USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 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 23 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 TYR OH : rot 30:sc= -0.44 USER MOD Set 2.1: A 36 ASN : amide:sc= -9.65! C(o=-13!,f=-6.3!) USER MOD Set 2.2: A 37 SER OG : rot -150:sc= -2.99! USER MOD Single : A 5 THR OG1 : rot -42:sc= -0.199! USER MOD Single : A 10 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0887) USER MOD Single : A 14 SER OG : rot 92:sc= 1.05 USER MOD Single : A 18 LYS NZ :NH3+ 161:sc= -0.209 (180deg=-0.625) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= -0.0337 (180deg=-0.352) USER MOD Single : A 30 LYS NZ :NH3+ -156:sc= -6.16! (180deg=-6.45!) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 35 HIS : no HD1:sc= -1.01 K(o=-1,f=-2.2!) USER MOD Single : A 38 ASN : amide:sc= -0.668 X(o=-0.67,f=-1.1) USER MOD Single : A 44 GLN : amide:sc= -1.95 K(o=-2,f=-0.74) USER MOD Single : A 47 MET CE :methyl 154:sc= -1.25 (180deg=-3.87!) USER MOD Single : A 48 HIS : no HD1:sc= -0.137 K(o=-0.14,f=-0.64) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 30:sc= 0.394 USER MOD Single : A 61 GLN : amide:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -59:sc= 1.01 USER MOD Single : A 68 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.31) USER MOD Single : A 75 THR OG1 : rot 68:sc= 0.675 USER MOD Single : A 76 GLN : amide:sc= -6.52! C(o=-6.5!,f=-11!) USER MOD Single : A 79 LYS NZ :NH3+ -147:sc= -0.177 (180deg=-1.05) USER MOD ----------------------------------------------------------------- ATOM 27 N VAL A 3 -3.787 -18.489 13.266 1.00 0.00 N ATOM 28 CA VAL A 3 -2.707 -19.106 14.033 1.00 0.00 C ATOM 29 C VAL A 3 -1.719 -18.048 14.502 1.00 0.00 C ATOM 30 O VAL A 3 -0.720 -17.776 13.843 1.00 0.00 O ATOM 31 CB VAL A 3 -1.982 -20.140 13.168 1.00 0.00 C ATOM 32 CG1 VAL A 3 -1.417 -19.463 11.901 1.00 0.00 C ATOM 33 CG2 VAL A 3 -0.838 -20.758 13.978 1.00 0.00 C ATOM 0 HA VAL A 3 -3.135 -19.599 14.905 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.683 -20.919 12.869 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.903 -20.205 11.291 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.234 -19.025 11.328 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.715 -18.680 12.189 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.317 -21.496 13.368 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.140 -19.976 14.277 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.242 -21.243 14.867 1.00 0.00 H new ATOM 43 N TRP A 4 -2.008 -17.444 15.648 1.00 0.00 N ATOM 44 CA TRP A 4 -1.141 -16.406 16.205 1.00 0.00 C ATOM 45 C TRP A 4 -0.663 -16.798 17.598 1.00 0.00 C ATOM 46 O TRP A 4 -1.457 -17.192 18.452 1.00 0.00 O ATOM 47 CB TRP A 4 -1.908 -15.088 16.272 1.00 0.00 C ATOM 48 CG TRP A 4 -2.249 -14.647 14.883 1.00 0.00 C ATOM 49 CD1 TRP A 4 -3.489 -14.675 14.341 1.00 0.00 C ATOM 50 CD2 TRP A 4 -1.362 -14.126 13.850 1.00 0.00 C ATOM 51 NE1 TRP A 4 -3.419 -14.200 13.044 1.00 0.00 N ATOM 52 CE2 TRP A 4 -2.131 -13.848 12.696 1.00 0.00 C ATOM 53 CE3 TRP A 4 0.019 -13.866 13.807 1.00 0.00 C ATOM 54 CZ2 TRP A 4 -1.548 -13.334 11.537 1.00 0.00 C ATOM 55 CZ3 TRP A 4 0.609 -13.349 12.642 1.00 0.00 C ATOM 56 CH2 TRP A 4 -0.173 -13.082 11.510 1.00 0.00 C ATOM 0 H TRP A 4 -2.833 -17.652 16.211 1.00 0.00 H new ATOM 0 HA TRP A 4 -0.269 -16.291 15.561 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -2.817 -15.212 16.861 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.306 -14.328 16.770 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -4.386 -15.013 14.839 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.222 -14.120 12.420 1.00 0.00 H new ATOM 0 HE3 TRP A 4 0.630 -14.065 14.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -2.155 -13.132 10.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 1.671 -13.156 12.618 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.286 -12.682 10.618 1.00 0.00 H new ATOM 67 N THR A 5 0.640 -16.669 17.820 1.00 0.00 N ATOM 68 CA THR A 5 1.227 -16.994 19.113 1.00 0.00 C ATOM 69 C THR A 5 2.670 -16.501 19.174 1.00 0.00 C ATOM 70 O THR A 5 3.570 -17.221 19.614 1.00 0.00 O ATOM 71 CB THR A 5 1.190 -18.505 19.344 1.00 0.00 C ATOM 72 OG1 THR A 5 -0.044 -19.023 18.874 1.00 0.00 O ATOM 73 CG2 THR A 5 1.336 -18.797 20.838 1.00 0.00 C ATOM 0 H THR A 5 1.308 -16.342 17.122 1.00 0.00 H new ATOM 0 HA THR A 5 0.647 -16.499 19.892 1.00 0.00 H new ATOM 0 HB THR A 5 2.010 -18.977 18.803 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.772 -18.420 19.133 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.310 -19.874 21.002 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.285 -18.399 21.196 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.517 -18.327 21.382 1.00 0.00 H new ATOM 81 N PRO A 6 2.900 -15.290 18.745 1.00 0.00 N ATOM 82 CA PRO A 6 4.257 -14.670 18.745 1.00 0.00 C ATOM 83 C PRO A 6 4.801 -14.491 20.159 1.00 0.00 C ATOM 84 O PRO A 6 4.116 -14.779 21.140 1.00 0.00 O ATOM 85 CB PRO A 6 4.022 -13.315 18.056 1.00 0.00 C ATOM 86 CG PRO A 6 2.577 -13.024 18.280 1.00 0.00 C ATOM 87 CD PRO A 6 1.886 -14.371 18.207 1.00 0.00 C ATOM 0 HA PRO A 6 5.002 -15.285 18.240 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.654 -12.537 18.485 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.256 -13.365 16.993 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.416 -12.550 19.248 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.191 -12.341 17.523 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.971 -14.388 18.799 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.609 -14.628 17.185 1.00 0.00 H new ATOM 95 N GLU A 7 6.037 -14.014 20.253 1.00 0.00 N ATOM 96 CA GLU A 7 6.663 -13.805 21.552 1.00 0.00 C ATOM 97 C GLU A 7 5.696 -13.087 22.491 1.00 0.00 C ATOM 98 O GLU A 7 5.869 -13.101 23.708 1.00 0.00 O ATOM 99 CB GLU A 7 7.938 -12.970 21.392 1.00 0.00 C ATOM 100 CG GLU A 7 8.666 -12.893 22.736 1.00 0.00 C ATOM 101 CD GLU A 7 9.987 -12.152 22.575 1.00 0.00 C ATOM 102 OE1 GLU A 7 10.415 -11.984 21.446 1.00 0.00 O ATOM 103 OE2 GLU A 7 10.552 -11.764 23.584 1.00 0.00 O ATOM 0 H GLU A 7 6.620 -13.767 19.453 1.00 0.00 H new ATOM 0 HA GLU A 7 6.920 -14.776 21.976 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.587 -13.417 20.639 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.689 -11.968 21.043 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.041 -12.382 23.468 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.848 -13.898 23.118 1.00 0.00 H new ATOM 110 N VAL A 8 4.676 -12.454 21.915 1.00 0.00 N ATOM 111 CA VAL A 8 3.698 -11.727 22.718 1.00 0.00 C ATOM 112 C VAL A 8 3.185 -12.613 23.844 1.00 0.00 C ATOM 113 O VAL A 8 3.251 -12.243 25.017 1.00 0.00 O ATOM 114 CB VAL A 8 2.524 -11.292 21.839 1.00 0.00 C ATOM 115 CG1 VAL A 8 1.551 -10.449 22.662 1.00 0.00 C ATOM 116 CG2 VAL A 8 3.046 -10.467 20.660 1.00 0.00 C ATOM 0 H VAL A 8 4.507 -12.430 20.909 1.00 0.00 H new ATOM 0 HA VAL A 8 4.179 -10.846 23.144 1.00 0.00 H new ATOM 0 HB VAL A 8 2.007 -12.175 21.463 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.716 -10.140 22.034 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.177 -11.038 23.499 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.065 -9.566 23.041 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.209 -10.157 20.034 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.565 -9.585 21.035 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.736 -11.071 20.071 1.00 0.00 H new ATOM 126 N LEU A 9 2.694 -13.790 23.486 1.00 0.00 N ATOM 127 CA LEU A 9 2.195 -14.723 24.479 1.00 0.00 C ATOM 128 C LEU A 9 3.333 -15.175 25.387 1.00 0.00 C ATOM 129 O LEU A 9 3.154 -15.340 26.595 1.00 0.00 O ATOM 130 CB LEU A 9 1.561 -15.940 23.794 1.00 0.00 C ATOM 131 CG LEU A 9 1.033 -16.921 24.852 1.00 0.00 C ATOM 132 CD1 LEU A 9 -0.033 -16.231 25.717 1.00 0.00 C ATOM 133 CD2 LEU A 9 0.421 -18.135 24.154 1.00 0.00 C ATOM 0 H LEU A 9 2.631 -14.118 22.522 1.00 0.00 H new ATOM 0 HA LEU A 9 1.436 -14.222 25.079 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.746 -15.619 23.145 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.297 -16.436 23.161 1.00 0.00 H new ATOM 0 HG LEU A 9 1.856 -17.242 25.490 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.404 -16.932 26.465 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.406 -15.367 26.215 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.859 -15.905 25.085 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.045 -18.833 24.902 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.400 -17.811 23.515 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.181 -18.627 23.547 1.00 0.00 H new ATOM 145 N LYS A 10 4.500 -15.394 24.790 1.00 0.00 N ATOM 146 CA LYS A 10 5.660 -15.846 25.547 1.00 0.00 C ATOM 147 C LYS A 10 5.976 -14.846 26.651 1.00 0.00 C ATOM 148 O LYS A 10 6.210 -15.227 27.795 1.00 0.00 O ATOM 149 CB LYS A 10 6.873 -15.978 24.622 1.00 0.00 C ATOM 150 CG LYS A 10 8.038 -16.593 25.387 1.00 0.00 C ATOM 151 CD LYS A 10 9.234 -16.749 24.445 1.00 0.00 C ATOM 152 CE LYS A 10 10.302 -17.591 25.123 1.00 0.00 C ATOM 153 NZ LYS A 10 10.886 -16.846 26.276 1.00 0.00 N ATOM 0 H LYS A 10 4.666 -15.267 23.792 1.00 0.00 H new ATOM 0 HA LYS A 10 5.435 -16.818 25.987 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.621 -16.600 23.763 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.156 -14.999 24.235 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.307 -15.961 26.233 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.750 -17.563 25.792 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.919 -17.221 23.514 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.637 -15.770 24.185 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.871 -18.531 25.468 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.085 -17.843 24.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 11.694 -17.377 26.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 11.207 -15.910 25.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.165 -16.731 27.016 1.00 0.00 H new ATOM 167 N ALA A 11 5.971 -13.564 26.302 1.00 0.00 N ATOM 168 CA ALA A 11 6.247 -12.518 27.276 1.00 0.00 C ATOM 169 C ALA A 11 5.122 -12.445 28.300 1.00 0.00 C ATOM 170 O ALA A 11 5.356 -12.200 29.484 1.00 0.00 O ATOM 171 CB ALA A 11 6.393 -11.168 26.573 1.00 0.00 C ATOM 0 H ALA A 11 5.780 -13.227 25.358 1.00 0.00 H new ATOM 0 HA ALA A 11 7.180 -12.756 27.787 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.599 -10.394 27.312 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.215 -11.217 25.859 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.469 -10.930 26.046 1.00 0.00 H new ATOM 177 N ARG A 12 3.897 -12.657 27.832 1.00 0.00 N ATOM 178 CA ARG A 12 2.740 -12.612 28.710 1.00 0.00 C ATOM 179 C ARG A 12 2.833 -13.711 29.760 1.00 0.00 C ATOM 180 O ARG A 12 2.563 -13.484 30.939 1.00 0.00 O ATOM 181 CB ARG A 12 1.455 -12.790 27.892 1.00 0.00 C ATOM 182 CG ARG A 12 0.231 -12.665 28.813 1.00 0.00 C ATOM 183 CD ARG A 12 0.156 -11.242 29.390 1.00 0.00 C ATOM 184 NE ARG A 12 -1.225 -10.889 29.673 1.00 0.00 N ATOM 185 CZ ARG A 12 -1.522 -9.783 30.346 1.00 0.00 C ATOM 186 NH1 ARG A 12 -0.565 -8.998 30.762 1.00 0.00 N ATOM 187 NH2 ARG A 12 -2.767 -9.481 30.590 1.00 0.00 N ATOM 0 H ARG A 12 3.683 -12.860 26.856 1.00 0.00 H new ATOM 0 HA ARG A 12 2.718 -11.643 29.210 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.407 -12.038 27.104 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.456 -13.764 27.403 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.679 -12.890 28.256 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.298 -13.392 29.622 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.750 -11.180 30.302 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.583 -10.531 28.682 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.976 -11.499 29.350 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.408 -9.235 30.570 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.791 -8.148 31.279 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.514 -10.094 30.264 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.994 -8.631 31.107 1.00 0.00 H new ATOM 201 N ALA A 13 3.209 -14.905 29.319 1.00 0.00 N ATOM 202 CA ALA A 13 3.334 -16.038 30.227 1.00 0.00 C ATOM 203 C ALA A 13 4.671 -15.979 30.951 1.00 0.00 C ATOM 204 O ALA A 13 4.762 -16.284 32.139 1.00 0.00 O ATOM 205 CB ALA A 13 3.228 -17.349 29.446 1.00 0.00 C ATOM 0 H ALA A 13 3.431 -15.113 28.346 1.00 0.00 H new ATOM 0 HA ALA A 13 2.528 -15.993 30.960 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.323 -18.190 30.133 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.261 -17.397 28.945 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.025 -17.396 28.703 1.00 0.00 H new ATOM 211 N SER A 14 5.707 -15.578 30.224 1.00 0.00 N ATOM 212 CA SER A 14 7.042 -15.473 30.797 1.00 0.00 C ATOM 213 C SER A 14 7.192 -14.159 31.551 1.00 0.00 C ATOM 214 O SER A 14 8.213 -13.918 32.193 1.00 0.00 O ATOM 215 CB SER A 14 8.095 -15.555 29.691 1.00 0.00 C ATOM 216 OG SER A 14 7.801 -16.658 28.844 1.00 0.00 O ATOM 0 H SER A 14 5.648 -15.321 29.239 1.00 0.00 H new ATOM 0 HA SER A 14 7.187 -16.299 31.493 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.105 -14.631 29.113 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.088 -15.670 30.126 1.00 0.00 H new ATOM 0 HG SER A 14 7.236 -16.359 28.101 1.00 0.00 H new ATOM 222 N VAL A 15 6.167 -13.317 31.465 1.00 0.00 N ATOM 223 CA VAL A 15 6.185 -12.025 32.139 1.00 0.00 C ATOM 224 C VAL A 15 7.398 -11.207 31.710 1.00 0.00 C ATOM 225 O VAL A 15 7.281 -10.278 30.913 1.00 0.00 O ATOM 226 CB VAL A 15 6.218 -12.226 33.653 1.00 0.00 C ATOM 227 CG1 VAL A 15 6.228 -10.863 34.348 1.00 0.00 C ATOM 228 CG2 VAL A 15 4.980 -13.013 34.089 1.00 0.00 C ATOM 0 H VAL A 15 5.316 -13.506 30.936 1.00 0.00 H new ATOM 0 HA VAL A 15 5.281 -11.484 31.861 1.00 0.00 H new ATOM 0 HB VAL A 15 7.116 -12.780 33.928 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.252 -11.006 35.428 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.109 -10.302 34.037 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.330 -10.309 34.075 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.002 -13.157 35.169 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.082 -12.459 33.815 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.973 -13.984 33.593 1.00 0.00 H new ATOM 238 N ILE A 16 8.561 -11.555 32.246 1.00 0.00 N ATOM 239 CA ILE A 16 9.792 -10.843 31.916 1.00 0.00 C ATOM 240 C ILE A 16 10.464 -11.469 30.697 1.00 0.00 C ATOM 241 O ILE A 16 10.615 -12.688 30.615 1.00 0.00 O ATOM 242 CB ILE A 16 10.745 -10.886 33.109 1.00 0.00 C ATOM 243 CG1 ILE A 16 11.956 -9.993 32.829 1.00 0.00 C ATOM 244 CG2 ILE A 16 11.212 -12.324 33.339 1.00 0.00 C ATOM 245 CD1 ILE A 16 12.765 -9.820 34.114 1.00 0.00 C ATOM 0 H ILE A 16 8.679 -12.322 32.908 1.00 0.00 H new ATOM 0 HA ILE A 16 9.545 -9.807 31.683 1.00 0.00 H new ATOM 0 HB ILE A 16 10.228 -10.527 33.999 1.00 0.00 H new ATOM 0 HG12 ILE A 16 12.578 -10.437 32.052 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.628 -9.022 32.459 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.892 -12.354 34.190 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.349 -12.959 33.541 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.728 -12.686 32.450 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.628 -9.184 33.918 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.140 -9.357 34.878 1.00 0.00 H new ATOM 0 HD13 ILE A 16 13.104 -10.795 34.464 1.00 0.00 H new ATOM 257 N GLY A 17 10.859 -10.623 29.749 1.00 0.00 N ATOM 258 CA GLY A 17 11.509 -11.103 28.534 1.00 0.00 C ATOM 259 C GLY A 17 12.840 -11.771 28.857 1.00 0.00 C ATOM 260 O GLY A 17 13.653 -11.225 29.603 1.00 0.00 O ATOM 0 H GLY A 17 10.742 -9.611 29.798 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.857 -11.811 28.023 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.672 -10.270 27.851 1.00 0.00 H new ATOM 264 N LYS A 18 13.056 -12.953 28.290 1.00 0.00 N ATOM 265 CA LYS A 18 14.294 -13.688 28.524 1.00 0.00 C ATOM 266 C LYS A 18 14.359 -14.923 27.632 1.00 0.00 C ATOM 267 O LYS A 18 14.210 -16.051 28.101 1.00 0.00 O ATOM 268 CB LYS A 18 14.376 -14.111 29.986 1.00 0.00 C ATOM 269 CG LYS A 18 15.770 -14.670 30.281 1.00 0.00 C ATOM 270 CD LYS A 18 15.868 -15.063 31.766 1.00 0.00 C ATOM 271 CE LYS A 18 15.388 -16.505 31.949 1.00 0.00 C ATOM 272 NZ LYS A 18 16.368 -17.434 31.318 1.00 0.00 N ATOM 0 H LYS A 18 12.395 -13.420 27.669 1.00 0.00 H new ATOM 0 HA LYS A 18 15.134 -13.036 28.285 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.170 -13.259 30.634 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.618 -14.865 30.200 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.965 -15.538 29.652 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.529 -13.926 30.041 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.897 -14.965 32.111 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.263 -14.388 32.372 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.283 -16.734 33.010 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.405 -16.633 31.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.235 -18.392 31.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.219 -17.449 30.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.335 -17.110 31.523 1.00 0.00 H new ATOM 286 N PRO A 19 14.573 -14.724 26.361 1.00 0.00 N ATOM 287 CA PRO A 19 14.655 -15.841 25.372 1.00 0.00 C ATOM 288 C PRO A 19 15.735 -16.853 25.738 1.00 0.00 C ATOM 289 O PRO A 19 16.918 -16.521 25.789 1.00 0.00 O ATOM 290 CB PRO A 19 14.986 -15.134 24.044 1.00 0.00 C ATOM 291 CG PRO A 19 14.568 -13.711 24.241 1.00 0.00 C ATOM 292 CD PRO A 19 14.763 -13.414 25.725 1.00 0.00 C ATOM 0 HA PRO A 19 13.731 -16.418 25.330 1.00 0.00 H new ATOM 0 HB2 PRO A 19 16.049 -15.204 23.815 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.450 -15.590 23.211 1.00 0.00 H new ATOM 0 HG2 PRO A 19 15.169 -13.040 23.627 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.528 -13.566 23.948 1.00 0.00 H new ATOM 0 HD2 PRO A 19 15.755 -13.009 25.927 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.040 -12.683 26.087 1.00 0.00 H new ATOM 300 N ILE A 20 15.321 -18.089 25.985 1.00 0.00 N ATOM 301 CA ILE A 20 16.262 -19.145 26.343 1.00 0.00 C ATOM 302 C ILE A 20 16.810 -19.818 25.096 1.00 0.00 C ATOM 303 O ILE A 20 16.055 -20.208 24.217 1.00 0.00 O ATOM 304 CB ILE A 20 15.571 -20.182 27.228 1.00 0.00 C ATOM 305 CG1 ILE A 20 14.887 -19.473 28.404 1.00 0.00 C ATOM 306 CG2 ILE A 20 16.616 -21.163 27.772 1.00 0.00 C ATOM 307 CD1 ILE A 20 13.986 -20.465 29.143 1.00 0.00 C ATOM 0 H ILE A 20 14.346 -18.385 25.945 1.00 0.00 H new ATOM 0 HA ILE A 20 17.091 -18.697 26.891 1.00 0.00 H new ATOM 0 HB ILE A 20 14.828 -20.723 26.642 1.00 0.00 H new ATOM 0 HG12 ILE A 20 15.636 -19.069 29.085 1.00 0.00 H new ATOM 0 HG13 ILE A 20 14.298 -18.630 28.042 1.00 0.00 H new ATOM 0 HG21 ILE A 20 16.126 -21.904 28.404 1.00 0.00 H new ATOM 0 HG22 ILE A 20 17.111 -21.665 26.941 1.00 0.00 H new ATOM 0 HG23 ILE A 20 17.356 -20.618 28.359 1.00 0.00 H new ATOM 0 HD11 ILE A 20 13.500 -19.962 29.979 1.00 0.00 H new ATOM 0 HD12 ILE A 20 13.228 -20.848 28.459 1.00 0.00 H new ATOM 0 HD13 ILE A 20 14.587 -21.293 29.518 1.00 0.00 H new ATOM 319 N GLY A 21 18.130 -19.958 25.028 1.00 0.00 N ATOM 320 CA GLY A 21 18.760 -20.600 23.877 1.00 0.00 C ATOM 321 C GLY A 21 18.822 -22.108 24.070 1.00 0.00 C ATOM 322 O GLY A 21 19.602 -22.605 24.882 1.00 0.00 O ATOM 0 H GLY A 21 18.779 -19.640 25.747 1.00 0.00 H new ATOM 0 HA2 GLY A 21 18.199 -20.367 22.972 1.00 0.00 H new ATOM 0 HA3 GLY A 21 19.766 -20.204 23.739 1.00 0.00 H new ATOM 326 N GLU A 22 17.999 -22.830 23.313 1.00 0.00 N ATOM 327 CA GLU A 22 17.962 -24.285 23.403 1.00 0.00 C ATOM 328 C GLU A 22 16.942 -24.856 22.424 1.00 0.00 C ATOM 329 O GLU A 22 16.434 -24.146 21.556 1.00 0.00 O ATOM 330 CB GLU A 22 17.593 -24.712 24.828 1.00 0.00 C ATOM 331 CG GLU A 22 16.295 -24.019 25.245 1.00 0.00 C ATOM 332 CD GLU A 22 15.879 -24.488 26.636 1.00 0.00 C ATOM 333 OE1 GLU A 22 16.498 -25.411 27.137 1.00 0.00 O ATOM 334 OE2 GLU A 22 14.947 -23.917 27.179 1.00 0.00 O ATOM 0 H GLU A 22 17.351 -22.432 22.633 1.00 0.00 H new ATOM 0 HA GLU A 22 18.950 -24.670 23.151 1.00 0.00 H new ATOM 0 HB2 GLU A 22 17.472 -25.794 24.875 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.396 -24.450 25.517 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.433 -22.938 25.243 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.507 -24.241 24.526 1.00 0.00 H new ATOM 341 N SER A 23 16.644 -26.143 22.571 1.00 0.00 N ATOM 342 CA SER A 23 15.679 -26.798 21.696 1.00 0.00 C ATOM 343 C SER A 23 14.277 -26.248 21.942 1.00 0.00 C ATOM 344 O SER A 23 13.473 -26.141 21.017 1.00 0.00 O ATOM 345 CB SER A 23 15.687 -28.306 21.942 1.00 0.00 C ATOM 346 OG SER A 23 15.363 -28.562 23.302 1.00 0.00 O ATOM 0 H SER A 23 17.053 -26.749 23.282 1.00 0.00 H new ATOM 0 HA SER A 23 15.961 -26.599 20.662 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.968 -28.797 21.286 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.668 -28.719 21.706 1.00 0.00 H new ATOM 0 HG SER A 23 15.366 -29.529 23.463 1.00 0.00 H new ATOM 352 N TYR A 24 13.991 -25.901 23.193 1.00 0.00 N ATOM 353 CA TYR A 24 12.681 -25.366 23.541 1.00 0.00 C ATOM 354 C TYR A 24 12.403 -24.097 22.749 1.00 0.00 C ATOM 355 O TYR A 24 11.253 -23.687 22.596 1.00 0.00 O ATOM 356 CB TYR A 24 12.617 -25.060 25.039 1.00 0.00 C ATOM 357 CG TYR A 24 11.218 -24.624 25.404 1.00 0.00 C ATOM 358 CD1 TYR A 24 10.819 -23.300 25.181 1.00 0.00 C ATOM 359 CD2 TYR A 24 10.323 -25.539 25.970 1.00 0.00 C ATOM 360 CE1 TYR A 24 9.523 -22.894 25.521 1.00 0.00 C ATOM 361 CE2 TYR A 24 9.027 -25.133 26.310 1.00 0.00 C ATOM 362 CZ TYR A 24 8.627 -23.810 26.086 1.00 0.00 C ATOM 363 OH TYR A 24 7.350 -23.409 26.421 1.00 0.00 O ATOM 0 H TYR A 24 14.642 -25.980 23.975 1.00 0.00 H new ATOM 0 HA TYR A 24 11.926 -26.113 23.295 1.00 0.00 H new ATOM 0 HB2 TYR A 24 12.896 -25.943 25.614 1.00 0.00 H new ATOM 0 HB3 TYR A 24 13.331 -24.276 25.292 1.00 0.00 H new ATOM 0 HD1 TYR A 24 11.511 -22.593 24.747 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.632 -26.559 26.145 1.00 0.00 H new ATOM 0 HE1 TYR A 24 9.214 -21.874 25.347 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.336 -25.840 26.745 1.00 0.00 H new ATOM 0 HH TYR A 24 6.858 -24.167 26.800 1.00 0.00 H new ATOM 373 N LYS A 25 13.464 -23.475 22.243 1.00 0.00 N ATOM 374 CA LYS A 25 13.319 -22.252 21.460 1.00 0.00 C ATOM 375 C LYS A 25 13.052 -22.594 19.997 1.00 0.00 C ATOM 376 O LYS A 25 12.679 -21.735 19.201 1.00 0.00 O ATOM 377 CB LYS A 25 14.593 -21.409 21.570 1.00 0.00 C ATOM 378 CG LYS A 25 14.372 -20.051 20.901 1.00 0.00 C ATOM 379 CD LYS A 25 15.589 -19.157 21.136 1.00 0.00 C ATOM 380 CE LYS A 25 15.353 -17.788 20.495 1.00 0.00 C ATOM 381 NZ LYS A 25 15.298 -17.934 19.014 1.00 0.00 N ATOM 0 H LYS A 25 14.426 -23.794 22.360 1.00 0.00 H new ATOM 0 HA LYS A 25 12.476 -21.682 21.851 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.859 -21.270 22.618 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.426 -21.928 21.096 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.207 -20.184 19.832 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.477 -19.577 21.305 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.768 -19.043 22.205 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.480 -19.620 20.711 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.421 -17.358 20.863 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.153 -17.102 20.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.427 -17.003 18.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.054 -18.576 18.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.375 -18.325 18.738 1.00 0.00 H new ATOM 395 N ARG A 26 13.235 -23.861 19.652 1.00 0.00 N ATOM 396 CA ARG A 26 13.011 -24.304 18.290 1.00 0.00 C ATOM 397 C ARG A 26 11.552 -24.111 17.896 1.00 0.00 C ATOM 398 O ARG A 26 11.250 -23.673 16.786 1.00 0.00 O ATOM 399 CB ARG A 26 13.392 -25.779 18.152 1.00 0.00 C ATOM 400 CG ARG A 26 13.217 -26.231 16.681 1.00 0.00 C ATOM 401 CD ARG A 26 11.923 -27.037 16.535 1.00 0.00 C ATOM 402 NE ARG A 26 11.989 -28.235 17.365 1.00 0.00 N ATOM 403 CZ ARG A 26 12.602 -29.331 16.939 1.00 0.00 C ATOM 404 NH1 ARG A 26 13.165 -29.348 15.762 1.00 0.00 N ATOM 405 NH2 ARG A 26 12.643 -30.392 17.698 1.00 0.00 N ATOM 0 H ARG A 26 13.536 -24.594 20.295 1.00 0.00 H new ATOM 0 HA ARG A 26 13.634 -23.706 17.626 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.425 -25.928 18.467 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.768 -26.388 18.806 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.190 -25.361 16.025 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.070 -26.836 16.373 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.069 -26.427 16.829 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.773 -27.314 15.492 1.00 0.00 H new ATOM 0 HE ARG A 26 11.556 -28.229 18.289 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.134 -28.518 15.170 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.637 -30.191 15.434 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.204 -30.378 18.618 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.114 -31.235 17.371 1.00 0.00 H new ATOM 419 N ILE A 27 10.654 -24.443 18.814 1.00 0.00 N ATOM 420 CA ILE A 27 9.230 -24.299 18.561 1.00 0.00 C ATOM 421 C ILE A 27 8.860 -22.824 18.443 1.00 0.00 C ATOM 422 O ILE A 27 7.998 -22.440 17.655 1.00 0.00 O ATOM 423 CB ILE A 27 8.421 -24.955 19.682 1.00 0.00 C ATOM 424 CG1 ILE A 27 9.015 -24.549 21.032 1.00 0.00 C ATOM 425 CG2 ILE A 27 8.478 -26.477 19.537 1.00 0.00 C ATOM 426 CD1 ILE A 27 8.080 -24.986 22.156 1.00 0.00 C ATOM 0 H ILE A 27 10.887 -24.812 19.736 1.00 0.00 H new ATOM 0 HA ILE A 27 8.994 -24.797 17.621 1.00 0.00 H new ATOM 0 HB ILE A 27 7.383 -24.628 19.622 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.995 -25.008 21.162 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.161 -23.469 21.066 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.901 -26.941 20.337 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.060 -26.767 18.573 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.514 -26.810 19.598 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.505 -24.696 23.117 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.109 -24.506 22.029 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.956 -26.069 22.126 1.00 0.00 H new ATOM 438 N LEU A 28 9.514 -22.004 19.250 1.00 0.00 N ATOM 439 CA LEU A 28 9.264 -20.568 19.242 1.00 0.00 C ATOM 440 C LEU A 28 10.038 -19.900 18.113 1.00 0.00 C ATOM 441 O LEU A 28 9.677 -18.817 17.655 1.00 0.00 O ATOM 442 CB LEU A 28 9.684 -19.963 20.586 1.00 0.00 C ATOM 443 CG LEU A 28 8.618 -20.280 21.653 1.00 0.00 C ATOM 444 CD1 LEU A 28 9.258 -20.249 23.042 1.00 0.00 C ATOM 445 CD2 LEU A 28 7.494 -19.236 21.590 1.00 0.00 C ATOM 0 H LEU A 28 10.222 -22.306 19.919 1.00 0.00 H new ATOM 0 HA LEU A 28 8.199 -20.398 19.084 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.650 -20.366 20.892 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.805 -18.884 20.488 1.00 0.00 H new ATOM 0 HG LEU A 28 8.205 -21.270 21.462 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.503 -20.473 23.796 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.053 -20.992 23.093 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.674 -19.259 23.229 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.743 -19.464 22.346 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.907 -18.245 21.777 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.033 -19.257 20.603 1.00 0.00 H new ATOM 457 N ALA A 29 11.111 -20.546 17.679 1.00 0.00 N ATOM 458 CA ALA A 29 11.934 -19.999 16.608 1.00 0.00 C ATOM 459 C ALA A 29 11.167 -19.997 15.290 1.00 0.00 C ATOM 460 O ALA A 29 11.247 -19.041 14.516 1.00 0.00 O ATOM 461 CB ALA A 29 13.207 -20.829 16.453 1.00 0.00 C ATOM 0 H ALA A 29 11.431 -21.442 18.048 1.00 0.00 H new ATOM 0 HA ALA A 29 12.196 -18.973 16.866 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.817 -20.414 15.651 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.771 -20.808 17.385 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.943 -21.859 16.212 1.00 0.00 H new ATOM 467 N LYS A 30 10.425 -21.069 15.040 1.00 0.00 N ATOM 468 CA LYS A 30 9.649 -21.177 13.813 1.00 0.00 C ATOM 469 C LYS A 30 8.489 -20.195 13.830 1.00 0.00 C ATOM 470 O LYS A 30 7.914 -19.880 12.789 1.00 0.00 O ATOM 471 CB LYS A 30 9.120 -22.604 13.644 1.00 0.00 C ATOM 472 CG LYS A 30 8.304 -22.999 14.878 1.00 0.00 C ATOM 473 CD LYS A 30 7.526 -24.284 14.593 1.00 0.00 C ATOM 474 CE LYS A 30 6.521 -24.531 15.720 1.00 0.00 C ATOM 475 NZ LYS A 30 5.338 -23.644 15.532 1.00 0.00 N ATOM 0 H LYS A 30 10.345 -21.870 15.666 1.00 0.00 H new ATOM 0 HA LYS A 30 10.300 -20.938 12.972 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.500 -22.669 12.750 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.950 -23.297 13.508 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.966 -23.145 15.732 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.615 -22.197 15.142 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.006 -24.203 13.639 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.212 -25.127 14.512 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.209 -25.576 15.722 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.986 -24.335 16.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.866 -23.496 16.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.648 -22.728 15.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.673 -24.088 14.867 1.00 0.00 H new ATOM 489 N LEU A 31 8.138 -19.728 15.020 1.00 0.00 N ATOM 490 CA LEU A 31 7.027 -18.805 15.160 1.00 0.00 C ATOM 491 C LEU A 31 7.181 -17.650 14.178 1.00 0.00 C ATOM 492 O LEU A 31 6.206 -17.200 13.574 1.00 0.00 O ATOM 493 CB LEU A 31 6.983 -18.262 16.606 1.00 0.00 C ATOM 494 CG LEU A 31 5.531 -17.989 17.018 1.00 0.00 C ATOM 495 CD1 LEU A 31 4.874 -17.042 16.003 1.00 0.00 C ATOM 496 CD2 LEU A 31 4.749 -19.328 17.072 1.00 0.00 C ATOM 0 H LEU A 31 8.604 -19.972 15.894 1.00 0.00 H new ATOM 0 HA LEU A 31 6.097 -19.330 14.944 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.434 -18.983 17.288 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.569 -17.346 16.677 1.00 0.00 H new ATOM 0 HG LEU A 31 5.515 -17.522 18.003 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.843 -16.850 16.299 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.424 -16.101 15.974 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.888 -17.501 15.015 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.717 -19.135 17.365 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.765 -19.799 16.089 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.215 -19.992 17.800 1.00 0.00 H new ATOM 508 N GLN A 32 8.405 -17.181 14.023 1.00 0.00 N ATOM 509 CA GLN A 32 8.677 -16.084 13.107 1.00 0.00 C ATOM 510 C GLN A 32 8.242 -16.465 11.696 1.00 0.00 C ATOM 511 O GLN A 32 7.698 -15.642 10.959 1.00 0.00 O ATOM 512 CB GLN A 32 10.171 -15.756 13.116 1.00 0.00 C ATOM 513 CG GLN A 32 10.438 -14.560 12.202 1.00 0.00 C ATOM 514 CD GLN A 32 11.891 -14.118 12.333 1.00 0.00 C ATOM 515 OE1 GLN A 32 12.574 -14.502 13.282 1.00 0.00 O ATOM 516 NE2 GLN A 32 12.407 -13.327 11.433 1.00 0.00 N ATOM 0 H GLN A 32 9.224 -17.538 14.515 1.00 0.00 H new ATOM 0 HA GLN A 32 8.116 -15.207 13.429 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.498 -15.531 14.131 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.745 -16.619 12.780 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.222 -14.827 11.167 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.774 -13.736 12.464 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.839 -13.010 10.647 1.00 0.00 H new ATOM 0 HE22 GLN A 32 13.378 -13.026 11.515 1.00 0.00 H new ATOM 525 N ARG A 33 8.482 -17.720 11.327 1.00 0.00 N ATOM 526 CA ARG A 33 8.102 -18.199 10.002 1.00 0.00 C ATOM 527 C ARG A 33 6.585 -18.174 9.854 1.00 0.00 C ATOM 528 O ARG A 33 6.059 -17.861 8.790 1.00 0.00 O ATOM 529 CB ARG A 33 8.614 -19.624 9.784 1.00 0.00 C ATOM 530 CG ARG A 33 8.334 -20.055 8.340 1.00 0.00 C ATOM 531 CD ARG A 33 8.748 -21.514 8.152 1.00 0.00 C ATOM 532 NE ARG A 33 8.698 -21.871 6.738 1.00 0.00 N ATOM 533 CZ ARG A 33 7.558 -22.232 6.160 1.00 0.00 C ATOM 534 NH1 ARG A 33 6.460 -22.282 6.861 1.00 0.00 N ATOM 535 NH2 ARG A 33 7.539 -22.538 4.891 1.00 0.00 N ATOM 0 H ARG A 33 8.933 -18.417 11.920 1.00 0.00 H new ATOM 0 HA ARG A 33 8.549 -17.543 9.255 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.684 -19.672 9.988 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.126 -20.307 10.479 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.275 -19.935 8.113 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.883 -19.418 7.647 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.756 -21.667 8.538 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.086 -22.165 8.723 1.00 0.00 H new ATOM 0 HE ARG A 33 9.554 -21.843 6.184 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.477 -22.044 7.853 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.584 -22.559 6.418 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.399 -22.500 4.344 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.664 -22.815 4.446 1.00 0.00 H new ATOM 549 N ILE A 34 5.888 -18.538 10.923 1.00 0.00 N ATOM 550 CA ILE A 34 4.431 -18.580 10.898 1.00 0.00 C ATOM 551 C ILE A 34 3.868 -17.193 10.635 1.00 0.00 C ATOM 552 O ILE A 34 2.919 -17.037 9.873 1.00 0.00 O ATOM 553 CB ILE A 34 3.901 -19.096 12.239 1.00 0.00 C ATOM 554 CG1 ILE A 34 4.601 -20.414 12.597 1.00 0.00 C ATOM 555 CG2 ILE A 34 2.394 -19.342 12.136 1.00 0.00 C ATOM 556 CD1 ILE A 34 4.493 -21.403 11.434 1.00 0.00 C ATOM 0 H ILE A 34 6.305 -18.807 11.814 1.00 0.00 H new ATOM 0 HA ILE A 34 4.117 -19.251 10.099 1.00 0.00 H new ATOM 0 HB ILE A 34 4.100 -18.353 13.011 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.650 -20.226 12.828 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.149 -20.843 13.492 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.019 -19.709 13.091 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.890 -18.410 11.882 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.198 -20.083 11.361 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.993 -22.334 11.700 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.443 -21.603 11.223 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.966 -20.977 10.549 1.00 0.00 H new ATOM 568 N HIS A 35 4.451 -16.194 11.280 1.00 0.00 N ATOM 569 CA HIS A 35 3.986 -14.823 11.113 1.00 0.00 C ATOM 570 C HIS A 35 3.966 -14.435 9.640 1.00 0.00 C ATOM 571 O HIS A 35 2.990 -13.864 9.153 1.00 0.00 O ATOM 572 CB HIS A 35 4.913 -13.870 11.874 1.00 0.00 C ATOM 573 CG HIS A 35 4.430 -12.456 11.704 1.00 0.00 C ATOM 574 ND1 HIS A 35 4.606 -11.751 10.524 1.00 0.00 N ATOM 575 CD2 HIS A 35 3.778 -11.600 12.558 1.00 0.00 C ATOM 576 CE1 HIS A 35 4.070 -10.528 10.697 1.00 0.00 C ATOM 577 NE2 HIS A 35 3.552 -10.385 11.919 1.00 0.00 N ATOM 0 H HIS A 35 5.239 -16.303 11.918 1.00 0.00 H new ATOM 0 HA HIS A 35 2.973 -14.752 11.508 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.934 -14.134 12.931 1.00 0.00 H new ATOM 0 HB3 HIS A 35 5.933 -13.964 11.502 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.485 -11.834 13.571 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.060 -9.758 9.940 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.089 -9.561 12.302 1.00 0.00 H new ATOM 585 N ASN A 36 5.046 -14.747 8.934 1.00 0.00 N ATOM 586 CA ASN A 36 5.139 -14.424 7.514 1.00 0.00 C ATOM 587 C ASN A 36 4.485 -15.510 6.669 1.00 0.00 C ATOM 588 O ASN A 36 3.902 -15.227 5.623 1.00 0.00 O ATOM 589 CB ASN A 36 6.608 -14.280 7.112 1.00 0.00 C ATOM 590 CG ASN A 36 7.408 -15.476 7.615 1.00 0.00 C ATOM 591 OD1 ASN A 36 8.201 -15.342 8.548 1.00 0.00 O ATOM 592 ND2 ASN A 36 7.247 -16.643 7.053 1.00 0.00 N ATOM 0 H ASN A 36 5.865 -15.220 9.317 1.00 0.00 H new ATOM 0 HA ASN A 36 4.616 -13.484 7.340 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.691 -14.207 6.028 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.018 -13.359 7.526 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.779 -17.447 7.386 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.590 -16.751 6.281 1.00 0.00 H new ATOM 599 N SER A 37 4.587 -16.755 7.123 1.00 0.00 N ATOM 600 CA SER A 37 4.008 -17.881 6.399 1.00 0.00 C ATOM 601 C SER A 37 2.608 -18.185 6.913 1.00 0.00 C ATOM 602 O SER A 37 2.061 -19.253 6.645 1.00 0.00 O ATOM 603 CB SER A 37 4.898 -19.114 6.560 1.00 0.00 C ATOM 604 OG SER A 37 6.255 -18.746 6.348 1.00 0.00 O ATOM 0 H SER A 37 5.064 -17.009 7.988 1.00 0.00 H new ATOM 0 HA SER A 37 3.941 -17.618 5.343 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.776 -19.537 7.557 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.603 -19.885 5.848 1.00 0.00 H new ATOM 0 HG SER A 37 6.748 -19.510 5.981 1.00 0.00 H new ATOM 610 N ASN A 38 2.039 -17.247 7.664 1.00 0.00 N ATOM 611 CA ASN A 38 0.704 -17.437 8.220 1.00 0.00 C ATOM 612 C ASN A 38 -0.247 -17.964 7.154 1.00 0.00 C ATOM 613 O ASN A 38 -0.454 -17.325 6.123 1.00 0.00 O ATOM 614 CB ASN A 38 0.175 -16.108 8.766 1.00 0.00 C ATOM 615 CG ASN A 38 0.136 -15.066 7.653 1.00 0.00 C ATOM 616 OD1 ASN A 38 -0.923 -14.804 7.082 1.00 0.00 O ATOM 617 ND2 ASN A 38 1.235 -14.453 7.306 1.00 0.00 N ATOM 0 H ASN A 38 2.476 -16.356 7.900 1.00 0.00 H new ATOM 0 HA ASN A 38 0.765 -18.165 9.029 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.824 -16.247 9.180 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.812 -15.760 9.579 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.217 -13.756 6.561 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.112 -14.671 7.780 1.00 0.00 H new ATOM 624 N ILE A 39 -0.820 -19.137 7.409 1.00 0.00 N ATOM 625 CA ILE A 39 -1.747 -19.751 6.463 1.00 0.00 C ATOM 626 C ILE A 39 -1.248 -19.570 5.035 1.00 0.00 C ATOM 627 O ILE A 39 -1.939 -19.000 4.190 1.00 0.00 O ATOM 628 CB ILE A 39 -3.131 -19.119 6.603 1.00 0.00 C ATOM 629 CG1 ILE A 39 -3.502 -19.030 8.080 1.00 0.00 C ATOM 630 CG2 ILE A 39 -4.163 -19.979 5.869 1.00 0.00 C ATOM 631 CD1 ILE A 39 -4.899 -18.422 8.222 1.00 0.00 C ATOM 0 H ILE A 39 -0.660 -19.679 8.258 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.810 -20.816 6.684 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.118 -18.119 6.170 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.478 -20.022 8.532 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.773 -18.420 8.613 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.150 -19.528 5.969 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.899 -20.043 4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.176 -20.980 6.301 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.163 -18.359 9.278 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.907 -17.423 7.786 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.624 -19.050 7.704 1.00 0.00 H new ATOM 643 N LEU A 40 -0.035 -20.047 4.773 1.00 0.00 N ATOM 644 CA LEU A 40 0.558 -19.924 3.445 1.00 0.00 C ATOM 645 C LEU A 40 0.534 -21.265 2.723 1.00 0.00 C ATOM 646 O LEU A 40 0.723 -22.314 3.336 1.00 0.00 O ATOM 647 CB LEU A 40 2.005 -19.429 3.561 1.00 0.00 C ATOM 648 CG LEU A 40 2.561 -19.129 2.159 1.00 0.00 C ATOM 649 CD1 LEU A 40 1.782 -17.964 1.521 1.00 0.00 C ATOM 650 CD2 LEU A 40 4.041 -18.761 2.271 1.00 0.00 C ATOM 0 H LEU A 40 0.554 -20.520 5.458 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.026 -19.204 2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.045 -18.532 4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.620 -20.183 4.053 1.00 0.00 H new ATOM 0 HG LEU A 40 2.450 -20.013 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.183 -17.759 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.729 -18.232 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.882 -17.075 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.439 -18.548 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.150 -17.880 2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.591 -19.593 2.711 1.00 0.00 H new ATOM 662 N ASP A 41 0.306 -21.220 1.413 1.00 0.00 N ATOM 663 CA ASP A 41 0.262 -22.438 0.615 1.00 0.00 C ATOM 664 C ASP A 41 1.435 -23.348 0.960 1.00 0.00 C ATOM 665 O ASP A 41 1.301 -24.569 0.971 1.00 0.00 O ATOM 666 CB ASP A 41 0.304 -22.090 -0.874 1.00 0.00 C ATOM 667 CG ASP A 41 -1.004 -21.424 -1.293 1.00 0.00 C ATOM 668 OD1 ASP A 41 -1.963 -21.524 -0.546 1.00 0.00 O ATOM 669 OD2 ASP A 41 -1.027 -20.826 -2.356 1.00 0.00 O ATOM 0 H ASP A 41 0.150 -20.360 0.887 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.667 -22.962 0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.142 -21.423 -1.076 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.466 -22.993 -1.462 1.00 0.00 H new ATOM 674 N GLU A 42 2.583 -22.745 1.238 1.00 0.00 N ATOM 675 CA GLU A 42 3.773 -23.512 1.586 1.00 0.00 C ATOM 676 C GLU A 42 3.662 -24.070 3.001 1.00 0.00 C ATOM 677 O GLU A 42 4.092 -25.191 3.274 1.00 0.00 O ATOM 678 CB GLU A 42 5.014 -22.628 1.479 1.00 0.00 C ATOM 679 CG GLU A 42 6.267 -23.470 1.735 1.00 0.00 C ATOM 680 CD GLU A 42 7.517 -22.616 1.559 1.00 0.00 C ATOM 681 OE1 GLU A 42 7.404 -21.546 0.984 1.00 0.00 O ATOM 682 OE2 GLU A 42 8.570 -23.043 2.004 1.00 0.00 O ATOM 0 H GLU A 42 2.716 -21.734 1.230 1.00 0.00 H new ATOM 0 HA GLU A 42 3.859 -24.345 0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.065 -22.173 0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.957 -21.814 2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.238 -23.882 2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.294 -24.314 1.046 1.00 0.00 H new ATOM 689 N ARG A 43 3.090 -23.276 3.900 1.00 0.00 N ATOM 690 CA ARG A 43 2.931 -23.697 5.284 1.00 0.00 C ATOM 691 C ARG A 43 1.905 -24.816 5.391 1.00 0.00 C ATOM 692 O ARG A 43 1.939 -25.609 6.330 1.00 0.00 O ATOM 693 CB ARG A 43 2.504 -22.505 6.150 1.00 0.00 C ATOM 694 CG ARG A 43 2.137 -22.992 7.555 1.00 0.00 C ATOM 695 CD ARG A 43 1.894 -21.793 8.466 1.00 0.00 C ATOM 696 NE ARG A 43 1.165 -22.211 9.659 1.00 0.00 N ATOM 697 CZ ARG A 43 1.704 -23.040 10.545 1.00 0.00 C ATOM 698 NH1 ARG A 43 2.911 -23.500 10.359 1.00 0.00 N ATOM 699 NH2 ARG A 43 1.031 -23.389 11.606 1.00 0.00 N ATOM 0 H ARG A 43 2.731 -22.343 3.695 1.00 0.00 H new ATOM 0 HA ARG A 43 3.889 -24.073 5.643 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.313 -21.777 6.207 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.652 -22.000 5.696 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.244 -23.616 7.513 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.939 -23.610 7.957 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.845 -21.343 8.750 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.327 -21.030 7.933 1.00 0.00 H new ATOM 0 HE ARG A 43 0.221 -21.859 9.816 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.441 -23.223 9.533 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.325 -24.137 11.040 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.090 -23.025 11.756 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.446 -24.026 12.286 1.00 0.00 H new ATOM 713 N GLN A 44 0.984 -24.866 4.438 1.00 0.00 N ATOM 714 CA GLN A 44 -0.058 -25.887 4.453 1.00 0.00 C ATOM 715 C GLN A 44 0.531 -27.245 4.825 1.00 0.00 C ATOM 716 O GLN A 44 -0.086 -28.017 5.559 1.00 0.00 O ATOM 717 CB GLN A 44 -0.726 -25.974 3.081 1.00 0.00 C ATOM 718 CG GLN A 44 -1.634 -24.761 2.873 1.00 0.00 C ATOM 719 CD GLN A 44 -2.317 -24.847 1.511 1.00 0.00 C ATOM 720 OE1 GLN A 44 -3.301 -24.151 1.264 1.00 0.00 O ATOM 721 NE2 GLN A 44 -1.850 -25.664 0.607 1.00 0.00 N ATOM 0 H GLN A 44 0.936 -24.219 3.651 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.803 -25.610 5.199 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.032 -26.012 2.298 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.307 -26.893 3.006 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.384 -24.718 3.663 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.049 -23.843 2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.034 -26.240 0.813 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.301 -25.726 -0.306 1.00 0.00 H new ATOM 730 N GLY A 45 1.732 -27.517 4.330 1.00 0.00 N ATOM 731 CA GLY A 45 2.403 -28.775 4.628 1.00 0.00 C ATOM 732 C GLY A 45 2.945 -28.770 6.050 1.00 0.00 C ATOM 733 O GLY A 45 2.841 -29.763 6.772 1.00 0.00 O ATOM 0 H GLY A 45 2.258 -26.887 3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.706 -29.604 4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.219 -28.934 3.923 1.00 0.00 H new ATOM 737 N LEU A 46 3.529 -27.648 6.448 1.00 0.00 N ATOM 738 CA LEU A 46 4.083 -27.530 7.784 1.00 0.00 C ATOM 739 C LEU A 46 2.983 -27.620 8.829 1.00 0.00 C ATOM 740 O LEU A 46 3.163 -28.220 9.883 1.00 0.00 O ATOM 741 CB LEU A 46 4.841 -26.184 7.926 1.00 0.00 C ATOM 742 CG LEU A 46 6.262 -26.443 8.456 1.00 0.00 C ATOM 743 CD1 LEU A 46 6.189 -27.219 9.793 1.00 0.00 C ATOM 744 CD2 LEU A 46 7.061 -27.262 7.411 1.00 0.00 C ATOM 0 H LEU A 46 3.630 -26.815 5.868 1.00 0.00 H new ATOM 0 HA LEU A 46 4.780 -28.352 7.944 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.889 -25.679 6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.304 -25.523 8.606 1.00 0.00 H new ATOM 0 HG LEU A 46 6.765 -25.491 8.627 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.198 -27.400 10.164 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.633 -26.632 10.524 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.685 -28.172 9.633 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.068 -27.446 7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.560 -28.214 7.234 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.118 -26.703 6.477 1.00 0.00 H new ATOM 756 N MET A 47 1.857 -26.991 8.539 1.00 0.00 N ATOM 757 CA MET A 47 0.741 -26.980 9.473 1.00 0.00 C ATOM 758 C MET A 47 0.520 -28.368 10.060 1.00 0.00 C ATOM 759 O MET A 47 0.366 -28.522 11.270 1.00 0.00 O ATOM 760 CB MET A 47 -0.530 -26.525 8.750 1.00 0.00 C ATOM 761 CG MET A 47 -1.644 -26.283 9.773 1.00 0.00 C ATOM 762 SD MET A 47 -1.289 -24.766 10.694 1.00 0.00 S ATOM 763 CE MET A 47 -1.645 -23.590 9.363 1.00 0.00 C ATOM 0 H MET A 47 1.690 -26.484 7.670 1.00 0.00 H new ATOM 0 HA MET A 47 0.973 -26.289 10.283 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.334 -25.612 8.188 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.842 -27.282 8.030 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.606 -26.199 9.267 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.716 -27.129 10.457 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.940 -22.633 9.793 1.00 0.00 H new ATOM 0 HE2 MET A 47 -0.754 -23.454 8.750 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.456 -23.975 8.745 1.00 0.00 H new ATOM 773 N HIS A 48 0.505 -29.376 9.195 1.00 0.00 N ATOM 774 CA HIS A 48 0.299 -30.748 9.643 1.00 0.00 C ATOM 775 C HIS A 48 1.457 -31.208 10.521 1.00 0.00 C ATOM 776 O HIS A 48 1.249 -31.821 11.568 1.00 0.00 O ATOM 777 CB HIS A 48 0.169 -31.677 8.435 1.00 0.00 C ATOM 778 CG HIS A 48 -0.192 -33.059 8.905 1.00 0.00 C ATOM 779 ND1 HIS A 48 0.767 -33.982 9.293 1.00 0.00 N ATOM 780 CD2 HIS A 48 -1.402 -33.691 9.052 1.00 0.00 C ATOM 781 CE1 HIS A 48 0.124 -35.108 9.654 1.00 0.00 C ATOM 782 NE2 HIS A 48 -1.200 -34.985 9.525 1.00 0.00 N ATOM 0 H HIS A 48 0.632 -29.271 8.188 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.619 -30.784 10.229 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.595 -31.301 7.754 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.107 -31.703 7.880 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.364 -33.251 8.834 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.618 -36.002 10.005 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.910 -35.688 9.729 1.00 0.00 H new ATOM 790 N GLU A 49 2.674 -30.903 10.092 1.00 0.00 N ATOM 791 CA GLU A 49 3.860 -31.283 10.848 1.00 0.00 C ATOM 792 C GLU A 49 4.003 -30.401 12.080 1.00 0.00 C ATOM 793 O GLU A 49 4.685 -30.755 13.036 1.00 0.00 O ATOM 794 CB GLU A 49 5.107 -31.165 9.971 1.00 0.00 C ATOM 795 CG GLU A 49 5.052 -32.214 8.858 1.00 0.00 C ATOM 796 CD GLU A 49 5.192 -33.612 9.452 1.00 0.00 C ATOM 797 OE1 GLU A 49 5.713 -33.717 10.550 1.00 0.00 O ATOM 798 OE2 GLU A 49 4.782 -34.557 8.797 1.00 0.00 O ATOM 0 H GLU A 49 2.866 -30.396 9.228 1.00 0.00 H new ATOM 0 HA GLU A 49 3.752 -32.319 11.168 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.168 -30.166 9.540 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.003 -31.307 10.575 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.110 -32.133 8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.850 -32.034 8.138 1.00 0.00 H new ATOM 805 N LEU A 50 3.374 -29.238 12.042 1.00 0.00 N ATOM 806 CA LEU A 50 3.466 -28.311 13.148 1.00 0.00 C ATOM 807 C LEU A 50 2.918 -28.950 14.421 1.00 0.00 C ATOM 808 O LEU A 50 3.514 -28.852 15.491 1.00 0.00 O ATOM 809 CB LEU A 50 2.660 -27.033 12.819 1.00 0.00 C ATOM 810 CG LEU A 50 3.272 -25.823 13.546 1.00 0.00 C ATOM 811 CD1 LEU A 50 3.430 -26.136 15.040 1.00 0.00 C ATOM 812 CD2 LEU A 50 4.655 -25.496 12.938 1.00 0.00 C ATOM 0 H LEU A 50 2.799 -28.919 11.262 1.00 0.00 H new ATOM 0 HA LEU A 50 4.513 -28.052 13.307 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.661 -26.860 11.743 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.620 -27.161 13.120 1.00 0.00 H new ATOM 0 HG LEU A 50 2.611 -24.965 13.427 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.864 -25.275 15.548 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.453 -26.357 15.471 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.085 -26.998 15.164 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.086 -24.639 13.455 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.314 -26.357 13.050 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.541 -25.262 11.880 1.00 0.00 H new ATOM 824 N MET A 51 1.778 -29.599 14.297 1.00 0.00 N ATOM 825 CA MET A 51 1.155 -30.246 15.439 1.00 0.00 C ATOM 826 C MET A 51 2.028 -31.385 15.948 1.00 0.00 C ATOM 827 O MET A 51 2.097 -31.636 17.151 1.00 0.00 O ATOM 828 CB MET A 51 -0.227 -30.780 15.051 1.00 0.00 C ATOM 829 CG MET A 51 -0.867 -31.480 16.254 1.00 0.00 C ATOM 830 SD MET A 51 -0.265 -33.186 16.349 1.00 0.00 S ATOM 831 CE MET A 51 -1.813 -33.948 16.885 1.00 0.00 C ATOM 0 H MET A 51 1.264 -29.694 13.421 1.00 0.00 H new ATOM 0 HA MET A 51 1.042 -29.510 16.235 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.863 -29.961 14.714 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.137 -31.477 14.218 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.623 -30.945 17.172 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.953 -31.471 16.159 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.667 -35.021 17.008 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.123 -33.513 17.835 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.584 -33.770 16.136 1.00 0.00 H new ATOM 841 N GLU A 52 2.677 -32.082 15.022 1.00 0.00 N ATOM 842 CA GLU A 52 3.527 -33.208 15.388 1.00 0.00 C ATOM 843 C GLU A 52 4.609 -32.766 16.363 1.00 0.00 C ATOM 844 O GLU A 52 4.774 -33.352 17.429 1.00 0.00 O ATOM 845 CB GLU A 52 4.179 -33.795 14.134 1.00 0.00 C ATOM 846 CG GLU A 52 3.098 -34.356 13.207 1.00 0.00 C ATOM 847 CD GLU A 52 2.410 -35.545 13.866 1.00 0.00 C ATOM 848 OE1 GLU A 52 2.999 -36.119 14.767 1.00 0.00 O ATOM 849 OE2 GLU A 52 1.306 -35.866 13.461 1.00 0.00 O ATOM 0 H GLU A 52 2.632 -31.890 14.021 1.00 0.00 H new ATOM 0 HA GLU A 52 2.909 -33.967 15.868 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.753 -33.026 13.616 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.879 -34.583 14.411 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.365 -33.582 12.980 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.543 -34.662 12.260 1.00 0.00 H new ATOM 856 N LEU A 53 5.344 -31.726 15.991 1.00 0.00 N ATOM 857 CA LEU A 53 6.407 -31.216 16.849 1.00 0.00 C ATOM 858 C LEU A 53 5.852 -30.698 18.160 1.00 0.00 C ATOM 859 O LEU A 53 6.404 -30.973 19.224 1.00 0.00 O ATOM 860 CB LEU A 53 7.161 -30.090 16.118 1.00 0.00 C ATOM 861 CG LEU A 53 8.236 -30.694 15.204 1.00 0.00 C ATOM 862 CD1 LEU A 53 9.373 -31.298 16.058 1.00 0.00 C ATOM 863 CD2 LEU A 53 7.611 -31.790 14.324 1.00 0.00 C ATOM 0 H LEU A 53 5.226 -31.223 15.111 1.00 0.00 H new ATOM 0 HA LEU A 53 7.092 -32.034 17.073 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.463 -29.494 15.530 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.622 -29.418 16.842 1.00 0.00 H new ATOM 0 HG LEU A 53 8.646 -29.910 14.567 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.133 -31.725 15.403 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.821 -30.517 16.672 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.969 -32.079 16.702 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.377 -32.217 13.676 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.195 -32.573 14.958 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.818 -31.358 13.713 1.00 0.00 H new ATOM 875 N ILE A 54 4.765 -29.951 18.079 1.00 0.00 N ATOM 876 CA ILE A 54 4.151 -29.402 19.273 1.00 0.00 C ATOM 877 C ILE A 54 3.642 -30.511 20.176 1.00 0.00 C ATOM 878 O ILE A 54 3.820 -30.460 21.387 1.00 0.00 O ATOM 879 CB ILE A 54 2.992 -28.474 18.892 1.00 0.00 C ATOM 880 CG1 ILE A 54 3.546 -27.222 18.204 1.00 0.00 C ATOM 881 CG2 ILE A 54 2.216 -28.061 20.146 1.00 0.00 C ATOM 882 CD1 ILE A 54 4.467 -26.435 19.159 1.00 0.00 C ATOM 0 H ILE A 54 4.293 -29.713 17.207 1.00 0.00 H new ATOM 0 HA ILE A 54 4.907 -28.832 19.813 1.00 0.00 H new ATOM 0 HB ILE A 54 2.322 -29.002 18.214 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.100 -27.508 17.310 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.723 -26.586 17.879 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.395 -27.402 19.865 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.817 -28.949 20.636 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.883 -27.538 20.831 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.849 -25.550 18.649 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.902 -26.131 20.040 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.301 -27.067 19.463 1.00 0.00 H new ATOM 894 N ASP A 55 2.995 -31.500 19.581 1.00 0.00 N ATOM 895 CA ASP A 55 2.446 -32.605 20.346 1.00 0.00 C ATOM 896 C ASP A 55 3.558 -33.509 20.858 1.00 0.00 C ATOM 897 O ASP A 55 3.589 -33.868 22.031 1.00 0.00 O ATOM 898 CB ASP A 55 1.484 -33.414 19.471 1.00 0.00 C ATOM 899 CG ASP A 55 0.857 -34.538 20.287 1.00 0.00 C ATOM 900 OD1 ASP A 55 1.282 -34.733 21.412 1.00 0.00 O ATOM 901 OD2 ASP A 55 -0.041 -35.186 19.775 1.00 0.00 O ATOM 0 H ASP A 55 2.838 -31.559 18.575 1.00 0.00 H new ATOM 0 HA ASP A 55 1.906 -32.199 21.202 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.705 -32.763 19.075 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.018 -33.829 18.616 1.00 0.00 H new ATOM 906 N LEU A 56 4.463 -33.884 19.964 1.00 0.00 N ATOM 907 CA LEU A 56 5.562 -34.758 20.336 1.00 0.00 C ATOM 908 C LEU A 56 6.479 -34.090 21.349 1.00 0.00 C ATOM 909 O LEU A 56 6.896 -34.711 22.329 1.00 0.00 O ATOM 910 CB LEU A 56 6.371 -35.137 19.088 1.00 0.00 C ATOM 911 CG LEU A 56 5.528 -36.049 18.187 1.00 0.00 C ATOM 912 CD1 LEU A 56 6.213 -36.191 16.823 1.00 0.00 C ATOM 913 CD2 LEU A 56 5.376 -37.439 18.834 1.00 0.00 C ATOM 0 H LEU A 56 4.457 -33.599 18.985 1.00 0.00 H new ATOM 0 HA LEU A 56 5.140 -35.654 20.791 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.661 -34.238 18.544 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.291 -35.645 19.379 1.00 0.00 H new ATOM 0 HG LEU A 56 4.540 -35.608 18.058 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.615 -36.839 16.181 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.308 -35.209 16.360 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.203 -36.626 16.957 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.776 -38.078 18.186 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.361 -37.885 18.973 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.884 -37.338 19.801 1.00 0.00 H new ATOM 925 N TYR A 57 6.797 -32.828 21.100 1.00 0.00 N ATOM 926 CA TYR A 57 7.676 -32.084 21.991 1.00 0.00 C ATOM 927 C TYR A 57 7.025 -31.886 23.356 1.00 0.00 C ATOM 928 O TYR A 57 7.654 -32.097 24.392 1.00 0.00 O ATOM 929 CB TYR A 57 8.009 -30.721 21.380 1.00 0.00 C ATOM 930 CG TYR A 57 9.002 -30.002 22.260 1.00 0.00 C ATOM 931 CD1 TYR A 57 10.361 -30.338 22.197 1.00 0.00 C ATOM 932 CD2 TYR A 57 8.569 -29.001 23.137 1.00 0.00 C ATOM 933 CE1 TYR A 57 11.285 -29.672 23.011 1.00 0.00 C ATOM 934 CE2 TYR A 57 9.493 -28.335 23.950 1.00 0.00 C ATOM 935 CZ TYR A 57 10.851 -28.671 23.887 1.00 0.00 C ATOM 936 OH TYR A 57 11.763 -28.015 24.690 1.00 0.00 O ATOM 0 H TYR A 57 6.462 -32.300 20.294 1.00 0.00 H new ATOM 0 HA TYR A 57 8.593 -32.659 22.122 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.421 -30.850 20.379 1.00 0.00 H new ATOM 0 HB3 TYR A 57 7.102 -30.126 21.276 1.00 0.00 H new ATOM 0 HD1 TYR A 57 10.696 -31.111 21.521 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.522 -28.742 23.186 1.00 0.00 H new ATOM 0 HE1 TYR A 57 12.332 -29.931 22.963 1.00 0.00 H new ATOM 0 HE2 TYR A 57 9.159 -27.562 24.626 1.00 0.00 H new ATOM 0 HH TYR A 57 12.633 -27.986 24.240 1.00 0.00 H new ATOM 946 N GLU A 58 5.763 -31.469 23.344 1.00 0.00 N ATOM 947 CA GLU A 58 5.035 -31.232 24.583 1.00 0.00 C ATOM 948 C GLU A 58 4.856 -32.528 25.363 1.00 0.00 C ATOM 949 O GLU A 58 4.762 -32.521 26.582 1.00 0.00 O ATOM 950 CB GLU A 58 3.668 -30.624 24.281 1.00 0.00 C ATOM 951 CG GLU A 58 3.838 -29.165 23.838 1.00 0.00 C ATOM 952 CD GLU A 58 4.214 -28.297 25.034 1.00 0.00 C ATOM 953 OE1 GLU A 58 3.484 -28.320 26.010 1.00 0.00 O ATOM 954 OE2 GLU A 58 5.227 -27.621 24.955 1.00 0.00 O ATOM 0 H GLU A 58 5.227 -31.289 22.495 1.00 0.00 H new ATOM 0 HA GLU A 58 5.615 -30.537 25.189 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.170 -31.196 23.498 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.033 -30.674 25.166 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.610 -29.097 23.072 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.912 -28.802 23.391 1.00 0.00 H new ATOM 961 N GLU A 59 4.805 -33.637 24.649 1.00 0.00 N ATOM 962 CA GLU A 59 4.640 -34.939 25.282 1.00 0.00 C ATOM 963 C GLU A 59 5.973 -35.452 25.811 1.00 0.00 C ATOM 964 O GLU A 59 6.020 -36.441 26.542 1.00 0.00 O ATOM 965 CB GLU A 59 4.051 -35.942 24.283 1.00 0.00 C ATOM 966 CG GLU A 59 2.548 -35.691 24.130 1.00 0.00 C ATOM 967 CD GLU A 59 1.968 -36.626 23.075 1.00 0.00 C ATOM 968 OE1 GLU A 59 2.729 -37.387 22.502 1.00 0.00 O ATOM 969 OE2 GLU A 59 0.769 -36.566 22.855 1.00 0.00 O ATOM 0 H GLU A 59 4.875 -33.666 23.632 1.00 0.00 H new ATOM 0 HA GLU A 59 3.953 -34.828 26.121 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.547 -35.843 23.317 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.227 -36.961 24.628 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.045 -35.850 25.084 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.371 -34.654 23.845 1.00 0.00 H new ATOM 976 N SER A 60 7.063 -34.802 25.400 1.00 0.00 N ATOM 977 CA SER A 60 8.385 -35.251 25.817 1.00 0.00 C ATOM 978 C SER A 60 8.532 -35.188 27.328 1.00 0.00 C ATOM 979 O SER A 60 8.661 -36.219 27.986 1.00 0.00 O ATOM 980 CB SER A 60 9.446 -34.343 25.181 1.00 0.00 C ATOM 981 OG SER A 60 9.309 -34.377 23.769 1.00 0.00 O ATOM 0 H SER A 60 7.056 -33.982 24.793 1.00 0.00 H new ATOM 0 HA SER A 60 8.516 -36.284 25.495 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.332 -33.322 25.544 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.444 -34.674 25.469 1.00 0.00 H new ATOM 0 HG SER A 60 8.371 -34.537 23.535 1.00 0.00 H new ATOM 987 N GLN A 61 8.488 -33.981 27.879 1.00 0.00 N ATOM 988 CA GLN A 61 8.590 -33.789 29.328 1.00 0.00 C ATOM 989 C GLN A 61 7.299 -33.232 29.912 1.00 0.00 C ATOM 990 O GLN A 61 6.813 -33.707 30.937 1.00 0.00 O ATOM 991 CB GLN A 61 9.768 -32.843 29.652 1.00 0.00 C ATOM 992 CG GLN A 61 10.707 -33.498 30.654 1.00 0.00 C ATOM 993 CD GLN A 61 11.816 -32.529 31.027 1.00 0.00 C ATOM 994 OE1 GLN A 61 12.157 -32.402 32.201 1.00 0.00 O ATOM 995 NE2 GLN A 61 12.403 -31.832 30.092 1.00 0.00 N ATOM 0 H GLN A 61 8.382 -33.117 27.347 1.00 0.00 H new ATOM 0 HA GLN A 61 8.768 -34.763 29.783 1.00 0.00 H new ATOM 0 HB2 GLN A 61 10.311 -32.600 28.739 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.390 -31.904 30.057 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.154 -33.793 31.546 1.00 0.00 H new ATOM 0 HG3 GLN A 61 11.133 -34.406 30.228 1.00 0.00 H new ATOM 0 HE21 GLN A 61 12.117 -31.941 29.119 1.00 0.00 H new ATOM 0 HE22 GLN A 61 13.148 -31.179 30.334 1.00 0.00 H new ATOM 1004 N PRO A 62 6.756 -32.223 29.285 1.00 0.00 N ATOM 1005 CA PRO A 62 5.525 -31.559 29.782 1.00 0.00 C ATOM 1006 C PRO A 62 4.275 -32.072 29.083 1.00 0.00 C ATOM 1007 O PRO A 62 3.641 -31.374 28.290 1.00 0.00 O ATOM 1008 CB PRO A 62 5.770 -30.075 29.385 1.00 0.00 C ATOM 1009 CG PRO A 62 6.704 -30.119 28.191 1.00 0.00 C ATOM 1010 CD PRO A 62 7.263 -31.552 28.077 1.00 0.00 C ATOM 0 HA PRO A 62 5.358 -31.731 30.845 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.834 -29.578 29.132 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.214 -29.517 30.209 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.172 -29.844 27.280 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.515 -29.402 28.315 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.916 -32.046 27.169 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.353 -31.555 28.045 1.00 0.00 H new ATOM 1018 N SER A 63 3.926 -33.311 29.417 1.00 0.00 N ATOM 1019 CA SER A 63 2.745 -33.935 28.851 1.00 0.00 C ATOM 1020 C SER A 63 1.481 -33.344 29.457 1.00 0.00 C ATOM 1021 O SER A 63 0.512 -33.075 28.750 1.00 0.00 O ATOM 1022 CB SER A 63 2.775 -35.442 29.108 1.00 0.00 C ATOM 1023 OG SER A 63 3.961 -35.990 28.550 1.00 0.00 O ATOM 0 H SER A 63 4.444 -33.896 30.073 1.00 0.00 H new ATOM 0 HA SER A 63 2.742 -33.748 27.777 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.738 -35.641 30.179 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.899 -35.916 28.665 1.00 0.00 H new ATOM 0 HG SER A 63 3.984 -36.956 28.714 1.00 0.00 H new ATOM 1029 N SER A 64 1.495 -33.151 30.776 1.00 0.00 N ATOM 1030 CA SER A 64 0.338 -32.595 31.483 1.00 0.00 C ATOM 1031 C SER A 64 0.708 -31.294 32.175 1.00 0.00 C ATOM 1032 O SER A 64 0.070 -30.897 33.149 1.00 0.00 O ATOM 1033 CB SER A 64 -0.172 -33.603 32.511 1.00 0.00 C ATOM 1034 OG SER A 64 -1.090 -32.957 33.382 1.00 0.00 O ATOM 0 H SER A 64 2.291 -33.370 31.376 1.00 0.00 H new ATOM 0 HA SER A 64 -0.448 -32.389 30.757 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.657 -34.440 32.008 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.662 -34.013 33.081 1.00 0.00 H new ATOM 0 HG SER A 64 -0.643 -32.211 33.833 1.00 0.00 H new ATOM 1040 N GLU A 65 1.753 -30.636 31.682 1.00 0.00 N ATOM 1041 CA GLU A 65 2.205 -29.383 32.280 1.00 0.00 C ATOM 1042 C GLU A 65 1.472 -28.197 31.653 1.00 0.00 C ATOM 1043 O GLU A 65 0.249 -28.208 31.520 1.00 0.00 O ATOM 1044 CB GLU A 65 3.719 -29.227 32.074 1.00 0.00 C ATOM 1045 CG GLU A 65 4.280 -28.253 33.115 1.00 0.00 C ATOM 1046 CD GLU A 65 4.367 -28.943 34.472 1.00 0.00 C ATOM 1047 OE1 GLU A 65 4.120 -30.136 34.527 1.00 0.00 O ATOM 1048 OE2 GLU A 65 4.677 -28.265 35.438 1.00 0.00 O ATOM 0 H GLU A 65 2.299 -30.945 30.878 1.00 0.00 H new ATOM 0 HA GLU A 65 1.985 -29.405 33.347 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.211 -30.196 32.165 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.924 -28.859 31.069 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.267 -27.907 32.808 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.641 -27.373 33.184 1.00 0.00 H new ATOM 1055 N ARG A 66 2.231 -27.180 31.268 1.00 0.00 N ATOM 1056 CA ARG A 66 1.662 -25.991 30.659 1.00 0.00 C ATOM 1057 C ARG A 66 0.942 -26.341 29.370 1.00 0.00 C ATOM 1058 O ARG A 66 0.206 -25.517 28.825 1.00 0.00 O ATOM 1059 CB ARG A 66 2.772 -24.958 30.384 1.00 0.00 C ATOM 1060 CG ARG A 66 2.841 -23.947 31.532 1.00 0.00 C ATOM 1061 CD ARG A 66 3.253 -24.664 32.818 1.00 0.00 C ATOM 1062 NE ARG A 66 3.435 -23.697 33.892 1.00 0.00 N ATOM 1063 CZ ARG A 66 3.351 -24.059 35.168 1.00 0.00 C ATOM 1064 NH1 ARG A 66 3.072 -25.295 35.479 1.00 0.00 N ATOM 1065 NH2 ARG A 66 3.544 -23.177 36.109 1.00 0.00 N ATOM 0 H ARG A 66 3.246 -27.157 31.368 1.00 0.00 H new ATOM 0 HA ARG A 66 0.938 -25.560 31.350 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.732 -25.463 30.275 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.575 -24.441 29.445 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.558 -23.161 31.296 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.872 -23.466 31.666 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.491 -25.392 33.098 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.178 -25.217 32.655 1.00 0.00 H new ATOM 0 HE ARG A 66 3.631 -22.723 33.660 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.918 -25.984 34.743 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.008 -25.572 36.458 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.759 -22.210 35.865 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.480 -23.454 37.089 1.00 0.00 H new ATOM 1079 N LEU A 67 1.167 -27.550 28.874 1.00 0.00 N ATOM 1080 CA LEU A 67 0.534 -27.971 27.634 1.00 0.00 C ATOM 1081 C LEU A 67 -0.921 -27.509 27.600 1.00 0.00 C ATOM 1082 O LEU A 67 -1.485 -27.272 26.534 1.00 0.00 O ATOM 1083 CB LEU A 67 0.590 -29.501 27.508 1.00 0.00 C ATOM 1084 CG LEU A 67 -0.211 -29.951 26.276 1.00 0.00 C ATOM 1085 CD1 LEU A 67 0.325 -29.242 25.024 1.00 0.00 C ATOM 1086 CD2 LEU A 67 -0.076 -31.464 26.109 1.00 0.00 C ATOM 0 H LEU A 67 1.774 -28.247 29.305 1.00 0.00 H new ATOM 0 HA LEU A 67 1.071 -27.520 26.799 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.625 -29.830 27.420 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.183 -29.964 28.407 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.261 -29.693 26.411 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.245 -29.563 24.152 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.225 -28.163 25.146 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.376 -29.496 24.884 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.643 -31.786 25.236 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.974 -31.723 25.975 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.462 -31.964 26.997 1.00 0.00 H new ATOM 1098 N ASN A 68 -1.519 -27.384 28.774 1.00 0.00 N ATOM 1099 CA ASN A 68 -2.904 -26.948 28.863 1.00 0.00 C ATOM 1100 C ASN A 68 -3.049 -25.542 28.293 1.00 0.00 C ATOM 1101 O ASN A 68 -4.004 -25.249 27.573 1.00 0.00 O ATOM 1102 CB ASN A 68 -3.360 -26.960 30.326 1.00 0.00 C ATOM 1103 CG ASN A 68 -3.602 -28.394 30.784 1.00 0.00 C ATOM 1104 OD1 ASN A 68 -4.308 -29.149 30.116 1.00 0.00 O ATOM 1105 ND2 ASN A 68 -3.055 -28.816 31.890 1.00 0.00 N ATOM 0 H ASN A 68 -1.073 -27.576 29.671 1.00 0.00 H new ATOM 0 HA ASN A 68 -3.526 -27.632 28.285 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.604 -26.491 30.955 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.273 -26.375 30.436 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.212 -29.774 32.203 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.470 -28.188 32.442 1.00 0.00 H new ATOM 1112 N ALA A 69 -2.091 -24.677 28.613 1.00 0.00 N ATOM 1113 CA ALA A 69 -2.118 -23.307 28.116 1.00 0.00 C ATOM 1114 C ALA A 69 -1.764 -23.276 26.634 1.00 0.00 C ATOM 1115 O ALA A 69 -2.379 -22.552 25.851 1.00 0.00 O ATOM 1116 CB ALA A 69 -1.127 -22.446 28.899 1.00 0.00 C ATOM 0 H ALA A 69 -1.293 -24.898 29.209 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.124 -22.908 28.249 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.154 -21.424 28.520 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.397 -22.449 29.955 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.122 -22.850 28.781 1.00 0.00 H new ATOM 1122 N PHE A 70 -0.768 -24.071 26.258 1.00 0.00 N ATOM 1123 CA PHE A 70 -0.336 -24.136 24.869 1.00 0.00 C ATOM 1124 C PHE A 70 -1.351 -24.905 24.037 1.00 0.00 C ATOM 1125 O PHE A 70 -1.374 -24.799 22.811 1.00 0.00 O ATOM 1126 CB PHE A 70 1.031 -24.815 24.771 1.00 0.00 C ATOM 1127 CG PHE A 70 2.093 -23.892 25.322 1.00 0.00 C ATOM 1128 CD1 PHE A 70 2.474 -22.757 24.596 1.00 0.00 C ATOM 1129 CD2 PHE A 70 2.700 -24.171 26.553 1.00 0.00 C ATOM 1130 CE1 PHE A 70 3.460 -21.900 25.101 1.00 0.00 C ATOM 1131 CE2 PHE A 70 3.686 -23.316 27.057 1.00 0.00 C ATOM 1132 CZ PHE A 70 4.066 -22.180 26.332 1.00 0.00 C ATOM 0 H PHE A 70 -0.248 -24.676 26.893 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.257 -23.119 24.484 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.024 -25.752 25.328 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.252 -25.063 23.733 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.007 -22.542 23.646 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.407 -25.046 27.113 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.753 -21.024 24.541 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.154 -23.532 28.006 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.826 -21.520 26.722 1.00 0.00 H new ATOM 1142 N ARG A 71 -2.194 -25.679 24.715 1.00 0.00 N ATOM 1143 CA ARG A 71 -3.212 -26.461 24.028 1.00 0.00 C ATOM 1144 C ARG A 71 -3.951 -25.588 23.024 1.00 0.00 C ATOM 1145 O ARG A 71 -4.506 -26.084 22.044 1.00 0.00 O ATOM 1146 CB ARG A 71 -4.205 -27.034 25.041 1.00 0.00 C ATOM 1147 CG ARG A 71 -5.215 -27.928 24.320 1.00 0.00 C ATOM 1148 CD ARG A 71 -6.177 -28.538 25.339 1.00 0.00 C ATOM 1149 NE ARG A 71 -7.035 -29.524 24.692 1.00 0.00 N ATOM 1150 CZ ARG A 71 -8.060 -29.151 23.932 1.00 0.00 C ATOM 1151 NH1 ARG A 71 -8.324 -27.884 23.768 1.00 0.00 N ATOM 1152 NH2 ARG A 71 -8.804 -30.053 23.352 1.00 0.00 N ATOM 0 H ARG A 71 -2.192 -25.780 25.730 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.727 -27.281 23.499 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.674 -27.607 25.801 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.723 -26.225 25.556 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.770 -27.347 23.583 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.695 -28.717 23.777 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.614 -29.008 26.146 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.786 -27.755 25.790 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.845 -30.517 24.825 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.744 -27.179 24.223 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.111 -27.598 23.185 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.599 -31.044 23.482 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.591 -29.767 22.769 1.00 0.00 H new ATOM 1166 N GLU A 72 -3.943 -24.282 23.269 1.00 0.00 N ATOM 1167 CA GLU A 72 -4.607 -23.348 22.370 1.00 0.00 C ATOM 1168 C GLU A 72 -3.892 -23.333 21.027 1.00 0.00 C ATOM 1169 O GLU A 72 -4.526 -23.297 19.972 1.00 0.00 O ATOM 1170 CB GLU A 72 -4.603 -21.943 22.972 1.00 0.00 C ATOM 1171 CG GLU A 72 -5.500 -21.916 24.212 1.00 0.00 C ATOM 1172 CD GLU A 72 -5.441 -20.541 24.866 1.00 0.00 C ATOM 1173 OE1 GLU A 72 -4.712 -19.699 24.367 1.00 0.00 O ATOM 1174 OE2 GLU A 72 -6.126 -20.348 25.857 1.00 0.00 O ATOM 0 H GLU A 72 -3.489 -23.851 24.074 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.639 -23.668 22.227 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.587 -21.653 23.239 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.958 -21.220 22.237 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.527 -22.152 23.934 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.179 -22.679 24.921 1.00 0.00 H new ATOM 1181 N LEU A 73 -2.566 -23.378 21.076 1.00 0.00 N ATOM 1182 CA LEU A 73 -1.772 -23.382 19.862 1.00 0.00 C ATOM 1183 C LEU A 73 -2.100 -24.612 19.030 1.00 0.00 C ATOM 1184 O LEU A 73 -2.225 -24.532 17.814 1.00 0.00 O ATOM 1185 CB LEU A 73 -0.275 -23.375 20.212 1.00 0.00 C ATOM 1186 CG LEU A 73 0.563 -23.538 18.932 1.00 0.00 C ATOM 1187 CD1 LEU A 73 0.193 -22.439 17.927 1.00 0.00 C ATOM 1188 CD2 LEU A 73 2.047 -23.433 19.281 1.00 0.00 C ATOM 0 H LEU A 73 -2.024 -23.412 21.940 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.007 -22.488 19.285 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.014 -22.442 20.712 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.052 -24.183 20.909 1.00 0.00 H new ATOM 0 HG LEU A 73 0.360 -24.513 18.488 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.789 -22.558 17.022 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.865 -22.515 17.677 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.392 -21.462 18.367 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.643 -23.548 18.376 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.248 -22.459 19.726 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.310 -24.217 19.991 1.00 0.00 H new ATOM 1200 N ARG A 74 -2.233 -25.750 19.698 1.00 0.00 N ATOM 1201 CA ARG A 74 -2.543 -26.995 19.014 1.00 0.00 C ATOM 1202 C ARG A 74 -3.902 -26.891 18.337 1.00 0.00 C ATOM 1203 O ARG A 74 -4.105 -27.413 17.241 1.00 0.00 O ATOM 1204 CB ARG A 74 -2.548 -28.157 20.007 1.00 0.00 C ATOM 1205 CG ARG A 74 -1.118 -28.454 20.460 1.00 0.00 C ATOM 1206 CD ARG A 74 -1.133 -29.584 21.489 1.00 0.00 C ATOM 1207 NE ARG A 74 -1.637 -30.811 20.884 1.00 0.00 N ATOM 1208 CZ ARG A 74 -1.840 -31.901 21.614 1.00 0.00 C ATOM 1209 NH1 ARG A 74 -1.597 -31.880 22.896 1.00 0.00 N ATOM 1210 NH2 ARG A 74 -2.286 -32.992 21.053 1.00 0.00 N ATOM 0 H ARG A 74 -2.131 -25.835 20.709 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.779 -27.179 18.259 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.169 -27.909 20.868 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.984 -29.042 19.544 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.505 -28.736 19.604 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.669 -27.560 20.893 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.127 -29.747 21.875 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.758 -29.305 22.337 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.837 -30.832 19.884 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.252 -31.027 23.336 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.752 -32.717 23.458 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.479 -33.008 20.052 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.441 -33.828 21.616 1.00 0.00 H new ATOM 1224 N THR A 75 -4.829 -26.205 19.000 1.00 0.00 N ATOM 1225 CA THR A 75 -6.166 -26.027 18.455 1.00 0.00 C ATOM 1226 C THR A 75 -6.095 -25.279 17.131 1.00 0.00 C ATOM 1227 O THR A 75 -6.760 -25.644 16.160 1.00 0.00 O ATOM 1228 CB THR A 75 -7.037 -25.259 19.435 1.00 0.00 C ATOM 1229 OG1 THR A 75 -6.930 -25.840 20.728 1.00 0.00 O ATOM 1230 CG2 THR A 75 -8.492 -25.303 18.975 1.00 0.00 C ATOM 0 H THR A 75 -4.678 -25.767 19.909 1.00 0.00 H new ATOM 0 HA THR A 75 -6.607 -27.009 18.287 1.00 0.00 H new ATOM 0 HB THR A 75 -6.702 -24.222 19.475 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.028 -25.691 21.080 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.113 -24.751 19.680 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.575 -24.850 17.987 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.828 -26.339 18.929 1.00 0.00 H new ATOM 1238 N GLN A 76 -5.279 -24.232 17.097 1.00 0.00 N ATOM 1239 CA GLN A 76 -5.125 -23.440 15.884 1.00 0.00 C ATOM 1240 C GLN A 76 -4.728 -24.340 14.722 1.00 0.00 C ATOM 1241 O GLN A 76 -5.239 -24.196 13.612 1.00 0.00 O ATOM 1242 CB GLN A 76 -4.051 -22.358 16.099 1.00 0.00 C ATOM 1243 CG GLN A 76 -4.682 -21.124 16.743 1.00 0.00 C ATOM 1244 CD GLN A 76 -5.349 -21.505 18.059 1.00 0.00 C ATOM 1245 OE1 GLN A 76 -6.335 -22.241 18.067 1.00 0.00 O ATOM 1246 NE2 GLN A 76 -4.865 -21.043 19.179 1.00 0.00 N ATOM 0 H GLN A 76 -4.719 -23.914 17.888 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.075 -22.959 15.651 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.254 -22.744 16.735 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.596 -22.090 15.146 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.919 -20.365 16.919 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.417 -20.687 16.067 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.047 -20.433 19.168 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.304 -21.292 20.065 1.00 0.00 H new ATOM 1255 N LEU A 77 -3.816 -25.268 14.988 1.00 0.00 N ATOM 1256 CA LEU A 77 -3.363 -26.188 13.954 1.00 0.00 C ATOM 1257 C LEU A 77 -4.528 -27.037 13.470 1.00 0.00 C ATOM 1258 O LEU A 77 -4.704 -27.242 12.269 1.00 0.00 O ATOM 1259 CB LEU A 77 -2.267 -27.099 14.513 1.00 0.00 C ATOM 1260 CG LEU A 77 -1.160 -26.248 15.142 1.00 0.00 C ATOM 1261 CD1 LEU A 77 -0.134 -27.158 15.813 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.474 -25.407 14.057 1.00 0.00 C ATOM 0 H LEU A 77 -3.380 -25.402 15.900 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.964 -25.612 13.119 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.687 -27.775 15.258 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.855 -27.719 13.717 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.596 -25.584 15.888 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.653 -26.551 16.260 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.623 -27.747 16.589 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.301 -27.826 15.070 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.313 -24.803 14.508 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.039 -26.067 13.306 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.208 -24.753 13.585 1.00 0.00 H new ATOM 1274 N GLU A 78 -5.329 -27.518 14.413 1.00 0.00 N ATOM 1275 CA GLU A 78 -6.483 -28.334 14.072 1.00 0.00 C ATOM 1276 C GLU A 78 -7.523 -27.496 13.339 1.00 0.00 C ATOM 1277 O GLU A 78 -8.146 -27.958 12.382 1.00 0.00 O ATOM 1278 CB GLU A 78 -7.099 -28.926 15.346 1.00 0.00 C ATOM 1279 CG GLU A 78 -8.030 -30.087 14.981 1.00 0.00 C ATOM 1280 CD GLU A 78 -9.270 -29.558 14.267 1.00 0.00 C ATOM 1281 OE1 GLU A 78 -9.720 -28.481 14.624 1.00 0.00 O ATOM 1282 OE2 GLU A 78 -9.748 -30.234 13.373 1.00 0.00 O ATOM 0 H GLU A 78 -5.201 -27.358 15.412 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.158 -29.145 13.419 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.311 -29.275 16.013 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.654 -28.157 15.883 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.506 -30.796 14.340 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.322 -30.627 15.882 1.00 0.00 H new ATOM 1289 N LYS A 79 -7.701 -26.259 13.788 1.00 0.00 N ATOM 1290 CA LYS A 79 -8.657 -25.360 13.163 1.00 0.00 C ATOM 1291 C LYS A 79 -8.205 -25.014 11.752 1.00 0.00 C ATOM 1292 O LYS A 79 -9.001 -25.014 10.814 1.00 0.00 O ATOM 1293 CB LYS A 79 -8.795 -24.087 13.991 1.00 0.00 C ATOM 1294 CG LYS A 79 -9.891 -23.202 13.388 1.00 0.00 C ATOM 1295 CD LYS A 79 -10.080 -21.949 14.261 1.00 0.00 C ATOM 1296 CE LYS A 79 -11.105 -22.237 15.362 1.00 0.00 C ATOM 1297 NZ LYS A 79 -12.434 -22.502 14.742 1.00 0.00 N ATOM 0 H LYS A 79 -7.197 -25.859 14.579 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.626 -25.857 13.112 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.041 -24.337 15.023 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.847 -23.549 14.010 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.621 -22.913 12.372 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.827 -23.757 13.323 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.128 -21.656 14.704 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.416 -21.114 13.647 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.789 -23.097 15.953 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.172 -21.389 16.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.186 -22.156 15.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.495 -22.011 13.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.550 -23.525 14.594 1.00 0.00 H new ATOM 1311 N ALA A 80 -6.916 -24.721 11.614 1.00 0.00 N ATOM 1312 CA ALA A 80 -6.361 -24.379 10.314 1.00 0.00 C ATOM 1313 C ALA A 80 -6.501 -25.558 9.362 1.00 0.00 C ATOM 1314 O ALA A 80 -6.548 -25.387 8.141 1.00 0.00 O ATOM 1315 CB ALA A 80 -4.886 -23.994 10.450 1.00 0.00 C ATOM 0 H ALA A 80 -6.243 -24.714 12.380 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.911 -23.528 9.913 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.484 -23.741 9.469 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.794 -23.134 11.113 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.328 -24.833 10.865 1.00 0.00 H new ATOM 1321 N LEU A 81 -6.553 -26.757 9.926 1.00 0.00 N ATOM 1322 CA LEU A 81 -6.675 -27.950 9.115 1.00 0.00 C ATOM 1323 C LEU A 81 -7.971 -27.907 8.312 1.00 0.00 C ATOM 1324 O LEU A 81 -7.999 -28.246 7.130 1.00 0.00 O ATOM 1325 CB LEU A 81 -6.664 -29.204 10.020 1.00 0.00 C ATOM 1326 CG LEU A 81 -6.033 -30.383 9.261 1.00 0.00 C ATOM 1327 CD1 LEU A 81 -6.766 -30.594 7.926 1.00 0.00 C ATOM 1328 CD2 LEU A 81 -4.535 -30.086 8.996 1.00 0.00 C ATOM 0 H LEU A 81 -6.513 -26.924 10.931 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.831 -27.996 8.426 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.101 -29.002 10.931 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.681 -29.455 10.322 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.120 -31.288 9.862 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.315 -31.430 7.392 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.817 -30.810 8.118 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.686 -29.691 7.320 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.088 -30.922 8.458 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.444 -29.179 8.398 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.018 -29.948 9.946 1.00 0.00 H new ATOM 1340 N GLY A 82 -9.042 -27.492 8.966 1.00 0.00 N ATOM 1341 CA GLY A 82 -10.336 -27.408 8.305 1.00 0.00 C ATOM 1342 C GLY A 82 -10.332 -26.281 7.282 1.00 0.00 C ATOM 1343 O GLY A 82 -11.350 -25.987 6.659 1.00 0.00 O ATOM 0 H GLY A 82 -9.044 -27.210 9.946 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.564 -28.354 7.814 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.119 -27.236 9.043 1.00 0.00 H new ATOM 1347 N LEU A 83 -9.172 -25.655 7.117 1.00 0.00 N ATOM 1348 CA LEU A 83 -9.032 -24.557 6.167 1.00 0.00 C ATOM 1349 C LEU A 83 -10.034 -23.453 6.471 1.00 0.00 C ATOM 1350 O LEU A 83 -10.142 -22.478 5.728 1.00 0.00 O ATOM 1351 CB LEU A 83 -9.249 -25.072 4.743 1.00 0.00 C ATOM 1352 CG LEU A 83 -8.312 -26.256 4.481 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -8.546 -26.790 3.064 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -6.851 -25.804 4.626 1.00 0.00 C ATOM 0 H LEU A 83 -8.319 -25.887 7.626 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.025 -24.148 6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.286 -25.379 4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.057 -24.276 4.024 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.517 -27.045 5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.879 -27.632 2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.581 -27.118 2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.344 -26.001 2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.188 -26.649 4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.642 -25.013 3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.685 -25.429 5.636 1.00 0.00 H new