.421 9.424 1.00 0.00 C ATOM 634 NH1 ARG A 61 13.659 -5.176 10.503 1.00 0.00 N ATOM 635 NH2 ARG A 61 14.422 -4.932 8.356 1.00 0.00 N ATOM 0 H ARG A 61 10.796 -0.883 10.541 1.00 0.00 H new ATOM 0 HA ARG A 61 9.140 -2.021 8.595 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.078 -4.214 9.670 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.128 -3.126 8.784 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.940 -2.500 11.662 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.587 -4.094 11.328 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.625 -1.432 10.296 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.429 -2.526 11.405 1.00 0.00 H new ATOM 0 HE ARG A 61 13.555 -2.617 8.555 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.209 -4.788 11.332 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.980 -6.144 10.503 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.562 -4.356 7.526 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.740 -5.901 8.364 1.00 0.00 H new ATOM 649 N TYR A 62 8.103 -2.343 11.687 1.00 0.00 N ATOM 650 CA TYR A 62 6.958 -2.735 12.493 1.00 0.00 C ATOM 651 C TYR A 62 5.742 -1.953 12.032 1.00 0.00 C ATOM 652 O TYR A 62 4.704 -2.525 11.714 1.00 0.00 O ATOM 653 CB TYR A 62 7.220 -2.482 13.978 1.00 0.00 C ATOM 654 CG TYR A 62 7.451 -3.748 14.766 1.00 0.00 C ATOM 655 CD1 TYR A 62 8.712 -4.323 14.838 1.00 0.00 C ATOM 656 CD2 TYR A 62 6.407 -4.369 15.435 1.00 0.00 C ATOM 657 CE1 TYR A 62 8.926 -5.484 15.557 1.00 0.00 C ATOM 658 CE2 TYR A 62 6.610 -5.529 16.157 1.00 0.00 C ATOM 659 CZ TYR A 62 7.872 -6.083 16.215 1.00 0.00 C ATOM 660 OH TYR A 62 8.080 -7.239 16.932 1.00 0.00 O ATOM 0 H TYR A 62 8.815 -1.811 12.187 1.00 0.00 H new ATOM 0 HA TYR A 62 6.781 -3.803 12.366 1.00 0.00 H new ATOM 0 HB2 TYR A 62 8.090 -1.834 14.081 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.371 -1.947 14.404 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.539 -3.856 14.324 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.418 -3.938 15.391 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.913 -5.920 15.603 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.786 -5.999 16.673 1.00 0.00 H new ATOM 0 HH TYR A 62 7.236 -7.530 17.335 1.00 0.00 H new ATOM 670 N LYS A 63 5.895 -0.638 11.966 1.00 0.00 N ATOM 671 CA LYS A 63 4.826 0.234 11.507 1.00 0.00 C ATOM 672 C LYS A 63 4.445 -0.137 10.077 1.00 0.00 C ATOM 673 O LYS A 63 3.286 -0.032 9.678 1.00 0.00 O ATOM 674 CB LYS A 63 5.284 1.697 11.589 1.00 0.00 C ATOM 675 CG LYS A 63 4.422 2.677 10.807 1.00 0.00 C ATOM 676 CD LYS A 63 5.240 3.859 10.314 1.00 0.00 C ATOM 677 CE LYS A 63 5.642 3.689 8.857 1.00 0.00 C ATOM 678 NZ LYS A 63 4.946 4.665 7.972 1.00 0.00 N ATOM 0 H LYS A 63 6.753 -0.151 12.226 1.00 0.00 H new ATOM 0 HA LYS A 63 3.949 0.111 12.143 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.298 2.001 12.636 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.309 1.764 11.224 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.967 2.167 9.958 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.608 3.033 11.438 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.662 4.776 10.429 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.133 3.966 10.929 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.720 3.816 8.761 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.410 2.675 8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.578 4.172 7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.158 5.103 8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.616 5.403 7.674 1.00 0.00 H new ATOM 692 N ILE A 64 5.438 -0.572 9.312 1.00 0.00 N ATOM 693 CA ILE A 64 5.229 -0.962 7.933 1.00 0.00 C ATOM 694 C ILE A 64 4.400 -2.245 7.830 1.00 0.00 C ATOM 695 O ILE A 64 3.386 -2.285 7.132 1.00 0.00 O ATOM 696 CB ILE A 64 6.593 -1.147 7.221 1.00 0.00 C ATOM 697 CG1 ILE A 64 6.851 0.023 6.273 1.00 0.00 C ATOM 698 CG2 ILE A 64 6.669 -2.474 6.474 1.00 0.00 C ATOM 699 CD1 ILE A 64 7.983 -0.217 5.295 1.00 0.00 C ATOM 0 H ILE A 64 6.402 -0.662 9.631 1.00 0.00 H new ATOM 0 HA ILE A 64 4.670 -0.166 7.441 1.00 0.00 H new ATOM 0 HB ILE A 64 7.370 -1.164 7.985 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.939 0.233 5.714 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.075 0.912 6.862 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.641 -2.563 5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.537 -3.296 7.178 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.883 -2.513 5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.104 0.658 4.657 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.907 -0.396 5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.753 -1.086 4.679 1.00 0.00 H new ATOM 711 N GLU A 65 4.853 -3.296 8.506 1.00 0.00 N ATOM 712 CA GLU A 65 4.173 -4.588 8.463 1.00 0.00 C ATOM 713 C GLU A 65 2.979 -4.657 9.412 1.00 0.00 C ATOM 714 O GLU A 65 2.065 -5.453 9.202 1.00 0.00 O ATOM 715 CB GLU A 65 5.161 -5.707 8.795 1.00 0.00 C ATOM 716 CG GLU A 65 6.377 -5.734 7.883 1.00 0.00 C ATOM 717 CD GLU A 65 7.017 -7.106 7.805 1.00 0.00 C ATOM 718 OE1 GLU A 65 7.788 -7.454 8.725 1.00 0.00 O ATOM 719 OE2 GLU A 65 6.749 -7.832 6.825 1.00 0.00 O ATOM 0 H GLU A 65 5.689 -3.279 9.091 1.00 0.00 H new ATOM 0 HA GLU A 65 3.789 -4.713 7.451 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.493 -5.593 9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.647 -6.666 8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.083 -5.417 6.882 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.112 -5.014 8.243 1.00 0.00 H new ATOM 726 N THR A 66 2.997 -3.854 10.469 1.00 0.00 N ATOM 727 CA THR A 66 1.923 -3.866 11.445 1.00 0.00 C ATOM 728 C THR A 66 0.955 -2.695 11.264 1.00 0.00 C ATOM 729 O THR A 66 -0.078 -2.640 11.932 1.00 0.00 O ATOM 730 CB THR A 66 2.508 -3.839 12.854 1.00 0.00 C ATOM 731 OG1 THR A 66 2.853 -2.519 13.235 1.00 0.00 O ATOM 732 CG2 THR A 66 3.739 -4.708 13.020 1.00 0.00 C ATOM 0 H THR A 66 3.744 -3.189 10.669 1.00 0.00 H new ATOM 0 HA THR A 66 1.354 -4.783 11.291 1.00 0.00 H new ATOM 0 HB THR A 66 1.720 -4.239 13.493 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.347 -2.087 12.507 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.098 -4.638 14.047 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.486 -5.744 12.794 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.519 -4.368 12.339 1.00 0.00 H new ATOM 740 N GLU A 67 1.279 -1.756 10.376 1.00 0.00 N ATOM 741 CA GLU A 67 0.406 -0.606 10.159 1.00 0.00 C ATOM 742 C GLU A 67 0.234 -0.281 8.671 1.00 0.00 C ATOM 743 O GLU A 67 -0.886 -0.069 8.210 1.00 0.00 O ATOM 744 CB GLU A 67 0.934 0.613 10.935 1.00 0.00 C ATOM 745 CG GLU A 67 0.932 1.918 10.148 1.00 0.00 C ATOM 746 CD GLU A 67 -0.468 2.395 9.815 1.00 0.00 C ATOM 747 OE1 GLU A 67 -1.235 2.687 10.756 1.00 0.00 O ATOM 748 OE2 GLU A 67 -0.798 2.477 8.613 1.00 0.00 O ATOM 0 H GLU A 67 2.124 -1.768 9.805 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.583 -0.865 10.538 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.330 0.745 11.833 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.952 0.404 11.264 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.446 2.687 10.725 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.495 1.782 9.225 1.00 0.00 H new ATOM 755 N LEU A 68 1.333 -0.227 7.922 1.00 0.00 N ATOM 756 CA LEU A 68 1.249 0.094 6.498 1.00 0.00 C ATOM 757 C LEU A 68 0.641 -1.059 5.702 1.00 0.00 C ATOM 758 O LEU A 68 -0.572 -1.099 5.499 1.00 0.00 O ATOM 759 CB LEU A 68 2.626 0.464 5.938 1.00 0.00 C ATOM 760 CG LEU A 68 3.179 1.813 6.408 1.00 0.00 C ATOM 761 CD1 LEU A 68 4.440 2.171 5.635 1.00 0.00 C ATOM 762 CD2 LEU A 68 2.131 2.906 6.253 1.00 0.00 C ATOM 0 H LEU A 68 2.277 -0.398 8.269 1.00 0.00 H new ATOM 0 HA LEU A 68 0.591 0.957 6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.335 -0.317 6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.568 0.472 4.850 1.00 0.00 H new ATOM 0 HG LEU A 68 3.434 1.729 7.465 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.819 3.132 5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.196 1.403 5.797 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.209 2.235 4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.543 3.856 6.592 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.844 2.989 5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.254 2.657 6.851 1.00 0.00 H new ATOM 774 N ILE A 69 1.484 -1.990 5.246 1.00 0.00 N ATOM 775 CA ILE A 69 1.024 -3.140 4.465 1.00 0.00 C ATOM 776 C ILE A 69 -0.336 -3.651 4.953 1.00 0.00 C ATOM 777 O ILE A 69 -1.282 -3.747 4.171 1.00 0.00 O ATOM 778 CB ILE A 69 2.065 -4.288 4.492 1.00 0.00 C ATOM 779 CG1 ILE A 69 3.149 -4.035 3.440 1.00 0.00 C ATOM 780 CG2 ILE A 69 1.409 -5.645 4.254 1.00 0.00 C ATOM 781 CD1 ILE A 69 4.556 -4.237 3.956 1.00 0.00 C ATOM 0 H ILE A 69 2.491 -1.969 5.405 1.00 0.00 H new ATOM 0 HA ILE A 69 0.908 -2.798 3.436 1.00 0.00 H new ATOM 0 HB ILE A 69 2.519 -4.307 5.483 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.983 -4.701 2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.051 -3.015 3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.169 -6.426 4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.669 -5.833 5.032 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.920 -5.647 3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.269 -4.040 3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.742 -3.553 4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.673 -5.264 4.301 1.00 0.00 H new ATOM 793 N PRO A 70 -0.459 -3.982 6.250 1.00 0.00 N ATOM 794 CA PRO A 70 -1.715 -4.476 6.817 1.00 0.00 C ATOM 795 C PRO A 70 -2.897 -3.583 6.459 1.00 0.00 C ATOM 796 O PRO A 70 -4.000 -4.069 6.218 1.00 0.00 O ATOM 797 CB PRO A 70 -1.476 -4.459 8.334 1.00 0.00 C ATOM 798 CG PRO A 70 -0.190 -3.727 8.534 1.00 0.00 C ATOM 799 CD PRO A 70 0.596 -3.904 7.268 1.00 0.00 C ATOM 0 HA PRO A 70 -1.967 -5.464 6.431 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.295 -3.961 8.853 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.416 -5.472 8.732 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.371 -2.671 8.735 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.355 -4.126 9.389 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.272 -3.068 7.089 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.206 -4.807 7.291 1.00 0.00 H new ATOM 807 N ASN A 71 -2.659 -2.276 6.426 1.00 0.00 N ATOM 808 CA ASN A 71 -3.707 -1.317 6.097 1.00 0.00 C ATOM 809 C ASN A 71 -3.833 -1.141 4.587 1.00 0.00 C ATOM 810 O ASN A 71 -4.937 -0.985 4.065 1.00 0.00 O ATOM 811 CB ASN A 71 -3.422 0.034 6.757 1.00 0.00 C ATOM 812 CG ASN A 71 -3.726 0.030 8.243 1.00 0.00 C ATOM 813 OD1 ASN A 71 -4.518 -0.781 8.724 1.00 0.00 O ATOM 814 ND2 ASN A 71 -3.096 0.938 8.980 1.00 0.00 N ATOM 0 H ASN A 71 -1.750 -1.857 6.623 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.650 -1.708 6.479 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.375 0.296 6.604 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.018 0.806 6.270 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.261 0.982 9.986 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.448 1.591 8.540 1.00 0.00 H new ATOM 821 N CYS A 72 -2.702 -1.172 3.888 1.00 0.00 N ATOM 822 CA CYS A 72 -2.707 -1.020 2.439 1.00 0.00 C ATOM 823 C CYS A 72 -3.467 -2.168 1.794 1.00 0.00 C ATOM 824 O CYS A 72 -4.409 -1.952 1.032 1.00 0.00 O ATOM 825 CB CYS A 72 -1.278 -0.959 1.885 1.00 0.00 C ATOM 826 SG CYS A 72 -0.132 0.034 2.869 1.00 0.00 S ATOM 0 H CYS A 72 -1.777 -1.300 4.299 1.00 0.00 H new ATOM 0 HA CYS A 72 -3.206 -0.081 2.199 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.887 -1.974 1.811 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.311 -0.555 0.873 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.500 0.013 4.116 1.00 0.00 H new ATOM 832 N THR A 73 -3.064 -3.391 2.116 1.00 0.00 N ATOM 833 CA THR A 73 -3.726 -4.567 1.577 1.00 0.00 C ATOM 834 C THR A 73 -5.158 -4.633 2.094 1.00 0.00 C ATOM 835 O THR A 73 -6.091 -4.884 1.334 1.00 0.00 O ATOM 836 CB THR A 73 -2.959 -5.837 1.950 1.00 0.00 C ATOM 837 OG1 THR A 73 -3.301 -6.903 1.082 1.00 0.00 O ATOM 838 CG2 THR A 73 -3.215 -6.299 3.366 1.00 0.00 C ATOM 0 H THR A 73 -2.286 -3.591 2.744 1.00 0.00 H new ATOM 0 HA THR A 73 -3.746 -4.494 0.490 1.00 0.00 H new ATOM 0 HB THR A 73 -1.905 -5.574 1.857 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.799 -7.705 1.336 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.640 -7.204 3.563 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.913 -5.518 4.064 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.277 -6.509 3.494 1.00 0.00 H new ATOM 846 N SER A 74 -5.335 -4.371 3.390 1.00 0.00 N ATOM 847 CA SER A 74 -6.670 -4.370 3.976 1.00 0.00 C ATOM 848 C SER A 74 -7.549 -3.398 3.203 1.00 0.00 C ATOM 849 O SER A 74 -8.757 -3.596 3.068 1.00 0.00 O ATOM 850 CB SER A 74 -6.617 -3.972 5.453 1.00 0.00 C ATOM 851 OG SER A 74 -6.240 -5.070 6.265 1.00 0.00 O ATOM 0 H SER A 74 -4.581 -4.160 4.043 1.00 0.00 H new ATOM 0 HA SER A 74 -7.087 -5.375 3.914 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.907 -3.156 5.587 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.592 -3.601 5.768 1.00 0.00 H new ATOM 0 HG SER A 74 -5.267 -5.069 6.386 1.00 0.00 H new ATOM 857 N VAL A 75 -6.912 -2.357 2.672 1.00 0.00 N ATOM 858 CA VAL A 75 -7.597 -1.354 1.879 1.00 0.00 C ATOM 859 C VAL A 75 -8.015 -1.960 0.537 1.00 0.00 C ATOM 860 O VAL A 75 -9.026 -1.569 -0.046 1.00 0.00 O ATOM 861 CB VAL A 75 -6.687 -0.110 1.689 1.00 0.00 C ATOM 862 CG1 VAL A 75 -6.538 0.287 0.229 1.00 0.00 C ATOM 863 CG2 VAL A 75 -7.201 1.063 2.510 1.00 0.00 C ATOM 0 H VAL A 75 -5.912 -2.190 2.782 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.498 -1.026 2.398 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.696 -0.388 2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.892 1.162 0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.097 -0.539 -0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.518 0.523 -0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.549 1.924 2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.212 1.315 2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.210 0.792 3.566 1.00 0.00 H new ATOM 873 N ARG A 76 -7.243 -2.946 0.074 1.00 0.00 N ATOM 874 CA ARG A 76 -7.546 -3.639 -1.172 1.00 0.00 C ATOM 875 C ARG A 76 -8.821 -4.449 -1.005 1.00 0.00 C ATOM 876 O ARG A 76 -9.789 -4.264 -1.738 1.00 0.00 O ATOM 877 CB ARG A 76 -6.406 -4.584 -1.559 1.00 0.00 C ATOM 878 CG ARG A 76 -5.099 -3.886 -1.889 1.00 0.00 C ATOM 879 CD ARG A 76 -3.982 -4.894 -2.117 1.00 0.00 C ATOM 880 NE ARG A 76 -4.346 -5.897 -3.114 1.00 0.00 N ATOM 881 CZ ARG A 76 -3.534 -6.871 -3.518 1.00 0.00 C ATOM 882 NH1 ARG A 76 -2.311 -6.978 -3.012 1.00 0.00 N ATOM 883 NH2 ARG A 76 -3.945 -7.743 -4.429 1.00 0.00 N ATOM 0 H ARG A 76 -6.403 -3.280 0.547 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.672 -2.894 -1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.235 -5.282 -0.739 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.716 -5.175 -2.421 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.226 -3.272 -2.780 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.826 -3.214 -1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.082 -4.371 -2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.742 -5.389 -1.176 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.278 -5.848 -3.525 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.989 -6.312 -2.310 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.693 -7.727 -3.325 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.884 -7.667 -4.820 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.322 -8.489 -4.738 1.00 0.00 H new ATOM 897 N ASP A 77 -8.812 -5.347 -0.018 1.00 0.00 N ATOM 898 CA ASP A 77 -9.970 -6.188 0.265 1.00 0.00 C ATOM 899 C ASP A 77 -11.236 -5.345 0.311 1.00 0.00 C ATOM 900 O ASP A 77 -12.309 -5.789 -0.097 1.00 0.00 O ATOM 901 CB ASP A 77 -9.783 -6.925 1.593 1.00 0.00 C ATOM 902 CG ASP A 77 -10.512 -8.254 1.625 1.00 0.00 C ATOM 903 OD1 ASP A 77 -11.658 -8.314 1.131 1.00 0.00 O ATOM 904 OD2 ASP A 77 -9.937 -9.235 2.142 1.00 0.00 O ATOM 0 H ASP A 77 -8.014 -5.508 0.597 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.065 -6.924 -0.533 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.720 -7.093 1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.143 -6.297 2.408 1.00 0.00 H new ATOM 909 N LYS A 78 -11.093 -4.115 0.794 1.00 0.00 N ATOM 910 CA LYS A 78 -12.216 -3.195 0.875 1.00 0.00 C ATOM 911 C LYS A 78 -12.627 -2.764 -0.525 1.00 0.00 C ATOM 912 O LYS A 78 -13.815 -2.688 -0.844 1.00 0.00 O ATOM 913 CB LYS A 78 -11.843 -1.974 1.721 1.00 0.00 C ATOM 914 CG LYS A 78 -12.086 -2.167 3.210 1.00 0.00 C ATOM 915 CD LYS A 78 -12.913 -1.032 3.794 1.00 0.00 C ATOM 916 CE LYS A 78 -12.040 0.149 4.185 1.00 0.00 C ATOM 917 NZ LYS A 78 -11.612 0.076 5.610 1.00 0.00 N ATOM 0 H LYS A 78 -10.210 -3.735 1.134 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.056 -3.699 1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.791 -1.739 1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.418 -1.114 1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.599 -3.114 3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.130 -2.227 3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.657 -0.710 3.065 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.457 -1.389 4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.160 0.178 3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.588 1.076 4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.019 0.899 5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.451 0.074 6.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.067 -0.796 5.765 1.00 0.00 H new ATOM 931 N ILE A 79 -11.631 -2.504 -1.364 1.00 0.00 N ATOM 932 CA ILE A 79 -11.872 -2.103 -2.739 1.00 0.00 C ATOM 933 C ILE A 79 -12.379 -3.289 -3.551 1.00 0.00 C ATOM 934 O ILE A 79 -13.353 -3.176 -4.296 1.00 0.00 O ATOM 935 CB ILE A 79 -10.582 -1.543 -3.377 1.00 0.00 C ATOM 936 CG1 ILE A 79 -10.258 -0.171 -2.788 1.00 0.00 C ATOM 937 CG2 ILE A 79 -10.707 -1.462 -4.891 1.00 0.00 C ATOM 938 CD1 ILE A 79 -8.807 0.225 -2.944 1.00 0.00 C ATOM 0 H ILE A 79 -10.645 -2.565 -1.111 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.630 -1.319 -2.740 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.764 -2.226 -3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.885 0.580 -3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.515 -0.169 -1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.783 -1.064 -5.312 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.890 -2.458 -5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.537 -0.806 -5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.649 1.209 -2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.174 -0.505 -2.438 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.550 0.256 -4.003 1.00 0.00 H new ATOM 950 N GLU A 80 -11.717 -4.429 -3.391 1.00 0.00 N ATOM 951 CA GLU A 80 -12.103 -5.641 -4.096 1.00 0.00 C ATOM 952 C GLU A 80 -13.462 -6.124 -3.606 1.00 0.00 C ATOM 953 O GLU A 80 -14.241 -6.695 -4.369 1.00 0.00 O ATOM 954 CB GLU A 80 -11.052 -6.734 -3.895 1.00 0.00 C ATOM 955 CG GLU A 80 -9.658 -6.325 -4.339 1.00 0.00 C ATOM 956 CD GLU A 80 -8.783 -7.515 -4.685 1.00 0.00 C ATOM 957 OE1 GLU A 80 -8.153 -8.076 -3.763 1.00 0.00 O ATOM 958 OE2 GLU A 80 -8.727 -7.884 -5.876 1.00 0.00 O ATOM 0 H GLU A 80 -10.909 -4.537 -2.778 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.171 -5.416 -5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.023 -7.009 -2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.354 -7.623 -4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.735 -5.671 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.183 -5.748 -3.546 1.00 0.00 H new ATOM 965 N SER A 81 -13.747 -5.877 -2.329 1.00 0.00 N ATOM 966 CA SER A 81 -15.022 -6.275 -1.746 1.00 0.00 C ATOM 967 C SER A 81 -16.158 -5.536 -2.438 1.00 0.00 C ATOM 968 O SER A 81 -17.255 -6.069 -2.606 1.00 0.00 O ATOM 969 CB SER A 81 -15.039 -5.980 -0.245 1.00 0.00 C ATOM 970 OG SER A 81 -14.498 -7.061 0.494 1.00 0.00 O ATOM 0 H SER A 81 -13.114 -5.405 -1.683 1.00 0.00 H new ATOM 0 HA SER A 81 -15.154 -7.348 -1.888 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.467 -5.075 -0.043 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.062 -5.789 0.080 1.00 0.00 H new ATOM 0 HG SER A 81 -13.523 -6.975 0.533 1.00 0.00 H new ATOM 976 N ASN A 82 -15.874 -4.304 -2.847 1.00 0.00 N ATOM 977 CA ASN A 82 -16.852 -3.476 -3.537 1.00 0.00 C ATOM 978 C ASN A 82 -16.972 -3.904 -4.998 1.00 0.00 C ATOM 979 O ASN A 82 -16.166 -3.507 -5.839 1.00 0.00 O ATOM 980 CB ASN A 82 -16.435 -2.009 -3.448 1.00 0.00 C ATOM 981 CG ASN A 82 -17.568 -1.058 -3.763 1.00 0.00 C ATOM 982 OD1 ASN A 82 -18.671 -1.184 -3.231 1.00 0.00 O ATOM 983 ND2 ASN A 82 -17.297 -0.098 -4.635 1.00 0.00 N ATOM 0 H ASN A 82 -14.968 -3.856 -2.711 1.00 0.00 H new ATOM 0 HA ASN A 82 -17.824 -3.601 -3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.061 -1.802 -2.445 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.612 -1.827 -4.139 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -18.018 0.577 -4.891 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.367 -0.034 -5.050 1.00 0.00 H new ATOM 990 N ILE A 83 -17.973 -4.731 -5.288 1.00 0.00 N ATOM 991 CA ILE A 83 -18.193 -5.236 -6.642 1.00 0.00 C ATOM 992 C ILE A 83 -18.117 -4.131 -7.692 1.00 0.00 C ATOM 993 O ILE A 83 -17.751 -4.383 -8.840 1.00 0.00 O ATOM 994 CB ILE A 83 -19.554 -5.949 -6.764 1.00 0.00 C ATOM 995 CG1 ILE A 83 -19.670 -6.647 -8.121 1.00 0.00 C ATOM 996 CG2 ILE A 83 -20.693 -4.959 -6.572 1.00 0.00 C ATOM 997 CD1 ILE A 83 -18.557 -7.635 -8.391 1.00 0.00 C ATOM 0 H ILE A 83 -18.648 -5.067 -4.601 1.00 0.00 H new ATOM 0 HA ILE A 83 -17.390 -5.949 -6.829 1.00 0.00 H new ATOM 0 HB ILE A 83 -19.621 -6.704 -5.981 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -20.627 -7.167 -8.172 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -19.675 -5.893 -8.909 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -21.646 -5.480 -6.661 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -20.618 -4.506 -5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -20.631 -4.181 -7.333 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -18.705 -8.091 -9.370 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -17.598 -7.117 -8.373 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -18.565 -8.410 -7.625 1.00 0.00 H new ATOM 1009 N LEU A 84 -18.460 -2.908 -7.302 1.00 0.00 N ATOM 1010 CA LEU A 84 -18.420 -1.781 -8.227 1.00 0.00 C ATOM 1011 C LEU A 84 -17.049 -1.672 -8.889 1.00 0.00 C ATOM 1012 O LEU A 84 -16.915 -1.098 -9.969 1.00 0.00 O ATOM 1013 CB LEU A 84 -18.756 -0.481 -7.499 1.00 0.00 C ATOM 1014 CG LEU A 84 -20.248 -0.172 -7.381 1.00 0.00 C ATOM 1015 CD1 LEU A 84 -20.530 0.617 -6.111 1.00 0.00 C ATOM 1016 CD2 LEU A 84 -20.730 0.592 -8.605 1.00 0.00 C ATOM 0 H LEU A 84 -18.767 -2.672 -6.358 1.00 0.00 H new ATOM 0 HA LEU A 84 -19.166 -1.953 -9.003 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.329 -0.523 -6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.270 0.345 -8.019 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.794 -1.114 -7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.597 0.828 -6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.220 0.034 -5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.975 1.555 -6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -21.794 0.804 -8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -20.179 1.529 -8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -20.562 -0.009 -9.499 1.00 0.00 H new ATOM 1028 N ILE A 85 -16.034 -2.236 -8.239 1.00 0.00 N ATOM 1029 CA ILE A 85 -14.680 -2.209 -8.771 1.00 0.00 C ATOM 1030 C ILE A 85 -14.577 -3.073 -10.026 1.00 0.00 C ATOM 1031 O ILE A 85 -13.731 -2.836 -10.889 1.00 0.00 O ATOM 1032 CB ILE A 85 -13.657 -2.697 -7.723 1.00 0.00 C ATOM 1033 CG1 ILE A 85 -12.230 -2.574 -8.261 1.00 0.00 C ATOM 1034 CG2 ILE A 85 -13.950 -4.132 -7.316 1.00 0.00 C ATOM 1035 CD1 ILE A 85 -11.509 -1.337 -7.776 1.00 0.00 C ATOM 0 H ILE A 85 -16.126 -2.716 -7.344 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.450 -1.175 -9.027 1.00 0.00 H new ATOM 0 HB ILE A 85 -13.746 -2.064 -6.840 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.661 -3.456 -7.966 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -12.260 -2.564 -9.351 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -13.218 -4.457 -6.577 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -14.950 -4.191 -6.887 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -13.892 -4.778 -8.192 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.503 -1.314 -8.196 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.056 -0.449 -8.094 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.447 -1.355 -6.688 1.00 0.00 H new ATOM 1047 N HIS A 86 -15.448 -4.074 -10.124 1.00 0.00 N ATOM 1048 CA HIS A 86 -15.457 -4.969 -11.276 1.00 0.00 C ATOM 1049 C HIS A 86 -16.338 -4.418 -12.395 1.00 0.00 C ATOM 1050 O HIS A 86 -16.175 -4.781 -13.560 1.00 0.00 O ATOM 1051 CB HIS A 86 -15.948 -6.359 -10.863 1.00 0.00 C ATOM 1052 CG HIS A 86 -14.938 -7.144 -10.084 1.00 0.00 C ATOM 1053 ND1 HIS A 86 -14.123 -8.099 -10.655 1.00 0.00 N ATOM 1054 CD2 HIS A 86 -14.611 -7.112 -8.769 1.00 0.00 C ATOM 1055 CE1 HIS A 86 -13.341 -8.621 -9.726 1.00 0.00 C ATOM 1056 NE2 HIS A 86 -13.617 -8.039 -8.574 1.00 0.00 N ATOM 0 H HIS A 86 -16.156 -4.285 -9.420 1.00 0.00 H new ATOM 0 HA HIS A 86 -14.436 -5.045 -11.650 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -16.853 -6.253 -10.265 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -16.221 -6.920 -11.757 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -15.050 -6.476 -8.015 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -12.602 -9.393 -9.883 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -13.165 -8.245 -7.683 1.00 0.00 H new ATOM 1065 N GLN A 87 -17.272 -3.541 -12.036 1.00 0.00 N ATOM 1066 CA GLN A 87 -18.178 -2.945 -13.012 1.00 0.00 C ATOM 1067 C GLN A 87 -17.524 -1.750 -13.701 1.00 0.00 C ATOM 1068 O GLN A 87 -17.546 -1.637 -14.926 1.00 0.00 O ATOM 1069 CB GLN A 87 -19.491 -2.535 -12.326 1.00 0.00 C ATOM 1070 CG GLN A 87 -19.654 -1.037 -12.097 1.00 0.00 C ATOM 1071 CD GLN A 87 -21.002 -0.682 -11.498 1.00 0.00 C ATOM 1072 OE1 GLN A 87 -21.664 0.256 -11.942 1.00 0.00 O ATOM 1073 NE2 GLN A 87 -21.415 -1.431 -10.481 1.00 0.00 N ATOM 0 H GLN A 87 -17.421 -3.228 -11.077 1.00 0.00 H new ATOM 0 HA GLN A 87 -18.404 -3.686 -13.779 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -20.326 -2.888 -12.931 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.556 -3.044 -11.364 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.862 -0.686 -11.435 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.532 -0.513 -13.045 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.834 -2.199 -10.145 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -22.313 -1.238 -10.037 1.00 0.00 H new ATOM 1082 N ASN A 88 -16.948 -0.862 -12.901 1.00 0.00 N ATOM 1083 CA ASN A 88 -16.291 0.328 -13.429 1.00 0.00 C ATOM 1084 C ASN A 88 -14.897 -0.006 -13.949 1.00 0.00 C ATOM 1085 O ASN A 88 -13.963 -0.204 -13.173 1.00 0.00 O ATOM 1086 CB ASN A 88 -16.203 1.410 -12.348 1.00 0.00 C ATOM 1087 CG ASN A 88 -17.059 2.620 -12.671 1.00 0.00 C ATOM 1088 OD1 ASN A 88 -17.484 2.808 -13.811 1.00 0.00 O ATOM 1089 ND2 ASN A 88 -17.316 3.448 -11.666 1.00 0.00 N ATOM 0 H ASN A 88 -16.922 -0.943 -11.885 1.00 0.00 H new ATOM 0 HA ASN A 88 -16.887 0.704 -14.260 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -16.517 0.991 -11.392 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -15.165 1.722 -12.234 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -17.886 4.279 -11.823 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -16.943 3.253 -10.737 1.00 0.00 H new ATOM 1096 N GLY A 89 -14.767 -0.068 -15.271 1.00 0.00 N ATOM 1097 CA GLY A 89 -13.487 -0.379 -15.880 1.00 0.00 C ATOM 1098 C GLY A 89 -12.397 0.589 -15.466 1.00 0.00 C ATOM 1099 O GLY A 89 -11.268 0.182 -15.192 1.00 0.00 O ATOM 0 H GLY A 89 -15.527 0.092 -15.932 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.193 -1.392 -15.604 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.591 -0.362 -16.965 1.00 0.00 H new ATOM 1103 N LYS A 90 -12.734 1.874 -15.420 1.00 0.00 N ATOM 1104 CA LYS A 90 -11.774 2.902 -15.035 1.00 0.00 C ATOM 1105 C LYS A 90 -11.242 2.644 -13.629 1.00 0.00 C ATOM 1106 O LYS A 90 -10.052 2.390 -13.443 1.00 0.00 O ATOM 1107 CB LYS A 90 -12.420 4.287 -15.103 1.00 0.00 C ATOM 1108 CG LYS A 90 -12.811 4.708 -16.510 1.00 0.00 C ATOM 1109 CD LYS A 90 -12.812 6.221 -16.659 1.00 0.00 C ATOM 1110 CE LYS A 90 -13.984 6.853 -15.926 1.00 0.00 C ATOM 1111 NZ LYS A 90 -13.709 8.269 -15.556 1.00 0.00 N ATOM 0 H LYS A 90 -13.664 2.228 -15.644 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.939 2.866 -15.735 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.308 4.296 -14.470 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.728 5.022 -14.692 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.117 4.271 -17.228 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.801 4.317 -16.746 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.878 6.626 -16.271 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.859 6.483 -17.716 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -14.873 6.808 -16.556 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.202 6.278 -15.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.532 8.664 -15.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.876 8.310 -14.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.526 8.823 -16.417 1.00 0.00 H new ATOM 1125 N LEU A 91 -12.131 2.709 -12.642 1.00 0.00 N ATOM 1126 CA LEU A 91 -11.747 2.480 -11.254 1.00 0.00 C ATOM 1127 C LEU A 91 -11.080 1.122 -11.090 1.00 0.00 C ATOM 1128 O LEU A 91 -10.105 0.982 -10.350 1.00 0.00 O ATOM 1129 CB LEU A 91 -12.967 2.570 -10.345 1.00 0.00 C ATOM 1130 CG LEU A 91 -13.264 3.966 -9.808 1.00 0.00 C ATOM 1131 CD1 LEU A 91 -14.557 3.957 -9.012 1.00 0.00 C ATOM 1132 CD2 LEU A 91 -12.105 4.468 -8.956 1.00 0.00 C ATOM 0 H LEU A 91 -13.120 2.918 -12.778 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.032 3.253 -10.971 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -13.839 2.215 -10.894 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -12.825 1.894 -9.502 1.00 0.00 H new ATOM 0 HG LEU A 91 -13.384 4.648 -10.650 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.758 4.959 -8.634 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -15.378 3.640 -9.655 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -14.464 3.265 -8.175 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.334 5.466 -8.581 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.951 3.791 -8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.199 4.507 -9.561 1.00 0.00 H new ATOM 1144 N SER A 92 -11.610 0.122 -11.788 1.00 0.00 N ATOM 1145 CA SER A 92 -11.062 -1.230 -11.726 1.00 0.00 C ATOM 1146 C SER A 92 -9.548 -1.193 -11.885 1.00 0.00 C ATOM 1147 O SER A 92 -8.819 -1.904 -11.193 1.00 0.00 O ATOM 1148 CB SER A 92 -11.683 -2.108 -12.815 1.00 0.00 C ATOM 1149 OG SER A 92 -11.288 -3.461 -12.667 1.00 0.00 O ATOM 0 H SER A 92 -12.418 0.222 -12.403 1.00 0.00 H new ATOM 0 HA SER A 92 -11.304 -1.657 -10.753 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.770 -2.036 -12.769 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.381 -1.743 -13.797 1.00 0.00 H new ATOM 0 HG SER A 92 -11.699 -4.001 -13.374 1.00 0.00 H new ATOM 1155 N ALA A 93 -9.085 -0.340 -12.790 1.00 0.00 N ATOM 1156 CA ALA A 93 -7.659 -0.183 -13.037 1.00 0.00 C ATOM 1157 C ALA A 93 -7.011 0.620 -11.916 1.00 0.00 C ATOM 1158 O ALA A 93 -5.841 0.421 -11.588 1.00 0.00 O ATOM 1159 CB ALA A 93 -7.429 0.496 -14.377 1.00 0.00 C ATOM 0 H ALA A 93 -9.680 0.255 -13.367 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.199 -1.171 -13.064 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.359 0.607 -14.549 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.863 -0.111 -15.172 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.900 1.479 -14.372 1.00 0.00 H new ATOM 1165 N ASP A 94 -7.787 1.529 -11.331 1.00 0.00 N ATOM 1166 CA ASP A 94 -7.305 2.371 -10.240 1.00 0.00 C ATOM 1167 C ASP A 94 -6.592 1.539 -9.179 1.00 0.00 C ATOM 1168 O ASP A 94 -5.371 1.601 -9.047 1.00 0.00 O ATOM 1169 CB ASP A 94 -8.471 3.133 -9.605 1.00 0.00 C ATOM 1170 CG ASP A 94 -8.140 4.592 -9.356 1.00 0.00 C ATOM 1171 OD1 ASP A 94 -7.372 4.874 -8.412 1.00 0.00 O ATOM 1172 OD2 ASP A 94 -8.651 5.453 -10.104 1.00 0.00 O ATOM 0 H ASP A 94 -8.757 1.702 -11.596 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.592 3.084 -10.655 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.343 3.067 -10.256 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.741 2.658 -8.662 1.00 0.00 H new ATOM 1177 N PHE A 95 -7.363 0.760 -8.429 1.00 0.00 N ATOM 1178 CA PHE A 95 -6.810 -0.086 -7.379 1.00 0.00 C ATOM 1179 C PHE A 95 -5.818 -1.095 -7.958 1.00 0.00 C ATOM 1180 O PHE A 95 -4.766 -1.351 -7.371 1.00 0.00 O ATOM 1181 CB PHE A 95 -7.947 -0.799 -6.638 1.00 0.00 C ATOM 1182 CG PHE A 95 -7.699 -2.258 -6.373 1.00 0.00 C ATOM 1183 CD1 PHE A 95 -8.039 -3.206 -7.322 1.00 0.00 C ATOM 1184 CD2 PHE A 95 -7.124 -2.681 -5.183 1.00 0.00 C ATOM 1185 CE1 PHE A 95 -7.813 -4.550 -7.093 1.00 0.00 C ATOM 1186 CE2 PHE A 95 -6.897 -4.021 -4.949 1.00 0.00 C ATOM 1187 CZ PHE A 95 -7.241 -4.958 -5.904 1.00 0.00 C ATOM 0 H PHE A 95 -8.376 0.697 -8.529 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.267 0.540 -6.671 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.117 -0.294 -5.687 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.863 -0.699 -7.221 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.487 -2.892 -8.253 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.852 -1.954 -4.433 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.083 -5.280 -7.842 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.450 -4.338 -4.018 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.063 -6.007 -5.721 1.00 0.00 H new ATOM 1197 N LYS A 96 -6.161 -1.667 -9.110 1.00 0.00 N ATOM 1198 CA LYS A 96 -5.301 -2.650 -9.763 1.00 0.00 C ATOM 1199 C LYS A 96 -3.874 -2.128 -9.893 1.00 0.00 C ATOM 1200 O LYS A 96 -2.911 -2.871 -9.707 1.00 0.00 O ATOM 1201 CB LYS A 96 -5.852 -3.003 -11.145 1.00 0.00 C ATOM 1202 CG LYS A 96 -6.998 -3.999 -11.105 1.00 0.00 C ATOM 1203 CD LYS A 96 -7.732 -4.051 -12.434 1.00 0.00 C ATOM 1204 CE LYS A 96 -7.226 -5.186 -13.311 1.00 0.00 C ATOM 1205 NZ LYS A 96 -6.635 -4.685 -14.583 1.00 0.00 N ATOM 0 H LYS A 96 -7.027 -1.467 -9.610 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.285 -3.547 -9.144 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.191 -2.091 -11.636 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.047 -3.412 -11.755 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.613 -4.989 -10.861 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.695 -3.723 -10.313 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.800 -4.177 -12.255 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.606 -3.103 -12.957 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.478 -5.761 -12.765 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.048 -5.865 -13.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.302 -5.490 -15.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.356 -4.158 -15.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.834 -4.057 -14.370 1.00 0.00 H new ATOM 1219 N ASN A 97 -3.749 -0.845 -10.209 1.00 0.00 N ATOM 1220 CA ASN A 97 -2.441 -0.218 -10.359 1.00 0.00 C ATOM 1221 C ASN A 97 -1.785 -0.016 -8.999 1.00 0.00 C ATOM 1222 O ASN A 97 -0.568 -0.137 -8.860 1.00 0.00 O ATOM 1223 CB ASN A 97 -2.576 1.127 -11.076 1.00 0.00 C ATOM 1224 CG ASN A 97 -1.499 1.335 -12.122 1.00 0.00 C ATOM 1225 OD1 ASN A 97 -0.630 2.194 -11.972 1.00 0.00 O ATOM 1226 ND2 ASN A 97 -1.551 0.548 -13.190 1.00 0.00 N ATOM 0 H ASN A 97 -4.538 -0.218 -10.367 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.812 -0.878 -10.957 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.556 1.186 -11.550 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.528 1.933 -10.343 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.853 0.642 -13.927 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.289 -0.151 -13.273 1.00 0.00 H new ATOM 1233 N LEU A 98 -2.602 0.292 -7.999 1.00 0.00 N ATOM 1234 CA LEU A 98 -2.107 0.511 -6.647 1.00 0.00 C ATOM 1235 C LEU A 98 -1.636 -0.797 -6.027 1.00 0.00 C ATOM 1236 O LEU A 98 -0.474 -0.931 -5.645 1.00 0.00 O ATOM 1237 CB LEU A 98 -3.197 1.140 -5.780 1.00 0.00 C ATOM 1238 CG LEU A 98 -3.902 2.339 -6.411 1.00 0.00 C ATOM 1239 CD1 LEU A 98 -5.238 2.595 -5.736 1.00 0.00 C ATOM 1240 CD2 LEU A 98 -3.020 3.573 -6.338 1.00 0.00 C ATOM 0 H LEU A 98 -3.612 0.396 -8.100 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.259 1.193 -6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.942 0.379 -5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.755 1.452 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.090 2.112 -7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.722 3.453 -6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.874 1.717 -5.844 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.078 2.799 -4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.538 4.418 -6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.799 3.801 -5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.089 3.387 -6.874 1.00 0.00 H new ATOM 1252 N LYS A 99 -2.540 -1.767 -5.937 1.00 0.00 N ATOM 1253 CA LYS A 99 -2.200 -3.067 -5.371 1.00 0.00 C ATOM 1254 C LYS A 99 -1.021 -3.672 -6.118 1.00 0.00 C ATOM 1255 O LYS A 99 -0.186 -4.360 -5.531 1.00 0.00 O ATOM 1256 CB LYS A 99 -3.400 -4.017 -5.427 1.00 0.00 C ATOM 1257 CG LYS A 99 -4.029 -4.129 -6.808 1.00 0.00 C ATOM 1258 CD LYS A 99 -4.226 -5.582 -7.219 1.00 0.00 C ATOM 1259 CE LYS A 99 -3.700 -5.841 -8.622 1.00 0.00 C ATOM 1260 NZ LYS A 99 -4.302 -7.063 -9.223 1.00 0.00 N ATOM 0 H LYS A 99 -3.508 -1.679 -6.247 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.924 -2.923 -4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.083 -5.008 -5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.156 -3.675 -4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.990 -3.615 -6.813 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.395 -3.626 -7.539 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.714 -6.234 -6.511 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.286 -5.833 -7.175 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.916 -4.981 -9.255 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.616 -5.949 -8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.918 -7.205 -10.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.075 -7.888 -8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.334 -6.950 -9.278 1.00 0.00 H new ATOM 1274 N THR A 100 -0.953 -3.395 -7.414 1.00 0.00 N ATOM 1275 CA THR A 100 0.130 -3.894 -8.245 1.00 0.00 C ATOM 1276 C THR A 100 1.437 -3.203 -7.872 1.00 0.00 C ATOM 1277 O THR A 100 2.428 -3.859 -7.550 1.00 0.00 O ATOM 1278 CB THR A 100 -0.195 -3.665 -9.725 1.00 0.00 C ATOM 1279 OG1 THR A 100 -1.061 -4.676 -10.210 1.00 0.00 O ATOM 1280 CG2 THR A 100 1.025 -3.642 -10.619 1.00 0.00 C ATOM 0 H THR A 100 -1.638 -2.826 -7.911 1.00 0.00 H new ATOM 0 HA THR A 100 0.243 -4.965 -8.076 1.00 0.00 H new ATOM 0 HB THR A 100 -0.667 -2.683 -9.763 1.00 0.00 H new ATOM 0 HG1 THR A 100 -1.986 -4.355 -10.182 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.717 -3.476 -11.651 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.691 -2.838 -10.305 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.548 -4.596 -10.546 1.00 0.00 H new ATOM 1288 N LYS A 101 1.429 -1.874 -7.909 1.00 0.00 N ATOM 1289 CA LYS A 101 2.613 -1.102 -7.564 1.00 0.00 C ATOM 1290 C LYS A 101 3.010 -1.375 -6.120 1.00 0.00 C ATOM 1291 O LYS A 101 4.193 -1.413 -5.786 1.00 0.00 O ATOM 1292 CB LYS A 101 2.363 0.397 -7.785 1.00 0.00 C ATOM 1293 CG LYS A 101 1.616 1.084 -6.649 1.00 0.00 C ATOM 1294 CD LYS A 101 1.599 2.594 -6.828 1.00 0.00 C ATOM 1295 CE LYS A 101 2.841 3.239 -6.234 1.00 0.00 C ATOM 1296 NZ LYS A 101 2.929 4.689 -6.563 1.00 0.00 N ATOM 0 H LYS A 101 0.619 -1.313 -8.173 1.00 0.00 H new ATOM 0 HA LYS A 101 3.433 -1.407 -8.214 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.322 0.896 -7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.796 0.526 -8.707 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.593 0.710 -6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.087 0.834 -5.698 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.535 2.835 -7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.710 3.008 -6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.832 3.113 -5.151 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.729 2.728 -6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.790 5.090 -6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.963 4.809 -7.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.095 5.182 -6.185 1.00 0.00 H new ATOM 1310 N TYR A 102 2.006 -1.575 -5.271 1.00 0.00 N ATOM 1311 CA TYR A 102 2.239 -1.854 -3.859 1.00 0.00 C ATOM 1312 C TYR A 102 3.026 -3.151 -3.691 1.00 0.00 C ATOM 1313 O TYR A 102 3.900 -3.251 -2.830 1.00 0.00 O ATOM 1314 CB TYR A 102 0.899 -1.927 -3.113 1.00 0.00 C ATOM 1315 CG TYR A 102 0.930 -2.747 -1.838 1.00 0.00 C ATOM 1316 CD1 TYR A 102 1.740 -2.384 -0.768 1.00 0.00 C ATOM 1317 CD2 TYR A 102 0.144 -3.884 -1.710 1.00 0.00 C ATOM 1318 CE1 TYR A 102 1.765 -3.135 0.394 1.00 0.00 C ATOM 1319 CE2 TYR A 102 0.163 -4.637 -0.552 1.00 0.00 C ATOM 1320 CZ TYR A 102 0.974 -4.258 0.495 1.00 0.00 C ATOM 1321 OH TYR A 102 0.998 -5.008 1.646 1.00 0.00 O ATOM 0 H TYR A 102 1.022 -1.549 -5.538 1.00 0.00 H new ATOM 0 HA TYR A 102 2.832 -1.045 -3.432 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.578 -0.914 -2.870 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.148 -2.348 -3.782 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.359 -1.502 -0.845 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.493 -4.185 -2.529 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.401 -2.842 1.217 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.455 -5.519 -0.468 1.00 0.00 H new ATOM 0 HH TYR A 102 0.599 -5.886 1.473 1.00 0.00 H new ATOM 1331 N GLN A 103 2.714 -4.141 -4.522 1.00 0.00 N ATOM 1332 CA GLN A 103 3.398 -5.428 -4.464 1.00 0.00 C ATOM 1333 C GLN A 103 4.890 -5.257 -4.722 1.00 0.00 C ATOM 1334 O GLN A 103 5.720 -5.878 -4.060 1.00 0.00 O ATOM 1335 CB GLN A 103 2.801 -6.398 -5.487 1.00 0.00 C ATOM 1336 CG GLN A 103 1.379 -6.830 -5.165 1.00 0.00 C ATOM 1337 CD GLN A 103 1.175 -8.324 -5.318 1.00 0.00 C ATOM 1338 OE1 GLN A 103 1.138 -9.062 -4.333 1.00 0.00 O ATOM 1339 NE2 GLN A 103 1.039 -8.778 -6.559 1.00 0.00 N ATOM 0 H GLN A 103 1.994 -4.077 -5.242 1.00 0.00 H new ATOM 0 HA GLN A 103 3.261 -5.839 -3.464 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.814 -5.928 -6.470 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.435 -7.283 -5.548 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.137 -6.537 -4.144 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.686 -6.303 -5.821 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.076 -8.130 -7.346 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.897 -9.774 -6.725 1.00 0.00 H new ATOM 1348 N SER A 104 5.226 -4.409 -5.685 1.00 0.00 N ATOM 1349 CA SER A 104 6.620 -4.156 -6.022 1.00 0.00 C ATOM 1350 C SER A 104 7.350 -3.536 -4.838 1.00 0.00 C ATOM 1351 O SER A 104 8.524 -3.819 -4.599 1.00 0.00 O ATOM 1352 CB SER A 104 6.710 -3.220 -7.226 1.00 0.00 C ATOM 1353 OG SER A 104 7.772 -3.594 -8.087 1.00 0.00 O ATOM 0 H SER A 104 4.553 -3.886 -6.246 1.00 0.00 H new ATOM 0 HA SER A 104 7.091 -5.107 -6.270 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.769 -3.238 -7.776 1.00 0.00 H new ATOM 0 HB3 SER A 104 6.859 -2.196 -6.884 1.00 0.00 H new ATOM 0 HG SER A 104 7.806 -2.980 -8.850 1.00 0.00 H new ATOM 1359 N LEU A 105 6.644 -2.685 -4.104 1.00 0.00 N ATOM 1360 CA LEU A 105 7.213 -2.014 -2.946 1.00 0.00 C ATOM 1361 C LEU A 105 7.584 -3.012 -1.863 1.00 0.00 C ATOM 1362 O LEU A 105 8.706 -3.007 -1.358 1.00 0.00 O ATOM 1363 CB LEU A 105 6.215 -0.999 -2.389 1.00 0.00 C ATOM 1364 CG LEU A 105 5.681 0.006 -3.406 1.00 0.00 C ATOM 1365 CD1 LEU A 105 4.509 0.784 -2.827 1.00 0.00 C ATOM 1366 CD2 LEU A 105 6.790 0.944 -3.846 1.00 0.00 C ATOM 0 H LEU A 105 5.671 -2.443 -4.293 1.00 0.00 H new ATOM 0 HA LEU A 105 8.119 -1.499 -3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.372 -1.540 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.692 -0.452 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 105 5.323 -0.538 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.143 1.495 -3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.709 0.093 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.834 1.322 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.397 1.657 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.176 1.483 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.594 0.367 -4.303 1.00 0.00 H new ATOM 1378 N GLN A 106 6.635 -3.867 -1.505 1.00 0.00 N ATOM 1379 CA GLN A 106 6.878 -4.869 -0.471 1.00 0.00 C ATOM 1380 C GLN A 106 8.068 -5.745 -0.845 1.00 0.00 C ATOM 1381 O GLN A 106 8.894 -6.084 0.001 1.00 0.00 O ATOM 1382 CB GLN A 106 5.643 -5.754 -0.222 1.00 0.00 C ATOM 1383 CG GLN A 106 4.481 -5.529 -1.178 1.00 0.00 C ATOM 1384 CD GLN A 106 3.477 -6.664 -1.147 1.00 0.00 C ATOM 1385 OE1 GLN A 106 3.450 -7.510 -2.042 1.00 0.00 O ATOM 1386 NE2 GLN A 106 2.648 -6.691 -0.113 1.00 0.00 N ATOM 0 H GLN A 106 5.699 -3.889 -1.909 1.00 0.00 H new ATOM 0 HA GLN A 106 7.097 -4.330 0.451 1.00 0.00 H new ATOM 0 HB2 GLN A 106 5.946 -6.799 -0.284 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.293 -5.584 0.796 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.979 -4.596 -0.921 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.865 -5.415 -2.192 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.706 -5.970 0.606 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.953 -7.433 -0.036 1.00 0.00 H new ATOM 1395 N GLN A 107 8.144 -6.112 -2.120 1.00 0.00 N ATOM 1396 CA GLN A 107 9.228 -6.955 -2.614 1.00 0.00 C ATOM 1397 C GLN A 107 10.568 -6.223 -2.584 1.00 0.00 C ATOM 1398 O GLN A 107 11.563 -6.759 -2.097 1.00 0.00 O ATOM 1399 CB GLN A 107 8.933 -7.424 -4.041 1.00 0.00 C ATOM 1400 CG GLN A 107 7.503 -7.895 -4.248 1.00 0.00 C ATOM 1401 CD GLN A 107 7.412 -9.374 -4.571 1.00 0.00 C ATOM 1402 OE1 GLN A 107 8.414 -10.017 -4.885 1.00 0.00 O ATOM 1403 NE2 GLN A 107 6.205 -9.923 -4.497 1.00 0.00 N ATOM 0 H GLN A 107 7.466 -5.838 -2.832 1.00 0.00 H new ATOM 0 HA GLN A 107 9.295 -7.819 -1.953 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.140 -6.607 -4.732 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.614 -8.237 -4.295 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.923 -7.688 -3.348 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.050 -7.322 -5.058 1.00 0.00 H new ATOM 0 HE21 GLN A 107 5.401 -9.354 -4.233 1.00 0.00 H new ATOM 0 HE22 GLN A 107 6.082 -10.914 -4.704 1.00 0.00 H new ATOM 1412 N SER A 108 10.593 -5.003 -3.113 1.00 0.00 N ATOM 1413 CA SER A 108 11.821 -4.213 -3.149 1.00 0.00 C ATOM 1414 C SER A 108 12.340 -3.944 -1.741 1.00 0.00 C ATOM 1415 O SER A 108 13.549 -3.920 -1.504 1.00 0.00 O ATOM 1416 CB SER A 108 11.577 -2.889 -3.875 1.00 0.00 C ATOM 1417 OG SER A 108 12.783 -2.159 -4.023 1.00 0.00 O ATOM 0 H SER A 108 9.781 -4.541 -3.521 1.00 0.00 H new ATOM 0 HA SER A 108 12.575 -4.785 -3.690 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.143 -3.083 -4.856 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.854 -2.293 -3.318 1.00 0.00 H new ATOM 0 HG SER A 108 12.601 -1.318 -4.491 1.00 0.00 H new ATOM 1423 N TYR A 109 11.416 -3.734 -0.815 1.00 0.00 N ATOM 1424 CA TYR A 109 11.763 -3.454 0.572 1.00 0.00 C ATOM 1425 C TYR A 109 12.019 -4.741 1.347 1.00 0.00 C ATOM 1426 O TYR A 109 12.969 -4.826 2.124 1.00 0.00 O ATOM 1427 CB TYR A 109 10.638 -2.630 1.209 1.00 0.00 C ATOM 1428 CG TYR A 109 10.147 -3.113 2.560 1.00 0.00 C ATOM 1429 CD1 TYR A 109 11.019 -3.301 3.626 1.00 0.00 C ATOM 1430 CD2 TYR A 109 8.799 -3.364 2.765 1.00 0.00 C ATOM 1431 CE1 TYR A 109 10.560 -3.729 4.854 1.00 0.00 C ATOM 1432 CE2 TYR A 109 8.331 -3.791 3.989 1.00 0.00 C ATOM 1433 CZ TYR A 109 9.215 -3.972 5.032 1.00 0.00 C ATOM 1434 OH TYR A 109 8.752 -4.398 6.256 1.00 0.00 O ATOM 0 H TYR A 109 10.413 -3.752 -1.000 1.00 0.00 H new ATOM 0 HA TYR A 109 12.689 -2.879 0.604 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.983 -1.602 1.316 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.792 -2.613 0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.073 -3.109 3.490 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.103 -3.222 1.951 1.00 0.00 H new ATOM 0 HE1 TYR A 109 11.251 -3.873 5.672 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.278 -3.983 4.131 1.00 0.00 H new ATOM 0 HH TYR A 109 9.101 -3.812 6.960 1.00 0.00 H new ATOM 1444 N ASN A 110 11.169 -5.738 1.138 1.00 0.00 N ATOM 1445 CA ASN A 110 11.319 -7.011 1.832 1.00 0.00 C ATOM 1446 C ASN A 110 12.736 -7.542 1.664 1.00 0.00 C ATOM 1447 O ASN A 110 13.366 -7.987 2.624 1.00 0.00 O ATOM 1448 CB ASN A 110 10.308 -8.035 1.313 1.00 0.00 C ATOM 1449 CG ASN A 110 8.970 -7.935 2.021 1.00 0.00 C ATOM 1450 OD1 ASN A 110 8.907 -7.655 3.218 1.00 0.00 O ATOM 1451 ND2 ASN A 110 7.891 -8.164 1.282 1.00 0.00 N ATOM 0 H ASN A 110 10.375 -5.692 0.499 1.00 0.00 H new ATOM 0 HA ASN A 110 11.128 -6.845 2.892 1.00 0.00 H new ATOM 0 HB2 ASN A 110 10.162 -7.887 0.243 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.712 -9.039 1.444 1.00 0.00 H new ATOM 0 HD21 ASN A 110 6.964 -8.111 1.703 1.00 0.00 H new ATOM 0 HD22 ASN A 110 7.989 -8.393 0.293 1.00 0.00 H new ATOM 1458 N GLN A 111 13.244 -7.474 0.441 1.00 0.00 N ATOM 1459 CA GLN A 111 14.598 -7.930 0.171 1.00 0.00 C ATOM 1460 C GLN A 111 15.591 -7.056 0.919 1.00 0.00 C ATOM 1461 O GLN A 111 16.376 -7.542 1.732 1.00 0.00 O ATOM 1462 CB GLN A 111 14.908 -7.900 -1.327 1.00 0.00 C ATOM 1463 CG GLN A 111 14.547 -6.597 -2.022 1.00 0.00 C ATOM 1464 CD GLN A 111 14.352 -6.774 -3.514 1.00 0.00 C ATOM 1465 OE1 GLN A 111 13.224 -6.862 -3.999 1.00 0.00 O ATOM 1466 NE2 GLN A 111 15.455 -6.832 -4.250 1.00 0.00 N ATOM 0 H GLN A 111 12.744 -7.111 -0.371 1.00 0.00 H new ATOM 0 HA GLN A 111 14.683 -8.961 0.513 1.00 0.00 H new ATOM 0 HB2 GLN A 111 15.972 -8.089 -1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 111 14.372 -8.716 -1.812 1.00 0.00 H new ATOM 0 HG2 GLN A 111 13.633 -6.196 -1.584 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.334 -5.864 -1.845 1.00 0.00 H new ATOM 0 HE21 GLN A 111 16.370 -6.754 -3.805 1.00 0.00 H new ATOM 0 HE22 GLN A 111 15.388 -6.954 -5.260 1.00 0.00 H new ATOM 1475 N ARG A 112 15.531 -5.758 0.643 1.00 0.00 N ATOM 1476 CA ARG A 112 16.406 -4.785 1.283 1.00 0.00 C ATOM 1477 C ARG A 112 16.417 -4.975 2.795 1.00 0.00 C ATOM 1478 O ARG A 112 17.468 -4.909 3.433 1.00 0.00 O ATOM 1479 CB ARG A 112 15.945 -3.366 0.948 1.00 0.00 C ATOM 1480 CG ARG A 112 16.767 -2.697 -0.138 1.00 0.00 C ATOM 1481 CD ARG A 112 16.703 -1.182 -0.024 1.00 0.00 C ATOM 1482 NE ARG A 112 17.990 -0.556 -0.314 1.00 0.00 N ATOM 1483 CZ ARG A 112 18.450 -0.341 -1.544 1.00 0.00 C ATOM 1484 NH1 ARG A 112 17.734 -0.705 -2.601 1.00 0.00 N ATOM 1485 NH2 ARG A 112 19.630 0.238 -1.717 1.00 0.00 N ATOM 0 H ARG A 112 14.878 -5.353 -0.027 1.00 0.00 H new ATOM 0 HA ARG A 112 17.417 -4.938 0.906 1.00 0.00 H new ATOM 0 HB2 ARG A 112 14.902 -3.397 0.634 1.00 0.00 H new ATOM 0 HB3 ARG A 112 15.988 -2.757 1.851 1.00 0.00 H new ATOM 0 HG2 ARG A 112 17.804 -3.026 -0.067 1.00 0.00 H new ATOM 0 HG3 ARG A 112 16.401 -3.006 -1.117 1.00 0.00 H new ATOM 0 HD2 ARG A 112 15.950 -0.798 -0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 112 16.385 -0.907 0.982 1.00 0.00 H new ATOM 0 HE ARG A 112 18.571 -0.266 0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 112 16.826 -1.152 -2.473 1.00 0.00 H new ATOM 0 HH12 ARG A 112 18.092 -0.538 -3.541 1.00 0.00 H new ATOM 0 HH21 ARG A 112 20.184 0.518 -0.908 1.00 0.00 H new ATOM 0 HH22 ARG A 112 19.984 0.403 -2.659 1.00 0.00 H new ATOM 1499 N LYS A 113 15.239 -5.209 3.360 1.00 0.00 N ATOM 1500 CA LYS A 113 15.113 -5.406 4.799 1.00 0.00 C ATOM 1501 C LYS A 113 15.916 -6.626 5.247 1.00 0.00 C ATOM 1502 O LYS A 113 16.382 -6.694 6.384 1.00 0.00 O ATOM 1503 CB LYS A 113 13.632 -5.526 5.201 1.00 0.00 C ATOM 1504 CG LYS A 113 13.050 -6.933 5.118 1.00 0.00 C ATOM 1505 CD LYS A 113 12.219 -7.261 6.348 1.00 0.00 C ATOM 1506 CE LYS A 113 10.871 -6.558 6.309 1.00 0.00 C ATOM 1507 NZ LYS A 113 9.776 -7.422 6.829 1.00 0.00 N ATOM 0 H LYS A 113 14.360 -5.267 2.846 1.00 0.00 H new ATOM 0 HA LYS A 113 15.525 -4.534 5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 113 13.518 -5.163 6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.044 -4.868 4.561 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.432 -7.021 4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 113 13.858 -7.658 5.019 1.00 0.00 H new ATOM 0 HD2 LYS A 113 12.068 -8.339 6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 113 12.761 -6.963 7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 113 10.922 -5.643 6.899 1.00 0.00 H new ATOM 0 HE3 LYS A 113 10.645 -6.264 5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.994 -7.441 6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.134 -8.388 6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 9.434 -7.042 7.734 1.00 0.00 H new ATOM 1521 N SER A 114 16.080 -7.583 4.337 1.00 0.00 N ATOM 1522 CA SER A 114 16.835 -8.796 4.628 1.00 0.00 C ATOM 1523 C SER A 114 18.331 -8.572 4.410 1.00 0.00 C ATOM 1524 O SER A 114 19.163 -9.260 5.000 1.00 0.00 O ATOM 1525 CB SER A 114 16.348 -9.948 3.748 1.00 0.00 C ATOM 1526 OG SER A 114 17.051 -11.144 4.036 1.00 0.00 O ATOM 0 H SER A 114 15.699 -7.541 3.392 1.00 0.00 H new ATOM 0 HA SER A 114 16.672 -9.053 5.675 1.00 0.00 H new ATOM 0 HB2 SER A 114 15.281 -10.103 3.905 1.00 0.00 H new ATOM 0 HB3 SER A 114 16.481 -9.688 2.698 1.00 0.00 H new ATOM 0 HG SER A 114 16.719 -11.865 3.461 1.00 0.00 H new