USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 606 hydrogens (9 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 32 TYR OH : rot 180:sc= 0.874 USER MOD Set 1.2: A 52 GLN : amide:sc= -8.65! C(o=-7.8!,f=-16!) USER MOD Set 2.1: A 30 SER OG : rot -165:sc= 0.719 USER MOD Set 2.2: A 72 THR OG1 : rot -158:sc= 0.432 USER MOD Set 3.1: A 25 GLN : amide:sc= -6.16! C(o=-6.7!,f=-3.8!) USER MOD Set 3.2: A 68 GLN : amide:sc= -0.53 K(o=-6.7,f=-5.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.194 USER MOD Single : A 9 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-0.54) USER MOD Single : A 13 LYS NZ :NH3+ -154:sc= -1.49! (180deg=-2.37!) USER MOD Single : A 18 TYR OH : rot 36:sc= 1.22 USER MOD Single : A 19 GLN : amide:sc= -16.1! C(o=-16!,f=-21!) USER MOD Single : A 20 LYS NZ :NH3+ 150:sc= 0.0913 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 100:sc= 0.737 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 148:sc= -0.588 (180deg=-2.6!) USER MOD Single : A 47 THR OG1 : rot 170:sc= 0.613 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -2.91! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 143:sc= -0.317 (180deg=-1.88!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.064 -25.982 -9.475 1.00 0.00 N ATOM 2 CA GLY A 1 -20.634 -25.079 -8.369 1.00 0.00 C ATOM 3 C GLY A 1 -19.588 -24.093 -8.892 1.00 0.00 C ATOM 4 O GLY A 1 -18.519 -23.953 -8.331 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.775 -26.652 -9.119 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.476 -25.417 -10.245 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.241 -26.508 -9.834 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.493 -24.538 -7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.219 -25.664 -7.548 1.00 0.00 H new ATOM 7 N ASP A 2 -19.887 -23.409 -9.962 1.00 0.00 N ATOM 8 CA ASP A 2 -18.907 -22.432 -10.519 1.00 0.00 C ATOM 9 C ASP A 2 -19.582 -21.077 -10.746 1.00 0.00 C ATOM 10 O ASP A 2 -20.601 -20.983 -11.401 1.00 0.00 O ATOM 11 CB ASP A 2 -18.457 -23.038 -11.849 1.00 0.00 C ATOM 12 CG ASP A 2 -19.604 -22.963 -12.859 1.00 0.00 C ATOM 13 OD1 ASP A 2 -20.652 -23.523 -12.579 1.00 0.00 O ATOM 14 OD2 ASP A 2 -19.416 -22.346 -13.895 1.00 0.00 O ATOM 0 H ASP A 2 -20.766 -23.484 -10.475 1.00 0.00 H new ATOM 0 HA ASP A 2 -18.068 -22.259 -9.846 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -17.588 -22.502 -12.230 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -18.153 -24.075 -11.704 1.00 0.00 H new ATOM 19 N THR A 3 -19.022 -20.027 -10.211 1.00 0.00 N ATOM 20 CA THR A 3 -19.632 -18.680 -10.398 1.00 0.00 C ATOM 21 C THR A 3 -19.418 -18.196 -11.834 1.00 0.00 C ATOM 22 O THR A 3 -18.301 -18.009 -12.276 1.00 0.00 O ATOM 23 CB THR A 3 -18.898 -17.771 -9.411 1.00 0.00 C ATOM 24 OG1 THR A 3 -19.303 -18.089 -8.086 1.00 0.00 O ATOM 25 CG2 THR A 3 -19.233 -16.310 -9.713 1.00 0.00 C ATOM 0 H THR A 3 -18.169 -20.043 -9.653 1.00 0.00 H new ATOM 0 HA THR A 3 -20.708 -18.687 -10.223 1.00 0.00 H new ATOM 0 HB THR A 3 -17.823 -17.921 -9.509 1.00 0.00 H new ATOM 0 HG1 THR A 3 -18.832 -17.509 -7.452 1.00 0.00 H new ATOM 0 HG21 THR A 3 -18.709 -15.664 -9.009 1.00 0.00 H new ATOM 0 HG22 THR A 3 -18.921 -16.068 -10.729 1.00 0.00 H new ATOM 0 HG23 THR A 3 -20.308 -16.156 -9.617 1.00 0.00 H new ATOM 33 N LEU A 4 -20.479 -17.993 -12.567 1.00 0.00 N ATOM 34 CA LEU A 4 -20.334 -17.523 -13.974 1.00 0.00 C ATOM 35 C LEU A 4 -19.653 -16.151 -14.007 1.00 0.00 C ATOM 36 O LEU A 4 -19.539 -15.480 -13.000 1.00 0.00 O ATOM 37 CB LEU A 4 -21.763 -17.425 -14.507 1.00 0.00 C ATOM 38 CG LEU A 4 -21.823 -18.008 -15.919 1.00 0.00 C ATOM 39 CD1 LEU A 4 -21.486 -19.499 -15.870 1.00 0.00 C ATOM 40 CD2 LEU A 4 -23.232 -17.824 -16.488 1.00 0.00 C ATOM 0 H LEU A 4 -21.439 -18.132 -12.252 1.00 0.00 H new ATOM 0 HA LEU A 4 -19.720 -18.196 -14.573 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -22.445 -17.965 -13.850 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -22.088 -16.385 -14.518 1.00 0.00 H new ATOM 0 HG LEU A 4 -21.103 -17.493 -16.555 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -21.529 -19.915 -16.877 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -20.483 -19.632 -15.465 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -22.206 -20.014 -15.234 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -23.275 -18.240 -17.495 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -23.952 -18.339 -15.852 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -23.474 -16.762 -16.523 1.00 0.00 H new ATOM 52 N GLY A 5 -19.200 -15.730 -15.156 1.00 0.00 N ATOM 53 CA GLY A 5 -18.528 -14.403 -15.250 1.00 0.00 C ATOM 54 C GLY A 5 -17.457 -14.448 -16.341 1.00 0.00 C ATOM 55 O GLY A 5 -17.213 -15.473 -16.943 1.00 0.00 O ATOM 0 H GLY A 5 -19.266 -16.247 -16.033 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -19.260 -13.628 -15.477 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -18.076 -14.144 -14.293 1.00 0.00 H new ATOM 59 N ALA A 6 -16.814 -13.340 -16.600 1.00 0.00 N ATOM 60 CA ALA A 6 -15.759 -13.321 -17.653 1.00 0.00 C ATOM 61 C ALA A 6 -14.554 -14.157 -17.211 1.00 0.00 C ATOM 62 O ALA A 6 -14.384 -14.448 -16.044 1.00 0.00 O ATOM 63 CB ALA A 6 -15.367 -11.850 -17.794 1.00 0.00 C ATOM 0 H ALA A 6 -16.974 -12.450 -16.129 1.00 0.00 H new ATOM 0 HA ALA A 6 -16.109 -13.742 -18.595 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -14.591 -11.751 -18.554 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -16.240 -11.267 -18.089 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.990 -11.481 -16.840 1.00 0.00 H new ATOM 69 N SER A 7 -13.719 -14.545 -18.135 1.00 0.00 N ATOM 70 CA SER A 7 -12.527 -15.363 -17.767 1.00 0.00 C ATOM 71 C SER A 7 -11.380 -14.454 -17.316 1.00 0.00 C ATOM 72 O SER A 7 -10.346 -14.383 -17.950 1.00 0.00 O ATOM 73 CB SER A 7 -12.149 -16.108 -19.046 1.00 0.00 C ATOM 74 OG SER A 7 -12.683 -15.417 -20.168 1.00 0.00 O ATOM 0 H SER A 7 -13.810 -14.332 -19.128 1.00 0.00 H new ATOM 0 HA SER A 7 -12.733 -16.046 -16.943 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.065 -16.180 -19.131 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.535 -17.127 -19.015 1.00 0.00 H new ATOM 0 HG SER A 7 -12.441 -15.892 -20.990 1.00 0.00 H new ATOM 80 N TRP A 8 -11.554 -13.759 -16.226 1.00 0.00 N ATOM 81 CA TRP A 8 -10.473 -12.857 -15.737 1.00 0.00 C ATOM 82 C TRP A 8 -9.163 -13.635 -15.589 1.00 0.00 C ATOM 83 O TRP A 8 -9.017 -14.462 -14.710 1.00 0.00 O ATOM 84 CB TRP A 8 -10.957 -12.359 -14.375 1.00 0.00 C ATOM 85 CG TRP A 8 -11.811 -11.146 -14.563 1.00 0.00 C ATOM 86 CD1 TRP A 8 -11.403 -9.990 -15.134 1.00 0.00 C ATOM 87 CD2 TRP A 8 -13.206 -10.947 -14.189 1.00 0.00 C ATOM 88 NE1 TRP A 8 -12.457 -9.094 -15.136 1.00 0.00 N ATOM 89 CE2 TRP A 8 -13.590 -9.639 -14.565 1.00 0.00 C ATOM 90 CE3 TRP A 8 -14.165 -11.769 -13.569 1.00 0.00 C ATOM 91 CZ2 TRP A 8 -14.880 -9.160 -14.332 1.00 0.00 C ATOM 92 CZ3 TRP A 8 -15.464 -11.291 -13.333 1.00 0.00 C ATOM 93 CH2 TRP A 8 -15.821 -9.989 -13.715 1.00 0.00 C ATOM 0 H TRP A 8 -12.398 -13.776 -15.653 1.00 0.00 H new ATOM 0 HA TRP A 8 -10.279 -12.035 -16.425 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -11.524 -13.141 -13.870 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -10.105 -12.122 -13.739 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -10.415 -9.798 -15.525 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -12.404 -8.148 -15.513 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -13.900 -12.773 -13.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -15.149 -8.156 -14.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -16.192 -11.929 -12.855 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -16.822 -9.628 -13.532 1.00 0.00 H new ATOM 104 N HIS A 9 -8.209 -13.379 -16.440 1.00 0.00 N ATOM 105 CA HIS A 9 -6.910 -14.104 -16.347 1.00 0.00 C ATOM 106 C HIS A 9 -6.441 -14.163 -14.890 1.00 0.00 C ATOM 107 O HIS A 9 -6.637 -13.236 -14.128 1.00 0.00 O ATOM 108 CB HIS A 9 -5.935 -13.283 -17.191 1.00 0.00 C ATOM 109 CG HIS A 9 -6.071 -11.829 -16.840 1.00 0.00 C ATOM 110 ND1 HIS A 9 -6.626 -10.905 -17.713 1.00 0.00 N ATOM 111 CD2 HIS A 9 -5.731 -11.122 -15.713 1.00 0.00 C ATOM 112 CE1 HIS A 9 -6.603 -9.707 -17.103 1.00 0.00 C ATOM 113 NE2 HIS A 9 -6.068 -9.781 -15.881 1.00 0.00 N ATOM 0 H HIS A 9 -8.272 -12.698 -17.197 1.00 0.00 H new ATOM 0 HA HIS A 9 -6.986 -15.133 -16.699 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.913 -13.617 -17.013 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.139 -13.433 -18.251 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -5.272 -11.542 -14.830 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -6.973 -8.795 -17.547 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -5.935 -9.020 -15.215 1.00 0.00 H new ATOM 121 N ARG A 10 -5.824 -15.243 -14.498 1.00 0.00 N ATOM 122 CA ARG A 10 -5.345 -15.357 -13.090 1.00 0.00 C ATOM 123 C ARG A 10 -6.487 -15.048 -12.118 1.00 0.00 C ATOM 124 O ARG A 10 -6.825 -13.902 -11.899 1.00 0.00 O ATOM 125 CB ARG A 10 -4.234 -14.313 -12.964 1.00 0.00 C ATOM 126 CG ARG A 10 -3.125 -14.626 -13.968 1.00 0.00 C ATOM 127 CD ARG A 10 -2.273 -13.376 -14.197 1.00 0.00 C ATOM 128 NE ARG A 10 -0.888 -13.783 -13.833 1.00 0.00 N ATOM 129 CZ ARG A 10 0.122 -13.017 -14.146 1.00 0.00 C ATOM 130 NH1 ARG A 10 -0.023 -11.720 -14.158 1.00 0.00 N ATOM 131 NH2 ARG A 10 1.276 -13.549 -14.445 1.00 0.00 N ATOM 0 H ARG A 10 -5.631 -16.051 -15.090 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.989 -16.360 -12.853 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.635 -13.316 -13.147 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.833 -14.314 -11.951 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.502 -15.440 -13.596 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.558 -14.961 -14.911 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.328 -13.045 -15.234 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.616 -12.546 -13.579 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.728 -14.661 -13.339 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.925 -11.305 -13.923 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.766 -11.121 -14.402 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.388 -14.563 -14.434 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.065 -12.951 -14.690 1.00 0.00 H new ATOM 145 N PRO A 11 -7.046 -16.092 -11.569 1.00 0.00 N ATOM 146 CA PRO A 11 -8.168 -15.942 -10.611 1.00 0.00 C ATOM 147 C PRO A 11 -7.663 -15.395 -9.272 1.00 0.00 C ATOM 148 O PRO A 11 -7.852 -15.996 -8.233 1.00 0.00 O ATOM 149 CB PRO A 11 -8.697 -17.365 -10.453 1.00 0.00 C ATOM 150 CG PRO A 11 -7.540 -18.249 -10.797 1.00 0.00 C ATOM 151 CD PRO A 11 -6.689 -17.498 -11.789 1.00 0.00 C ATOM 0 HA PRO A 11 -8.932 -15.244 -10.953 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.043 -17.547 -9.436 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.543 -17.547 -11.115 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.965 -18.495 -9.905 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.888 -19.190 -11.222 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.627 -17.672 -11.616 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.901 -17.808 -12.812 1.00 0.00 H new ATOM 159 N ASP A 12 -7.025 -14.256 -9.288 1.00 0.00 N ATOM 160 CA ASP A 12 -6.513 -13.669 -8.017 1.00 0.00 C ATOM 161 C ASP A 12 -7.139 -12.290 -7.788 1.00 0.00 C ATOM 162 O ASP A 12 -6.450 -11.307 -7.604 1.00 0.00 O ATOM 163 CB ASP A 12 -5.001 -13.545 -8.218 1.00 0.00 C ATOM 164 CG ASP A 12 -4.345 -14.912 -8.021 1.00 0.00 C ATOM 165 OD1 ASP A 12 -4.894 -15.710 -7.280 1.00 0.00 O ATOM 166 OD2 ASP A 12 -3.304 -15.138 -8.616 1.00 0.00 O ATOM 0 H ASP A 12 -6.836 -13.707 -10.126 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.758 -14.280 -7.149 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.786 -13.168 -9.218 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.587 -12.826 -7.511 1.00 0.00 H new ATOM 171 N LYS A 13 -8.442 -12.212 -7.804 1.00 0.00 N ATOM 172 CA LYS A 13 -9.113 -10.897 -7.592 1.00 0.00 C ATOM 173 C LYS A 13 -9.239 -10.597 -6.097 1.00 0.00 C ATOM 174 O LYS A 13 -10.300 -10.265 -5.607 1.00 0.00 O ATOM 175 CB LYS A 13 -10.496 -11.054 -8.224 1.00 0.00 C ATOM 176 CG LYS A 13 -10.662 -10.032 -9.351 1.00 0.00 C ATOM 177 CD LYS A 13 -12.151 -9.805 -9.620 1.00 0.00 C ATOM 178 CE LYS A 13 -12.867 -11.155 -9.710 1.00 0.00 C ATOM 179 NZ LYS A 13 -13.706 -11.063 -10.937 1.00 0.00 N ATOM 0 H LYS A 13 -9.071 -13.001 -7.955 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.552 -10.073 -8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.616 -12.064 -8.615 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.270 -10.909 -7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.184 -9.092 -9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.169 -10.389 -10.255 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.587 -9.203 -8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.283 -9.249 -10.548 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.154 -11.976 -9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.478 -11.338 -8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.521 -11.704 -10.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.044 -10.087 -11.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.140 -11.335 -11.766 1.00 0.00 H new ATOM 193 N CYS A 14 -8.164 -10.706 -5.366 1.00 0.00 N ATOM 194 CA CYS A 14 -8.226 -10.422 -3.903 1.00 0.00 C ATOM 195 C CYS A 14 -7.067 -9.517 -3.484 1.00 0.00 C ATOM 196 O CYS A 14 -7.211 -8.315 -3.384 1.00 0.00 O ATOM 197 CB CYS A 14 -8.120 -11.786 -3.222 1.00 0.00 C ATOM 198 SG CYS A 14 -9.779 -12.468 -2.984 1.00 0.00 S ATOM 0 H CYS A 14 -7.246 -10.979 -5.717 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.144 -9.903 -3.627 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.520 -12.463 -3.830 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.614 -11.687 -2.262 1.00 0.00 H new ATOM 203 N CYS A 15 -5.920 -10.083 -3.229 1.00 0.00 N ATOM 204 CA CYS A 15 -4.763 -9.243 -2.807 1.00 0.00 C ATOM 205 C CYS A 15 -3.518 -10.107 -2.584 1.00 0.00 C ATOM 206 O CYS A 15 -3.554 -11.315 -2.707 1.00 0.00 O ATOM 207 CB CYS A 15 -5.209 -8.610 -1.490 1.00 0.00 C ATOM 208 SG CYS A 15 -5.107 -6.811 -1.617 1.00 0.00 S ATOM 0 H CYS A 15 -5.734 -11.084 -3.294 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.498 -8.501 -3.560 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.231 -8.911 -1.258 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.579 -8.963 -0.673 1.00 0.00 H new ATOM 213 N LEU A 16 -2.421 -9.488 -2.241 1.00 0.00 N ATOM 214 CA LEU A 16 -1.167 -10.258 -1.991 1.00 0.00 C ATOM 215 C LEU A 16 -1.152 -10.753 -0.547 1.00 0.00 C ATOM 216 O LEU A 16 -0.120 -11.105 -0.009 1.00 0.00 O ATOM 217 CB LEU A 16 -0.039 -9.251 -2.210 1.00 0.00 C ATOM 218 CG LEU A 16 0.953 -9.806 -3.234 1.00 0.00 C ATOM 219 CD1 LEU A 16 1.680 -8.649 -3.921 1.00 0.00 C ATOM 220 CD2 LEU A 16 1.973 -10.698 -2.523 1.00 0.00 C ATOM 0 H LEU A 16 -2.338 -8.478 -2.123 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.073 -11.128 -2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.447 -8.303 -2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.470 -9.049 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 16 0.415 -10.391 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.387 -9.045 -4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.954 -8.013 -4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.218 -8.063 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.680 -11.094 -3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.510 -10.113 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.456 -11.523 -2.034 1.00 0.00 H new ATOM 232 N GLY A 17 -2.287 -10.761 0.092 1.00 0.00 N ATOM 233 CA GLY A 17 -2.338 -11.204 1.510 1.00 0.00 C ATOM 234 C GLY A 17 -1.889 -10.036 2.382 1.00 0.00 C ATOM 235 O GLY A 17 -2.641 -9.530 3.181 1.00 0.00 O ATOM 0 H GLY A 17 -3.182 -10.479 -0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.349 -11.513 1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.690 -12.067 1.664 1.00 0.00 H new ATOM 239 N TYR A 18 -0.664 -9.611 2.203 1.00 0.00 N ATOM 240 CA TYR A 18 -0.097 -8.462 2.970 1.00 0.00 C ATOM 241 C TYR A 18 1.356 -8.241 2.551 1.00 0.00 C ATOM 242 O TYR A 18 2.165 -9.148 2.576 1.00 0.00 O ATOM 243 CB TYR A 18 -0.183 -8.851 4.443 1.00 0.00 C ATOM 244 CG TYR A 18 -1.487 -8.362 5.047 1.00 0.00 C ATOM 245 CD1 TYR A 18 -2.448 -7.716 4.250 1.00 0.00 C ATOM 246 CD2 TYR A 18 -1.727 -8.547 6.413 1.00 0.00 C ATOM 247 CE1 TYR A 18 -3.642 -7.264 4.823 1.00 0.00 C ATOM 248 CE2 TYR A 18 -2.923 -8.095 6.984 1.00 0.00 C ATOM 249 CZ TYR A 18 -3.880 -7.454 6.189 1.00 0.00 C ATOM 250 OH TYR A 18 -5.059 -7.008 6.752 1.00 0.00 O ATOM 0 H TYR A 18 -0.014 -10.027 1.536 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.639 -7.535 2.783 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.112 -9.934 4.544 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.659 -8.424 4.988 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.265 -7.569 3.196 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.988 -9.039 7.028 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.380 -6.768 4.211 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.107 -8.241 8.038 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.792 -7.124 6.112 1.00 0.00 H new ATOM 260 N GLN A 19 1.692 -7.047 2.157 1.00 0.00 N ATOM 261 CA GLN A 19 3.089 -6.771 1.728 1.00 0.00 C ATOM 262 C GLN A 19 4.077 -7.304 2.767 1.00 0.00 C ATOM 263 O GLN A 19 4.000 -6.988 3.937 1.00 0.00 O ATOM 264 CB GLN A 19 3.177 -5.244 1.608 1.00 0.00 C ATOM 265 CG GLN A 19 4.592 -4.766 1.920 1.00 0.00 C ATOM 266 CD GLN A 19 5.452 -4.898 0.665 1.00 0.00 C ATOM 267 OE1 GLN A 19 6.086 -3.952 0.247 1.00 0.00 O ATOM 268 NE2 GLN A 19 5.504 -6.043 0.047 1.00 0.00 N ATOM 0 H GLN A 19 1.059 -6.249 2.113 1.00 0.00 H new ATOM 0 HA GLN A 19 3.339 -7.259 0.786 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.896 -4.935 0.601 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.469 -4.778 2.294 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.573 -3.729 2.256 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.018 -5.356 2.732 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.970 -6.838 0.400 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.078 -6.145 -0.790 1.00 0.00 H new ATOM 277 N LYS A 20 5.010 -8.106 2.339 1.00 0.00 N ATOM 278 CA LYS A 20 6.016 -8.659 3.291 1.00 0.00 C ATOM 279 C LYS A 20 7.253 -7.759 3.306 1.00 0.00 C ATOM 280 O LYS A 20 7.825 -7.486 4.343 1.00 0.00 O ATOM 281 CB LYS A 20 6.362 -10.045 2.743 1.00 0.00 C ATOM 282 CG LYS A 20 6.538 -11.023 3.906 1.00 0.00 C ATOM 283 CD LYS A 20 5.477 -12.121 3.814 1.00 0.00 C ATOM 284 CE LYS A 20 4.282 -11.753 4.698 1.00 0.00 C ATOM 285 NZ LYS A 20 3.087 -11.969 3.836 1.00 0.00 N ATOM 0 H LYS A 20 5.121 -8.404 1.370 1.00 0.00 H new ATOM 0 HA LYS A 20 5.643 -8.714 4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.572 -10.393 2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.277 -9.997 2.153 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.535 -11.463 3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.449 -10.495 4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.154 -12.243 2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.898 -13.075 4.132 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.244 -12.378 5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.344 -10.718 5.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.276 -12.240 4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.865 -11.091 3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.285 -12.727 3.152 1.00 0.00 H new ATOM 299 N ARG A 21 7.660 -7.287 2.160 1.00 0.00 N ATOM 300 CA ARG A 21 8.848 -6.390 2.099 1.00 0.00 C ATOM 301 C ARG A 21 8.419 -4.951 2.356 1.00 0.00 C ATOM 302 O ARG A 21 7.268 -4.606 2.202 1.00 0.00 O ATOM 303 CB ARG A 21 9.389 -6.544 0.676 1.00 0.00 C ATOM 304 CG ARG A 21 10.384 -7.706 0.632 1.00 0.00 C ATOM 305 CD ARG A 21 11.390 -7.477 -0.498 1.00 0.00 C ATOM 306 NE ARG A 21 10.561 -7.158 -1.692 1.00 0.00 N ATOM 307 CZ ARG A 21 10.984 -6.284 -2.564 1.00 0.00 C ATOM 308 NH1 ARG A 21 10.848 -5.008 -2.329 1.00 0.00 N ATOM 309 NH2 ARG A 21 11.543 -6.687 -3.673 1.00 0.00 N ATOM 0 H ARG A 21 7.220 -7.484 1.261 1.00 0.00 H new ATOM 0 HA ARG A 21 9.601 -6.641 2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.569 -6.727 -0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.876 -5.622 0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.905 -7.788 1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.854 -8.646 0.476 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.071 -6.660 -0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.002 -8.363 -0.667 1.00 0.00 H new ATOM 0 HE ARG A 21 9.663 -7.622 -1.829 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.411 -4.693 -1.463 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.179 -4.326 -3.011 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.649 -7.685 -3.858 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.874 -6.004 -4.355 1.00 0.00 H new ATOM 323 N PRO A 22 9.367 -4.160 2.745 1.00 0.00 N ATOM 324 CA PRO A 22 9.091 -2.735 3.027 1.00 0.00 C ATOM 325 C PRO A 22 8.771 -1.981 1.742 1.00 0.00 C ATOM 326 O PRO A 22 9.419 -2.142 0.727 1.00 0.00 O ATOM 327 CB PRO A 22 10.381 -2.236 3.656 1.00 0.00 C ATOM 328 CG PRO A 22 11.438 -3.180 3.168 1.00 0.00 C ATOM 329 CD PRO A 22 10.771 -4.509 2.954 1.00 0.00 C ATOM 0 HA PRO A 22 8.227 -2.588 3.676 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.597 -1.211 3.355 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.318 -2.242 4.744 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.882 -2.817 2.241 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.245 -3.266 3.896 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.187 -5.032 2.093 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.897 -5.164 3.816 1.00 0.00 H new ATOM 337 N LEU A 23 7.762 -1.168 1.789 1.00 0.00 N ATOM 338 CA LEU A 23 7.363 -0.396 0.584 1.00 0.00 C ATOM 339 C LEU A 23 7.391 1.106 0.867 1.00 0.00 C ATOM 340 O LEU A 23 6.838 1.568 1.846 1.00 0.00 O ATOM 341 CB LEU A 23 5.946 -0.861 0.283 1.00 0.00 C ATOM 342 CG LEU A 23 5.962 -1.684 -0.996 1.00 0.00 C ATOM 343 CD1 LEU A 23 4.620 -2.403 -1.163 1.00 0.00 C ATOM 344 CD2 LEU A 23 6.198 -0.755 -2.188 1.00 0.00 C ATOM 0 H LEU A 23 7.190 -1.002 2.617 1.00 0.00 H new ATOM 0 HA LEU A 23 8.040 -0.561 -0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.560 -1.457 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.283 -0.003 0.172 1.00 0.00 H new ATOM 0 HG LEU A 23 6.760 -2.424 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.634 -2.992 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.452 -3.062 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.817 -1.667 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.211 -1.340 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.398 -0.017 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.154 -0.246 -2.069 1.00 0.00 H new ATOM 356 N PRO A 24 8.041 1.818 -0.012 1.00 0.00 N ATOM 357 CA PRO A 24 8.154 3.286 0.127 1.00 0.00 C ATOM 358 C PRO A 24 6.835 3.960 -0.264 1.00 0.00 C ATOM 359 O PRO A 24 5.883 3.311 -0.646 1.00 0.00 O ATOM 360 CB PRO A 24 9.262 3.655 -0.855 1.00 0.00 C ATOM 361 CG PRO A 24 9.259 2.561 -1.876 1.00 0.00 C ATOM 362 CD PRO A 24 8.727 1.319 -1.206 1.00 0.00 C ATOM 0 HA PRO A 24 8.371 3.605 1.146 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.073 4.625 -1.316 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.227 3.723 -0.353 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.637 2.834 -2.728 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.265 2.390 -2.258 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.044 0.776 -1.859 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.532 0.632 -0.945 1.00 0.00 H new ATOM 370 N GLN A 25 6.778 5.258 -0.169 1.00 0.00 N ATOM 371 CA GLN A 25 5.531 5.984 -0.530 1.00 0.00 C ATOM 372 C GLN A 25 5.789 6.941 -1.696 1.00 0.00 C ATOM 373 O GLN A 25 4.952 7.126 -2.556 1.00 0.00 O ATOM 374 CB GLN A 25 5.158 6.766 0.728 1.00 0.00 C ATOM 375 CG GLN A 25 3.891 7.581 0.465 1.00 0.00 C ATOM 376 CD GLN A 25 4.173 9.062 0.726 1.00 0.00 C ATOM 377 OE1 GLN A 25 3.905 9.900 -0.111 1.00 0.00 O ATOM 378 NE2 GLN A 25 4.708 9.422 1.861 1.00 0.00 N ATOM 0 H GLN A 25 7.547 5.850 0.145 1.00 0.00 H new ATOM 0 HA GLN A 25 4.737 5.308 -0.847 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.996 6.081 1.560 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.976 7.427 1.014 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.561 7.439 -0.564 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.083 7.235 1.109 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.933 8.719 2.564 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.901 10.407 2.044 1.00 0.00 H new ATOM 387 N VAL A 26 6.942 7.548 -1.730 1.00 0.00 N ATOM 388 CA VAL A 26 7.257 8.491 -2.834 1.00 0.00 C ATOM 389 C VAL A 26 7.330 7.740 -4.167 1.00 0.00 C ATOM 390 O VAL A 26 7.434 8.335 -5.221 1.00 0.00 O ATOM 391 CB VAL A 26 8.614 9.078 -2.454 1.00 0.00 C ATOM 392 CG1 VAL A 26 9.396 9.431 -3.716 1.00 0.00 C ATOM 393 CG2 VAL A 26 8.405 10.340 -1.615 1.00 0.00 C ATOM 0 H VAL A 26 7.681 7.430 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 26 6.500 9.265 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 26 9.175 8.343 -1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.364 9.850 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.547 8.532 -4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.837 10.164 -4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.373 10.760 -1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.841 11.072 -2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.852 10.088 -0.710 1.00 0.00 H new ATOM 403 N LEU A 27 7.276 6.436 -4.129 1.00 0.00 N ATOM 404 CA LEU A 27 7.340 5.651 -5.395 1.00 0.00 C ATOM 405 C LEU A 27 5.930 5.285 -5.863 1.00 0.00 C ATOM 406 O LEU A 27 5.689 5.084 -7.038 1.00 0.00 O ATOM 407 CB LEU A 27 8.133 4.392 -5.040 1.00 0.00 C ATOM 408 CG LEU A 27 8.897 3.906 -6.273 1.00 0.00 C ATOM 409 CD1 LEU A 27 10.394 3.868 -5.965 1.00 0.00 C ATOM 410 CD2 LEU A 27 8.418 2.501 -6.646 1.00 0.00 C ATOM 0 H LEU A 27 7.190 5.881 -3.277 1.00 0.00 H new ATOM 0 HA LEU A 27 7.806 6.211 -6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.829 4.604 -4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.459 3.612 -4.686 1.00 0.00 H new ATOM 0 HG LEU A 27 8.715 4.587 -7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.938 3.522 -6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.736 4.868 -5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.577 3.187 -5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.961 2.153 -7.525 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.600 1.821 -5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.351 2.527 -6.866 1.00 0.00 H new ATOM 422 N LEU A 28 4.995 5.194 -4.956 1.00 0.00 N ATOM 423 CA LEU A 28 3.606 4.838 -5.352 1.00 0.00 C ATOM 424 C LEU A 28 2.764 6.104 -5.535 1.00 0.00 C ATOM 425 O LEU A 28 3.163 7.184 -5.147 1.00 0.00 O ATOM 426 CB LEU A 28 3.071 4.007 -4.189 1.00 0.00 C ATOM 427 CG LEU A 28 4.092 2.931 -3.811 1.00 0.00 C ATOM 428 CD1 LEU A 28 3.803 2.429 -2.396 1.00 0.00 C ATOM 429 CD2 LEU A 28 3.990 1.764 -4.796 1.00 0.00 C ATOM 0 H LEU A 28 5.135 5.351 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 28 3.571 4.296 -6.297 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.871 4.650 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.125 3.543 -4.466 1.00 0.00 H new ATOM 0 HG LEU A 28 5.096 3.353 -3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.530 1.663 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.874 3.260 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.799 2.006 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.717 0.997 -4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.986 1.342 -4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.195 2.121 -5.805 1.00 0.00 H new ATOM 441 N SER A 29 1.605 5.984 -6.127 1.00 0.00 N ATOM 442 CA SER A 29 0.754 7.189 -6.331 1.00 0.00 C ATOM 443 C SER A 29 -0.285 7.323 -5.216 1.00 0.00 C ATOM 444 O SER A 29 -0.296 8.289 -4.478 1.00 0.00 O ATOM 445 CB SER A 29 0.068 6.968 -7.678 1.00 0.00 C ATOM 446 OG SER A 29 -0.568 8.173 -8.084 1.00 0.00 O ATOM 0 H SER A 29 1.214 5.109 -6.476 1.00 0.00 H new ATOM 0 HA SER A 29 1.343 8.106 -6.314 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.799 6.659 -8.425 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.665 6.165 -7.599 1.00 0.00 H new ATOM 0 HG SER A 29 -1.008 8.035 -8.949 1.00 0.00 H new ATOM 452 N SER A 30 -1.165 6.371 -5.094 1.00 0.00 N ATOM 453 CA SER A 30 -2.210 6.458 -4.030 1.00 0.00 C ATOM 454 C SER A 30 -2.568 5.066 -3.503 1.00 0.00 C ATOM 455 O SER A 30 -1.817 4.123 -3.647 1.00 0.00 O ATOM 456 CB SER A 30 -3.417 7.094 -4.718 1.00 0.00 C ATOM 457 OG SER A 30 -3.770 6.319 -5.858 1.00 0.00 O ATOM 0 H SER A 30 -1.209 5.538 -5.681 1.00 0.00 H new ATOM 0 HA SER A 30 -1.870 7.037 -3.171 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.258 7.148 -4.026 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.183 8.116 -5.017 1.00 0.00 H new ATOM 0 HG SER A 30 -4.375 6.836 -6.430 1.00 0.00 H new ATOM 463 N TRP A 31 -3.714 4.937 -2.888 1.00 0.00 N ATOM 464 CA TRP A 31 -4.131 3.614 -2.341 1.00 0.00 C ATOM 465 C TRP A 31 -5.636 3.597 -2.088 1.00 0.00 C ATOM 466 O TRP A 31 -6.266 4.627 -1.958 1.00 0.00 O ATOM 467 CB TRP A 31 -3.414 3.487 -1.001 1.00 0.00 C ATOM 468 CG TRP A 31 -3.937 4.535 -0.078 1.00 0.00 C ATOM 469 CD1 TRP A 31 -3.650 5.848 -0.174 1.00 0.00 C ATOM 470 CD2 TRP A 31 -4.837 4.393 1.060 1.00 0.00 C ATOM 471 NE1 TRP A 31 -4.299 6.525 0.841 1.00 0.00 N ATOM 472 CE2 TRP A 31 -5.048 5.671 1.627 1.00 0.00 C ATOM 473 CE3 TRP A 31 -5.481 3.291 1.651 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -5.868 5.852 2.741 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -6.308 3.469 2.773 1.00 0.00 C ATOM 476 CH2 TRP A 31 -6.500 4.748 3.316 1.00 0.00 C ATOM 0 H TRP A 31 -4.381 5.694 -2.741 1.00 0.00 H new ATOM 0 HA TRP A 31 -3.890 2.806 -3.032 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.576 2.496 -0.578 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.339 3.604 -1.135 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.015 6.298 -0.923 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.233 7.532 0.991 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.339 2.302 1.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.013 6.839 3.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.798 2.617 3.220 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.137 4.879 4.179 1.00 0.00 H new ATOM 487 N TYR A 32 -6.206 2.436 -1.963 1.00 0.00 N ATOM 488 CA TYR A 32 -7.660 2.359 -1.654 1.00 0.00 C ATOM 489 C TYR A 32 -7.938 1.127 -0.799 1.00 0.00 C ATOM 490 O TYR A 32 -7.329 0.089 -0.977 1.00 0.00 O ATOM 491 CB TYR A 32 -8.409 2.306 -2.984 1.00 0.00 C ATOM 492 CG TYR A 32 -7.760 1.333 -3.925 1.00 0.00 C ATOM 493 CD1 TYR A 32 -6.726 1.760 -4.757 1.00 0.00 C ATOM 494 CD2 TYR A 32 -8.214 0.015 -3.983 1.00 0.00 C ATOM 495 CE1 TYR A 32 -6.137 0.862 -5.653 1.00 0.00 C ATOM 496 CE2 TYR A 32 -7.632 -0.884 -4.881 1.00 0.00 C ATOM 497 CZ TYR A 32 -6.592 -0.462 -5.716 1.00 0.00 C ATOM 498 OH TYR A 32 -6.017 -1.348 -6.604 1.00 0.00 O ATOM 0 H TYR A 32 -5.732 1.538 -2.061 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.994 3.227 -1.086 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.445 2.015 -2.811 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.427 3.298 -3.436 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.381 2.782 -4.710 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -9.014 -0.310 -3.335 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.333 1.188 -6.295 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.985 -1.904 -4.930 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.449 -2.224 -6.518 1.00 0.00 H new ATOM 508 N PRO A 33 -8.841 1.297 0.122 1.00 0.00 N ATOM 509 CA PRO A 33 -9.210 0.205 1.055 1.00 0.00 C ATOM 510 C PRO A 33 -9.873 -0.951 0.303 1.00 0.00 C ATOM 511 O PRO A 33 -10.326 -0.800 -0.814 1.00 0.00 O ATOM 512 CB PRO A 33 -10.180 0.878 2.023 1.00 0.00 C ATOM 513 CG PRO A 33 -10.727 2.031 1.256 1.00 0.00 C ATOM 514 CD PRO A 33 -9.611 2.516 0.378 1.00 0.00 C ATOM 0 HA PRO A 33 -8.353 -0.236 1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.971 0.195 2.332 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.672 1.208 2.929 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.588 1.729 0.660 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.065 2.820 1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.986 2.958 -0.545 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.009 3.277 0.874 1.00 0.00 H new ATOM 522 N THR A 34 -9.924 -2.107 0.905 1.00 0.00 N ATOM 523 CA THR A 34 -10.546 -3.277 0.221 1.00 0.00 C ATOM 524 C THR A 34 -11.875 -3.640 0.887 1.00 0.00 C ATOM 525 O THR A 34 -12.364 -2.934 1.747 1.00 0.00 O ATOM 526 CB THR A 34 -9.541 -4.420 0.389 1.00 0.00 C ATOM 527 OG1 THR A 34 -9.750 -5.051 1.644 1.00 0.00 O ATOM 528 CG2 THR A 34 -8.111 -3.874 0.325 1.00 0.00 C ATOM 0 H THR A 34 -9.562 -2.293 1.840 1.00 0.00 H new ATOM 0 HA THR A 34 -10.760 -3.069 -0.827 1.00 0.00 H new ATOM 0 HB THR A 34 -9.684 -5.143 -0.414 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.269 -5.872 1.515 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.403 -4.694 0.445 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.948 -3.392 -0.639 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.963 -3.147 1.123 1.00 0.00 H new ATOM 536 N SER A 35 -12.462 -4.737 0.495 1.00 0.00 N ATOM 537 CA SER A 35 -13.760 -5.149 1.101 1.00 0.00 C ATOM 538 C SER A 35 -13.516 -6.116 2.262 1.00 0.00 C ATOM 539 O SER A 35 -12.592 -5.957 3.034 1.00 0.00 O ATOM 540 CB SER A 35 -14.517 -5.847 -0.027 1.00 0.00 C ATOM 541 OG SER A 35 -15.913 -5.666 0.161 1.00 0.00 O ATOM 0 H SER A 35 -12.098 -5.367 -0.220 1.00 0.00 H new ATOM 0 HA SER A 35 -14.317 -4.303 1.504 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.213 -5.440 -0.991 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.275 -6.910 -0.039 1.00 0.00 H new ATOM 0 HG SER A 35 -16.401 -6.112 -0.563 1.00 0.00 H new ATOM 547 N GLN A 36 -14.340 -7.120 2.390 1.00 0.00 N ATOM 548 CA GLN A 36 -14.157 -8.101 3.498 1.00 0.00 C ATOM 549 C GLN A 36 -14.675 -9.476 3.070 1.00 0.00 C ATOM 550 O GLN A 36 -15.209 -10.225 3.865 1.00 0.00 O ATOM 551 CB GLN A 36 -14.988 -7.549 4.657 1.00 0.00 C ATOM 552 CG GLN A 36 -14.177 -7.630 5.951 1.00 0.00 C ATOM 553 CD GLN A 36 -14.939 -6.932 7.078 1.00 0.00 C ATOM 554 OE1 GLN A 36 -14.360 -6.203 7.859 1.00 0.00 O ATOM 555 NE2 GLN A 36 -16.225 -7.126 7.197 1.00 0.00 N ATOM 0 H GLN A 36 -15.133 -7.304 1.775 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.110 -8.226 3.774 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.270 -6.515 4.456 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.912 -8.118 4.759 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.994 -8.672 6.213 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.203 -7.161 5.812 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -16.711 -7.738 6.542 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -16.743 -6.666 7.945 1.00 0.00 H new ATOM 564 N LEU A 37 -14.521 -9.814 1.820 1.00 0.00 N ATOM 565 CA LEU A 37 -15.004 -11.140 1.340 1.00 0.00 C ATOM 566 C LEU A 37 -13.817 -12.031 0.962 1.00 0.00 C ATOM 567 O LEU A 37 -13.906 -13.243 0.989 1.00 0.00 O ATOM 568 CB LEU A 37 -15.856 -10.830 0.108 1.00 0.00 C ATOM 569 CG LEU A 37 -16.075 -12.112 -0.697 1.00 0.00 C ATOM 570 CD1 LEU A 37 -16.907 -13.096 0.126 1.00 0.00 C ATOM 571 CD2 LEU A 37 -16.818 -11.779 -1.994 1.00 0.00 C ATOM 0 H LEU A 37 -14.081 -9.229 1.109 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.571 -11.674 2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -16.815 -10.411 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.362 -10.080 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.110 -12.561 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -17.063 -14.009 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -16.380 -13.334 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -17.872 -12.647 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.974 -12.692 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -17.782 -11.330 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.227 -11.077 -2.582 1.00 0.00 H new ATOM 583 N CYS A 38 -12.708 -11.442 0.609 1.00 0.00 N ATOM 584 CA CYS A 38 -11.520 -12.259 0.229 1.00 0.00 C ATOM 585 C CYS A 38 -10.969 -12.995 1.455 1.00 0.00 C ATOM 586 O CYS A 38 -11.662 -13.190 2.434 1.00 0.00 O ATOM 587 CB CYS A 38 -10.500 -11.252 -0.304 1.00 0.00 C ATOM 588 SG CYS A 38 -10.797 -10.980 -2.069 1.00 0.00 S ATOM 0 H CYS A 38 -12.572 -10.432 0.567 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.761 -13.021 -0.512 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -10.582 -10.311 0.240 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.488 -11.624 -0.147 1.00 0.00 H new ATOM 593 N SER A 39 -9.734 -13.413 1.408 1.00 0.00 N ATOM 594 CA SER A 39 -9.150 -14.145 2.569 1.00 0.00 C ATOM 595 C SER A 39 -8.397 -13.185 3.496 1.00 0.00 C ATOM 596 O SER A 39 -7.927 -13.571 4.549 1.00 0.00 O ATOM 597 CB SER A 39 -8.186 -15.156 1.952 1.00 0.00 C ATOM 598 OG SER A 39 -8.845 -15.852 0.902 1.00 0.00 O ATOM 0 H SER A 39 -9.104 -13.280 0.617 1.00 0.00 H new ATOM 0 HA SER A 39 -9.919 -14.624 3.176 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.303 -14.646 1.568 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.843 -15.859 2.711 1.00 0.00 H new ATOM 0 HG SER A 39 -8.229 -16.501 0.502 1.00 0.00 H new ATOM 604 N LYS A 40 -8.272 -11.941 3.121 1.00 0.00 N ATOM 605 CA LYS A 40 -7.544 -10.977 3.999 1.00 0.00 C ATOM 606 C LYS A 40 -7.650 -9.554 3.447 1.00 0.00 C ATOM 607 O LYS A 40 -6.824 -9.122 2.669 1.00 0.00 O ATOM 608 CB LYS A 40 -6.089 -11.450 3.982 1.00 0.00 C ATOM 609 CG LYS A 40 -5.559 -11.528 5.415 1.00 0.00 C ATOM 610 CD LYS A 40 -4.930 -12.902 5.652 1.00 0.00 C ATOM 611 CE LYS A 40 -4.684 -13.101 7.149 1.00 0.00 C ATOM 612 NZ LYS A 40 -5.980 -12.757 7.799 1.00 0.00 N ATOM 0 H LYS A 40 -8.639 -11.551 2.252 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.958 -10.951 5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.019 -12.427 3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.479 -10.763 3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.821 -10.744 5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.370 -11.360 6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.588 -13.685 5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.991 -12.983 5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.392 -14.128 7.368 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.880 -12.458 7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.103 -13.335 8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.982 -11.750 8.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.761 -12.946 7.138 1.00 0.00 H new ATOM 626 N PRO A 41 -8.669 -8.869 3.888 1.00 0.00 N ATOM 627 CA PRO A 41 -8.899 -7.469 3.453 1.00 0.00 C ATOM 628 C PRO A 41 -7.867 -6.538 4.096 1.00 0.00 C ATOM 629 O PRO A 41 -7.057 -6.957 4.899 1.00 0.00 O ATOM 630 CB PRO A 41 -10.298 -7.161 3.969 1.00 0.00 C ATOM 631 CG PRO A 41 -10.493 -8.091 5.118 1.00 0.00 C ATOM 632 CD PRO A 41 -9.696 -9.332 4.822 1.00 0.00 C ATOM 0 HA PRO A 41 -8.807 -7.333 2.376 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.384 -6.121 4.283 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.049 -7.324 3.196 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.158 -7.631 6.047 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.549 -8.332 5.244 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.255 -9.750 5.727 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.317 -10.111 4.380 1.00 0.00 H new ATOM 640 N GLY A 42 -7.890 -5.277 3.756 1.00 0.00 N ATOM 641 CA GLY A 42 -6.911 -4.331 4.361 1.00 0.00 C ATOM 642 C GLY A 42 -6.726 -3.118 3.449 1.00 0.00 C ATOM 643 O GLY A 42 -7.673 -2.591 2.901 1.00 0.00 O ATOM 0 H GLY A 42 -8.541 -4.864 3.089 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.262 -4.009 5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.955 -4.832 4.513 1.00 0.00 H new ATOM 647 N VAL A 43 -5.512 -2.670 3.284 1.00 0.00 N ATOM 648 CA VAL A 43 -5.266 -1.492 2.407 1.00 0.00 C ATOM 649 C VAL A 43 -4.317 -1.863 1.273 1.00 0.00 C ATOM 650 O VAL A 43 -3.246 -2.393 1.491 1.00 0.00 O ATOM 651 CB VAL A 43 -4.622 -0.437 3.312 1.00 0.00 C ATOM 652 CG1 VAL A 43 -3.654 0.426 2.496 1.00 0.00 C ATOM 653 CG2 VAL A 43 -5.705 0.469 3.891 1.00 0.00 C ATOM 0 H VAL A 43 -4.680 -3.069 3.719 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.187 -1.129 1.950 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.084 -0.942 4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.199 1.175 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.875 -0.206 2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.198 0.924 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.246 1.219 4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.237 0.964 3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.406 -0.129 4.473 1.00 0.00 H new ATOM 663 N ILE A 44 -4.692 -1.568 0.065 1.00 0.00 N ATOM 664 CA ILE A 44 -3.799 -1.880 -1.076 1.00 0.00 C ATOM 665 C ILE A 44 -3.253 -0.571 -1.641 1.00 0.00 C ATOM 666 O ILE A 44 -3.936 0.433 -1.666 1.00 0.00 O ATOM 667 CB ILE A 44 -4.676 -2.606 -2.100 1.00 0.00 C ATOM 668 CG1 ILE A 44 -5.422 -1.584 -2.951 1.00 0.00 C ATOM 669 CG2 ILE A 44 -5.688 -3.491 -1.381 1.00 0.00 C ATOM 670 CD1 ILE A 44 -4.501 -1.108 -4.067 1.00 0.00 C ATOM 0 H ILE A 44 -5.577 -1.125 -0.181 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.947 -2.499 -0.796 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.041 -3.223 -2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.324 -2.029 -3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.738 -0.741 -2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.309 -4.005 -2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.161 -4.227 -0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.319 -2.875 -0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.024 -0.376 -4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.612 -0.649 -3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.207 -1.958 -4.684 1.00 0.00 H new ATOM 682 N PHE A 45 -2.027 -0.559 -2.071 1.00 0.00 N ATOM 683 CA PHE A 45 -1.452 0.703 -2.602 1.00 0.00 C ATOM 684 C PHE A 45 -1.257 0.617 -4.113 1.00 0.00 C ATOM 685 O PHE A 45 -0.851 -0.397 -4.643 1.00 0.00 O ATOM 686 CB PHE A 45 -0.097 0.825 -1.911 1.00 0.00 C ATOM 687 CG PHE A 45 -0.294 1.103 -0.443 1.00 0.00 C ATOM 688 CD1 PHE A 45 -0.589 2.401 -0.011 1.00 0.00 C ATOM 689 CD2 PHE A 45 -0.175 0.065 0.488 1.00 0.00 C ATOM 690 CE1 PHE A 45 -0.765 2.660 1.353 1.00 0.00 C ATOM 691 CE2 PHE A 45 -0.352 0.322 1.850 1.00 0.00 C ATOM 692 CZ PHE A 45 -0.646 1.619 2.282 1.00 0.00 C ATOM 0 H PHE A 45 -1.400 -1.364 -2.078 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.102 1.558 -2.416 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.472 -0.095 -2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.483 1.627 -2.367 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.681 3.202 -0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.054 -0.936 0.153 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.992 3.661 1.689 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.262 -0.480 2.568 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.782 1.818 3.335 1.00 0.00 H new ATOM 702 N LEU A 46 -1.525 1.682 -4.810 1.00 0.00 N ATOM 703 CA LEU A 46 -1.335 1.671 -6.280 1.00 0.00 C ATOM 704 C LEU A 46 -0.143 2.553 -6.641 1.00 0.00 C ATOM 705 O LEU A 46 0.022 3.641 -6.123 1.00 0.00 O ATOM 706 CB LEU A 46 -2.629 2.236 -6.857 1.00 0.00 C ATOM 707 CG LEU A 46 -2.345 2.934 -8.186 1.00 0.00 C ATOM 708 CD1 LEU A 46 -1.483 2.025 -9.059 1.00 0.00 C ATOM 709 CD2 LEU A 46 -3.669 3.221 -8.897 1.00 0.00 C ATOM 0 H LEU A 46 -1.868 2.561 -4.422 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.131 0.675 -6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.352 1.434 -7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.074 2.940 -6.154 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.818 3.871 -8.006 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.278 2.520 -10.008 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.543 1.815 -8.549 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.012 1.090 -9.244 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.472 3.719 -9.846 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.194 2.284 -9.081 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.286 3.865 -8.271 1.00 0.00 H new ATOM 721 N THR A 47 0.690 2.083 -7.516 1.00 0.00 N ATOM 722 CA THR A 47 1.885 2.880 -7.911 1.00 0.00 C ATOM 723 C THR A 47 1.465 4.082 -8.749 1.00 0.00 C ATOM 724 O THR A 47 0.383 4.614 -8.599 1.00 0.00 O ATOM 725 CB THR A 47 2.743 1.927 -8.748 1.00 0.00 C ATOM 726 OG1 THR A 47 2.111 1.702 -10.004 1.00 0.00 O ATOM 727 CG2 THR A 47 2.901 0.597 -8.008 1.00 0.00 C ATOM 0 H THR A 47 0.599 1.179 -7.979 1.00 0.00 H new ATOM 0 HA THR A 47 2.424 3.264 -7.045 1.00 0.00 H new ATOM 0 HB THR A 47 3.726 2.369 -8.910 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.727 1.227 -10.600 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.512 -0.081 -8.604 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.385 0.771 -7.047 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.919 0.152 -7.845 1.00 0.00 H new ATOM 735 N LYS A 48 2.315 4.500 -9.641 1.00 0.00 N ATOM 736 CA LYS A 48 1.980 5.651 -10.523 1.00 0.00 C ATOM 737 C LYS A 48 1.866 5.141 -11.959 1.00 0.00 C ATOM 738 O LYS A 48 1.820 5.900 -12.907 1.00 0.00 O ATOM 739 CB LYS A 48 3.154 6.622 -10.382 1.00 0.00 C ATOM 740 CG LYS A 48 2.877 7.594 -9.234 1.00 0.00 C ATOM 741 CD LYS A 48 4.065 8.544 -9.069 1.00 0.00 C ATOM 742 CE LYS A 48 4.410 9.172 -10.420 1.00 0.00 C ATOM 743 NZ LYS A 48 5.009 10.494 -10.088 1.00 0.00 N ATOM 0 H LYS A 48 3.236 4.091 -9.799 1.00 0.00 H new ATOM 0 HA LYS A 48 1.039 6.135 -10.262 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.075 6.071 -10.192 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.298 7.172 -11.312 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.969 8.162 -9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.708 7.042 -8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.823 9.323 -8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.926 8.002 -8.678 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.111 8.550 -10.977 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.521 9.286 -11.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.272 10.986 -10.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.317 11.067 -9.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.857 10.354 -9.502 1.00 0.00 H new ATOM 757 N ARG A 49 1.826 3.844 -12.113 1.00 0.00 N ATOM 758 CA ARG A 49 1.723 3.239 -13.468 1.00 0.00 C ATOM 759 C ARG A 49 0.507 2.312 -13.540 1.00 0.00 C ATOM 760 O ARG A 49 -0.538 2.678 -14.040 1.00 0.00 O ATOM 761 CB ARG A 49 3.015 2.437 -13.624 1.00 0.00 C ATOM 762 CG ARG A 49 4.093 3.320 -14.256 1.00 0.00 C ATOM 763 CD ARG A 49 5.476 2.772 -13.896 1.00 0.00 C ATOM 764 NE ARG A 49 6.340 3.975 -13.748 1.00 0.00 N ATOM 765 CZ ARG A 49 6.956 4.468 -14.787 1.00 0.00 C ATOM 766 NH1 ARG A 49 7.663 3.686 -15.557 1.00 0.00 N ATOM 767 NH2 ARG A 49 6.864 5.741 -15.058 1.00 0.00 N ATOM 0 H ARG A 49 1.861 3.172 -11.346 1.00 0.00 H new ATOM 0 HA ARG A 49 1.599 3.985 -14.253 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.350 2.076 -12.652 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.838 1.560 -14.246 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.970 3.344 -15.339 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.993 4.346 -13.901 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.443 2.193 -12.973 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.853 2.109 -14.675 1.00 0.00 H new ATOM 0 HE ARG A 49 6.450 4.414 -12.834 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.733 2.691 -15.346 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.145 4.070 -16.370 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.310 6.352 -14.457 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.346 6.126 -15.871 1.00 0.00 H new ATOM 781 N GLY A 50 0.640 1.113 -13.044 1.00 0.00 N ATOM 782 CA GLY A 50 -0.504 0.158 -13.081 1.00 0.00 C ATOM 783 C GLY A 50 -0.225 -1.019 -12.141 1.00 0.00 C ATOM 784 O GLY A 50 -0.745 -2.102 -12.318 1.00 0.00 O ATOM 0 H GLY A 50 1.492 0.753 -12.614 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.422 0.664 -12.783 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.655 -0.204 -14.098 1.00 0.00 H new ATOM 788 N ARG A 51 0.591 -0.814 -11.142 1.00 0.00 N ATOM 789 CA ARG A 51 0.899 -1.924 -10.191 1.00 0.00 C ATOM 790 C ARG A 51 0.231 -1.661 -8.838 1.00 0.00 C ATOM 791 O ARG A 51 0.287 -0.568 -8.311 1.00 0.00 O ATOM 792 CB ARG A 51 2.422 -1.914 -10.051 1.00 0.00 C ATOM 793 CG ARG A 51 3.025 -2.974 -10.975 1.00 0.00 C ATOM 794 CD ARG A 51 4.466 -3.264 -10.548 1.00 0.00 C ATOM 795 NE ARG A 51 5.306 -2.397 -11.419 1.00 0.00 N ATOM 796 CZ ARG A 51 5.242 -1.099 -11.304 1.00 0.00 C ATOM 797 NH1 ARG A 51 5.926 -0.491 -10.373 1.00 0.00 N ATOM 798 NH2 ARG A 51 4.494 -0.407 -12.119 1.00 0.00 N ATOM 0 H ARG A 51 1.057 0.071 -10.943 1.00 0.00 H new ATOM 0 HA ARG A 51 0.530 -2.887 -10.544 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.815 -0.929 -10.304 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.704 -2.114 -9.017 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.432 -3.887 -10.934 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.004 -2.626 -12.008 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.620 -3.032 -9.494 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.713 -4.317 -10.682 1.00 0.00 H new ATOM 0 HE ARG A 51 5.932 -2.818 -12.106 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.511 -1.031 -9.735 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.876 0.524 -10.284 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.959 -0.881 -12.847 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.444 0.608 -12.028 1.00 0.00 H new ATOM 812 N GLN A 52 -0.413 -2.649 -8.280 1.00 0.00 N ATOM 813 CA GLN A 52 -1.095 -2.453 -6.973 1.00 0.00 C ATOM 814 C GLN A 52 -0.369 -3.216 -5.858 1.00 0.00 C ATOM 815 O GLN A 52 0.389 -4.131 -6.108 1.00 0.00 O ATOM 816 CB GLN A 52 -2.495 -3.024 -7.185 1.00 0.00 C ATOM 817 CG GLN A 52 -2.971 -2.713 -8.607 1.00 0.00 C ATOM 818 CD GLN A 52 -2.982 -1.198 -8.823 1.00 0.00 C ATOM 819 OE1 GLN A 52 -2.081 -0.652 -9.428 1.00 0.00 O ATOM 820 NE2 GLN A 52 -3.972 -0.491 -8.352 1.00 0.00 N ATOM 0 H GLN A 52 -0.496 -3.586 -8.675 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.111 -1.406 -6.670 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.487 -4.102 -7.022 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.186 -2.597 -6.458 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.314 -3.190 -9.334 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.970 -3.121 -8.765 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.729 -0.948 -7.844 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.989 0.519 -8.492 1.00 0.00 H new ATOM 829 N VAL A 53 -0.607 -2.843 -4.630 1.00 0.00 N ATOM 830 CA VAL A 53 0.049 -3.533 -3.486 1.00 0.00 C ATOM 831 C VAL A 53 -0.982 -3.784 -2.380 1.00 0.00 C ATOM 832 O VAL A 53 -2.058 -3.225 -2.393 1.00 0.00 O ATOM 833 CB VAL A 53 1.129 -2.557 -3.012 1.00 0.00 C ATOM 834 CG1 VAL A 53 1.336 -2.716 -1.509 1.00 0.00 C ATOM 835 CG2 VAL A 53 2.442 -2.860 -3.737 1.00 0.00 C ATOM 0 H VAL A 53 -1.234 -2.082 -4.369 1.00 0.00 H new ATOM 0 HA VAL A 53 0.470 -4.501 -3.757 1.00 0.00 H new ATOM 0 HB VAL A 53 0.816 -1.536 -3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.105 -2.021 -1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.402 -2.504 -0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.649 -3.737 -1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.212 -2.166 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.752 -3.881 -3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.298 -2.749 -4.812 1.00 0.00 H new ATOM 845 N CYS A 54 -0.667 -4.619 -1.426 1.00 0.00 N ATOM 846 CA CYS A 54 -1.639 -4.895 -0.330 1.00 0.00 C ATOM 847 C CYS A 54 -0.912 -5.032 1.008 1.00 0.00 C ATOM 848 O CYS A 54 -0.112 -5.925 1.194 1.00 0.00 O ATOM 849 CB CYS A 54 -2.290 -6.219 -0.712 1.00 0.00 C ATOM 850 SG CYS A 54 -3.967 -6.279 -0.038 1.00 0.00 S ATOM 0 H CYS A 54 0.219 -5.120 -1.359 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.367 -4.092 -0.215 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.318 -6.324 -1.797 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.701 -7.051 -0.326 1.00 0.00 H new ATOM 855 N ALA A 55 -1.179 -4.161 1.943 1.00 0.00 N ATOM 856 CA ALA A 55 -0.492 -4.263 3.260 1.00 0.00 C ATOM 857 C ALA A 55 -1.485 -4.019 4.400 1.00 0.00 C ATOM 858 O ALA A 55 -2.497 -3.366 4.228 1.00 0.00 O ATOM 859 CB ALA A 55 0.574 -3.170 3.233 1.00 0.00 C ATOM 0 H ALA A 55 -1.839 -3.388 1.852 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.061 -5.251 3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.128 -3.178 4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.260 -3.351 2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.096 -2.199 3.102 1.00 0.00 H new ATOM 865 N ASP A 56 -1.203 -4.539 5.563 1.00 0.00 N ATOM 866 CA ASP A 56 -2.125 -4.337 6.715 1.00 0.00 C ATOM 867 C ASP A 56 -2.075 -2.879 7.174 1.00 0.00 C ATOM 868 O ASP A 56 -1.019 -2.339 7.440 1.00 0.00 O ATOM 869 CB ASP A 56 -1.601 -5.265 7.811 1.00 0.00 C ATOM 870 CG ASP A 56 -2.568 -5.255 8.996 1.00 0.00 C ATOM 871 OD1 ASP A 56 -3.260 -4.265 9.163 1.00 0.00 O ATOM 872 OD2 ASP A 56 -2.602 -6.240 9.715 1.00 0.00 O ATOM 0 H ASP A 56 -0.373 -5.096 5.765 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.162 -4.557 6.461 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.495 -6.278 7.424 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.611 -4.941 8.133 1.00 0.00 H new ATOM 877 N LYS A 57 -3.205 -2.236 7.268 1.00 0.00 N ATOM 878 CA LYS A 57 -3.217 -0.812 7.708 1.00 0.00 C ATOM 879 C LYS A 57 -2.534 -0.675 9.071 1.00 0.00 C ATOM 880 O LYS A 57 -2.178 0.407 9.492 1.00 0.00 O ATOM 881 CB LYS A 57 -4.697 -0.443 7.809 1.00 0.00 C ATOM 882 CG LYS A 57 -4.831 1.035 8.181 1.00 0.00 C ATOM 883 CD LYS A 57 -6.042 1.633 7.463 1.00 0.00 C ATOM 884 CE LYS A 57 -7.316 0.936 7.943 1.00 0.00 C ATOM 885 NZ LYS A 57 -8.282 2.039 8.205 1.00 0.00 N ATOM 0 H LYS A 57 -4.121 -2.634 7.059 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.681 -0.160 7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.196 -0.637 6.860 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.187 -1.064 8.559 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.946 1.141 9.260 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.926 1.575 7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.104 2.703 7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.934 1.514 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.698 0.248 7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.131 0.351 8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.183 1.640 8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.895 2.674 8.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.444 2.574 7.328 1.00 0.00 H new ATOM 899 N SER A 58 -2.347 -1.766 9.764 1.00 0.00 N ATOM 900 CA SER A 58 -1.685 -1.700 11.097 1.00 0.00 C ATOM 901 C SER A 58 -0.167 -1.616 10.929 1.00 0.00 C ATOM 902 O SER A 58 0.580 -1.721 11.882 1.00 0.00 O ATOM 903 CB SER A 58 -2.078 -3.003 11.791 1.00 0.00 C ATOM 904 OG SER A 58 -1.530 -4.100 11.072 1.00 0.00 O ATOM 0 H SER A 58 -2.625 -2.700 9.464 1.00 0.00 H new ATOM 0 HA SER A 58 -1.988 -0.823 11.670 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.712 -3.007 12.818 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.163 -3.090 11.839 1.00 0.00 H new ATOM 0 HG SER A 58 -1.779 -4.938 11.515 1.00 0.00 H new ATOM 910 N LYS A 59 0.294 -1.430 9.724 1.00 0.00 N ATOM 911 CA LYS A 59 1.762 -1.340 9.490 1.00 0.00 C ATOM 912 C LYS A 59 2.228 0.111 9.586 1.00 0.00 C ATOM 913 O LYS A 59 1.774 0.971 8.859 1.00 0.00 O ATOM 914 CB LYS A 59 1.965 -1.875 8.074 1.00 0.00 C ATOM 915 CG LYS A 59 2.220 -3.382 8.124 1.00 0.00 C ATOM 916 CD LYS A 59 3.662 -3.643 8.559 1.00 0.00 C ATOM 917 CE LYS A 59 3.674 -4.182 9.991 1.00 0.00 C ATOM 918 NZ LYS A 59 5.087 -4.048 10.440 1.00 0.00 N ATOM 0 H LYS A 59 -0.284 -1.336 8.889 1.00 0.00 H new ATOM 0 HA LYS A 59 2.333 -1.903 10.228 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.085 -1.665 7.466 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.807 -1.369 7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.528 -3.855 8.820 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.039 -3.825 7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.132 -4.360 7.886 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.243 -2.722 8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.000 -3.614 10.632 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.346 -5.221 10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.176 -4.398 11.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.704 -4.605 9.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.369 -3.048 10.404 1.00 0.00 H new ATOM 932 N ASP A 60 3.134 0.386 10.480 1.00 0.00 N ATOM 933 CA ASP A 60 3.639 1.778 10.628 1.00 0.00 C ATOM 934 C ASP A 60 4.002 2.361 9.260 1.00 0.00 C ATOM 935 O ASP A 60 3.498 3.392 8.861 1.00 0.00 O ATOM 936 CB ASP A 60 4.882 1.647 11.505 1.00 0.00 C ATOM 937 CG ASP A 60 4.486 1.779 12.976 1.00 0.00 C ATOM 938 OD1 ASP A 60 3.298 1.771 13.254 1.00 0.00 O ATOM 939 OD2 ASP A 60 5.378 1.886 13.802 1.00 0.00 O ATOM 0 H ASP A 60 3.548 -0.295 11.117 1.00 0.00 H new ATOM 0 HA ASP A 60 2.897 2.446 11.065 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.362 0.684 11.332 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.608 2.417 11.243 1.00 0.00 H new ATOM 944 N TRP A 61 4.873 1.711 8.536 1.00 0.00 N ATOM 945 CA TRP A 61 5.261 2.236 7.195 1.00 0.00 C ATOM 946 C TRP A 61 4.015 2.453 6.340 1.00 0.00 C ATOM 947 O TRP A 61 3.928 3.394 5.575 1.00 0.00 O ATOM 948 CB TRP A 61 6.163 1.161 6.588 1.00 0.00 C ATOM 949 CG TRP A 61 5.351 0.001 6.106 1.00 0.00 C ATOM 950 CD1 TRP A 61 4.975 -1.045 6.868 1.00 0.00 C ATOM 951 CD2 TRP A 61 4.824 -0.258 4.771 1.00 0.00 C ATOM 952 NE1 TRP A 61 4.263 -1.940 6.088 1.00 0.00 N ATOM 953 CE2 TRP A 61 4.142 -1.497 4.787 1.00 0.00 C ATOM 954 CE3 TRP A 61 4.874 0.451 3.560 1.00 0.00 C ATOM 955 CZ2 TRP A 61 3.534 -2.014 3.640 1.00 0.00 C ATOM 956 CZ3 TRP A 61 4.260 -0.066 2.407 1.00 0.00 C ATOM 957 CH2 TRP A 61 3.592 -1.298 2.448 1.00 0.00 C ATOM 0 H TRP A 61 5.331 0.843 8.813 1.00 0.00 H new ATOM 0 HA TRP A 61 5.773 3.196 7.256 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.732 1.582 5.759 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.885 0.822 7.331 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.194 -1.166 7.919 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.876 -2.818 6.433 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.388 1.400 3.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.022 -2.964 3.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.303 0.490 1.482 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.124 -1.690 1.557 1.00 0.00 H new ATOM 968 N VAL A 62 3.047 1.596 6.472 1.00 0.00 N ATOM 969 CA VAL A 62 1.804 1.753 5.681 1.00 0.00 C ATOM 970 C VAL A 62 1.046 2.996 6.155 1.00 0.00 C ATOM 971 O VAL A 62 0.698 3.857 5.374 1.00 0.00 O ATOM 972 CB VAL A 62 1.014 0.480 5.969 1.00 0.00 C ATOM 973 CG1 VAL A 62 -0.474 0.777 5.889 1.00 0.00 C ATOM 974 CG2 VAL A 62 1.364 -0.588 4.936 1.00 0.00 C ATOM 0 H VAL A 62 3.065 0.790 7.097 1.00 0.00 H new ATOM 0 HA VAL A 62 1.984 1.886 4.614 1.00 0.00 H new ATOM 0 HB VAL A 62 1.266 0.121 6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.038 -0.133 6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.733 1.539 6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.720 1.138 4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.798 -1.496 5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.114 -0.226 3.939 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.431 -0.806 4.985 1.00 0.00 H new ATOM 984 N LYS A 63 0.796 3.106 7.430 1.00 0.00 N ATOM 985 CA LYS A 63 0.076 4.298 7.936 1.00 0.00 C ATOM 986 C LYS A 63 0.665 5.553 7.295 1.00 0.00 C ATOM 987 O LYS A 63 -0.043 6.359 6.722 1.00 0.00 O ATOM 988 CB LYS A 63 0.325 4.282 9.441 1.00 0.00 C ATOM 989 CG LYS A 63 -0.869 4.904 10.155 1.00 0.00 C ATOM 990 CD LYS A 63 -0.638 6.406 10.330 1.00 0.00 C ATOM 991 CE LYS A 63 -1.665 6.970 11.314 1.00 0.00 C ATOM 992 NZ LYS A 63 -1.406 6.253 12.593 1.00 0.00 N ATOM 0 H LYS A 63 1.060 2.422 8.139 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.989 4.291 7.704 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.477 3.259 9.785 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.234 4.836 9.677 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.779 4.730 9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.010 4.432 11.127 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.372 6.589 10.697 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.724 6.912 9.369 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.547 8.047 11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.683 6.798 10.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.543 6.906 13.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.065 5.453 12.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.428 5.898 12.600 1.00 0.00 H new ATOM 1006 N LYS A 64 1.957 5.718 7.366 1.00 0.00 N ATOM 1007 CA LYS A 64 2.582 6.911 6.735 1.00 0.00 C ATOM 1008 C LYS A 64 2.142 6.982 5.274 1.00 0.00 C ATOM 1009 O LYS A 64 1.830 8.036 4.756 1.00 0.00 O ATOM 1010 CB LYS A 64 4.092 6.678 6.840 1.00 0.00 C ATOM 1011 CG LYS A 64 4.801 7.325 5.646 1.00 0.00 C ATOM 1012 CD LYS A 64 6.254 7.629 6.017 1.00 0.00 C ATOM 1013 CE LYS A 64 6.970 6.328 6.385 1.00 0.00 C ATOM 1014 NZ LYS A 64 8.410 6.696 6.481 1.00 0.00 N ATOM 0 H LYS A 64 2.603 5.081 7.832 1.00 0.00 H new ATOM 0 HA LYS A 64 2.295 7.848 7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.470 7.099 7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.303 5.609 6.865 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.767 6.658 4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.288 8.243 5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.761 8.111 5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.288 8.325 6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.601 5.928 7.329 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.808 5.560 5.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.968 5.854 6.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.735 7.068 5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.534 7.423 7.214 1.00 0.00 H new ATOM 1028 N LEU A 65 2.102 5.858 4.611 1.00 0.00 N ATOM 1029 CA LEU A 65 1.669 5.851 3.188 1.00 0.00 C ATOM 1030 C LEU A 65 0.248 6.402 3.081 1.00 0.00 C ATOM 1031 O LEU A 65 -0.001 7.377 2.406 1.00 0.00 O ATOM 1032 CB LEU A 65 1.711 4.381 2.763 1.00 0.00 C ATOM 1033 CG LEU A 65 3.127 4.026 2.312 1.00 0.00 C ATOM 1034 CD1 LEU A 65 3.398 2.554 2.605 1.00 0.00 C ATOM 1035 CD2 LEU A 65 3.262 4.274 0.810 1.00 0.00 C ATOM 0 H LEU A 65 2.351 4.946 4.994 1.00 0.00 H new ATOM 0 HA LEU A 65 2.305 6.470 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.410 3.742 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.004 4.204 1.953 1.00 0.00 H new ATOM 0 HG LEU A 65 3.844 4.646 2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.408 2.299 2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.301 2.372 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.679 1.937 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.272 4.021 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.544 3.654 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.066 5.325 0.596 1.00 0.00 H new HETATM 1047 N MSE A 66 -0.684 5.785 3.749 1.00 0.00 N HETATM 1048 CA MSE A 66 -2.093 6.272 3.695 1.00 0.00 C HETATM 1049 C MSE A 66 -2.161 7.750 4.089 1.00 0.00 C HETATM 1050 O MSE A 66 -3.098 8.448 3.758 1.00 0.00 O HETATM 1051 CB MSE A 66 -2.844 5.415 4.716 1.00 0.00 C HETATM 1052 CG MSE A 66 -3.307 4.114 4.054 1.00 0.00 C HETATM 1053 SE MSE A 66 -4.463 3.200 5.495 1.00 0.00 SE HETATM 1054 CE MSE A 66 -5.548 4.862 6.053 1.00 0.00 C HETATM 0 H MSE A 66 -0.533 4.962 4.332 1.00 0.00 H new HETATM 0 HA MSE A 66 -2.519 6.190 2.695 1.00 0.00 H new HETATM 0 HB2 MSE A 66 -2.197 5.193 5.565 1.00 0.00 H new HETATM 0 HB3 MSE A 66 -3.703 5.963 5.104 1.00 0.00 H new HETATM 0 HG2 MSE A 66 -3.881 4.310 3.148 1.00 0.00 H new HETATM 0 HG3 MSE A 66 -2.461 3.490 3.767 1.00 0.00 H new HETATM 0 HE1 MSE A 66 -6.251 4.590 6.840 1.00 0.00 H new HETATM 0 HE2 MSE A 66 -4.870 5.632 6.422 1.00 0.00 H new HETATM 0 HE3 MSE A 66 -6.097 5.244 5.192 1.00 0.00 H new ATOM 1064 N GLN A 67 -1.176 8.231 4.798 1.00 0.00 N ATOM 1065 CA GLN A 67 -1.187 9.663 5.219 1.00 0.00 C ATOM 1066 C GLN A 67 -0.828 10.572 4.039 1.00 0.00 C ATOM 1067 O GLN A 67 -1.431 11.606 3.836 1.00 0.00 O ATOM 1068 CB GLN A 67 -0.121 9.758 6.311 1.00 0.00 C ATOM 1069 CG GLN A 67 -0.752 10.297 7.596 1.00 0.00 C ATOM 1070 CD GLN A 67 0.342 10.549 8.635 1.00 0.00 C ATOM 1071 OE1 GLN A 67 1.305 11.239 8.364 1.00 0.00 O ATOM 1072 NE2 GLN A 67 0.237 10.013 9.820 1.00 0.00 N ATOM 0 H GLN A 67 -0.364 7.695 5.104 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.168 9.981 5.572 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.317 8.777 6.493 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.688 10.413 5.988 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.291 11.221 7.389 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.479 9.584 7.984 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.571 9.434 10.048 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.963 10.173 10.518 1.00 0.00 H new ATOM 1081 N GLN A 68 0.153 10.196 3.266 1.00 0.00 N ATOM 1082 CA GLN A 68 0.553 11.042 2.104 1.00 0.00 C ATOM 1083 C GLN A 68 -0.233 10.640 0.853 1.00 0.00 C ATOM 1084 O GLN A 68 -0.461 11.438 -0.033 1.00 0.00 O ATOM 1085 CB GLN A 68 2.042 10.757 1.909 1.00 0.00 C ATOM 1086 CG GLN A 68 2.864 11.738 2.748 1.00 0.00 C ATOM 1087 CD GLN A 68 3.547 12.750 1.826 1.00 0.00 C ATOM 1088 OE1 GLN A 68 3.909 12.427 0.712 1.00 0.00 O ATOM 1089 NE2 GLN A 68 3.739 13.971 2.246 1.00 0.00 N ATOM 0 H GLN A 68 0.695 9.341 3.388 1.00 0.00 H new ATOM 0 HA GLN A 68 0.352 12.099 2.277 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.268 9.732 2.203 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.306 10.852 0.856 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.219 12.255 3.458 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.611 11.198 3.330 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.435 14.242 3.181 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.193 14.654 1.639 1.00 0.00 H new ATOM 1098 N LEU A 69 -0.643 9.406 0.776 1.00 0.00 N ATOM 1099 CA LEU A 69 -1.407 8.942 -0.414 1.00 0.00 C ATOM 1100 C LEU A 69 -2.909 9.134 -0.185 1.00 0.00 C ATOM 1101 O LEU A 69 -3.393 8.992 0.920 1.00 0.00 O ATOM 1102 CB LEU A 69 -1.081 7.452 -0.546 1.00 0.00 C ATOM 1103 CG LEU A 69 0.388 7.185 -0.211 1.00 0.00 C ATOM 1104 CD1 LEU A 69 0.522 5.776 0.359 1.00 0.00 C ATOM 1105 CD2 LEU A 69 1.233 7.287 -1.477 1.00 0.00 C ATOM 0 H LEU A 69 -0.481 8.695 1.490 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.142 9.500 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.721 6.875 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.294 7.117 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 69 0.731 7.920 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.567 5.579 0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.081 5.690 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.177 5.051 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.278 7.096 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.890 6.551 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.136 8.287 -1.900 1.00 0.00 H new ATOM 1117 N PRO A 70 -3.596 9.448 -1.247 1.00 0.00 N ATOM 1118 CA PRO A 70 -5.056 9.658 -1.178 1.00 0.00 C ATOM 1119 C PRO A 70 -5.794 8.317 -1.282 1.00 0.00 C ATOM 1120 O PRO A 70 -5.557 7.539 -2.184 1.00 0.00 O ATOM 1121 CB PRO A 70 -5.343 10.525 -2.398 1.00 0.00 C ATOM 1122 CG PRO A 70 -4.234 10.238 -3.369 1.00 0.00 C ATOM 1123 CD PRO A 70 -3.078 9.639 -2.602 1.00 0.00 C ATOM 0 HA PRO A 70 -5.382 10.115 -0.244 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.314 10.284 -2.830 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.366 11.582 -2.131 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.575 9.549 -4.142 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -3.923 11.154 -3.872 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.758 8.694 -3.041 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.213 10.302 -2.606 1.00 0.00 H new ATOM 1131 N VAL A 71 -6.686 8.042 -0.368 1.00 0.00 N ATOM 1132 CA VAL A 71 -7.433 6.751 -0.424 1.00 0.00 C ATOM 1133 C VAL A 71 -8.270 6.686 -1.704 1.00 0.00 C ATOM 1134 O VAL A 71 -9.479 6.816 -1.673 1.00 0.00 O ATOM 1135 CB VAL A 71 -8.341 6.754 0.806 1.00 0.00 C ATOM 1136 CG1 VAL A 71 -9.034 8.112 0.926 1.00 0.00 C ATOM 1137 CG2 VAL A 71 -9.397 5.658 0.658 1.00 0.00 C ATOM 0 H VAL A 71 -6.929 8.652 0.412 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.764 5.890 -0.430 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.744 6.570 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.681 8.114 1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.283 8.896 1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.632 8.295 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.046 5.658 1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.993 5.845 -0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.906 4.689 0.570 1.00 0.00 H new ATOM 1147 N THR A 72 -7.638 6.488 -2.829 1.00 0.00 N ATOM 1148 CA THR A 72 -8.398 6.417 -4.111 1.00 0.00 C ATOM 1149 C THR A 72 -9.692 5.623 -3.916 1.00 0.00 C ATOM 1150 O THR A 72 -9.829 4.859 -2.981 1.00 0.00 O ATOM 1151 CB THR A 72 -7.466 5.694 -5.084 1.00 0.00 C ATOM 1152 OG1 THR A 72 -6.121 5.850 -4.653 1.00 0.00 O ATOM 1153 CG2 THR A 72 -7.629 6.288 -6.484 1.00 0.00 C ATOM 0 H THR A 72 -6.628 6.372 -2.916 1.00 0.00 H new ATOM 0 HA THR A 72 -8.684 7.403 -4.477 1.00 0.00 H new ATOM 0 HB THR A 72 -7.718 4.634 -5.111 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.516 5.709 -5.411 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.965 5.773 -7.178 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.661 6.167 -6.813 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.378 7.348 -6.461 1.00 0.00 H new ATOM 1161 N ALA A 73 -10.645 5.801 -4.790 1.00 0.00 N ATOM 1162 CA ALA A 73 -11.930 5.056 -4.654 1.00 0.00 C ATOM 1163 C ALA A 73 -12.568 4.847 -6.030 1.00 0.00 C ATOM 1164 O ALA A 73 -13.767 4.957 -6.192 1.00 0.00 O ATOM 1165 CB ALA A 73 -12.814 5.950 -3.783 1.00 0.00 C ATOM 0 H ALA A 73 -10.590 6.429 -5.592 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.791 4.068 -4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.782 5.471 -3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.334 6.105 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.957 6.912 -4.276 1.00 0.00 H new ATOM 1171 N ARG A 74 -11.774 4.549 -7.021 1.00 0.00 N ATOM 1172 CA ARG A 74 -12.336 4.334 -8.386 1.00 0.00 C ATOM 1173 C ARG A 74 -13.353 5.429 -8.719 1.00 0.00 C ATOM 1174 CB ARG A 74 -13.020 2.968 -8.321 1.00 0.00 C ATOM 1175 CG ARG A 74 -12.589 2.123 -9.522 1.00 0.00 C ATOM 1176 CD ARG A 74 -11.929 0.834 -9.030 1.00 0.00 C ATOM 1177 NE ARG A 74 -13.051 -0.130 -8.855 1.00 0.00 N ATOM 1178 CZ ARG A 74 -13.154 -0.817 -7.751 1.00 0.00 C ATOM 1179 NH1 ARG A 74 -12.568 -1.979 -7.649 1.00 0.00 N ATOM 1180 NH2 ARG A 74 -13.843 -0.343 -6.750 1.00 0.00 N ATOM 0 H ARG A 74 -10.762 4.445 -6.946 1.00 0.00 H new ATOM 0 HA ARG A 74 -11.568 4.370 -9.159 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -12.756 2.461 -7.393 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -14.103 3.092 -8.320 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.453 1.887 -10.143 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.893 2.685 -10.145 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.199 0.464 -9.750 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.397 0.996 -8.092 1.00 0.00 H new ATOM 0 HE ARG A 74 -13.739 -0.253 -9.598 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.030 -2.349 -8.432 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.648 -2.517 -6.786 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.301 0.565 -6.831 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.924 -0.880 -5.887 1.00 0.00 H new TER 1194 ARG A 74