USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 949 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 108 HIS : no HD1:sc= -3.37! C(o=-6.1!,f=-5.7!) USER MOD Set 1.2: A 112 SER OG : rot -90:sc= -2.77 USER MOD Set 2.1: A 89 TYR OH : rot 3:sc=0.000507 USER MOD Set 2.2: A 95 TYR OH : rot 177:sc= 1.22 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -57:sc= 0.801 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 16 SER OG : rot 180:sc= -0.232 USER MOD Single : A 19 LYS NZ :NH3+ -126:sc= -0.268 (180deg=-0.353) USER MOD Single : A 20 SER OG : rot 67:sc= 0.492 USER MOD Single : A 28 LYS NZ :NH3+ 155:sc= -0.0788 (180deg=-0.689) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0839 USER MOD Single : A 41 GLN : amide:sc= -0.637 K(o=-0.64,f=-1.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 15:sc= 0.549 USER MOD Single : A 52 SER OG : rot 60:sc= 0.91 USER MOD Single : A 53 SER OG : rot 41:sc= 0.581 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0261 K(o=-0.026,f=-1.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0701 USER MOD Single : A 69 GLN : amide:sc= -0.0384 K(o=-0.038,f=-1.6) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.4!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.255 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 42:sc= 1.1 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN :FLIP amide:sc= -2.17! C(o=-3.2!,f=-2.2!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 152:sc= -0.987 (180deg=-2.64!) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot -15:sc= -0.259 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.885 6.331 -5.422 1.00 0.00 N ATOM 2 CA GLY A 1 31.984 7.769 -5.248 1.00 0.00 C ATOM 3 C GLY A 1 30.986 8.526 -6.101 1.00 0.00 C ATOM 4 O GLY A 1 31.364 9.392 -6.889 1.00 0.00 O ATOM 0 H1 GLY A 1 32.588 5.859 -4.818 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.931 6.014 -5.156 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.065 6.088 -6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.822 8.017 -4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.993 8.094 -5.501 1.00 0.00 H new ATOM 8 N SER A 2 29.707 8.198 -5.945 1.00 0.00 N ATOM 9 CA SER A 2 28.652 8.849 -6.711 1.00 0.00 C ATOM 10 C SER A 2 28.127 10.080 -5.977 1.00 0.00 C ATOM 11 O SER A 2 27.779 10.011 -4.798 1.00 0.00 O ATOM 12 CB SER A 2 27.505 7.871 -6.974 1.00 0.00 C ATOM 13 OG SER A 2 26.479 8.482 -7.738 1.00 0.00 O ATOM 0 H SER A 2 29.377 7.485 -5.295 1.00 0.00 H new ATOM 0 HA SER A 2 29.074 9.168 -7.664 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.883 6.995 -7.502 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.097 7.520 -6.026 1.00 0.00 H new ATOM 0 HG SER A 2 25.759 7.836 -7.894 1.00 0.00 H new ATOM 19 N SER A 3 28.075 11.205 -6.682 1.00 0.00 N ATOM 20 CA SER A 3 27.597 12.452 -6.098 1.00 0.00 C ATOM 21 C SER A 3 26.075 12.531 -6.156 1.00 0.00 C ATOM 22 O SER A 3 25.480 12.483 -7.231 1.00 0.00 O ATOM 23 CB SER A 3 28.209 13.649 -6.827 1.00 0.00 C ATOM 24 OG SER A 3 27.873 14.866 -6.183 1.00 0.00 O ATOM 0 H SER A 3 28.358 11.278 -7.659 1.00 0.00 H new ATOM 0 HA SER A 3 27.905 12.476 -5.053 1.00 0.00 H new ATOM 0 HB2 SER A 3 29.293 13.541 -6.864 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.856 13.670 -7.858 1.00 0.00 H new ATOM 0 HG SER A 3 28.278 15.615 -6.668 1.00 0.00 H new ATOM 30 N GLY A 4 25.450 12.653 -4.988 1.00 0.00 N ATOM 31 CA GLY A 4 24.002 12.736 -4.927 1.00 0.00 C ATOM 32 C GLY A 4 23.497 14.159 -5.060 1.00 0.00 C ATOM 33 O GLY A 4 23.782 14.836 -6.047 1.00 0.00 O ATOM 0 H GLY A 4 25.920 12.696 -4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.572 12.126 -5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.657 12.318 -3.981 1.00 0.00 H new ATOM 37 N SER A 5 22.744 14.614 -4.063 1.00 0.00 N ATOM 38 CA SER A 5 22.194 15.964 -4.076 1.00 0.00 C ATOM 39 C SER A 5 23.262 16.990 -3.710 1.00 0.00 C ATOM 40 O SER A 5 24.070 16.767 -2.808 1.00 0.00 O ATOM 41 CB SER A 5 21.018 16.067 -3.103 1.00 0.00 C ATOM 42 OG SER A 5 19.900 15.333 -3.573 1.00 0.00 O ATOM 0 H SER A 5 22.501 14.067 -3.237 1.00 0.00 H new ATOM 0 HA SER A 5 21.842 16.176 -5.085 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.318 15.692 -2.125 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.741 17.113 -2.972 1.00 0.00 H new ATOM 0 HG SER A 5 19.163 15.414 -2.932 1.00 0.00 H new ATOM 48 N SER A 6 23.260 18.115 -4.418 1.00 0.00 N ATOM 49 CA SER A 6 24.231 19.174 -4.171 1.00 0.00 C ATOM 50 C SER A 6 23.695 20.177 -3.153 1.00 0.00 C ATOM 51 O SER A 6 24.321 20.428 -2.124 1.00 0.00 O ATOM 52 CB SER A 6 24.577 19.892 -5.478 1.00 0.00 C ATOM 53 OG SER A 6 25.464 19.118 -6.265 1.00 0.00 O ATOM 0 H SER A 6 22.597 18.316 -5.167 1.00 0.00 H new ATOM 0 HA SER A 6 25.134 18.718 -3.765 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.665 20.090 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.031 20.858 -5.257 1.00 0.00 H new ATOM 0 HG SER A 6 25.668 19.597 -7.095 1.00 0.00 H new ATOM 59 N GLY A 7 22.531 20.746 -3.450 1.00 0.00 N ATOM 60 CA GLY A 7 21.929 21.715 -2.551 1.00 0.00 C ATOM 61 C GLY A 7 20.592 22.220 -3.055 1.00 0.00 C ATOM 62 O GLY A 7 20.368 22.304 -4.262 1.00 0.00 O ATOM 0 H GLY A 7 21.994 20.554 -4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.796 21.261 -1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.608 22.558 -2.423 1.00 0.00 H new ATOM 66 N GLU A 8 19.700 22.554 -2.128 1.00 0.00 N ATOM 67 CA GLU A 8 18.377 23.051 -2.486 1.00 0.00 C ATOM 68 C GLU A 8 18.157 24.459 -1.939 1.00 0.00 C ATOM 69 O GLU A 8 17.720 25.356 -2.659 1.00 0.00 O ATOM 70 CB GLU A 8 17.293 22.111 -1.953 1.00 0.00 C ATOM 71 CG GLU A 8 17.342 21.917 -0.447 1.00 0.00 C ATOM 72 CD GLU A 8 16.315 20.917 0.047 1.00 0.00 C ATOM 73 OE1 GLU A 8 16.520 19.703 -0.164 1.00 0.00 O ATOM 74 OE2 GLU A 8 15.306 21.348 0.643 1.00 0.00 O ATOM 0 H GLU A 8 19.869 22.489 -1.124 1.00 0.00 H new ATOM 0 HA GLU A 8 18.314 23.088 -3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.315 22.505 -2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 8 17.394 21.141 -2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 8 18.338 21.580 -0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.176 22.876 0.044 1.00 0.00 H new ATOM 81 N THR A 9 18.464 24.644 -0.659 1.00 0.00 N ATOM 82 CA THR A 9 18.300 25.941 -0.014 1.00 0.00 C ATOM 83 C THR A 9 17.024 26.631 -0.483 1.00 0.00 C ATOM 84 O THR A 9 17.009 27.839 -0.712 1.00 0.00 O ATOM 85 CB THR A 9 19.502 26.863 -0.292 1.00 0.00 C ATOM 86 OG1 THR A 9 19.360 28.087 0.438 1.00 0.00 O ATOM 87 CG2 THR A 9 19.619 27.165 -1.779 1.00 0.00 C ATOM 0 H THR A 9 18.828 23.912 -0.049 1.00 0.00 H new ATOM 0 HA THR A 9 18.236 25.755 1.058 1.00 0.00 H new ATOM 0 HB THR A 9 20.408 26.350 0.032 1.00 0.00 H new ATOM 0 HG1 THR A 9 18.513 28.517 0.195 1.00 0.00 H new ATOM 0 HG21 THR A 9 20.475 27.818 -1.951 1.00 0.00 H new ATOM 0 HG22 THR A 9 19.756 26.234 -2.330 1.00 0.00 H new ATOM 0 HG23 THR A 9 18.710 27.660 -2.122 1.00 0.00 H new ATOM 95 N GLY A 10 15.954 25.854 -0.625 1.00 0.00 N ATOM 96 CA GLY A 10 14.688 26.409 -1.066 1.00 0.00 C ATOM 97 C GLY A 10 13.513 25.878 -0.269 1.00 0.00 C ATOM 98 O GLY A 10 13.625 24.859 0.410 1.00 0.00 O ATOM 0 H GLY A 10 15.942 24.851 -0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.721 27.495 -0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.541 26.178 -2.121 1.00 0.00 H new ATOM 102 N GLY A 11 12.382 26.571 -0.352 1.00 0.00 N ATOM 103 CA GLY A 11 11.198 26.149 0.373 1.00 0.00 C ATOM 104 C GLY A 11 10.156 25.523 -0.532 1.00 0.00 C ATOM 105 O GLY A 11 9.226 26.195 -0.976 1.00 0.00 O ATOM 0 H GLY A 11 12.264 27.418 -0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.484 25.432 1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.763 27.008 0.883 1.00 0.00 H new ATOM 109 N GLU A 12 10.312 24.232 -0.808 1.00 0.00 N ATOM 110 CA GLU A 12 9.377 23.516 -1.669 1.00 0.00 C ATOM 111 C GLU A 12 7.993 23.449 -1.031 1.00 0.00 C ATOM 112 O GLU A 12 7.795 23.899 0.097 1.00 0.00 O ATOM 113 CB GLU A 12 9.890 22.103 -1.953 1.00 0.00 C ATOM 114 CG GLU A 12 11.190 22.073 -2.738 1.00 0.00 C ATOM 115 CD GLU A 12 12.387 22.480 -1.900 1.00 0.00 C ATOM 116 OE1 GLU A 12 12.423 22.122 -0.704 1.00 0.00 O ATOM 117 OE2 GLU A 12 13.287 23.157 -2.440 1.00 0.00 O ATOM 0 H GLU A 12 11.076 23.661 -0.448 1.00 0.00 H new ATOM 0 HA GLU A 12 9.298 24.061 -2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.035 21.581 -1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.129 21.554 -2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.350 21.069 -3.130 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.108 22.741 -3.596 1.00 0.00 H new ATOM 124 N ARG A 13 7.038 22.884 -1.763 1.00 0.00 N ATOM 125 CA ARG A 13 5.671 22.758 -1.270 1.00 0.00 C ATOM 126 C ARG A 13 5.599 21.765 -0.115 1.00 0.00 C ATOM 127 O ARG A 13 6.614 21.207 0.301 1.00 0.00 O ATOM 128 CB ARG A 13 4.739 22.314 -2.399 1.00 0.00 C ATOM 129 CG ARG A 13 4.521 23.377 -3.463 1.00 0.00 C ATOM 130 CD ARG A 13 3.668 24.522 -2.940 1.00 0.00 C ATOM 131 NE ARG A 13 2.282 24.116 -2.719 1.00 0.00 N ATOM 132 CZ ARG A 13 1.267 24.971 -2.654 1.00 0.00 C ATOM 133 NH1 ARG A 13 1.482 26.272 -2.794 1.00 0.00 N ATOM 134 NH2 ARG A 13 0.034 24.524 -2.451 1.00 0.00 N ATOM 0 H ARG A 13 7.185 22.506 -2.699 1.00 0.00 H new ATOM 0 HA ARG A 13 5.350 23.734 -0.906 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.151 21.421 -2.869 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.775 22.034 -1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.484 23.762 -3.796 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.038 22.930 -4.332 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.091 24.892 -2.006 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.695 25.348 -3.651 1.00 0.00 H new ATOM 0 HE ARG A 13 2.083 23.122 -2.609 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.428 26.618 -2.952 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.701 26.926 -2.744 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.135 23.524 -2.345 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.745 25.181 -2.401 1.00 0.00 H new ATOM 148 N GLN A 14 4.392 21.549 0.399 1.00 0.00 N ATOM 149 CA GLN A 14 4.188 20.624 1.507 1.00 0.00 C ATOM 150 C GLN A 14 3.376 19.412 1.062 1.00 0.00 C ATOM 151 O GLN A 14 2.149 19.400 1.169 1.00 0.00 O ATOM 152 CB GLN A 14 3.480 21.329 2.665 1.00 0.00 C ATOM 153 CG GLN A 14 4.187 22.592 3.131 1.00 0.00 C ATOM 154 CD GLN A 14 3.765 23.016 4.524 1.00 0.00 C ATOM 155 OE1 GLN A 14 2.588 22.943 4.878 1.00 0.00 O ATOM 156 NE2 GLN A 14 4.726 23.463 5.324 1.00 0.00 N ATOM 0 H GLN A 14 3.541 22.002 0.066 1.00 0.00 H new ATOM 0 HA GLN A 14 5.166 20.280 1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.465 21.582 2.359 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.397 20.638 3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.264 22.427 3.116 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.978 23.400 2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.689 23.507 4.990 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.502 23.763 6.273 1.00 0.00 H new ATOM 165 N LEU A 15 4.068 18.394 0.561 1.00 0.00 N ATOM 166 CA LEU A 15 3.411 17.176 0.099 1.00 0.00 C ATOM 167 C LEU A 15 2.450 16.641 1.156 1.00 0.00 C ATOM 168 O LEU A 15 2.841 16.396 2.297 1.00 0.00 O ATOM 169 CB LEU A 15 4.453 16.111 -0.246 1.00 0.00 C ATOM 170 CG LEU A 15 4.025 14.659 -0.030 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.864 14.303 -0.947 1.00 0.00 C ATOM 172 CD2 LEU A 15 5.197 13.717 -0.261 1.00 0.00 C ATOM 0 H LEU A 15 5.083 18.388 0.464 1.00 0.00 H new ATOM 0 HA LEU A 15 2.838 17.418 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.736 16.234 -1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.346 16.298 0.350 1.00 0.00 H new ATOM 0 HG LEU A 15 3.694 14.548 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.573 13.266 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.018 14.956 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.168 14.431 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.874 12.688 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.559 13.830 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.999 13.956 0.437 1.00 0.00 H new ATOM 184 N SER A 16 1.192 16.460 0.767 1.00 0.00 N ATOM 185 CA SER A 16 0.174 15.955 1.681 1.00 0.00 C ATOM 186 C SER A 16 -0.307 14.573 1.249 1.00 0.00 C ATOM 187 O SER A 16 -0.705 14.356 0.104 1.00 0.00 O ATOM 188 CB SER A 16 -1.009 16.922 1.745 1.00 0.00 C ATOM 189 OG SER A 16 -1.948 16.516 2.726 1.00 0.00 O ATOM 0 H SER A 16 0.853 16.656 -0.175 1.00 0.00 H new ATOM 0 HA SER A 16 0.620 15.872 2.672 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.650 17.926 1.974 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.495 16.972 0.771 1.00 0.00 H new ATOM 0 HG SER A 16 -2.694 17.152 2.748 1.00 0.00 H new ATOM 195 N PRO A 17 -0.270 13.615 2.186 1.00 0.00 N ATOM 196 CA PRO A 17 -0.698 12.237 1.927 1.00 0.00 C ATOM 197 C PRO A 17 -2.207 12.126 1.734 1.00 0.00 C ATOM 198 O PRO A 17 -2.675 11.472 0.802 1.00 0.00 O ATOM 199 CB PRO A 17 -0.264 11.487 3.189 1.00 0.00 C ATOM 200 CG PRO A 17 -0.224 12.529 4.253 1.00 0.00 C ATOM 201 CD PRO A 17 0.193 13.802 3.571 1.00 0.00 C ATOM 0 HA PRO A 17 -0.264 11.841 1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.967 10.692 3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.711 11.019 3.056 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.200 12.641 4.726 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.482 12.258 5.038 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.267 14.675 4.034 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.272 13.948 3.618 1.00 0.00 H new ATOM 209 N GLU A 18 -2.961 12.769 2.619 1.00 0.00 N ATOM 210 CA GLU A 18 -4.417 12.741 2.545 1.00 0.00 C ATOM 211 C GLU A 18 -4.901 13.217 1.178 1.00 0.00 C ATOM 212 O GLU A 18 -5.795 12.619 0.580 1.00 0.00 O ATOM 213 CB GLU A 18 -5.023 13.613 3.646 1.00 0.00 C ATOM 214 CG GLU A 18 -4.412 15.002 3.728 1.00 0.00 C ATOM 215 CD GLU A 18 -5.005 15.836 4.847 1.00 0.00 C ATOM 216 OE1 GLU A 18 -6.249 15.925 4.924 1.00 0.00 O ATOM 217 OE2 GLU A 18 -4.227 16.399 5.644 1.00 0.00 O ATOM 0 H GLU A 18 -2.588 13.316 3.395 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.743 11.711 2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.095 13.707 3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.896 13.112 4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.336 14.913 3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.561 15.517 2.779 1.00 0.00 H new ATOM 224 N LYS A 19 -4.305 14.300 0.691 1.00 0.00 N ATOM 225 CA LYS A 19 -4.673 14.859 -0.605 1.00 0.00 C ATOM 226 C LYS A 19 -4.418 13.853 -1.723 1.00 0.00 C ATOM 227 O LYS A 19 -5.236 13.698 -2.630 1.00 0.00 O ATOM 228 CB LYS A 19 -3.885 16.144 -0.871 1.00 0.00 C ATOM 229 CG LYS A 19 -4.542 17.389 -0.300 1.00 0.00 C ATOM 230 CD LYS A 19 -5.412 18.084 -1.334 1.00 0.00 C ATOM 231 CE LYS A 19 -6.553 17.190 -1.796 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.528 16.926 -0.701 1.00 0.00 N ATOM 0 H LYS A 19 -3.565 14.809 1.174 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.738 15.091 -0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.886 16.043 -0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.762 16.269 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.148 17.118 0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.774 18.077 0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.817 19.003 -0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.802 18.369 -2.191 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.067 17.661 -2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.150 16.245 -2.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.655 15.900 -0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.170 17.330 0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.441 17.364 -0.937 1.00 0.00 H new ATOM 246 N SER A 20 -3.279 13.172 -1.652 1.00 0.00 N ATOM 247 CA SER A 20 -2.916 12.183 -2.660 1.00 0.00 C ATOM 248 C SER A 20 -4.086 11.248 -2.951 1.00 0.00 C ATOM 249 O SER A 20 -4.925 11.000 -2.086 1.00 0.00 O ATOM 250 CB SER A 20 -1.704 11.372 -2.196 1.00 0.00 C ATOM 251 OG SER A 20 -0.551 12.189 -2.098 1.00 0.00 O ATOM 0 H SER A 20 -2.592 13.287 -0.907 1.00 0.00 H new ATOM 0 HA SER A 20 -2.661 12.713 -3.577 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.915 10.918 -1.228 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.518 10.557 -2.896 1.00 0.00 H new ATOM 0 HG SER A 20 -0.670 12.837 -1.373 1.00 0.00 H new ATOM 257 N GLU A 21 -4.135 10.735 -4.176 1.00 0.00 N ATOM 258 CA GLU A 21 -5.203 9.829 -4.582 1.00 0.00 C ATOM 259 C GLU A 21 -4.632 8.551 -5.191 1.00 0.00 C ATOM 260 O GLU A 21 -3.900 8.597 -6.180 1.00 0.00 O ATOM 261 CB GLU A 21 -6.130 10.515 -5.587 1.00 0.00 C ATOM 262 CG GLU A 21 -6.537 11.921 -5.179 1.00 0.00 C ATOM 263 CD GLU A 21 -7.863 12.343 -5.781 1.00 0.00 C ATOM 264 OE1 GLU A 21 -8.808 11.526 -5.769 1.00 0.00 O ATOM 265 OE2 GLU A 21 -7.956 13.491 -6.265 1.00 0.00 O ATOM 0 H GLU A 21 -3.448 10.931 -4.904 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.775 9.563 -3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.634 10.557 -6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.027 9.909 -5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.602 11.975 -4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.762 12.623 -5.487 1.00 0.00 H new ATOM 272 N ILE A 22 -4.970 7.415 -4.592 1.00 0.00 N ATOM 273 CA ILE A 22 -4.491 6.125 -5.074 1.00 0.00 C ATOM 274 C ILE A 22 -5.519 5.463 -5.985 1.00 0.00 C ATOM 275 O ILE A 22 -6.667 5.252 -5.592 1.00 0.00 O ATOM 276 CB ILE A 22 -4.166 5.173 -3.909 1.00 0.00 C ATOM 277 CG1 ILE A 22 -3.087 5.782 -3.010 1.00 0.00 C ATOM 278 CG2 ILE A 22 -3.719 3.819 -4.439 1.00 0.00 C ATOM 279 CD1 ILE A 22 -2.882 5.028 -1.715 1.00 0.00 C ATOM 0 H ILE A 22 -5.574 7.361 -3.772 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.579 6.318 -5.639 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.069 5.028 -3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.144 5.812 -3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.356 6.813 -2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.493 3.157 -3.603 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.516 3.383 -5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.827 3.945 -5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.103 5.516 -1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.812 5.020 -1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.582 4.003 -1.934 1.00 0.00 H new ATOM 291 N TRP A 23 -5.100 5.136 -7.202 1.00 0.00 N ATOM 292 CA TRP A 23 -5.984 4.495 -8.169 1.00 0.00 C ATOM 293 C TRP A 23 -5.455 3.121 -8.563 1.00 0.00 C ATOM 294 O TRP A 23 -4.262 2.845 -8.439 1.00 0.00 O ATOM 295 CB TRP A 23 -6.136 5.373 -9.412 1.00 0.00 C ATOM 296 CG TRP A 23 -4.917 5.385 -10.283 1.00 0.00 C ATOM 297 CD1 TRP A 23 -4.618 4.509 -11.288 1.00 0.00 C ATOM 298 CD2 TRP A 23 -3.831 6.317 -10.225 1.00 0.00 C ATOM 299 NE1 TRP A 23 -3.413 4.841 -11.858 1.00 0.00 N ATOM 300 CE2 TRP A 23 -2.910 5.947 -11.225 1.00 0.00 C ATOM 301 CE3 TRP A 23 -3.549 7.430 -9.428 1.00 0.00 C ATOM 302 CZ2 TRP A 23 -1.729 6.649 -11.445 1.00 0.00 C ATOM 303 CZ3 TRP A 23 -2.375 8.126 -9.648 1.00 0.00 C ATOM 304 CH2 TRP A 23 -1.478 7.734 -10.650 1.00 0.00 C ATOM 0 H TRP A 23 -4.153 5.304 -7.543 1.00 0.00 H new ATOM 0 HA TRP A 23 -6.961 4.367 -7.702 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -6.987 5.021 -9.995 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -6.362 6.393 -9.102 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.238 3.678 -11.590 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.965 4.344 -12.628 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.236 7.741 -8.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.035 6.348 -12.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -2.146 8.986 -9.037 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.570 8.300 -10.798 1.00 0.00 H new ATOM 315 N GLY A 24 -6.350 2.261 -9.040 1.00 0.00 N ATOM 316 CA GLY A 24 -5.953 0.925 -9.445 1.00 0.00 C ATOM 317 C GLY A 24 -7.037 -0.104 -9.193 1.00 0.00 C ATOM 318 O GLY A 24 -7.880 0.055 -8.310 1.00 0.00 O ATOM 0 H GLY A 24 -7.343 2.466 -9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.701 0.930 -10.505 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.051 0.638 -8.904 1.00 0.00 H new ATOM 322 N PRO A 25 -7.024 -1.188 -9.982 1.00 0.00 N ATOM 323 CA PRO A 25 -8.008 -2.268 -9.860 1.00 0.00 C ATOM 324 C PRO A 25 -7.824 -3.077 -8.581 1.00 0.00 C ATOM 325 O PRO A 25 -8.669 -3.899 -8.228 1.00 0.00 O ATOM 326 CB PRO A 25 -7.733 -3.139 -11.088 1.00 0.00 C ATOM 327 CG PRO A 25 -6.306 -2.878 -11.426 1.00 0.00 C ATOM 328 CD PRO A 25 -6.049 -1.443 -11.056 1.00 0.00 C ATOM 0 HA PRO A 25 -9.028 -1.887 -9.811 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.902 -4.194 -10.871 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -8.391 -2.875 -11.916 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.646 -3.547 -10.875 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.119 -3.047 -12.486 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.025 -1.294 -10.713 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.202 -0.776 -11.904 1.00 0.00 H new ATOM 336 N GLY A 26 -6.714 -2.838 -7.889 1.00 0.00 N ATOM 337 CA GLY A 26 -6.441 -3.552 -6.656 1.00 0.00 C ATOM 338 C GLY A 26 -7.546 -3.386 -5.631 1.00 0.00 C ATOM 339 O GLY A 26 -7.581 -4.095 -4.625 1.00 0.00 O ATOM 0 H GLY A 26 -5.999 -2.163 -8.161 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.310 -4.612 -6.875 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.502 -3.195 -6.234 1.00 0.00 H new ATOM 343 N LEU A 27 -8.450 -2.447 -5.886 1.00 0.00 N ATOM 344 CA LEU A 27 -9.561 -2.188 -4.977 1.00 0.00 C ATOM 345 C LEU A 27 -10.889 -2.587 -5.614 1.00 0.00 C ATOM 346 O LEU A 27 -11.846 -1.813 -5.616 1.00 0.00 O ATOM 347 CB LEU A 27 -9.593 -0.709 -4.587 1.00 0.00 C ATOM 348 CG LEU A 27 -8.297 -0.139 -4.011 1.00 0.00 C ATOM 349 CD1 LEU A 27 -8.345 1.381 -3.992 1.00 0.00 C ATOM 350 CD2 LEU A 27 -8.050 -0.684 -2.612 1.00 0.00 C ATOM 0 H LEU A 27 -8.436 -1.852 -6.715 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.413 -2.790 -4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.862 -0.127 -5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.387 -0.564 -3.855 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.470 -0.448 -4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.414 1.769 -3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.474 1.754 -5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.181 1.711 -3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.123 -0.267 -2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.879 -0.405 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.971 -1.770 -2.653 1.00 0.00 H new ATOM 362 N LYS A 28 -10.940 -3.801 -6.151 1.00 0.00 N ATOM 363 CA LYS A 28 -12.151 -4.306 -6.787 1.00 0.00 C ATOM 364 C LYS A 28 -12.541 -5.665 -6.214 1.00 0.00 C ATOM 365 O LYS A 28 -11.814 -6.238 -5.404 1.00 0.00 O ATOM 366 CB LYS A 28 -11.948 -4.418 -8.300 1.00 0.00 C ATOM 367 CG LYS A 28 -12.012 -3.083 -9.023 1.00 0.00 C ATOM 368 CD LYS A 28 -12.535 -3.241 -10.441 1.00 0.00 C ATOM 369 CE LYS A 28 -11.520 -3.938 -11.334 1.00 0.00 C ATOM 370 NZ LYS A 28 -11.652 -5.420 -11.272 1.00 0.00 N ATOM 0 H LYS A 28 -10.156 -4.454 -6.158 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.958 -3.602 -6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.981 -4.881 -8.495 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.708 -5.082 -8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.657 -2.400 -8.471 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.019 -2.634 -9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.462 -3.814 -10.426 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.772 -2.261 -10.854 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.652 -3.604 -12.363 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.513 -3.650 -11.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.282 -5.839 -12.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.112 -5.783 -10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.654 -5.675 -11.163 1.00 0.00 H new ATOM 384 N ALA A 29 -13.691 -6.174 -6.642 1.00 0.00 N ATOM 385 CA ALA A 29 -14.175 -7.467 -6.174 1.00 0.00 C ATOM 386 C ALA A 29 -13.289 -8.601 -6.679 1.00 0.00 C ATOM 387 O ALA A 29 -12.635 -9.287 -5.894 1.00 0.00 O ATOM 388 CB ALA A 29 -15.615 -7.683 -6.617 1.00 0.00 C ATOM 0 H ALA A 29 -14.305 -5.711 -7.312 1.00 0.00 H new ATOM 0 HA ALA A 29 -14.137 -7.469 -5.085 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.964 -8.652 -6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -16.245 -6.896 -6.203 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.669 -7.656 -7.705 1.00 0.00 H new ATOM 394 N ASP A 30 -13.272 -8.791 -7.994 1.00 0.00 N ATOM 395 CA ASP A 30 -12.465 -9.842 -8.603 1.00 0.00 C ATOM 396 C ASP A 30 -11.022 -9.381 -8.788 1.00 0.00 C ATOM 397 O ASP A 30 -10.584 -9.111 -9.906 1.00 0.00 O ATOM 398 CB ASP A 30 -13.059 -10.253 -9.952 1.00 0.00 C ATOM 399 CG ASP A 30 -12.061 -10.990 -10.823 1.00 0.00 C ATOM 400 OD1 ASP A 30 -11.807 -12.183 -10.557 1.00 0.00 O ATOM 401 OD2 ASP A 30 -11.534 -10.373 -11.773 1.00 0.00 O ATOM 0 H ASP A 30 -13.807 -8.232 -8.658 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.470 -10.703 -7.935 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.929 -10.888 -9.784 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.409 -9.365 -10.477 1.00 0.00 H new ATOM 406 N VAL A 31 -10.288 -9.293 -7.683 1.00 0.00 N ATOM 407 CA VAL A 31 -8.895 -8.865 -7.723 1.00 0.00 C ATOM 408 C VAL A 31 -8.034 -9.867 -8.484 1.00 0.00 C ATOM 409 O VAL A 31 -8.540 -10.841 -9.040 1.00 0.00 O ATOM 410 CB VAL A 31 -8.323 -8.684 -6.305 1.00 0.00 C ATOM 411 CG1 VAL A 31 -9.055 -7.571 -5.571 1.00 0.00 C ATOM 412 CG2 VAL A 31 -8.404 -9.990 -5.528 1.00 0.00 C ATOM 0 H VAL A 31 -10.635 -9.512 -6.749 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.873 -7.906 -8.240 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.274 -8.401 -6.389 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.637 -7.458 -4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.940 -6.636 -6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.114 -7.820 -5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.996 -9.844 -4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.445 -10.305 -5.453 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.830 -10.758 -6.046 1.00 0.00 H new ATOM 422 N VAL A 32 -6.728 -9.621 -8.503 1.00 0.00 N ATOM 423 CA VAL A 32 -5.794 -10.503 -9.194 1.00 0.00 C ATOM 424 C VAL A 32 -5.630 -11.822 -8.448 1.00 0.00 C ATOM 425 O VAL A 32 -5.878 -11.903 -7.244 1.00 0.00 O ATOM 426 CB VAL A 32 -4.412 -9.842 -9.355 1.00 0.00 C ATOM 427 CG1 VAL A 32 -4.508 -8.617 -10.253 1.00 0.00 C ATOM 428 CG2 VAL A 32 -3.836 -9.473 -7.996 1.00 0.00 C ATOM 0 H VAL A 32 -6.293 -8.819 -8.048 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.213 -10.697 -10.181 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.739 -10.558 -9.827 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.522 -8.163 -10.355 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.875 -8.914 -11.236 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.196 -7.896 -9.812 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.860 -9.007 -8.129 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.506 -8.775 -7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.729 -10.372 -7.390 1.00 0.00 H new ATOM 438 N LEU A 33 -5.210 -12.855 -9.170 1.00 0.00 N ATOM 439 CA LEU A 33 -5.011 -14.173 -8.576 1.00 0.00 C ATOM 440 C LEU A 33 -3.747 -14.202 -7.724 1.00 0.00 C ATOM 441 O LEU A 33 -3.789 -14.430 -6.515 1.00 0.00 O ATOM 442 CB LEU A 33 -4.927 -15.239 -9.670 1.00 0.00 C ATOM 443 CG LEU A 33 -6.231 -15.967 -9.999 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.148 -15.075 -10.821 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.944 -17.266 -10.740 1.00 0.00 C ATOM 0 H LEU A 33 -5.001 -12.806 -10.167 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.865 -14.387 -7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.557 -14.768 -10.581 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.186 -15.980 -9.371 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.736 -16.208 -9.064 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.071 -15.610 -11.045 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.380 -14.172 -10.256 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.651 -14.802 -11.752 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.883 -17.771 -10.966 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.417 -17.046 -11.669 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.326 -17.912 -10.116 1.00 0.00 H new ATOM 457 N PRO A 34 -2.594 -13.962 -8.367 1.00 0.00 N ATOM 458 CA PRO A 34 -1.296 -13.952 -7.686 1.00 0.00 C ATOM 459 C PRO A 34 -1.139 -12.755 -6.755 1.00 0.00 C ATOM 460 O PRO A 34 -1.502 -12.818 -5.581 1.00 0.00 O ATOM 461 CB PRO A 34 -0.292 -13.868 -8.839 1.00 0.00 C ATOM 462 CG PRO A 34 -1.045 -13.223 -9.951 1.00 0.00 C ATOM 463 CD PRO A 34 -2.470 -13.682 -9.807 1.00 0.00 C ATOM 0 HA PRO A 34 -1.163 -14.826 -7.049 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.583 -13.280 -8.560 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.066 -14.857 -9.125 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.977 -12.137 -9.890 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.637 -13.514 -10.919 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.174 -12.915 -10.129 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.669 -14.570 -10.408 1.00 0.00 H new ATOM 471 N ALA A 35 -0.595 -11.665 -7.286 1.00 0.00 N ATOM 472 CA ALA A 35 -0.392 -10.453 -6.503 1.00 0.00 C ATOM 473 C ALA A 35 -0.963 -9.234 -7.220 1.00 0.00 C ATOM 474 O ALA A 35 -1.232 -9.278 -8.421 1.00 0.00 O ATOM 475 CB ALA A 35 1.088 -10.252 -6.214 1.00 0.00 C ATOM 0 H ALA A 35 -0.287 -11.597 -8.256 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.923 -10.568 -5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.224 -9.343 -5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.468 -11.105 -5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.633 -10.163 -7.154 1.00 0.00 H new ATOM 481 N ARG A 36 -1.145 -8.147 -6.477 1.00 0.00 N ATOM 482 CA ARG A 36 -1.685 -6.917 -7.042 1.00 0.00 C ATOM 483 C ARG A 36 -0.659 -5.790 -6.973 1.00 0.00 C ATOM 484 O ARG A 36 0.210 -5.781 -6.101 1.00 0.00 O ATOM 485 CB ARG A 36 -2.959 -6.507 -6.301 1.00 0.00 C ATOM 486 CG ARG A 36 -2.710 -6.023 -4.882 1.00 0.00 C ATOM 487 CD ARG A 36 -3.994 -5.546 -4.222 1.00 0.00 C ATOM 488 NE ARG A 36 -5.002 -6.601 -4.161 1.00 0.00 N ATOM 489 CZ ARG A 36 -6.102 -6.525 -3.421 1.00 0.00 C ATOM 490 NH1 ARG A 36 -6.335 -5.449 -2.682 1.00 0.00 N ATOM 491 NH2 ARG A 36 -6.973 -7.527 -3.418 1.00 0.00 N ATOM 0 H ARG A 36 -0.926 -8.094 -5.482 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.925 -7.103 -8.089 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.458 -5.717 -6.863 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.641 -7.357 -6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.275 -6.830 -4.292 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.983 -5.211 -4.896 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.775 -5.195 -3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.392 -4.696 -4.776 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.853 -7.443 -4.718 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.668 -4.677 -2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.181 -5.393 -2.115 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.798 -8.357 -3.985 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.817 -7.467 -2.849 1.00 0.00 H new ATOM 505 N TYR A 37 -0.766 -4.842 -7.897 1.00 0.00 N ATOM 506 CA TYR A 37 0.155 -3.712 -7.943 1.00 0.00 C ATOM 507 C TYR A 37 -0.571 -2.435 -8.355 1.00 0.00 C ATOM 508 O TYR A 37 -1.297 -2.413 -9.349 1.00 0.00 O ATOM 509 CB TYR A 37 1.299 -3.999 -8.916 1.00 0.00 C ATOM 510 CG TYR A 37 0.948 -3.726 -10.361 1.00 0.00 C ATOM 511 CD1 TYR A 37 0.292 -4.679 -11.130 1.00 0.00 C ATOM 512 CD2 TYR A 37 1.272 -2.513 -10.958 1.00 0.00 C ATOM 513 CE1 TYR A 37 -0.030 -4.434 -12.450 1.00 0.00 C ATOM 514 CE2 TYR A 37 0.952 -2.259 -12.278 1.00 0.00 C ATOM 515 CZ TYR A 37 0.302 -3.223 -13.020 1.00 0.00 C ATOM 516 OH TYR A 37 -0.019 -2.974 -14.335 1.00 0.00 O ATOM 0 H TYR A 37 -1.481 -4.833 -8.624 1.00 0.00 H new ATOM 0 HA TYR A 37 0.565 -3.569 -6.943 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.161 -3.392 -8.639 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.598 -5.042 -8.814 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.029 -5.628 -10.687 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.782 -1.757 -10.380 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.539 -5.187 -13.033 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.209 -1.311 -12.726 1.00 0.00 H new ATOM 0 HH TYR A 37 0.284 -2.075 -14.581 1.00 0.00 H new ATOM 526 N PHE A 38 -0.368 -1.372 -7.584 1.00 0.00 N ATOM 527 CA PHE A 38 -1.002 -0.090 -7.867 1.00 0.00 C ATOM 528 C PHE A 38 0.028 1.036 -7.880 1.00 0.00 C ATOM 529 O PHE A 38 1.166 0.856 -7.444 1.00 0.00 O ATOM 530 CB PHE A 38 -2.086 0.208 -6.829 1.00 0.00 C ATOM 531 CG PHE A 38 -1.586 0.174 -5.413 1.00 0.00 C ATOM 532 CD1 PHE A 38 -1.258 -1.029 -4.809 1.00 0.00 C ATOM 533 CD2 PHE A 38 -1.444 1.346 -4.687 1.00 0.00 C ATOM 534 CE1 PHE A 38 -0.797 -1.063 -3.506 1.00 0.00 C ATOM 535 CE2 PHE A 38 -0.982 1.317 -3.384 1.00 0.00 C ATOM 536 CZ PHE A 38 -0.660 0.112 -2.793 1.00 0.00 C ATOM 0 H PHE A 38 0.231 -1.373 -6.758 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.461 -0.151 -8.854 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.512 1.191 -7.032 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.892 -0.517 -6.939 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.364 -1.951 -5.362 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.697 2.292 -5.144 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.544 -2.007 -3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.873 2.237 -2.829 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.301 0.088 -1.775 1.00 0.00 H new ATOM 546 N TYR A 39 -0.379 2.196 -8.382 1.00 0.00 N ATOM 547 CA TYR A 39 0.509 3.351 -8.455 1.00 0.00 C ATOM 548 C TYR A 39 0.144 4.387 -7.396 1.00 0.00 C ATOM 549 O TYR A 39 -1.028 4.558 -7.058 1.00 0.00 O ATOM 550 CB TYR A 39 0.445 3.983 -9.847 1.00 0.00 C ATOM 551 CG TYR A 39 0.844 3.039 -10.959 1.00 0.00 C ATOM 552 CD1 TYR A 39 2.056 2.361 -10.920 1.00 0.00 C ATOM 553 CD2 TYR A 39 0.008 2.826 -12.048 1.00 0.00 C ATOM 554 CE1 TYR A 39 2.424 1.499 -11.935 1.00 0.00 C ATOM 555 CE2 TYR A 39 0.368 1.964 -13.067 1.00 0.00 C ATOM 556 CZ TYR A 39 1.577 1.304 -13.006 1.00 0.00 C ATOM 557 OH TYR A 39 1.940 0.445 -14.017 1.00 0.00 O ATOM 0 H TYR A 39 -1.318 2.362 -8.745 1.00 0.00 H new ATOM 0 HA TYR A 39 1.526 3.008 -8.266 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.569 4.338 -10.029 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.097 4.856 -9.871 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.721 2.510 -10.083 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.939 3.343 -12.099 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.370 0.980 -11.890 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.294 1.808 -13.906 1.00 0.00 H new ATOM 0 HH TYR A 39 1.232 0.420 -14.695 1.00 0.00 H new ATOM 567 N ILE A 40 1.155 5.075 -6.878 1.00 0.00 N ATOM 568 CA ILE A 40 0.941 6.095 -5.859 1.00 0.00 C ATOM 569 C ILE A 40 1.352 7.473 -6.366 1.00 0.00 C ATOM 570 O ILE A 40 2.503 7.687 -6.746 1.00 0.00 O ATOM 571 CB ILE A 40 1.725 5.779 -4.572 1.00 0.00 C ATOM 572 CG1 ILE A 40 1.264 4.445 -3.982 1.00 0.00 C ATOM 573 CG2 ILE A 40 1.554 6.901 -3.558 1.00 0.00 C ATOM 574 CD1 ILE A 40 2.296 3.789 -3.092 1.00 0.00 C ATOM 0 H ILE A 40 2.130 4.945 -7.147 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.125 6.096 -5.633 1.00 0.00 H new ATOM 0 HB ILE A 40 2.783 5.698 -4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.351 4.607 -3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.013 3.765 -4.796 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.114 6.663 -2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.927 7.834 -3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.498 7.011 -3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.901 2.848 -2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.202 3.595 -3.667 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.530 4.450 -2.258 1.00 0.00 H new ATOM 586 N GLN A 41 0.404 8.405 -6.368 1.00 0.00 N ATOM 587 CA GLN A 41 0.668 9.763 -6.827 1.00 0.00 C ATOM 588 C GLN A 41 0.743 10.731 -5.651 1.00 0.00 C ATOM 589 O GLN A 41 -0.128 10.734 -4.781 1.00 0.00 O ATOM 590 CB GLN A 41 -0.418 10.213 -7.806 1.00 0.00 C ATOM 591 CG GLN A 41 -0.402 11.707 -8.085 1.00 0.00 C ATOM 592 CD GLN A 41 0.701 12.111 -9.043 1.00 0.00 C ATOM 593 OE1 GLN A 41 1.255 11.275 -9.758 1.00 0.00 O ATOM 594 NE2 GLN A 41 1.027 13.398 -9.063 1.00 0.00 N ATOM 0 H GLN A 41 -0.554 8.244 -6.057 1.00 0.00 H new ATOM 0 HA GLN A 41 1.631 9.766 -7.337 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.294 9.675 -8.746 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.394 9.937 -7.406 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.365 12.005 -8.499 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.278 12.247 -7.146 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.542 14.057 -8.454 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.762 13.728 -9.688 1.00 0.00 H new ATOM 603 N ALA A 42 1.788 11.551 -5.631 1.00 0.00 N ATOM 604 CA ALA A 42 1.975 12.524 -4.562 1.00 0.00 C ATOM 605 C ALA A 42 1.215 13.813 -4.855 1.00 0.00 C ATOM 606 O ALA A 42 1.275 14.344 -5.964 1.00 0.00 O ATOM 607 CB ALA A 42 3.456 12.816 -4.367 1.00 0.00 C ATOM 0 H ALA A 42 2.518 11.561 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 42 1.575 12.098 -3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.581 13.544 -3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.977 11.895 -4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.872 13.218 -5.291 1.00 0.00 H new ATOM 613 N VAL A 43 0.498 14.313 -3.853 1.00 0.00 N ATOM 614 CA VAL A 43 -0.274 15.540 -4.002 1.00 0.00 C ATOM 615 C VAL A 43 0.008 16.510 -2.861 1.00 0.00 C ATOM 616 O VAL A 43 0.325 16.096 -1.745 1.00 0.00 O ATOM 617 CB VAL A 43 -1.786 15.249 -4.052 1.00 0.00 C ATOM 618 CG1 VAL A 43 -2.577 16.547 -4.122 1.00 0.00 C ATOM 619 CG2 VAL A 43 -2.116 14.350 -5.234 1.00 0.00 C ATOM 0 H VAL A 43 0.436 13.886 -2.929 1.00 0.00 H new ATOM 0 HA VAL A 43 0.033 15.994 -4.944 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.069 14.727 -3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.643 16.322 -4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.362 17.152 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.293 17.098 -5.019 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.188 14.154 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.819 14.843 -6.160 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.577 13.408 -5.136 1.00 0.00 H new ATOM 629 N ASP A 44 -0.109 17.802 -3.147 1.00 0.00 N ATOM 630 CA ASP A 44 0.132 18.832 -2.143 1.00 0.00 C ATOM 631 C ASP A 44 -1.061 18.965 -1.203 1.00 0.00 C ATOM 632 O ASP A 44 -2.042 18.229 -1.319 1.00 0.00 O ATOM 633 CB ASP A 44 0.417 20.175 -2.818 1.00 0.00 C ATOM 634 CG ASP A 44 1.468 20.065 -3.905 1.00 0.00 C ATOM 635 OD1 ASP A 44 1.651 18.953 -4.442 1.00 0.00 O ATOM 636 OD2 ASP A 44 2.108 21.091 -4.219 1.00 0.00 O ATOM 0 H ASP A 44 -0.369 18.161 -4.066 1.00 0.00 H new ATOM 0 HA ASP A 44 1.002 18.536 -1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.506 20.566 -3.247 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.748 20.893 -2.067 1.00 0.00 H new ATOM 641 N THR A 45 -0.971 19.907 -0.269 1.00 0.00 N ATOM 642 CA THR A 45 -2.042 20.135 0.693 1.00 0.00 C ATOM 643 C THR A 45 -3.285 20.694 0.010 1.00 0.00 C ATOM 644 O THR A 45 -4.394 20.587 0.534 1.00 0.00 O ATOM 645 CB THR A 45 -1.601 21.104 1.805 1.00 0.00 C ATOM 646 OG1 THR A 45 -1.551 22.442 1.298 1.00 0.00 O ATOM 647 CG2 THR A 45 -0.237 20.714 2.354 1.00 0.00 C ATOM 0 H THR A 45 -0.167 20.525 -0.159 1.00 0.00 H new ATOM 0 HA THR A 45 -2.279 19.168 1.137 1.00 0.00 H new ATOM 0 HB THR A 45 -2.330 21.049 2.614 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.271 23.052 2.012 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.053 21.413 3.138 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.285 19.706 2.766 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.500 20.743 1.551 1.00 0.00 H new ATOM 655 N SER A 46 -3.092 21.291 -1.162 1.00 0.00 N ATOM 656 CA SER A 46 -4.198 21.870 -1.915 1.00 0.00 C ATOM 657 C SER A 46 -4.750 20.870 -2.926 1.00 0.00 C ATOM 658 O SER A 46 -5.948 20.589 -2.949 1.00 0.00 O ATOM 659 CB SER A 46 -3.743 23.141 -2.635 1.00 0.00 C ATOM 660 OG SER A 46 -3.326 24.130 -1.709 1.00 0.00 O ATOM 0 H SER A 46 -2.181 21.386 -1.610 1.00 0.00 H new ATOM 0 HA SER A 46 -4.990 22.123 -1.211 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.923 22.905 -3.313 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.559 23.530 -3.244 1.00 0.00 H new ATOM 0 HG SER A 46 -3.038 24.932 -2.194 1.00 0.00 H new ATOM 666 N GLY A 47 -3.866 20.335 -3.763 1.00 0.00 N ATOM 667 CA GLY A 47 -4.282 19.372 -4.766 1.00 0.00 C ATOM 668 C GLY A 47 -3.529 19.533 -6.072 1.00 0.00 C ATOM 669 O GLY A 47 -4.120 19.465 -7.149 1.00 0.00 O ATOM 0 H GLY A 47 -2.869 20.551 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.127 18.363 -4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.351 19.483 -4.950 1.00 0.00 H new ATOM 673 N ASN A 48 -2.221 19.749 -5.977 1.00 0.00 N ATOM 674 CA ASN A 48 -1.387 19.923 -7.161 1.00 0.00 C ATOM 675 C ASN A 48 -0.431 18.746 -7.330 1.00 0.00 C ATOM 676 O ASN A 48 0.340 18.423 -6.426 1.00 0.00 O ATOM 677 CB ASN A 48 -0.596 21.228 -7.065 1.00 0.00 C ATOM 678 CG ASN A 48 -1.495 22.449 -7.029 1.00 0.00 C ATOM 679 OD1 ASN A 48 -2.015 22.881 -8.058 1.00 0.00 O ATOM 680 ND2 ASN A 48 -1.683 23.010 -5.840 1.00 0.00 N ATOM 0 H ASN A 48 -1.716 19.808 -5.093 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.040 19.966 -8.033 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.023 21.209 -6.168 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.080 21.303 -7.917 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.279 23.833 -5.753 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.232 22.618 -5.014 1.00 0.00 H new ATOM 687 N LYS A 49 -0.486 18.109 -8.494 1.00 0.00 N ATOM 688 CA LYS A 49 0.376 16.969 -8.785 1.00 0.00 C ATOM 689 C LYS A 49 1.846 17.345 -8.628 1.00 0.00 C ATOM 690 O LYS A 49 2.277 18.407 -9.076 1.00 0.00 O ATOM 691 CB LYS A 49 0.118 16.457 -10.204 1.00 0.00 C ATOM 692 CG LYS A 49 -1.130 15.599 -10.323 1.00 0.00 C ATOM 693 CD LYS A 49 -1.523 15.386 -11.775 1.00 0.00 C ATOM 694 CE LYS A 49 -2.546 14.270 -11.918 1.00 0.00 C ATOM 695 NZ LYS A 49 -3.409 14.458 -13.117 1.00 0.00 N ATOM 0 H LYS A 49 -1.119 18.363 -9.252 1.00 0.00 H new ATOM 0 HA LYS A 49 0.143 16.178 -8.072 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.029 17.309 -10.878 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.980 15.878 -10.535 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.956 14.634 -9.847 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.952 16.075 -9.788 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.933 16.311 -12.181 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.636 15.145 -12.361 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.031 13.312 -11.988 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.169 14.232 -11.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.093 13.677 -13.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.920 15.360 -13.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.817 14.469 -13.972 1.00 0.00 H new ATOM 709 N PHE A 50 2.612 16.465 -7.991 1.00 0.00 N ATOM 710 CA PHE A 50 4.034 16.705 -7.775 1.00 0.00 C ATOM 711 C PHE A 50 4.839 16.359 -9.025 1.00 0.00 C ATOM 712 O PHE A 50 5.632 17.166 -9.510 1.00 0.00 O ATOM 713 CB PHE A 50 4.537 15.883 -6.587 1.00 0.00 C ATOM 714 CG PHE A 50 4.437 16.604 -5.273 1.00 0.00 C ATOM 715 CD1 PHE A 50 3.279 16.532 -4.515 1.00 0.00 C ATOM 716 CD2 PHE A 50 5.499 17.356 -4.797 1.00 0.00 C ATOM 717 CE1 PHE A 50 3.183 17.194 -3.306 1.00 0.00 C ATOM 718 CE2 PHE A 50 5.409 18.020 -3.589 1.00 0.00 C ATOM 719 CZ PHE A 50 4.249 17.940 -2.843 1.00 0.00 C ATOM 0 H PHE A 50 2.272 15.580 -7.616 1.00 0.00 H new ATOM 0 HA PHE A 50 4.170 17.764 -7.558 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.965 14.957 -6.528 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.576 15.605 -6.762 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.442 15.952 -4.874 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.407 17.424 -5.377 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.276 17.128 -2.724 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.245 18.601 -3.228 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.176 18.460 -1.899 1.00 0.00 H new ATOM 729 N THR A 51 4.630 15.151 -9.541 1.00 0.00 N ATOM 730 CA THR A 51 5.336 14.696 -10.732 1.00 0.00 C ATOM 731 C THR A 51 6.834 14.948 -10.612 1.00 0.00 C ATOM 732 O THR A 51 7.521 15.152 -11.613 1.00 0.00 O ATOM 733 CB THR A 51 4.809 15.396 -11.999 1.00 0.00 C ATOM 734 OG1 THR A 51 4.980 16.813 -11.884 1.00 0.00 O ATOM 735 CG2 THR A 51 3.339 15.074 -12.223 1.00 0.00 C ATOM 0 H THR A 51 3.977 14.471 -9.152 1.00 0.00 H new ATOM 0 HA THR A 51 5.156 13.624 -10.817 1.00 0.00 H new ATOM 0 HB THR A 51 5.379 15.030 -12.853 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.595 17.010 -11.147 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.989 15.579 -13.123 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.216 13.997 -12.340 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.757 15.414 -11.366 1.00 0.00 H new ATOM 743 N SER A 52 7.336 14.932 -9.381 1.00 0.00 N ATOM 744 CA SER A 52 8.754 15.162 -9.131 1.00 0.00 C ATOM 745 C SER A 52 9.372 13.983 -8.385 1.00 0.00 C ATOM 746 O SER A 52 8.682 13.027 -8.032 1.00 0.00 O ATOM 747 CB SER A 52 8.950 16.448 -8.327 1.00 0.00 C ATOM 748 OG SER A 52 8.414 17.566 -9.014 1.00 0.00 O ATOM 0 H SER A 52 6.782 14.762 -8.542 1.00 0.00 H new ATOM 0 HA SER A 52 9.255 15.264 -10.093 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.468 16.350 -7.354 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.012 16.606 -8.142 1.00 0.00 H new ATOM 0 HG SER A 52 7.456 17.427 -9.168 1.00 0.00 H new ATOM 754 N SER A 53 10.677 14.060 -8.147 1.00 0.00 N ATOM 755 CA SER A 53 11.391 12.999 -7.445 1.00 0.00 C ATOM 756 C SER A 53 11.641 13.382 -5.990 1.00 0.00 C ATOM 757 O SER A 53 12.582 14.106 -5.665 1.00 0.00 O ATOM 758 CB SER A 53 12.720 12.702 -8.142 1.00 0.00 C ATOM 759 OG SER A 53 13.514 13.871 -8.246 1.00 0.00 O ATOM 0 H SER A 53 11.262 14.846 -8.430 1.00 0.00 H new ATOM 0 HA SER A 53 10.770 12.103 -7.465 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.263 11.938 -7.586 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.530 12.298 -9.136 1.00 0.00 H new ATOM 0 HG SER A 53 13.451 14.384 -7.413 1.00 0.00 H new ATOM 765 N PRO A 54 10.777 12.885 -5.092 1.00 0.00 N ATOM 766 CA PRO A 54 10.883 13.161 -3.656 1.00 0.00 C ATOM 767 C PRO A 54 12.089 12.477 -3.021 1.00 0.00 C ATOM 768 O PRO A 54 12.872 13.108 -2.313 1.00 0.00 O ATOM 769 CB PRO A 54 9.582 12.588 -3.088 1.00 0.00 C ATOM 770 CG PRO A 54 9.178 11.533 -4.059 1.00 0.00 C ATOM 771 CD PRO A 54 9.632 12.016 -5.408 1.00 0.00 C ATOM 0 HA PRO A 54 11.021 14.223 -3.454 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.734 12.172 -2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.816 13.358 -2.998 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.640 10.577 -3.811 1.00 0.00 H new ATOM 0 HG3 PRO A 54 8.099 11.380 -4.042 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.923 11.188 -6.054 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.844 12.563 -5.925 1.00 0.00 H new ATOM 779 N GLY A 55 12.233 11.181 -3.281 1.00 0.00 N ATOM 780 CA GLY A 55 13.346 10.432 -2.728 1.00 0.00 C ATOM 781 C GLY A 55 13.337 8.978 -3.154 1.00 0.00 C ATOM 782 O GLY A 55 12.561 8.586 -4.026 1.00 0.00 O ATOM 0 H GLY A 55 11.598 10.636 -3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.282 10.893 -3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.313 10.488 -1.640 1.00 0.00 H new ATOM 786 N GLU A 56 14.201 8.176 -2.540 1.00 0.00 N ATOM 787 CA GLU A 56 14.290 6.757 -2.864 1.00 0.00 C ATOM 788 C GLU A 56 13.144 5.980 -2.222 1.00 0.00 C ATOM 789 O GLU A 56 12.542 5.109 -2.849 1.00 0.00 O ATOM 790 CB GLU A 56 15.631 6.188 -2.397 1.00 0.00 C ATOM 791 CG GLU A 56 15.975 6.540 -0.960 1.00 0.00 C ATOM 792 CD GLU A 56 17.204 5.808 -0.458 1.00 0.00 C ATOM 793 OE1 GLU A 56 18.287 5.988 -1.053 1.00 0.00 O ATOM 794 OE2 GLU A 56 17.083 5.054 0.531 1.00 0.00 O ATOM 0 H GLU A 56 14.849 8.485 -1.816 1.00 0.00 H new ATOM 0 HA GLU A 56 14.216 6.652 -3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.612 5.103 -2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.420 6.558 -3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 56 16.140 7.615 -0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.127 6.301 -0.318 1.00 0.00 H new ATOM 801 N LYS A 57 12.849 6.302 -0.967 1.00 0.00 N ATOM 802 CA LYS A 57 11.775 5.636 -0.238 1.00 0.00 C ATOM 803 C LYS A 57 11.038 6.621 0.664 1.00 0.00 C ATOM 804 O LYS A 57 11.554 7.031 1.704 1.00 0.00 O ATOM 805 CB LYS A 57 12.337 4.484 0.597 1.00 0.00 C ATOM 806 CG LYS A 57 13.013 3.405 -0.231 1.00 0.00 C ATOM 807 CD LYS A 57 11.996 2.473 -0.869 1.00 0.00 C ATOM 808 CE LYS A 57 12.555 1.810 -2.118 1.00 0.00 C ATOM 809 NZ LYS A 57 13.443 0.661 -1.786 1.00 0.00 N ATOM 0 H LYS A 57 13.339 7.020 -0.433 1.00 0.00 H new ATOM 0 HA LYS A 57 11.067 5.238 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.055 4.883 1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.527 4.035 1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.621 3.869 -1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.689 2.829 0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.701 1.708 -0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.097 3.034 -1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.733 1.464 -2.745 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.113 2.544 -2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.804 0.236 -2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.242 0.995 -1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.905 -0.051 -1.253 1.00 0.00 H new ATOM 823 N VAL A 58 9.828 6.995 0.260 1.00 0.00 N ATOM 824 CA VAL A 58 9.019 7.929 1.034 1.00 0.00 C ATOM 825 C VAL A 58 7.648 7.340 1.346 1.00 0.00 C ATOM 826 O VAL A 58 7.034 7.672 2.360 1.00 0.00 O ATOM 827 CB VAL A 58 8.835 9.264 0.288 1.00 0.00 C ATOM 828 CG1 VAL A 58 10.163 9.995 0.166 1.00 0.00 C ATOM 829 CG2 VAL A 58 8.220 9.027 -1.083 1.00 0.00 C ATOM 0 H VAL A 58 9.387 6.666 -0.599 1.00 0.00 H new ATOM 0 HA VAL A 58 9.553 8.113 1.966 1.00 0.00 H new ATOM 0 HB VAL A 58 8.154 9.891 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.013 10.936 -0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.559 10.198 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.870 9.376 -0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.097 9.981 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.874 8.381 -1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.247 8.549 -0.968 1.00 0.00 H new ATOM 839 N PHE A 59 7.172 6.465 0.467 1.00 0.00 N ATOM 840 CA PHE A 59 5.872 5.829 0.648 1.00 0.00 C ATOM 841 C PHE A 59 6.033 4.366 1.052 1.00 0.00 C ATOM 842 O PHE A 59 6.945 3.681 0.589 1.00 0.00 O ATOM 843 CB PHE A 59 5.049 5.927 -0.639 1.00 0.00 C ATOM 844 CG PHE A 59 4.369 7.254 -0.815 1.00 0.00 C ATOM 845 CD1 PHE A 59 3.421 7.689 0.097 1.00 0.00 C ATOM 846 CD2 PHE A 59 4.677 8.067 -1.894 1.00 0.00 C ATOM 847 CE1 PHE A 59 2.793 8.910 -0.063 1.00 0.00 C ATOM 848 CE2 PHE A 59 4.053 9.289 -2.059 1.00 0.00 C ATOM 849 CZ PHE A 59 3.109 9.711 -1.143 1.00 0.00 C ATOM 0 H PHE A 59 7.667 6.180 -0.378 1.00 0.00 H new ATOM 0 HA PHE A 59 5.348 6.353 1.447 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.702 5.746 -1.493 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.296 5.139 -0.640 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.170 7.067 0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.413 7.742 -2.614 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.056 9.237 0.656 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.303 9.914 -2.904 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.619 10.665 -1.271 1.00 0.00 H new ATOM 859 N GLN A 60 5.141 3.896 1.918 1.00 0.00 N ATOM 860 CA GLN A 60 5.185 2.516 2.385 1.00 0.00 C ATOM 861 C GLN A 60 3.796 1.887 2.357 1.00 0.00 C ATOM 862 O GLN A 60 2.785 2.587 2.426 1.00 0.00 O ATOM 863 CB GLN A 60 5.757 2.453 3.803 1.00 0.00 C ATOM 864 CG GLN A 60 5.862 1.041 4.354 1.00 0.00 C ATOM 865 CD GLN A 60 6.877 0.925 5.475 1.00 0.00 C ATOM 866 OE1 GLN A 60 7.523 1.905 5.846 1.00 0.00 O ATOM 867 NE2 GLN A 60 7.023 -0.277 6.020 1.00 0.00 N ATOM 0 H GLN A 60 4.380 4.450 2.310 1.00 0.00 H new ATOM 0 HA GLN A 60 5.833 1.953 1.714 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.746 2.910 3.807 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.128 3.047 4.466 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.885 0.724 4.719 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.137 0.360 3.548 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.466 -1.062 5.681 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.692 -0.416 6.778 1.00 0.00 H new ATOM 876 N VAL A 61 3.753 0.563 2.255 1.00 0.00 N ATOM 877 CA VAL A 61 2.488 -0.161 2.218 1.00 0.00 C ATOM 878 C VAL A 61 2.560 -1.437 3.049 1.00 0.00 C ATOM 879 O VAL A 61 3.481 -2.239 2.896 1.00 0.00 O ATOM 880 CB VAL A 61 2.090 -0.523 0.774 1.00 0.00 C ATOM 881 CG1 VAL A 61 0.824 -1.365 0.765 1.00 0.00 C ATOM 882 CG2 VAL A 61 1.909 0.737 -0.059 1.00 0.00 C ATOM 0 H VAL A 61 4.580 -0.031 2.196 1.00 0.00 H new ATOM 0 HA VAL A 61 1.732 0.501 2.640 1.00 0.00 H new ATOM 0 HB VAL A 61 2.892 -1.112 0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.558 -1.611 -0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.994 -2.284 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.011 -0.804 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.628 0.464 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.125 1.354 0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.844 1.297 -0.079 1.00 0.00 H new ATOM 892 N LYS A 62 1.581 -1.620 3.929 1.00 0.00 N ATOM 893 CA LYS A 62 1.531 -2.799 4.784 1.00 0.00 C ATOM 894 C LYS A 62 0.473 -3.782 4.294 1.00 0.00 C ATOM 895 O LYS A 62 -0.609 -3.382 3.865 1.00 0.00 O ATOM 896 CB LYS A 62 1.236 -2.394 6.230 1.00 0.00 C ATOM 897 CG LYS A 62 1.094 -3.574 7.176 1.00 0.00 C ATOM 898 CD LYS A 62 2.448 -4.147 7.560 1.00 0.00 C ATOM 899 CE LYS A 62 2.322 -5.178 8.671 1.00 0.00 C ATOM 900 NZ LYS A 62 3.646 -5.741 9.057 1.00 0.00 N ATOM 0 H LYS A 62 0.811 -0.966 4.068 1.00 0.00 H new ATOM 0 HA LYS A 62 2.504 -3.289 4.742 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.037 -1.747 6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.318 -1.807 6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.563 -3.259 8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.490 -4.349 6.704 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.911 -4.606 6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.107 -3.341 7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.855 -4.718 9.542 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.665 -5.985 8.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.518 -6.440 9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.081 -6.202 8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.265 -4.975 9.392 1.00 0.00 H new ATOM 914 N VAL A 63 0.791 -5.071 4.362 1.00 0.00 N ATOM 915 CA VAL A 63 -0.134 -6.111 3.928 1.00 0.00 C ATOM 916 C VAL A 63 -0.337 -7.156 5.019 1.00 0.00 C ATOM 917 O VAL A 63 0.604 -7.844 5.417 1.00 0.00 O ATOM 918 CB VAL A 63 0.367 -6.809 2.650 1.00 0.00 C ATOM 919 CG1 VAL A 63 -0.572 -7.939 2.255 1.00 0.00 C ATOM 920 CG2 VAL A 63 0.512 -5.805 1.516 1.00 0.00 C ATOM 0 H VAL A 63 1.683 -5.420 4.714 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.085 -5.622 3.717 1.00 0.00 H new ATOM 0 HB VAL A 63 1.348 -7.238 2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.202 -8.420 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.620 -8.671 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.568 -7.537 2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.867 -6.316 0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.455 -5.345 1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.228 -5.034 1.802 1.00 0.00 H new ATOM 930 N SER A 64 -1.571 -7.271 5.498 1.00 0.00 N ATOM 931 CA SER A 64 -1.898 -8.231 6.546 1.00 0.00 C ATOM 932 C SER A 64 -3.373 -8.614 6.491 1.00 0.00 C ATOM 933 O SER A 64 -4.198 -7.875 5.955 1.00 0.00 O ATOM 934 CB SER A 64 -1.560 -7.651 7.921 1.00 0.00 C ATOM 935 OG SER A 64 -2.012 -8.504 8.959 1.00 0.00 O ATOM 0 H SER A 64 -2.361 -6.711 5.177 1.00 0.00 H new ATOM 0 HA SER A 64 -1.302 -9.129 6.382 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.482 -7.510 8.005 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.019 -6.668 8.028 1.00 0.00 H new ATOM 0 HG SER A 64 -1.783 -8.112 9.828 1.00 0.00 H new ATOM 941 N ALA A 65 -3.698 -9.775 7.050 1.00 0.00 N ATOM 942 CA ALA A 65 -5.074 -10.257 7.068 1.00 0.00 C ATOM 943 C ALA A 65 -5.687 -10.116 8.457 1.00 0.00 C ATOM 944 O ALA A 65 -5.039 -10.358 9.475 1.00 0.00 O ATOM 945 CB ALA A 65 -5.131 -11.706 6.607 1.00 0.00 C ATOM 0 H ALA A 65 -3.027 -10.400 7.497 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.657 -9.645 6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.164 -12.053 6.625 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.741 -11.780 5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.529 -12.324 7.273 1.00 0.00 H new ATOM 951 N PRO A 66 -6.966 -9.716 8.501 1.00 0.00 N ATOM 952 CA PRO A 66 -7.695 -9.534 9.760 1.00 0.00 C ATOM 953 C PRO A 66 -7.983 -10.858 10.460 1.00 0.00 C ATOM 954 O PRO A 66 -7.699 -11.017 11.647 1.00 0.00 O ATOM 955 CB PRO A 66 -9.001 -8.866 9.321 1.00 0.00 C ATOM 956 CG PRO A 66 -9.183 -9.287 7.904 1.00 0.00 C ATOM 957 CD PRO A 66 -7.800 -9.410 7.327 1.00 0.00 C ATOM 0 HA PRO A 66 -7.123 -8.950 10.481 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.838 -9.188 9.940 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.939 -7.781 9.407 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.716 -10.236 7.844 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.772 -8.555 7.352 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.746 -10.201 6.579 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -7.485 -8.488 6.840 1.00 0.00 H new ATOM 965 N GLU A 67 -8.547 -11.804 9.717 1.00 0.00 N ATOM 966 CA GLU A 67 -8.873 -13.115 10.268 1.00 0.00 C ATOM 967 C GLU A 67 -7.615 -13.962 10.435 1.00 0.00 C ATOM 968 O GLU A 67 -7.319 -14.441 11.529 1.00 0.00 O ATOM 969 CB GLU A 67 -9.873 -13.838 9.364 1.00 0.00 C ATOM 970 CG GLU A 67 -11.146 -13.049 9.109 1.00 0.00 C ATOM 971 CD GLU A 67 -12.074 -13.037 10.308 1.00 0.00 C ATOM 972 OE1 GLU A 67 -12.800 -14.035 10.505 1.00 0.00 O ATOM 973 OE2 GLU A 67 -12.076 -12.032 11.048 1.00 0.00 O ATOM 0 H GLU A 67 -8.788 -11.688 8.733 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.323 -12.967 11.250 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.394 -14.057 8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.133 -14.795 9.817 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.887 -12.024 8.844 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.669 -13.477 8.254 1.00 0.00 H new ATOM 980 N GLU A 68 -6.881 -14.144 9.342 1.00 0.00 N ATOM 981 CA GLU A 68 -5.656 -14.935 9.368 1.00 0.00 C ATOM 982 C GLU A 68 -4.556 -14.210 10.138 1.00 0.00 C ATOM 983 O GLU A 68 -4.260 -13.046 9.868 1.00 0.00 O ATOM 984 CB GLU A 68 -5.185 -15.233 7.943 1.00 0.00 C ATOM 985 CG GLU A 68 -4.046 -16.236 7.876 1.00 0.00 C ATOM 986 CD GLU A 68 -4.241 -17.405 8.821 1.00 0.00 C ATOM 987 OE1 GLU A 68 -5.300 -18.062 8.742 1.00 0.00 O ATOM 988 OE2 GLU A 68 -3.334 -17.663 9.640 1.00 0.00 O ATOM 0 H GLU A 68 -7.113 -13.755 8.428 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.872 -15.875 9.876 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.026 -15.612 7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.867 -14.303 7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.956 -16.610 6.856 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.109 -15.733 8.115 1.00 0.00 H new ATOM 995 N GLN A 69 -3.956 -14.907 11.097 1.00 0.00 N ATOM 996 CA GLN A 69 -2.890 -14.329 11.907 1.00 0.00 C ATOM 997 C GLN A 69 -1.879 -13.595 11.033 1.00 0.00 C ATOM 998 O GLN A 69 -1.878 -13.741 9.810 1.00 0.00 O ATOM 999 CB GLN A 69 -2.186 -15.421 12.715 1.00 0.00 C ATOM 1000 CG GLN A 69 -2.874 -15.744 14.031 1.00 0.00 C ATOM 1001 CD GLN A 69 -2.505 -17.115 14.562 1.00 0.00 C ATOM 1002 OE1 GLN A 69 -1.692 -17.825 13.969 1.00 0.00 O ATOM 1003 NE2 GLN A 69 -3.101 -17.495 15.686 1.00 0.00 N ATOM 0 H GLN A 69 -4.189 -15.872 11.332 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.338 -13.611 12.593 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.129 -16.327 12.112 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.162 -15.108 12.917 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.608 -14.989 14.770 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.954 -15.690 13.895 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.768 -16.875 16.144 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.891 -18.407 16.091 1.00 0.00 H new ATOM 1012 N PHE A 70 -1.019 -12.805 11.667 1.00 0.00 N ATOM 1013 CA PHE A 70 -0.003 -12.046 10.947 1.00 0.00 C ATOM 1014 C PHE A 70 0.557 -12.857 9.781 1.00 0.00 C ATOM 1015 O PHE A 70 0.558 -14.088 9.809 1.00 0.00 O ATOM 1016 CB PHE A 70 1.130 -11.644 11.893 1.00 0.00 C ATOM 1017 CG PHE A 70 0.694 -10.712 12.988 1.00 0.00 C ATOM 1018 CD1 PHE A 70 0.633 -9.346 12.769 1.00 0.00 C ATOM 1019 CD2 PHE A 70 0.347 -11.204 14.236 1.00 0.00 C ATOM 1020 CE1 PHE A 70 0.232 -8.486 13.774 1.00 0.00 C ATOM 1021 CE2 PHE A 70 -0.055 -10.349 15.245 1.00 0.00 C ATOM 1022 CZ PHE A 70 -0.111 -8.988 15.014 1.00 0.00 C ATOM 0 H PHE A 70 -1.005 -12.674 12.678 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.472 -11.146 10.549 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.556 -12.543 12.340 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.923 -11.168 11.316 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.902 -8.948 11.802 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.391 -12.267 14.422 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.187 -7.423 13.590 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.325 -10.745 16.213 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.422 -8.318 15.802 1.00 0.00 H new ATOM 1032 N THR A 71 1.031 -12.157 8.755 1.00 0.00 N ATOM 1033 CA THR A 71 1.592 -12.810 7.579 1.00 0.00 C ATOM 1034 C THR A 71 2.898 -12.150 7.154 1.00 0.00 C ATOM 1035 O THR A 71 3.094 -10.951 7.355 1.00 0.00 O ATOM 1036 CB THR A 71 0.606 -12.779 6.396 1.00 0.00 C ATOM 1037 OG1 THR A 71 1.135 -13.528 5.297 1.00 0.00 O ATOM 1038 CG2 THR A 71 0.333 -11.348 5.956 1.00 0.00 C ATOM 0 H THR A 71 1.037 -11.138 8.715 1.00 0.00 H new ATOM 0 HA THR A 71 1.785 -13.847 7.855 1.00 0.00 H new ATOM 0 HB THR A 71 -0.332 -13.228 6.723 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.501 -13.505 4.550 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.366 -11.352 5.120 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.098 -10.788 6.786 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.267 -10.878 5.647 1.00 0.00 H new ATOM 1046 N ARG A 72 3.790 -12.939 6.565 1.00 0.00 N ATOM 1047 CA ARG A 72 5.080 -12.431 6.112 1.00 0.00 C ATOM 1048 C ARG A 72 5.041 -12.100 4.623 1.00 0.00 C ATOM 1049 O ARG A 72 5.340 -12.946 3.780 1.00 0.00 O ATOM 1050 CB ARG A 72 6.182 -13.455 6.389 1.00 0.00 C ATOM 1051 CG ARG A 72 6.525 -13.596 7.863 1.00 0.00 C ATOM 1052 CD ARG A 72 5.513 -14.470 8.589 1.00 0.00 C ATOM 1053 NE ARG A 72 5.746 -14.493 10.031 1.00 0.00 N ATOM 1054 CZ ARG A 72 5.085 -15.284 10.869 1.00 0.00 C ATOM 1055 NH1 ARG A 72 4.155 -16.111 10.411 1.00 0.00 N ATOM 1056 NH2 ARG A 72 5.353 -15.248 12.168 1.00 0.00 N ATOM 0 H ARG A 72 3.643 -13.933 6.390 1.00 0.00 H new ATOM 0 HA ARG A 72 5.296 -11.517 6.665 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.870 -14.425 6.003 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.080 -13.167 5.842 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.521 -14.027 7.966 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.555 -12.610 8.327 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.507 -14.102 8.390 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.564 -15.486 8.197 1.00 0.00 H new ATOM 0 HE ARG A 72 6.455 -13.868 10.415 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.946 -16.141 9.413 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.649 -16.717 11.057 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.067 -14.613 12.524 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.845 -15.856 12.811 1.00 0.00 H new ATOM 1070 N VAL A 73 4.669 -10.864 4.306 1.00 0.00 N ATOM 1071 CA VAL A 73 4.591 -10.420 2.919 1.00 0.00 C ATOM 1072 C VAL A 73 5.766 -9.515 2.565 1.00 0.00 C ATOM 1073 O VAL A 73 5.990 -8.491 3.207 1.00 0.00 O ATOM 1074 CB VAL A 73 3.276 -9.668 2.643 1.00 0.00 C ATOM 1075 CG1 VAL A 73 3.230 -9.185 1.201 1.00 0.00 C ATOM 1076 CG2 VAL A 73 2.080 -10.554 2.956 1.00 0.00 C ATOM 0 H VAL A 73 4.417 -10.152 4.991 1.00 0.00 H new ATOM 0 HA VAL A 73 4.625 -11.315 2.298 1.00 0.00 H new ATOM 0 HB VAL A 73 3.233 -8.795 3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.294 -8.656 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.067 -8.512 1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.296 -10.040 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.159 -10.006 2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.115 -11.447 2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.108 -10.845 4.006 1.00 0.00 H new ATOM 1086 N GLY A 74 6.514 -9.902 1.536 1.00 0.00 N ATOM 1087 CA GLY A 74 7.657 -9.114 1.113 1.00 0.00 C ATOM 1088 C GLY A 74 7.270 -7.983 0.180 1.00 0.00 C ATOM 1089 O GLY A 74 7.508 -8.054 -1.025 1.00 0.00 O ATOM 0 H GLY A 74 6.349 -10.746 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.155 -8.702 1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.376 -9.763 0.613 1.00 0.00 H new ATOM 1093 N VAL A 75 6.667 -6.938 0.738 1.00 0.00 N ATOM 1094 CA VAL A 75 6.245 -5.788 -0.051 1.00 0.00 C ATOM 1095 C VAL A 75 7.422 -4.868 -0.357 1.00 0.00 C ATOM 1096 O VAL A 75 8.311 -4.686 0.474 1.00 0.00 O ATOM 1097 CB VAL A 75 5.151 -4.980 0.673 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.805 -3.725 -0.112 1.00 0.00 C ATOM 1099 CG2 VAL A 75 3.915 -5.838 0.895 1.00 0.00 C ATOM 0 H VAL A 75 6.460 -6.865 1.734 1.00 0.00 H new ATOM 0 HA VAL A 75 5.840 -6.178 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 75 5.534 -4.675 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.031 -3.168 0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.694 -3.103 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.442 -4.003 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.152 -5.252 1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.528 -6.175 -0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.177 -6.703 1.504 1.00 0.00 H new ATOM 1109 N GLN A 76 7.420 -4.292 -1.554 1.00 0.00 N ATOM 1110 CA GLN A 76 8.489 -3.391 -1.970 1.00 0.00 C ATOM 1111 C GLN A 76 7.983 -2.384 -2.997 1.00 0.00 C ATOM 1112 O GLN A 76 7.267 -2.742 -3.932 1.00 0.00 O ATOM 1113 CB GLN A 76 9.658 -4.187 -2.551 1.00 0.00 C ATOM 1114 CG GLN A 76 10.773 -3.314 -3.103 1.00 0.00 C ATOM 1115 CD GLN A 76 12.135 -3.972 -3.001 1.00 0.00 C ATOM 1116 OE1 GLN A 76 12.325 -4.915 -2.233 1.00 0.00 O ATOM 1117 NE2 GLN A 76 13.092 -3.477 -3.778 1.00 0.00 N ATOM 0 H GLN A 76 6.691 -4.433 -2.253 1.00 0.00 H new ATOM 0 HA GLN A 76 8.832 -2.845 -1.091 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.066 -4.836 -1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.287 -4.834 -3.346 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.564 -3.081 -4.147 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.790 -2.368 -2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.890 -2.694 -4.400 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.029 -3.880 -3.753 1.00 0.00 H new ATOM 1126 N VAL A 77 8.360 -1.122 -2.817 1.00 0.00 N ATOM 1127 CA VAL A 77 7.946 -0.062 -3.729 1.00 0.00 C ATOM 1128 C VAL A 77 9.094 0.362 -4.638 1.00 0.00 C ATOM 1129 O VAL A 77 10.161 0.757 -4.165 1.00 0.00 O ATOM 1130 CB VAL A 77 7.431 1.170 -2.961 1.00 0.00 C ATOM 1131 CG1 VAL A 77 6.211 0.809 -2.129 1.00 0.00 C ATOM 1132 CG2 VAL A 77 8.532 1.749 -2.086 1.00 0.00 C ATOM 0 H VAL A 77 8.952 -0.809 -2.048 1.00 0.00 H new ATOM 0 HA VAL A 77 7.137 -0.466 -4.337 1.00 0.00 H new ATOM 0 HB VAL A 77 7.135 1.930 -3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.861 1.692 -1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.419 0.444 -2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.476 0.032 -1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.152 2.619 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.861 0.996 -1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.374 2.047 -2.711 1.00 0.00 H new ATOM 1142 N LEU A 78 8.870 0.277 -5.944 1.00 0.00 N ATOM 1143 CA LEU A 78 9.886 0.653 -6.921 1.00 0.00 C ATOM 1144 C LEU A 78 9.490 1.929 -7.655 1.00 0.00 C ATOM 1145 O LEU A 78 8.306 2.207 -7.844 1.00 0.00 O ATOM 1146 CB LEU A 78 10.101 -0.481 -7.925 1.00 0.00 C ATOM 1147 CG LEU A 78 11.504 -0.593 -8.522 1.00 0.00 C ATOM 1148 CD1 LEU A 78 12.490 -1.095 -7.478 1.00 0.00 C ATOM 1149 CD2 LEU A 78 11.496 -1.511 -9.735 1.00 0.00 C ATOM 0 H LEU A 78 7.994 -0.049 -6.352 1.00 0.00 H new ATOM 0 HA LEU A 78 10.818 0.838 -6.386 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.861 -1.424 -7.434 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.390 -0.356 -8.741 1.00 0.00 H new ATOM 0 HG LEU A 78 11.821 0.399 -8.844 1.00 0.00 H new ATOM 0 HD11 LEU A 78 13.483 -1.168 -7.921 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.517 -0.399 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.177 -2.077 -7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.503 -1.579 -10.147 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.158 -2.504 -9.438 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.821 -1.109 -10.491 1.00 0.00 H new ATOM 1161 N ASP A 79 10.489 2.702 -8.069 1.00 0.00 N ATOM 1162 CA ASP A 79 10.246 3.948 -8.786 1.00 0.00 C ATOM 1163 C ASP A 79 10.038 3.687 -10.274 1.00 0.00 C ATOM 1164 O ASP A 79 10.975 3.330 -10.989 1.00 0.00 O ATOM 1165 CB ASP A 79 11.413 4.915 -8.583 1.00 0.00 C ATOM 1166 CG ASP A 79 11.376 6.080 -9.552 1.00 0.00 C ATOM 1167 OD1 ASP A 79 11.327 5.832 -10.775 1.00 0.00 O ATOM 1168 OD2 ASP A 79 11.396 7.239 -9.088 1.00 0.00 O ATOM 0 H ASP A 79 11.475 2.487 -7.920 1.00 0.00 H new ATOM 0 HA ASP A 79 9.338 4.398 -8.384 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.392 5.295 -7.562 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.353 4.376 -8.703 1.00 0.00 H new ATOM 1173 N ARG A 80 8.805 3.866 -10.735 1.00 0.00 N ATOM 1174 CA ARG A 80 8.474 3.647 -12.138 1.00 0.00 C ATOM 1175 C ARG A 80 8.576 4.947 -12.930 1.00 0.00 C ATOM 1176 O ARG A 80 9.365 5.055 -13.869 1.00 0.00 O ATOM 1177 CB ARG A 80 7.064 3.069 -12.267 1.00 0.00 C ATOM 1178 CG ARG A 80 6.987 1.579 -11.976 1.00 0.00 C ATOM 1179 CD ARG A 80 7.545 0.756 -13.127 1.00 0.00 C ATOM 1180 NE ARG A 80 7.378 -0.678 -12.907 1.00 0.00 N ATOM 1181 CZ ARG A 80 7.628 -1.597 -13.832 1.00 0.00 C ATOM 1182 NH1 ARG A 80 8.054 -1.235 -15.034 1.00 0.00 N ATOM 1183 NH2 ARG A 80 7.452 -2.883 -13.555 1.00 0.00 N ATOM 0 H ARG A 80 8.018 4.162 -10.157 1.00 0.00 H new ATOM 0 HA ARG A 80 9.191 2.935 -12.547 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.400 3.599 -11.584 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.696 3.253 -13.276 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.543 1.356 -11.065 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.950 1.296 -11.794 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.045 1.041 -14.052 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.604 0.982 -13.254 1.00 0.00 H new ATOM 0 HE ARG A 80 7.051 -0.991 -11.993 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.191 -0.248 -15.251 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.245 -1.944 -15.742 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.125 -3.166 -12.631 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.644 -3.589 -14.266 1.00 0.00 H new ATOM 1197 N LYS A 81 7.773 5.933 -12.545 1.00 0.00 N ATOM 1198 CA LYS A 81 7.773 7.227 -13.217 1.00 0.00 C ATOM 1199 C LYS A 81 8.501 8.275 -12.381 1.00 0.00 C ATOM 1200 O LYS A 81 9.065 7.963 -11.332 1.00 0.00 O ATOM 1201 CB LYS A 81 6.338 7.683 -13.489 1.00 0.00 C ATOM 1202 CG LYS A 81 5.525 6.686 -14.297 1.00 0.00 C ATOM 1203 CD LYS A 81 5.748 6.864 -15.789 1.00 0.00 C ATOM 1204 CE LYS A 81 5.181 5.695 -16.580 1.00 0.00 C ATOM 1205 NZ LYS A 81 3.756 5.915 -16.950 1.00 0.00 N ATOM 0 H LYS A 81 7.113 5.861 -11.770 1.00 0.00 H new ATOM 0 HA LYS A 81 8.299 7.116 -14.165 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.836 7.862 -12.538 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.363 8.634 -14.020 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.798 5.672 -14.006 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.466 6.809 -14.069 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.279 7.791 -16.120 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.815 6.957 -15.990 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.772 5.547 -17.484 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.266 4.782 -15.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.407 5.096 -17.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.187 6.031 -16.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.677 6.772 -17.534 1.00 0.00 H new ATOM 1219 N ASP A 82 8.483 9.517 -12.851 1.00 0.00 N ATOM 1220 CA ASP A 82 9.139 10.612 -12.145 1.00 0.00 C ATOM 1221 C ASP A 82 8.484 10.853 -10.788 1.00 0.00 C ATOM 1222 O ASP A 82 9.164 10.943 -9.767 1.00 0.00 O ATOM 1223 CB ASP A 82 9.090 11.890 -12.983 1.00 0.00 C ATOM 1224 CG ASP A 82 9.818 11.743 -14.305 1.00 0.00 C ATOM 1225 OD1 ASP A 82 9.265 11.096 -15.219 1.00 0.00 O ATOM 1226 OD2 ASP A 82 10.940 12.277 -14.426 1.00 0.00 O ATOM 0 H ASP A 82 8.021 9.791 -13.718 1.00 0.00 H new ATOM 0 HA ASP A 82 10.180 10.334 -11.982 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.050 12.158 -13.172 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.533 12.710 -12.417 1.00 0.00 H new ATOM 1231 N GLY A 83 7.159 10.959 -10.787 1.00 0.00 N ATOM 1232 CA GLY A 83 6.434 11.190 -9.551 1.00 0.00 C ATOM 1233 C GLY A 83 5.435 10.091 -9.249 1.00 0.00 C ATOM 1234 O GLY A 83 4.276 10.364 -8.939 1.00 0.00 O ATOM 0 H GLY A 83 6.574 10.889 -11.620 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.143 11.268 -8.727 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.911 12.144 -9.613 1.00 0.00 H new ATOM 1238 N SER A 84 5.885 8.843 -9.342 1.00 0.00 N ATOM 1239 CA SER A 84 5.020 7.698 -9.083 1.00 0.00 C ATOM 1240 C SER A 84 5.830 6.512 -8.568 1.00 0.00 C ATOM 1241 O SER A 84 7.060 6.549 -8.542 1.00 0.00 O ATOM 1242 CB SER A 84 4.267 7.302 -10.354 1.00 0.00 C ATOM 1243 OG SER A 84 3.869 8.447 -11.089 1.00 0.00 O ATOM 0 H SER A 84 6.843 8.600 -9.595 1.00 0.00 H new ATOM 0 HA SER A 84 4.299 7.984 -8.317 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.902 6.670 -10.975 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.389 6.711 -10.091 1.00 0.00 H new ATOM 0 HG SER A 84 3.391 8.167 -11.897 1.00 0.00 H new ATOM 1249 N PHE A 85 5.130 5.459 -8.158 1.00 0.00 N ATOM 1250 CA PHE A 85 5.782 4.261 -7.642 1.00 0.00 C ATOM 1251 C PHE A 85 4.924 3.025 -7.891 1.00 0.00 C ATOM 1252 O PHE A 85 3.730 3.131 -8.175 1.00 0.00 O ATOM 1253 CB PHE A 85 6.059 4.410 -6.145 1.00 0.00 C ATOM 1254 CG PHE A 85 7.268 5.248 -5.840 1.00 0.00 C ATOM 1255 CD1 PHE A 85 7.155 6.620 -5.682 1.00 0.00 C ATOM 1256 CD2 PHE A 85 8.518 4.663 -5.709 1.00 0.00 C ATOM 1257 CE1 PHE A 85 8.266 7.393 -5.402 1.00 0.00 C ATOM 1258 CE2 PHE A 85 9.632 5.431 -5.429 1.00 0.00 C ATOM 1259 CZ PHE A 85 9.506 6.798 -5.274 1.00 0.00 C ATOM 0 H PHE A 85 4.111 5.411 -8.173 1.00 0.00 H new ATOM 0 HA PHE A 85 6.728 4.137 -8.169 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.188 4.855 -5.665 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.193 3.420 -5.708 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.188 7.091 -5.779 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.622 3.595 -5.827 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.165 8.462 -5.283 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.600 4.963 -5.331 1.00 0.00 H new ATOM 0 HZ PHE A 85 10.375 7.400 -5.053 1.00 0.00 H new ATOM 1269 N ILE A 86 5.540 1.852 -7.784 1.00 0.00 N ATOM 1270 CA ILE A 86 4.833 0.596 -7.997 1.00 0.00 C ATOM 1271 C ILE A 86 4.993 -0.335 -6.799 1.00 0.00 C ATOM 1272 O ILE A 86 6.102 -0.554 -6.313 1.00 0.00 O ATOM 1273 CB ILE A 86 5.334 -0.125 -9.262 1.00 0.00 C ATOM 1274 CG1 ILE A 86 4.490 -1.372 -9.533 1.00 0.00 C ATOM 1275 CG2 ILE A 86 6.803 -0.494 -9.115 1.00 0.00 C ATOM 1276 CD1 ILE A 86 4.387 -1.724 -11.001 1.00 0.00 C ATOM 0 H ILE A 86 6.527 1.746 -7.551 1.00 0.00 H new ATOM 0 HA ILE A 86 3.779 0.845 -8.124 1.00 0.00 H new ATOM 0 HB ILE A 86 5.233 0.551 -10.111 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.920 -2.216 -8.994 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.488 -1.217 -9.134 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.142 -1.003 -10.017 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.392 0.411 -8.965 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.928 -1.155 -8.257 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.775 -2.618 -11.119 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.929 -0.896 -11.542 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.383 -1.912 -11.401 1.00 0.00 H new ATOM 1288 N VAL A 87 3.876 -0.881 -6.328 1.00 0.00 N ATOM 1289 CA VAL A 87 3.891 -1.790 -5.188 1.00 0.00 C ATOM 1290 C VAL A 87 3.697 -3.235 -5.636 1.00 0.00 C ATOM 1291 O VAL A 87 2.700 -3.568 -6.276 1.00 0.00 O ATOM 1292 CB VAL A 87 2.797 -1.429 -4.167 1.00 0.00 C ATOM 1293 CG1 VAL A 87 2.776 -2.436 -3.027 1.00 0.00 C ATOM 1294 CG2 VAL A 87 3.006 -0.018 -3.639 1.00 0.00 C ATOM 0 H VAL A 87 2.949 -0.710 -6.718 1.00 0.00 H new ATOM 0 HA VAL A 87 4.867 -1.687 -4.714 1.00 0.00 H new ATOM 0 HB VAL A 87 1.830 -1.465 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.996 -2.164 -2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.574 -3.431 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.743 -2.436 -2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.224 0.220 -2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.979 0.048 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.965 0.690 -4.467 1.00 0.00 H new ATOM 1304 N ARG A 88 4.657 -4.088 -5.294 1.00 0.00 N ATOM 1305 CA ARG A 88 4.592 -5.498 -5.661 1.00 0.00 C ATOM 1306 C ARG A 88 5.048 -6.382 -4.504 1.00 0.00 C ATOM 1307 O ARG A 88 5.967 -6.030 -3.764 1.00 0.00 O ATOM 1308 CB ARG A 88 5.458 -5.766 -6.893 1.00 0.00 C ATOM 1309 CG ARG A 88 4.879 -5.199 -8.179 1.00 0.00 C ATOM 1310 CD ARG A 88 5.915 -5.175 -9.293 1.00 0.00 C ATOM 1311 NE ARG A 88 6.164 -6.506 -9.837 1.00 0.00 N ATOM 1312 CZ ARG A 88 5.324 -7.138 -10.650 1.00 0.00 C ATOM 1313 NH1 ARG A 88 4.185 -6.561 -11.009 1.00 0.00 N ATOM 1314 NH2 ARG A 88 5.622 -8.348 -11.104 1.00 0.00 N ATOM 0 H ARG A 88 5.489 -3.828 -4.764 1.00 0.00 H new ATOM 0 HA ARG A 88 3.555 -5.740 -5.894 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.448 -5.339 -6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.590 -6.842 -7.007 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.023 -5.798 -8.489 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.512 -4.188 -8.000 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.574 -4.515 -10.091 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.848 -4.759 -8.912 1.00 0.00 H new ATOM 0 HE ARG A 88 7.031 -6.977 -9.579 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.953 -5.631 -10.661 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.541 -7.047 -11.633 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.497 -8.795 -10.829 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.976 -8.832 -11.728 1.00 0.00 H new ATOM 1328 N TYR A 89 4.398 -7.531 -4.353 1.00 0.00 N ATOM 1329 CA TYR A 89 4.734 -8.465 -3.284 1.00 0.00 C ATOM 1330 C TYR A 89 4.734 -9.902 -3.797 1.00 0.00 C ATOM 1331 O TYR A 89 4.153 -10.201 -4.840 1.00 0.00 O ATOM 1332 CB TYR A 89 3.744 -8.324 -2.126 1.00 0.00 C ATOM 1333 CG TYR A 89 2.420 -9.010 -2.375 1.00 0.00 C ATOM 1334 CD1 TYR A 89 2.228 -10.342 -2.030 1.00 0.00 C ATOM 1335 CD2 TYR A 89 1.359 -8.325 -2.955 1.00 0.00 C ATOM 1336 CE1 TYR A 89 1.020 -10.972 -2.256 1.00 0.00 C ATOM 1337 CE2 TYR A 89 0.147 -8.946 -3.184 1.00 0.00 C ATOM 1338 CZ TYR A 89 -0.018 -10.270 -2.833 1.00 0.00 C ATOM 1339 OH TYR A 89 -1.223 -10.894 -3.059 1.00 0.00 O ATOM 0 H TYR A 89 3.636 -7.838 -4.957 1.00 0.00 H new ATOM 0 HA TYR A 89 5.736 -8.226 -2.928 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.193 -8.737 -1.223 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.566 -7.265 -1.938 1.00 0.00 H new ATOM 0 HD1 TYR A 89 3.038 -10.895 -1.577 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.485 -7.289 -3.232 1.00 0.00 H new ATOM 0 HE1 TYR A 89 0.889 -12.009 -1.983 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.667 -8.398 -3.635 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.186 -11.811 -2.716 1.00 0.00 H new ATOM 1349 N ARG A 90 5.390 -10.787 -3.054 1.00 0.00 N ATOM 1350 CA ARG A 90 5.467 -12.193 -3.432 1.00 0.00 C ATOM 1351 C ARG A 90 4.579 -13.048 -2.532 1.00 0.00 C ATOM 1352 O ARG A 90 4.411 -12.753 -1.349 1.00 0.00 O ATOM 1353 CB ARG A 90 6.913 -12.685 -3.355 1.00 0.00 C ATOM 1354 CG ARG A 90 7.128 -14.048 -3.994 1.00 0.00 C ATOM 1355 CD ARG A 90 8.583 -14.257 -4.384 1.00 0.00 C ATOM 1356 NE ARG A 90 8.960 -15.667 -4.353 1.00 0.00 N ATOM 1357 CZ ARG A 90 8.947 -16.408 -3.250 1.00 0.00 C ATOM 1358 NH1 ARG A 90 8.576 -15.874 -2.094 1.00 0.00 N ATOM 1359 NH2 ARG A 90 9.304 -17.684 -3.302 1.00 0.00 N ATOM 0 H ARG A 90 5.876 -10.556 -2.187 1.00 0.00 H new ATOM 0 HA ARG A 90 5.112 -12.287 -4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.562 -11.958 -3.843 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.217 -12.731 -2.309 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.821 -14.829 -3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.496 -14.141 -4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.751 -13.859 -5.385 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.225 -13.695 -3.705 1.00 0.00 H new ATOM 0 HE ARG A 90 9.249 -16.108 -5.226 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.300 -14.893 -2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.567 -16.444 -1.248 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.589 -18.098 -4.190 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.294 -18.251 -2.454 1.00 0.00 H new ATOM 1373 N MET A 91 4.013 -14.107 -3.101 1.00 0.00 N ATOM 1374 CA MET A 91 3.143 -15.004 -2.350 1.00 0.00 C ATOM 1375 C MET A 91 2.739 -16.206 -3.198 1.00 0.00 C ATOM 1376 O MET A 91 2.440 -16.068 -4.384 1.00 0.00 O ATOM 1377 CB MET A 91 1.895 -14.259 -1.873 1.00 0.00 C ATOM 1378 CG MET A 91 0.998 -15.090 -0.971 1.00 0.00 C ATOM 1379 SD MET A 91 1.461 -14.972 0.768 1.00 0.00 S ATOM 1380 CE MET A 91 -0.150 -14.844 1.539 1.00 0.00 C ATOM 0 H MET A 91 4.141 -14.365 -4.079 1.00 0.00 H new ATOM 0 HA MET A 91 3.696 -15.363 -1.482 1.00 0.00 H new ATOM 0 HB2 MET A 91 2.201 -13.360 -1.338 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.322 -13.934 -2.741 1.00 0.00 H new ATOM 0 HG2 MET A 91 -0.035 -14.763 -1.091 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.040 -16.133 -1.284 1.00 0.00 H new ATOM 0 HE1 MET A 91 -0.031 -14.764 2.619 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.664 -13.959 1.164 1.00 0.00 H new ATOM 0 HE3 MET A 91 -0.737 -15.731 1.304 1.00 0.00 H new ATOM 1390 N TYR A 92 2.732 -17.383 -2.583 1.00 0.00 N ATOM 1391 CA TYR A 92 2.367 -18.609 -3.283 1.00 0.00 C ATOM 1392 C TYR A 92 1.290 -19.373 -2.518 1.00 0.00 C ATOM 1393 O TYR A 92 1.504 -20.505 -2.087 1.00 0.00 O ATOM 1394 CB TYR A 92 3.597 -19.497 -3.476 1.00 0.00 C ATOM 1395 CG TYR A 92 4.387 -19.174 -4.724 1.00 0.00 C ATOM 1396 CD1 TYR A 92 5.158 -18.021 -4.803 1.00 0.00 C ATOM 1397 CD2 TYR A 92 4.361 -20.021 -5.825 1.00 0.00 C ATOM 1398 CE1 TYR A 92 5.881 -17.722 -5.942 1.00 0.00 C ATOM 1399 CE2 TYR A 92 5.081 -19.731 -6.967 1.00 0.00 C ATOM 1400 CZ TYR A 92 5.839 -18.580 -7.021 1.00 0.00 C ATOM 1401 OH TYR A 92 6.557 -18.286 -8.158 1.00 0.00 O ATOM 0 H TYR A 92 2.975 -17.514 -1.601 1.00 0.00 H new ATOM 0 HA TYR A 92 1.969 -18.334 -4.260 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.248 -19.395 -2.608 1.00 0.00 H new ATOM 0 HB3 TYR A 92 3.280 -20.539 -3.516 1.00 0.00 H new ATOM 0 HD1 TYR A 92 5.193 -17.347 -3.960 1.00 0.00 H new ATOM 0 HD2 TYR A 92 3.767 -20.922 -5.787 1.00 0.00 H new ATOM 0 HE1 TYR A 92 6.476 -16.822 -5.987 1.00 0.00 H new ATOM 0 HE2 TYR A 92 5.051 -20.402 -7.813 1.00 0.00 H new ATOM 0 HH TYR A 92 6.420 -18.992 -8.823 1.00 0.00 H new ATOM 1411 N ALA A 93 0.131 -18.744 -2.355 1.00 0.00 N ATOM 1412 CA ALA A 93 -0.982 -19.363 -1.645 1.00 0.00 C ATOM 1413 C ALA A 93 -2.316 -18.782 -2.101 1.00 0.00 C ATOM 1414 O ALA A 93 -2.360 -17.908 -2.967 1.00 0.00 O ATOM 1415 CB ALA A 93 -0.813 -19.188 -0.143 1.00 0.00 C ATOM 0 H ALA A 93 -0.062 -17.806 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.981 -20.428 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.651 -19.655 0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.117 -19.658 0.176 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.784 -18.125 0.099 1.00 0.00 H new ATOM 1421 N SER A 94 -3.402 -19.273 -1.512 1.00 0.00 N ATOM 1422 CA SER A 94 -4.738 -18.805 -1.861 1.00 0.00 C ATOM 1423 C SER A 94 -5.371 -18.051 -0.696 1.00 0.00 C ATOM 1424 O SER A 94 -6.107 -18.629 0.105 1.00 0.00 O ATOM 1425 CB SER A 94 -5.626 -19.984 -2.264 1.00 0.00 C ATOM 1426 OG SER A 94 -5.832 -20.863 -1.172 1.00 0.00 O ATOM 0 H SER A 94 -3.383 -19.994 -0.791 1.00 0.00 H new ATOM 0 HA SER A 94 -4.648 -18.123 -2.706 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.586 -19.614 -2.623 1.00 0.00 H new ATOM 0 HB3 SER A 94 -5.164 -20.526 -3.089 1.00 0.00 H new ATOM 0 HG SER A 94 -5.996 -20.341 -0.359 1.00 0.00 H new ATOM 1432 N TYR A 95 -5.080 -16.759 -0.607 1.00 0.00 N ATOM 1433 CA TYR A 95 -5.618 -15.925 0.462 1.00 0.00 C ATOM 1434 C TYR A 95 -7.105 -15.660 0.249 1.00 0.00 C ATOM 1435 O TYR A 95 -7.555 -15.444 -0.876 1.00 0.00 O ATOM 1436 CB TYR A 95 -4.857 -14.600 0.536 1.00 0.00 C ATOM 1437 CG TYR A 95 -4.597 -13.975 -0.816 1.00 0.00 C ATOM 1438 CD1 TYR A 95 -5.542 -13.152 -1.415 1.00 0.00 C ATOM 1439 CD2 TYR A 95 -3.407 -14.209 -1.494 1.00 0.00 C ATOM 1440 CE1 TYR A 95 -5.309 -12.579 -2.651 1.00 0.00 C ATOM 1441 CE2 TYR A 95 -3.165 -13.639 -2.728 1.00 0.00 C ATOM 1442 CZ TYR A 95 -4.119 -12.825 -3.303 1.00 0.00 C ATOM 1443 OH TYR A 95 -3.882 -12.256 -4.534 1.00 0.00 O ATOM 0 H TYR A 95 -4.474 -16.265 -1.262 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.494 -16.460 1.404 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.424 -13.899 1.148 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.905 -14.765 1.040 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.474 -12.957 -0.906 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.659 -14.848 -1.048 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.055 -11.942 -3.104 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.234 -13.829 -3.241 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.979 -12.490 -4.834 1.00 0.00 H new ATOM 1453 N LYS A 96 -7.864 -15.677 1.340 1.00 0.00 N ATOM 1454 CA LYS A 96 -9.301 -15.436 1.276 1.00 0.00 C ATOM 1455 C LYS A 96 -9.603 -13.941 1.281 1.00 0.00 C ATOM 1456 O LYS A 96 -10.437 -13.465 0.513 1.00 0.00 O ATOM 1457 CB LYS A 96 -10.005 -16.113 2.455 1.00 0.00 C ATOM 1458 CG LYS A 96 -11.428 -16.544 2.147 1.00 0.00 C ATOM 1459 CD LYS A 96 -11.854 -17.721 3.009 1.00 0.00 C ATOM 1460 CE LYS A 96 -12.091 -17.299 4.450 1.00 0.00 C ATOM 1461 NZ LYS A 96 -12.693 -18.396 5.258 1.00 0.00 N ATOM 0 H LYS A 96 -7.508 -15.855 2.279 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.674 -15.861 0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.428 -16.986 2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.017 -15.428 3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.106 -15.707 2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.507 -16.816 1.094 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.765 -18.160 2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.086 -18.494 2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.146 -16.994 4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.749 -16.430 4.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.839 -18.068 6.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.607 -18.670 4.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.054 -19.216 5.260 1.00 0.00 H new ATOM 1475 N ASN A 97 -8.918 -13.206 2.151 1.00 0.00 N ATOM 1476 CA ASN A 97 -9.113 -11.765 2.255 1.00 0.00 C ATOM 1477 C ASN A 97 -7.868 -11.087 2.819 1.00 0.00 C ATOM 1478 O ASN A 97 -7.369 -11.464 3.881 1.00 0.00 O ATOM 1479 CB ASN A 97 -10.321 -11.455 3.140 1.00 0.00 C ATOM 1480 CG ASN A 97 -11.480 -12.400 2.887 1.00 0.00 C ATOM 1481 OD1 ASN A 97 -12.267 -12.110 1.857 1.00 0.00 O flip ATOM 1482 ND2 ASN A 97 -11.666 -13.380 3.610 1.00 0.00 N flip ATOM 0 H ASN A 97 -8.223 -13.585 2.794 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.296 -11.375 1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.026 -11.518 4.188 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.646 -10.430 2.961 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.036 -13.565 4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.450 -14.007 3.428 1.00 0.00 H new ATOM 1489 N LEU A 98 -7.371 -10.084 2.103 1.00 0.00 N ATOM 1490 CA LEU A 98 -6.184 -9.352 2.532 1.00 0.00 C ATOM 1491 C LEU A 98 -6.519 -7.891 2.816 1.00 0.00 C ATOM 1492 O LEU A 98 -7.495 -7.353 2.292 1.00 0.00 O ATOM 1493 CB LEU A 98 -5.093 -9.439 1.464 1.00 0.00 C ATOM 1494 CG LEU A 98 -4.521 -10.833 1.201 1.00 0.00 C ATOM 1495 CD1 LEU A 98 -3.574 -10.806 0.011 1.00 0.00 C ATOM 1496 CD2 LEU A 98 -3.810 -11.360 2.439 1.00 0.00 C ATOM 0 H LEU A 98 -7.771 -9.759 1.223 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.819 -9.808 3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.496 -9.051 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.274 -8.781 1.755 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.347 -11.505 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.177 -11.806 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.113 -10.472 -0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.752 -10.120 0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.409 -12.353 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.994 -10.687 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.516 -11.418 3.267 1.00 0.00 H new ATOM 1508 N LYS A 99 -5.702 -7.253 3.646 1.00 0.00 N ATOM 1509 CA LYS A 99 -5.907 -5.853 3.997 1.00 0.00 C ATOM 1510 C LYS A 99 -4.736 -4.996 3.526 1.00 0.00 C ATOM 1511 O LYS A 99 -3.588 -5.440 3.529 1.00 0.00 O ATOM 1512 CB LYS A 99 -6.085 -5.706 5.510 1.00 0.00 C ATOM 1513 CG LYS A 99 -6.620 -4.348 5.931 1.00 0.00 C ATOM 1514 CD LYS A 99 -6.536 -4.157 7.436 1.00 0.00 C ATOM 1515 CE LYS A 99 -7.702 -4.824 8.148 1.00 0.00 C ATOM 1516 NZ LYS A 99 -7.512 -4.843 9.625 1.00 0.00 N ATOM 0 H LYS A 99 -4.890 -7.684 4.089 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.811 -5.508 3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.765 -6.481 5.864 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.126 -5.876 5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.053 -3.562 5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.656 -4.248 5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.598 -4.572 7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.527 -3.092 7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.625 -4.296 7.907 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.814 -5.845 7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.328 -5.306 10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.645 -5.369 9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.430 -3.868 9.977 1.00 0.00 H new ATOM 1530 N VAL A 100 -5.034 -3.764 3.124 1.00 0.00 N ATOM 1531 CA VAL A 100 -4.006 -2.844 2.653 1.00 0.00 C ATOM 1532 C VAL A 100 -3.946 -1.595 3.524 1.00 0.00 C ATOM 1533 O VAL A 100 -4.976 -1.063 3.935 1.00 0.00 O ATOM 1534 CB VAL A 100 -4.253 -2.427 1.191 1.00 0.00 C ATOM 1535 CG1 VAL A 100 -3.139 -1.515 0.701 1.00 0.00 C ATOM 1536 CG2 VAL A 100 -4.380 -3.654 0.301 1.00 0.00 C ATOM 0 H VAL A 100 -5.979 -3.381 3.115 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.055 -3.373 2.716 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.191 -1.874 1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.330 -1.231 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.102 -0.620 1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.186 -2.040 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.554 -3.340 -0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.461 -4.237 0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.216 -4.265 0.641 1.00 0.00 H new ATOM 1546 N GLU A 101 -2.731 -1.131 3.801 1.00 0.00 N ATOM 1547 CA GLU A 101 -2.537 0.057 4.624 1.00 0.00 C ATOM 1548 C GLU A 101 -1.379 0.900 4.098 1.00 0.00 C ATOM 1549 O GLU A 101 -0.224 0.475 4.128 1.00 0.00 O ATOM 1550 CB GLU A 101 -2.273 -0.340 6.078 1.00 0.00 C ATOM 1551 CG GLU A 101 -3.537 -0.473 6.912 1.00 0.00 C ATOM 1552 CD GLU A 101 -3.247 -0.597 8.395 1.00 0.00 C ATOM 1553 OE1 GLU A 101 -2.996 -1.730 8.857 1.00 0.00 O ATOM 1554 OE2 GLU A 101 -3.271 0.437 9.093 1.00 0.00 O ATOM 0 H GLU A 101 -1.867 -1.559 3.468 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.449 0.653 4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.735 -1.288 6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.622 0.404 6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.173 0.395 6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.096 -1.348 6.581 1.00 0.00 H new ATOM 1561 N ILE A 102 -1.698 2.097 3.617 1.00 0.00 N ATOM 1562 CA ILE A 102 -0.685 3.000 3.084 1.00 0.00 C ATOM 1563 C ILE A 102 -0.514 4.223 3.980 1.00 0.00 C ATOM 1564 O ILE A 102 -1.462 4.972 4.215 1.00 0.00 O ATOM 1565 CB ILE A 102 -1.040 3.467 1.660 1.00 0.00 C ATOM 1566 CG1 ILE A 102 -1.511 2.282 0.814 1.00 0.00 C ATOM 1567 CG2 ILE A 102 0.157 4.146 1.012 1.00 0.00 C ATOM 1568 CD1 ILE A 102 -3.004 2.050 0.878 1.00 0.00 C ATOM 0 H ILE A 102 -2.649 2.464 3.585 1.00 0.00 H new ATOM 0 HA ILE A 102 0.251 2.442 3.052 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.853 4.190 1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.222 2.449 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.997 1.381 1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.109 4.471 0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.451 5.011 1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.989 3.444 0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.266 1.195 0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.298 1.851 1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.526 2.936 0.516 1.00 0.00 H new ATOM 1580 N LYS A 103 0.703 4.419 4.476 1.00 0.00 N ATOM 1581 CA LYS A 103 1.002 5.553 5.344 1.00 0.00 C ATOM 1582 C LYS A 103 2.272 6.265 4.890 1.00 0.00 C ATOM 1583 O LYS A 103 3.088 5.697 4.164 1.00 0.00 O ATOM 1584 CB LYS A 103 1.156 5.085 6.793 1.00 0.00 C ATOM 1585 CG LYS A 103 -0.167 4.845 7.498 1.00 0.00 C ATOM 1586 CD LYS A 103 0.000 3.928 8.699 1.00 0.00 C ATOM 1587 CE LYS A 103 -0.006 2.464 8.287 1.00 0.00 C ATOM 1588 NZ LYS A 103 1.322 2.026 7.775 1.00 0.00 N ATOM 0 H LYS A 103 1.498 3.808 4.292 1.00 0.00 H new ATOM 0 HA LYS A 103 0.171 6.256 5.282 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.739 4.164 6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.724 5.831 7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.586 5.798 7.822 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.878 4.405 6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.935 4.160 9.208 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.804 4.110 9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.287 1.848 9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.762 2.306 7.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.442 1.008 7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.379 2.212 6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.074 2.552 8.265 1.00 0.00 H new ATOM 1602 N PHE A 104 2.434 7.510 5.324 1.00 0.00 N ATOM 1603 CA PHE A 104 3.606 8.299 4.963 1.00 0.00 C ATOM 1604 C PHE A 104 4.179 9.012 6.185 1.00 0.00 C ATOM 1605 O PHE A 104 3.674 10.055 6.601 1.00 0.00 O ATOM 1606 CB PHE A 104 3.245 9.323 3.884 1.00 0.00 C ATOM 1607 CG PHE A 104 4.116 10.546 3.903 1.00 0.00 C ATOM 1608 CD1 PHE A 104 5.497 10.431 3.871 1.00 0.00 C ATOM 1609 CD2 PHE A 104 3.555 11.812 3.954 1.00 0.00 C ATOM 1610 CE1 PHE A 104 6.301 11.555 3.888 1.00 0.00 C ATOM 1611 CE2 PHE A 104 4.354 12.939 3.970 1.00 0.00 C ATOM 1612 CZ PHE A 104 5.729 12.810 3.938 1.00 0.00 C ATOM 0 H PHE A 104 1.769 7.995 5.926 1.00 0.00 H new ATOM 0 HA PHE A 104 4.364 7.620 4.571 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.319 8.849 2.905 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.206 9.625 4.014 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.950 9.451 3.832 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.481 11.919 3.982 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.376 11.451 3.862 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.904 13.920 4.007 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.355 13.690 3.952 1.00 0.00 H new ATOM 1622 N GLN A 105 5.236 8.441 6.754 1.00 0.00 N ATOM 1623 CA GLN A 105 5.877 9.021 7.928 1.00 0.00 C ATOM 1624 C GLN A 105 4.906 9.085 9.102 1.00 0.00 C ATOM 1625 O GLN A 105 4.978 9.991 9.931 1.00 0.00 O ATOM 1626 CB GLN A 105 6.403 10.422 7.609 1.00 0.00 C ATOM 1627 CG GLN A 105 7.830 10.432 7.085 1.00 0.00 C ATOM 1628 CD GLN A 105 8.495 11.787 7.226 1.00 0.00 C ATOM 1629 OE1 GLN A 105 8.589 12.333 8.326 1.00 0.00 O ATOM 1630 NE2 GLN A 105 8.960 12.337 6.111 1.00 0.00 N ATOM 0 H GLN A 105 5.666 7.578 6.421 1.00 0.00 H new ATOM 0 HA GLN A 105 6.714 8.381 8.207 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.750 10.886 6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.351 11.034 8.509 1.00 0.00 H new ATOM 0 HG2 GLN A 105 8.416 9.687 7.623 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.829 10.140 6.035 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.860 11.848 5.221 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.417 13.248 6.144 1.00 0.00 H new ATOM 1639 N GLY A 106 3.998 8.116 9.166 1.00 0.00 N ATOM 1640 CA GLY A 106 3.025 8.082 10.243 1.00 0.00 C ATOM 1641 C GLY A 106 1.762 8.849 9.907 1.00 0.00 C ATOM 1642 O GLY A 106 1.107 9.396 10.795 1.00 0.00 O ATOM 0 H GLY A 106 3.919 7.354 8.492 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.769 7.046 10.465 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.471 8.500 11.145 1.00 0.00 H new ATOM 1646 N GLN A 107 1.420 8.892 8.624 1.00 0.00 N ATOM 1647 CA GLN A 107 0.228 9.601 8.174 1.00 0.00 C ATOM 1648 C GLN A 107 -0.404 8.899 6.977 1.00 0.00 C ATOM 1649 O GLN A 107 0.142 8.918 5.873 1.00 0.00 O ATOM 1650 CB GLN A 107 0.575 11.045 7.808 1.00 0.00 C ATOM 1651 CG GLN A 107 0.998 11.890 9.000 1.00 0.00 C ATOM 1652 CD GLN A 107 1.749 13.141 8.591 1.00 0.00 C ATOM 1653 OE1 GLN A 107 1.160 14.212 8.440 1.00 0.00 O ATOM 1654 NE2 GLN A 107 3.059 13.013 8.409 1.00 0.00 N ATOM 0 H GLN A 107 1.951 8.444 7.877 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.492 9.604 8.992 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.379 11.041 7.072 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.290 11.509 7.333 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.114 12.172 9.572 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.627 11.292 9.659 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.507 12.107 8.545 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.617 13.821 8.133 1.00 0.00 H new ATOM 1663 N HIS A 108 -1.558 8.279 7.202 1.00 0.00 N ATOM 1664 CA HIS A 108 -2.265 7.570 6.141 1.00 0.00 C ATOM 1665 C HIS A 108 -2.430 8.457 4.911 1.00 0.00 C ATOM 1666 O HIS A 108 -2.529 9.679 5.024 1.00 0.00 O ATOM 1667 CB HIS A 108 -3.635 7.103 6.636 1.00 0.00 C ATOM 1668 CG HIS A 108 -3.566 5.962 7.603 1.00 0.00 C ATOM 1669 ND1 HIS A 108 -4.299 4.804 7.454 1.00 0.00 N ATOM 1670 CD2 HIS A 108 -2.843 5.806 8.737 1.00 0.00 C ATOM 1671 CE1 HIS A 108 -4.031 3.985 8.456 1.00 0.00 C ATOM 1672 NE2 HIS A 108 -3.150 4.569 9.248 1.00 0.00 N ATOM 0 H HIS A 108 -2.023 8.253 8.109 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.672 6.699 5.862 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.145 7.941 7.111 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.240 6.806 5.779 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -2.153 6.521 9.161 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -4.460 3.005 8.602 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -2.761 4.167 10.101 1.00 0.00 H new ATOM 1681 N VAL A 109 -2.458 7.834 3.737 1.00 0.00 N ATOM 1682 CA VAL A 109 -2.611 8.567 2.486 1.00 0.00 C ATOM 1683 C VAL A 109 -3.989 8.334 1.878 1.00 0.00 C ATOM 1684 O VAL A 109 -4.635 9.267 1.403 1.00 0.00 O ATOM 1685 CB VAL A 109 -1.534 8.161 1.463 1.00 0.00 C ATOM 1686 CG1 VAL A 109 -1.788 8.838 0.124 1.00 0.00 C ATOM 1687 CG2 VAL A 109 -0.147 8.500 1.987 1.00 0.00 C ATOM 0 H VAL A 109 -2.377 6.823 3.626 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.496 9.625 2.722 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.587 7.083 1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.017 8.540 -0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.766 8.540 -0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.763 9.920 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.602 8.206 1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.078 9.573 2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.031 7.964 2.919 1.00 0.00 H new ATOM 1697 N ALA A 110 -4.434 7.082 1.897 1.00 0.00 N ATOM 1698 CA ALA A 110 -5.737 6.725 1.349 1.00 0.00 C ATOM 1699 C ALA A 110 -6.753 6.487 2.461 1.00 0.00 C ATOM 1700 O ALA A 110 -6.466 6.710 3.637 1.00 0.00 O ATOM 1701 CB ALA A 110 -5.619 5.492 0.466 1.00 0.00 C ATOM 0 H ALA A 110 -3.911 6.297 2.286 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.090 7.559 0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.600 5.237 0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.932 5.697 -0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.241 4.657 1.056 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.943 6.034 2.081 1.00 0.00 N ATOM 1708 CA LYS A 111 -9.003 5.766 3.045 1.00 0.00 C ATOM 1709 C LYS A 111 -8.679 4.531 3.880 1.00 0.00 C ATOM 1710 O LYS A 111 -9.468 4.120 4.731 1.00 0.00 O ATOM 1711 CB LYS A 111 -10.339 5.571 2.324 1.00 0.00 C ATOM 1712 CG LYS A 111 -11.006 6.873 1.917 1.00 0.00 C ATOM 1713 CD LYS A 111 -11.791 7.481 3.068 1.00 0.00 C ATOM 1714 CE LYS A 111 -12.932 8.352 2.566 1.00 0.00 C ATOM 1715 NZ LYS A 111 -13.343 9.365 3.577 1.00 0.00 N ATOM 0 H LYS A 111 -8.197 5.845 1.112 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.079 6.625 3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.177 4.962 1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -11.015 5.014 2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.249 7.580 1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.674 6.693 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -12.189 6.686 3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.123 8.077 3.690 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.627 8.857 1.649 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -13.786 7.723 2.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.123 9.938 3.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -13.658 8.883 4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -12.536 9.982 3.798 1.00 0.00 H new ATOM 1729 N SER A 112 -7.513 3.944 3.632 1.00 0.00 N ATOM 1730 CA SER A 112 -7.085 2.754 4.359 1.00 0.00 C ATOM 1731 C SER A 112 -7.503 2.834 5.824 1.00 0.00 C ATOM 1732 O SER A 112 -7.671 3.914 6.390 1.00 0.00 O ATOM 1733 CB SER A 112 -5.568 2.586 4.258 1.00 0.00 C ATOM 1734 OG SER A 112 -5.041 1.992 5.431 1.00 0.00 O ATOM 0 H SER A 112 -6.847 4.273 2.933 1.00 0.00 H new ATOM 0 HA SER A 112 -7.569 1.888 3.907 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.324 1.969 3.393 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.101 3.558 4.098 1.00 0.00 H new ATOM 0 HG SER A 112 -4.797 2.693 6.071 1.00 0.00 H new ATOM 1740 N PRO A 113 -7.675 1.663 6.454 1.00 0.00 N ATOM 1741 CA PRO A 113 -7.479 0.370 5.790 1.00 0.00 C ATOM 1742 C PRO A 113 -8.558 0.082 4.752 1.00 0.00 C ATOM 1743 O PRO A 113 -9.672 0.599 4.840 1.00 0.00 O ATOM 1744 CB PRO A 113 -7.562 -0.636 6.941 1.00 0.00 C ATOM 1745 CG PRO A 113 -8.388 0.043 7.979 1.00 0.00 C ATOM 1746 CD PRO A 113 -8.075 1.509 7.863 1.00 0.00 C ATOM 0 HA PRO A 113 -6.539 0.333 5.240 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -8.022 -1.570 6.618 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -6.571 -0.883 7.323 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -9.450 -0.143 7.817 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -8.148 -0.330 8.975 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.941 2.125 8.104 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -7.275 1.804 8.542 1.00 0.00 H new ATOM 1754 N TYR A 114 -8.220 -0.746 3.770 1.00 0.00 N ATOM 1755 CA TYR A 114 -9.160 -1.101 2.713 1.00 0.00 C ATOM 1756 C TYR A 114 -9.612 -2.552 2.851 1.00 0.00 C ATOM 1757 O TYR A 114 -8.843 -3.479 2.597 1.00 0.00 O ATOM 1758 CB TYR A 114 -8.523 -0.882 1.340 1.00 0.00 C ATOM 1759 CG TYR A 114 -8.622 0.544 0.847 1.00 0.00 C ATOM 1760 CD1 TYR A 114 -9.854 1.175 0.728 1.00 0.00 C ATOM 1761 CD2 TYR A 114 -7.483 1.261 0.500 1.00 0.00 C ATOM 1762 CE1 TYR A 114 -9.950 2.477 0.277 1.00 0.00 C ATOM 1763 CE2 TYR A 114 -7.569 2.564 0.050 1.00 0.00 C ATOM 1764 CZ TYR A 114 -8.804 3.168 -0.060 1.00 0.00 C ATOM 1765 OH TYR A 114 -8.894 4.465 -0.509 1.00 0.00 O ATOM 0 H TYR A 114 -7.303 -1.184 3.684 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.034 -0.456 2.807 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.473 -1.169 1.386 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.003 -1.542 0.617 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.753 0.638 0.993 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.514 0.791 0.584 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.916 2.951 0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -6.674 3.107 -0.214 1.00 0.00 H new ATOM 0 HH TYR A 114 -9.821 4.662 -0.757 1.00 0.00 H new ATOM 1775 N ILE A 115 -10.864 -2.739 3.254 1.00 0.00 N ATOM 1776 CA ILE A 115 -11.420 -4.075 3.424 1.00 0.00 C ATOM 1777 C ILE A 115 -12.101 -4.554 2.146 1.00 0.00 C ATOM 1778 O ILE A 115 -12.996 -3.891 1.620 1.00 0.00 O ATOM 1779 CB ILE A 115 -12.435 -4.120 4.581 1.00 0.00 C ATOM 1780 CG1 ILE A 115 -11.827 -3.510 5.846 1.00 0.00 C ATOM 1781 CG2 ILE A 115 -12.882 -5.551 4.839 1.00 0.00 C ATOM 1782 CD1 ILE A 115 -10.640 -4.282 6.378 1.00 0.00 C ATOM 0 H ILE A 115 -11.513 -1.982 3.469 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.586 -4.736 3.658 1.00 0.00 H new ATOM 0 HB ILE A 115 -13.309 -3.532 4.300 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.519 -2.486 5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.593 -3.459 6.620 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -13.599 -5.566 5.660 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -13.350 -5.954 3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -12.017 -6.160 5.102 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.260 -3.793 7.275 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.947 -5.299 6.622 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.856 -4.311 5.621 1.00 0.00 H new ATOM 1794 N LEU A 116 -11.673 -5.711 1.652 1.00 0.00 N ATOM 1795 CA LEU A 116 -12.243 -6.281 0.436 1.00 0.00 C ATOM 1796 C LEU A 116 -12.572 -7.758 0.630 1.00 0.00 C ATOM 1797 O LEU A 116 -11.697 -8.618 0.532 1.00 0.00 O ATOM 1798 CB LEU A 116 -11.272 -6.112 -0.733 1.00 0.00 C ATOM 1799 CG LEU A 116 -10.770 -4.691 -0.989 1.00 0.00 C ATOM 1800 CD1 LEU A 116 -9.528 -4.405 -0.158 1.00 0.00 C ATOM 1801 CD2 LEU A 116 -10.482 -4.485 -2.469 1.00 0.00 C ATOM 0 H LEU A 116 -10.934 -6.272 2.075 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.167 -5.748 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.409 -6.755 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.759 -6.472 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 116 -11.551 -3.992 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.185 -3.389 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.766 -4.510 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.741 -5.111 -0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -10.126 -3.468 -2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -9.719 -5.193 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.394 -4.646 -3.043 1.00 0.00 H new ATOM 1813 N LYS A 117 -13.840 -8.045 0.903 1.00 0.00 N ATOM 1814 CA LYS A 117 -14.287 -9.418 1.107 1.00 0.00 C ATOM 1815 C LYS A 117 -15.450 -9.755 0.179 1.00 0.00 C ATOM 1816 O LYS A 117 -16.017 -8.874 -0.466 1.00 0.00 O ATOM 1817 CB LYS A 117 -14.706 -9.629 2.564 1.00 0.00 C ATOM 1818 CG LYS A 117 -15.860 -8.743 2.999 1.00 0.00 C ATOM 1819 CD LYS A 117 -15.373 -7.379 3.461 1.00 0.00 C ATOM 1820 CE LYS A 117 -16.462 -6.326 3.332 1.00 0.00 C ATOM 1821 NZ LYS A 117 -17.469 -6.431 4.425 1.00 0.00 N ATOM 0 H LYS A 117 -14.577 -7.345 0.988 1.00 0.00 H new ATOM 0 HA LYS A 117 -13.455 -10.083 0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -14.987 -10.673 2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -13.849 -9.439 3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -16.558 -8.620 2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -16.407 -9.228 3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -15.046 -7.441 4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -14.506 -7.082 2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -16.011 -5.334 3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -16.960 -6.435 2.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -18.194 -5.696 4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -17.918 -7.369 4.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -16.999 -6.302 5.344 1.00 0.00 H new ATOM 1835 N GLY A 118 -15.802 -11.035 0.118 1.00 0.00 N ATOM 1836 CA GLY A 118 -16.896 -11.465 -0.732 1.00 0.00 C ATOM 1837 C GLY A 118 -18.223 -11.491 0.000 1.00 0.00 C ATOM 1838 O GLY A 118 -18.268 -11.364 1.224 1.00 0.00 O ATOM 0 H GLY A 118 -15.348 -11.783 0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -16.971 -10.796 -1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -16.680 -12.460 -1.122 1.00 0.00 H new ATOM 1842 N SER A 119 -19.308 -11.655 -0.750 1.00 0.00 N ATOM 1843 CA SER A 119 -20.644 -11.692 -0.166 1.00 0.00 C ATOM 1844 C SER A 119 -20.991 -13.100 0.309 1.00 0.00 C ATOM 1845 O SER A 119 -20.389 -14.080 -0.128 1.00 0.00 O ATOM 1846 CB SER A 119 -21.682 -11.214 -1.183 1.00 0.00 C ATOM 1847 OG SER A 119 -22.815 -10.664 -0.534 1.00 0.00 O ATOM 0 H SER A 119 -19.288 -11.764 -1.764 1.00 0.00 H new ATOM 0 HA SER A 119 -20.655 -11.024 0.695 1.00 0.00 H new ATOM 0 HB2 SER A 119 -21.236 -10.466 -1.839 1.00 0.00 H new ATOM 0 HB3 SER A 119 -21.989 -12.048 -1.813 1.00 0.00 H new ATOM 0 HG SER A 119 -23.463 -10.364 -1.205 1.00 0.00 H new ATOM 1853 N GLY A 120 -21.966 -13.191 1.207 1.00 0.00 N ATOM 1854 CA GLY A 120 -22.377 -14.482 1.727 1.00 0.00 C ATOM 1855 C GLY A 120 -23.123 -14.367 3.042 1.00 0.00 C ATOM 1856 O GLY A 120 -22.842 -13.496 3.865 1.00 0.00 O ATOM 0 H GLY A 120 -22.479 -12.394 1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -23.013 -14.980 0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -21.498 -15.111 1.866 1.00 0.00 H new ATOM 1860 N PRO A 121 -24.099 -15.262 3.253 1.00 0.00 N ATOM 1861 CA PRO A 121 -24.909 -15.277 4.475 1.00 0.00 C ATOM 1862 C PRO A 121 -24.107 -15.717 5.696 1.00 0.00 C ATOM 1863 O PRO A 121 -24.260 -15.162 6.783 1.00 0.00 O ATOM 1864 CB PRO A 121 -26.007 -16.295 4.161 1.00 0.00 C ATOM 1865 CG PRO A 121 -25.409 -17.192 3.132 1.00 0.00 C ATOM 1866 CD PRO A 121 -24.489 -16.328 2.315 1.00 0.00 C ATOM 0 HA PRO A 121 -25.288 -14.286 4.725 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -26.297 -16.852 5.052 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -26.905 -15.805 3.785 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -24.863 -18.012 3.599 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -26.182 -17.639 2.507 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -23.623 -16.887 1.959 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -24.992 -15.925 1.436 1.00 0.00 H new ATOM 1874 N SER A 122 -23.253 -16.718 5.507 1.00 0.00 N ATOM 1875 CA SER A 122 -22.430 -17.235 6.594 1.00 0.00 C ATOM 1876 C SER A 122 -23.257 -17.417 7.863 1.00 0.00 C ATOM 1877 O SER A 122 -22.782 -17.161 8.970 1.00 0.00 O ATOM 1878 CB SER A 122 -21.257 -16.291 6.867 1.00 0.00 C ATOM 1879 OG SER A 122 -20.359 -16.264 5.772 1.00 0.00 O ATOM 0 H SER A 122 -23.113 -17.187 4.612 1.00 0.00 H new ATOM 0 HA SER A 122 -22.042 -18.208 6.292 1.00 0.00 H new ATOM 0 HB2 SER A 122 -21.632 -15.286 7.059 1.00 0.00 H new ATOM 0 HB3 SER A 122 -20.730 -16.611 7.766 1.00 0.00 H new ATOM 0 HG SER A 122 -19.619 -15.652 5.970 1.00 0.00 H new ATOM 1885 N SER A 123 -24.499 -17.860 7.694 1.00 0.00 N ATOM 1886 CA SER A 123 -25.395 -18.073 8.825 1.00 0.00 C ATOM 1887 C SER A 123 -25.331 -19.520 9.304 1.00 0.00 C ATOM 1888 O SER A 123 -25.116 -20.438 8.514 1.00 0.00 O ATOM 1889 CB SER A 123 -26.832 -17.714 8.438 1.00 0.00 C ATOM 1890 OG SER A 123 -27.615 -17.440 9.587 1.00 0.00 O ATOM 0 H SER A 123 -24.908 -18.078 6.785 1.00 0.00 H new ATOM 0 HA SER A 123 -25.073 -17.425 9.640 1.00 0.00 H new ATOM 0 HB2 SER A 123 -26.829 -16.845 7.780 1.00 0.00 H new ATOM 0 HB3 SER A 123 -27.278 -18.536 7.878 1.00 0.00 H new ATOM 0 HG SER A 123 -28.528 -17.212 9.314 1.00 0.00 H new ATOM 1896 N GLY A 124 -25.521 -19.715 10.605 1.00 0.00 N ATOM 1897 CA GLY A 124 -25.481 -21.052 11.169 1.00 0.00 C ATOM 1898 C GLY A 124 -24.905 -21.073 12.571 1.00 0.00 C ATOM 1899 O GLY A 124 -23.939 -21.787 12.841 1.00 0.00 O ATOM 0 H GLY A 124 -25.702 -18.971 11.279 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -26.489 -21.465 11.188 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -24.884 -21.697 10.525 1.00 0.00 H new TER 1903 GLY A 124