USER MOD reduce.3.24.130724 H: found=0, std=0, add=1037, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1032 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 112 GLN : amide:sc=-0.00494 K(o=-0.0049,f=-0.76) USER MOD Set 2.1: A 64 MET CE :methyl -175:sc= -1.26 (180deg=-1.45!) USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= -0.265 USER MOD Set 3.1: A 35 ASN : amide:sc= -1.31 K(o=-1.1,f=-16!) USER MOD Set 3.2: A 57 HIS : no HD1:sc= 0.215 K(o=-1.1,f=-7.5!) USER MOD Set 4.1: A 19 HIS : no HE2:sc= -12! C(o=-13!,f=-16!) USER MOD Set 4.2: A 20 ASN : amide:sc= -1.3 X(o=-13,f=-13!) USER MOD Set 5.1: A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 76 GLN : amide:sc= 0.0272 K(o=0.027,f=-1.3) 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= -0.0561 USER MOD Single : A 5 SER OG : rot 33:sc= 0.186 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -140:sc= -0.475 (180deg=-2.52!) USER MOD Single : A 15 THR OG1 : rot -10:sc= 0.286! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -8.64! C(o=-8.6!,f=-6.7!) USER MOD Single : A 32 THR OG1 : rot -67:sc= 1.06 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 167:sc= -4.58! (180deg=-5.57!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -20:sc= -0.619 USER MOD Single : A 49 SER OG : rot 75:sc= 0.113 USER MOD Single : A 54 ASN : amide:sc= -0.756 K(o=-0.76,f=-3.2!) USER MOD Single : A 60 LYS NZ :NH3+ 161:sc= 0.105 (180deg=0.0433) USER MOD Single : A 61 SER OG : rot 69:sc= 0.498 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0563 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.684 USER MOD Single : A 69 GLN : amide:sc= -0.39 X(o=-0.39,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.0865 K(o=-0.087,f=-0.78) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= 0.843 K(o=0.84,f=-3.7!) USER MOD Single : A 80 ASN : amide:sc= -1.41 K(o=-1.4,f=-10!) USER MOD Single : A 83 CYS SG : rot -122:sc= -0.398 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 1.08 K(o=1.1,f=-0.23) USER MOD Single : A 95 SER OG : rot -42:sc= 0.159 USER MOD Single : A 96 SER OG : rot 30:sc= 0.102 USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 106 LYS NZ :NH3+ -152:sc= -2.55 (180deg=-3.19!) USER MOD Single : A 114 LYS NZ :NH3+ 147:sc= -0.261 (180deg=-0.816) USER MOD Single : A 115 TYR OH : rot -21:sc= 0.00626 USER MOD Single : A 117 LYS NZ :NH3+ 161:sc= -0.0417 (180deg=-0.324) USER MOD Single : A 118 LYS NZ :NH3+ -138:sc= 0.0725 (180deg=0.0233) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.235 -32.283 12.887 1.00 0.00 N ATOM 2 CA GLY A 1 11.325 -30.883 12.515 1.00 0.00 C ATOM 3 C GLY A 1 10.381 -30.008 13.316 1.00 0.00 C ATOM 4 O GLY A 1 10.338 -30.090 14.543 1.00 0.00 O ATOM 0 H1 GLY A 1 11.899 -32.839 12.311 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.475 -32.391 13.893 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.266 -32.624 12.723 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.348 -30.537 12.661 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.101 -30.777 11.454 1.00 0.00 H new ATOM 8 N SER A 2 9.622 -29.167 12.620 1.00 0.00 N ATOM 9 CA SER A 2 8.678 -28.269 13.274 1.00 0.00 C ATOM 10 C SER A 2 7.463 -28.018 12.387 1.00 0.00 C ATOM 11 O SER A 2 7.580 -27.935 11.164 1.00 0.00 O ATOM 12 CB SER A 2 9.357 -26.942 13.616 1.00 0.00 C ATOM 13 OG SER A 2 8.429 -26.019 14.159 1.00 0.00 O ATOM 0 H SER A 2 9.643 -29.089 11.603 1.00 0.00 H new ATOM 0 HA SER A 2 8.341 -28.744 14.195 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.162 -27.115 14.330 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.811 -26.521 12.719 1.00 0.00 H new ATOM 0 HG SER A 2 8.888 -25.180 14.371 1.00 0.00 H new ATOM 19 N SER A 3 6.296 -27.898 13.012 1.00 0.00 N ATOM 20 CA SER A 3 5.058 -27.660 12.279 1.00 0.00 C ATOM 21 C SER A 3 4.106 -26.785 13.091 1.00 0.00 C ATOM 22 O SER A 3 4.204 -26.712 14.315 1.00 0.00 O ATOM 23 CB SER A 3 4.380 -28.988 11.936 1.00 0.00 C ATOM 24 OG SER A 3 3.128 -28.774 11.307 1.00 0.00 O ATOM 0 H SER A 3 6.182 -27.962 14.024 1.00 0.00 H new ATOM 0 HA SER A 3 5.306 -27.138 11.355 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.026 -29.571 11.279 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.239 -29.573 12.845 1.00 0.00 H new ATOM 0 HG SER A 3 2.716 -29.638 11.096 1.00 0.00 H new ATOM 30 N GLY A 4 3.184 -26.124 12.398 1.00 0.00 N ATOM 31 CA GLY A 4 2.228 -25.263 13.069 1.00 0.00 C ATOM 32 C GLY A 4 1.331 -24.523 12.097 1.00 0.00 C ATOM 33 O GLY A 4 0.111 -24.504 12.257 1.00 0.00 O ATOM 0 H GLY A 4 3.082 -26.169 11.384 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.614 -25.862 13.741 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.764 -24.541 13.685 1.00 0.00 H new ATOM 37 N SER A 5 1.938 -23.909 11.085 1.00 0.00 N ATOM 38 CA SER A 5 1.186 -23.159 10.085 1.00 0.00 C ATOM 39 C SER A 5 2.106 -22.667 8.972 1.00 0.00 C ATOM 40 O SER A 5 3.119 -22.016 9.230 1.00 0.00 O ATOM 41 CB SER A 5 0.474 -21.972 10.737 1.00 0.00 C ATOM 42 OG SER A 5 1.407 -21.041 11.257 1.00 0.00 O ATOM 0 H SER A 5 2.947 -23.916 10.936 1.00 0.00 H new ATOM 0 HA SER A 5 0.441 -23.825 9.649 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.165 -21.480 10.004 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.174 -22.328 11.538 1.00 0.00 H new ATOM 0 HG SER A 5 2.210 -21.035 10.696 1.00 0.00 H new ATOM 48 N SER A 6 1.744 -22.981 7.732 1.00 0.00 N ATOM 49 CA SER A 6 2.538 -22.575 6.578 1.00 0.00 C ATOM 50 C SER A 6 2.147 -21.174 6.116 1.00 0.00 C ATOM 51 O SER A 6 0.967 -20.873 5.940 1.00 0.00 O ATOM 52 CB SER A 6 2.357 -23.571 5.432 1.00 0.00 C ATOM 53 OG SER A 6 3.281 -23.320 4.387 1.00 0.00 O ATOM 0 H SER A 6 0.906 -23.515 7.501 1.00 0.00 H new ATOM 0 HA SER A 6 3.586 -22.562 6.876 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.491 -24.587 5.804 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.340 -23.505 5.046 1.00 0.00 H new ATOM 0 HG SER A 6 3.146 -23.971 3.667 1.00 0.00 H new ATOM 59 N GLY A 7 3.148 -20.321 5.922 1.00 0.00 N ATOM 60 CA GLY A 7 2.890 -18.962 5.483 1.00 0.00 C ATOM 61 C GLY A 7 2.379 -18.078 6.603 1.00 0.00 C ATOM 62 O GLY A 7 2.939 -17.013 6.868 1.00 0.00 O ATOM 0 H GLY A 7 4.133 -20.547 6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.807 -18.535 5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.159 -18.977 4.674 1.00 0.00 H new ATOM 66 N LEU A 8 1.313 -18.517 7.262 1.00 0.00 N ATOM 67 CA LEU A 8 0.725 -17.757 8.360 1.00 0.00 C ATOM 68 C LEU A 8 1.803 -17.263 9.319 1.00 0.00 C ATOM 69 O LEU A 8 1.746 -16.134 9.806 1.00 0.00 O ATOM 70 CB LEU A 8 -0.290 -18.617 9.115 1.00 0.00 C ATOM 71 CG LEU A 8 -1.732 -18.554 8.608 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.252 -17.125 8.653 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.825 -19.113 7.196 1.00 0.00 C ATOM 0 H LEU A 8 0.838 -19.396 7.055 1.00 0.00 H new ATOM 0 HA LEU A 8 0.216 -16.891 7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.043 -19.654 9.076 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.281 -18.318 10.163 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.354 -19.166 9.262 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.279 -17.100 8.289 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.222 -16.759 9.679 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.628 -16.491 8.023 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.858 -19.060 6.851 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.190 -18.528 6.531 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.494 -20.152 7.193 1.00 0.00 H new ATOM 85 N LYS A 9 2.787 -18.116 9.585 1.00 0.00 N ATOM 86 CA LYS A 9 3.881 -17.766 10.483 1.00 0.00 C ATOM 87 C LYS A 9 4.529 -16.450 10.064 1.00 0.00 C ATOM 88 O LYS A 9 4.897 -15.633 10.908 1.00 0.00 O ATOM 89 CB LYS A 9 4.930 -18.880 10.499 1.00 0.00 C ATOM 90 CG LYS A 9 5.820 -18.859 11.730 1.00 0.00 C ATOM 91 CD LYS A 9 5.061 -19.290 12.974 1.00 0.00 C ATOM 92 CE LYS A 9 5.042 -20.804 13.120 1.00 0.00 C ATOM 93 NZ LYS A 9 4.566 -21.226 14.466 1.00 0.00 N ATOM 0 H LYS A 9 2.849 -19.055 9.191 1.00 0.00 H new ATOM 0 HA LYS A 9 3.471 -17.646 11.486 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.425 -19.844 10.442 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.553 -18.794 9.609 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.672 -19.521 11.575 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.218 -17.855 11.875 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.522 -18.844 13.855 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.039 -18.915 12.925 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.396 -21.234 12.355 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.044 -21.198 12.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.568 -22.264 14.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.197 -20.837 15.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.600 -20.872 14.619 1.00 0.00 H new ATOM 107 N MET A 10 4.664 -16.251 8.757 1.00 0.00 N ATOM 108 CA MET A 10 5.265 -15.032 8.228 1.00 0.00 C ATOM 109 C MET A 10 4.285 -13.866 8.303 1.00 0.00 C ATOM 110 O MET A 10 4.689 -12.709 8.422 1.00 0.00 O ATOM 111 CB MET A 10 5.712 -15.246 6.781 1.00 0.00 C ATOM 112 CG MET A 10 6.986 -16.065 6.653 1.00 0.00 C ATOM 113 SD MET A 10 8.457 -15.142 7.141 1.00 0.00 S ATOM 114 CE MET A 10 9.420 -15.216 5.633 1.00 0.00 C ATOM 0 H MET A 10 4.366 -16.918 8.045 1.00 0.00 H new ATOM 0 HA MET A 10 6.136 -14.791 8.838 1.00 0.00 H new ATOM 0 HB2 MET A 10 4.913 -15.745 6.233 1.00 0.00 H new ATOM 0 HB3 MET A 10 5.865 -14.275 6.309 1.00 0.00 H new ATOM 0 HG2 MET A 10 6.902 -16.960 7.270 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.097 -16.399 5.621 1.00 0.00 H new ATOM 0 HE1 MET A 10 10.362 -14.687 5.777 1.00 0.00 H new ATOM 0 HE2 MET A 10 9.623 -16.257 5.381 1.00 0.00 H new ATOM 0 HE3 MET A 10 8.862 -14.749 4.822 1.00 0.00 H new ATOM 124 N LEU A 11 2.995 -14.178 8.231 1.00 0.00 N ATOM 125 CA LEU A 11 1.957 -13.155 8.290 1.00 0.00 C ATOM 126 C LEU A 11 1.900 -12.516 9.674 1.00 0.00 C ATOM 127 O LEU A 11 2.087 -11.308 9.819 1.00 0.00 O ATOM 128 CB LEU A 11 0.596 -13.760 7.939 1.00 0.00 C ATOM 129 CG LEU A 11 -0.417 -12.809 7.301 1.00 0.00 C ATOM 130 CD1 LEU A 11 -1.567 -13.590 6.685 1.00 0.00 C ATOM 131 CD2 LEU A 11 -0.936 -11.815 8.329 1.00 0.00 C ATOM 0 H LEU A 11 2.644 -15.130 8.132 1.00 0.00 H new ATOM 0 HA LEU A 11 2.203 -12.381 7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.757 -14.596 7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.157 -14.169 8.849 1.00 0.00 H new ATOM 0 HG LEU A 11 0.084 -12.253 6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.278 -12.897 6.236 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.181 -14.262 5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.067 -14.172 7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.656 -11.146 7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.421 -12.353 9.143 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.104 -11.232 8.724 1.00 0.00 H new ATOM 143 N ARG A 12 1.643 -13.335 10.688 1.00 0.00 N ATOM 144 CA ARG A 12 1.563 -12.850 12.061 1.00 0.00 C ATOM 145 C ARG A 12 2.734 -11.925 12.380 1.00 0.00 C ATOM 146 O ARG A 12 2.655 -11.099 13.289 1.00 0.00 O ATOM 147 CB ARG A 12 1.547 -14.026 13.040 1.00 0.00 C ATOM 148 CG ARG A 12 2.762 -14.931 12.925 1.00 0.00 C ATOM 149 CD ARG A 12 2.743 -16.026 13.979 1.00 0.00 C ATOM 150 NE ARG A 12 4.090 -16.438 14.365 1.00 0.00 N ATOM 151 CZ ARG A 12 4.868 -15.735 15.181 1.00 0.00 C ATOM 152 NH1 ARG A 12 4.435 -14.592 15.695 1.00 0.00 N ATOM 153 NH2 ARG A 12 6.082 -16.176 15.485 1.00 0.00 N ATOM 0 H ARG A 12 1.487 -14.338 10.585 1.00 0.00 H new ATOM 0 HA ARG A 12 0.637 -12.285 12.167 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.487 -13.640 14.058 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.647 -14.617 12.870 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.789 -15.381 11.932 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.670 -14.338 13.032 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.206 -15.673 14.859 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.196 -16.888 13.597 1.00 0.00 H new ATOM 0 HE ARG A 12 4.453 -17.313 13.988 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.502 -14.250 15.464 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.035 -14.055 16.321 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.418 -17.055 15.092 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.679 -15.636 16.111 1.00 0.00 H new ATOM 167 N ASP A 13 3.818 -12.071 11.626 1.00 0.00 N ATOM 168 CA ASP A 13 5.005 -11.249 11.828 1.00 0.00 C ATOM 169 C ASP A 13 4.843 -9.887 11.160 1.00 0.00 C ATOM 170 O ASP A 13 5.337 -8.877 11.659 1.00 0.00 O ATOM 171 CB ASP A 13 6.243 -11.958 11.275 1.00 0.00 C ATOM 172 CG ASP A 13 7.521 -11.190 11.551 1.00 0.00 C ATOM 173 OD1 ASP A 13 7.597 -10.006 11.163 1.00 0.00 O ATOM 174 OD2 ASP A 13 8.446 -11.774 12.153 1.00 0.00 O ATOM 0 H ASP A 13 3.899 -12.751 10.870 1.00 0.00 H new ATOM 0 HA ASP A 13 5.132 -11.095 12.900 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.317 -12.952 11.717 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.130 -12.095 10.200 1.00 0.00 H new ATOM 179 N MET A 14 4.148 -9.868 10.027 1.00 0.00 N ATOM 180 CA MET A 14 3.921 -8.631 9.290 1.00 0.00 C ATOM 181 C MET A 14 3.001 -7.696 10.069 1.00 0.00 C ATOM 182 O MET A 14 3.388 -6.582 10.426 1.00 0.00 O ATOM 183 CB MET A 14 3.317 -8.932 7.917 1.00 0.00 C ATOM 184 CG MET A 14 4.353 -9.289 6.863 1.00 0.00 C ATOM 185 SD MET A 14 3.718 -9.126 5.183 1.00 0.00 S ATOM 186 CE MET A 14 2.757 -10.630 5.037 1.00 0.00 C ATOM 0 H MET A 14 3.732 -10.696 9.600 1.00 0.00 H new ATOM 0 HA MET A 14 4.883 -8.137 9.154 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.609 -9.756 8.013 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.751 -8.063 7.579 1.00 0.00 H new ATOM 0 HG2 MET A 14 5.224 -8.645 6.982 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.690 -10.313 7.022 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.892 -11.053 4.041 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.091 -11.349 5.785 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.702 -10.405 5.195 1.00 0.00 H new ATOM 196 N THR A 15 1.781 -8.155 10.330 1.00 0.00 N ATOM 197 CA THR A 15 0.806 -7.359 11.064 1.00 0.00 C ATOM 198 C THR A 15 1.293 -7.060 12.477 1.00 0.00 C ATOM 199 O THR A 15 0.716 -6.233 13.182 1.00 0.00 O ATOM 200 CB THR A 15 -0.556 -8.073 11.144 1.00 0.00 C ATOM 201 OG1 THR A 15 -1.417 -7.386 12.060 1.00 0.00 O ATOM 202 CG2 THR A 15 -0.385 -9.518 11.588 1.00 0.00 C ATOM 0 H THR A 15 1.445 -9.074 10.044 1.00 0.00 H new ATOM 0 HA THR A 15 0.686 -6.423 10.518 1.00 0.00 H new ATOM 0 HB THR A 15 -1.003 -8.066 10.150 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.901 -6.713 12.552 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.361 -10.001 11.637 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.246 -10.046 10.873 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.082 -9.543 12.572 1.00 0.00 H new ATOM 210 N GLY A 16 2.361 -7.738 12.887 1.00 0.00 N ATOM 211 CA GLY A 16 2.909 -7.530 14.214 1.00 0.00 C ATOM 212 C GLY A 16 3.789 -6.298 14.292 1.00 0.00 C ATOM 213 O GLY A 16 3.820 -5.611 15.314 1.00 0.00 O ATOM 0 H GLY A 16 2.857 -8.428 12.323 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.093 -7.435 14.930 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.489 -8.406 14.506 1.00 0.00 H new ATOM 217 N LEU A 17 4.508 -6.018 13.211 1.00 0.00 N ATOM 218 CA LEU A 17 5.395 -4.861 13.161 1.00 0.00 C ATOM 219 C LEU A 17 4.734 -3.640 13.793 1.00 0.00 C ATOM 220 O LEU A 17 3.510 -3.515 13.829 1.00 0.00 O ATOM 221 CB LEU A 17 5.783 -4.553 11.713 1.00 0.00 C ATOM 222 CG LEU A 17 6.602 -5.625 10.995 1.00 0.00 C ATOM 223 CD1 LEU A 17 6.440 -5.501 9.488 1.00 0.00 C ATOM 224 CD2 LEU A 17 8.070 -5.526 11.385 1.00 0.00 C ATOM 0 H LEU A 17 4.494 -6.576 12.357 1.00 0.00 H new ATOM 0 HA LEU A 17 6.294 -5.099 13.729 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.871 -4.379 11.143 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.350 -3.622 11.700 1.00 0.00 H new ATOM 0 HG LEU A 17 6.231 -6.603 11.301 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.030 -6.273 8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.390 -5.623 9.224 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.784 -4.518 9.165 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.638 -6.297 10.864 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.454 -4.544 11.109 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.171 -5.666 12.461 1.00 0.00 H new ATOM 236 N PRO A 18 5.563 -2.716 14.303 1.00 0.00 N ATOM 237 CA PRO A 18 5.081 -1.487 14.941 1.00 0.00 C ATOM 238 C PRO A 18 4.459 -0.520 13.939 1.00 0.00 C ATOM 239 O PRO A 18 3.728 0.396 14.318 1.00 0.00 O ATOM 240 CB PRO A 18 6.349 -0.884 15.551 1.00 0.00 C ATOM 241 CG PRO A 18 7.462 -1.423 14.721 1.00 0.00 C ATOM 242 CD PRO A 18 7.033 -2.800 14.295 1.00 0.00 C ATOM 0 HA PRO A 18 4.295 -1.686 15.669 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.324 0.205 15.520 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.460 -1.171 16.597 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.647 -0.787 13.855 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.390 -1.463 15.291 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.416 -3.052 13.306 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.396 -3.565 14.982 1.00 0.00 H new ATOM 250 N HIS A 19 4.755 -0.728 12.660 1.00 0.00 N ATOM 251 CA HIS A 19 4.223 0.126 11.604 1.00 0.00 C ATOM 252 C HIS A 19 2.946 -0.467 11.017 1.00 0.00 C ATOM 253 O HIS A 19 2.399 0.052 10.045 1.00 0.00 O ATOM 254 CB HIS A 19 5.265 0.316 10.501 1.00 0.00 C ATOM 255 CG HIS A 19 6.094 -0.904 10.243 1.00 0.00 C ATOM 256 ND1 HIS A 19 7.363 -1.073 10.755 1.00 0.00 N ATOM 257 CD2 HIS A 19 5.828 -2.020 9.524 1.00 0.00 C ATOM 258 CE1 HIS A 19 7.843 -2.239 10.360 1.00 0.00 C ATOM 259 NE2 HIS A 19 6.931 -2.834 9.612 1.00 0.00 N ATOM 0 H HIS A 19 5.360 -1.480 12.330 1.00 0.00 H new ATOM 0 HA HIS A 19 3.984 1.096 12.040 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.758 0.602 9.579 1.00 0.00 H new ATOM 0 HB3 HIS A 19 5.923 1.141 10.773 1.00 0.00 H new ATOM 0 HD1 HIS A 19 7.854 -0.403 11.346 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.918 -2.231 8.982 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.816 -2.638 10.607 1.00 0.00 H new ATOM 267 N ASN A 20 2.477 -1.558 11.614 1.00 0.00 N ATOM 268 CA ASN A 20 1.264 -2.222 11.150 1.00 0.00 C ATOM 269 C ASN A 20 0.259 -2.378 12.287 1.00 0.00 C ATOM 270 O ASN A 20 -0.906 -2.703 12.059 1.00 0.00 O ATOM 271 CB ASN A 20 1.602 -3.594 10.562 1.00 0.00 C ATOM 272 CG ASN A 20 2.005 -3.514 9.102 1.00 0.00 C ATOM 273 OD1 ASN A 20 1.190 -3.188 8.239 1.00 0.00 O ATOM 274 ND2 ASN A 20 3.268 -3.812 8.820 1.00 0.00 N ATOM 0 H ASN A 20 2.918 -2.001 12.420 1.00 0.00 H new ATOM 0 HA ASN A 20 0.815 -1.602 10.375 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.413 -4.042 11.136 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.739 -4.252 10.662 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.597 -3.776 7.855 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.909 -4.077 9.568 1.00 0.00 H new ATOM 281 N ARG A 21 0.719 -2.142 13.511 1.00 0.00 N ATOM 282 CA ARG A 21 -0.140 -2.256 14.684 1.00 0.00 C ATOM 283 C ARG A 21 -1.485 -1.578 14.442 1.00 0.00 C ATOM 284 O ARG A 21 -2.510 -1.998 14.979 1.00 0.00 O ATOM 285 CB ARG A 21 0.544 -1.637 15.905 1.00 0.00 C ATOM 286 CG ARG A 21 1.783 -2.391 16.358 1.00 0.00 C ATOM 287 CD ARG A 21 1.422 -3.727 16.989 1.00 0.00 C ATOM 288 NE ARG A 21 0.374 -3.591 17.997 1.00 0.00 N ATOM 289 CZ ARG A 21 0.598 -3.171 19.237 1.00 0.00 C ATOM 290 NH1 ARG A 21 1.826 -2.847 19.620 1.00 0.00 N ATOM 291 NH2 ARG A 21 -0.407 -3.073 20.098 1.00 0.00 N ATOM 0 H ARG A 21 1.681 -1.871 13.717 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.316 -3.315 14.873 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.820 -0.608 15.673 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.169 -1.598 16.729 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.442 -2.556 15.505 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.336 -1.786 17.076 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.091 -4.417 16.213 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.310 -4.164 17.446 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.582 -3.832 17.735 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.602 -2.920 18.962 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.995 -2.525 20.573 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.353 -3.320 19.808 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.233 -2.750 21.050 1.00 0.00 H new ATOM 305 N LYS A 22 -1.473 -0.526 13.631 1.00 0.00 N ATOM 306 CA LYS A 22 -2.691 0.212 13.316 1.00 0.00 C ATOM 307 C LYS A 22 -3.032 0.091 11.834 1.00 0.00 C ATOM 308 O LYS A 22 -2.177 -0.247 11.015 1.00 0.00 O ATOM 309 CB LYS A 22 -2.531 1.686 13.695 1.00 0.00 C ATOM 310 CG LYS A 22 -2.427 1.921 15.192 1.00 0.00 C ATOM 311 CD LYS A 22 -1.689 3.212 15.503 1.00 0.00 C ATOM 312 CE LYS A 22 -1.107 3.196 16.908 1.00 0.00 C ATOM 313 NZ LYS A 22 -0.884 4.572 17.432 1.00 0.00 N ATOM 0 H LYS A 22 -0.633 -0.165 13.179 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.508 -0.219 13.895 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.639 2.082 13.211 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.381 2.247 13.306 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.426 1.958 15.626 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.908 1.083 15.658 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.888 3.359 14.778 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.371 4.056 15.400 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.782 2.659 17.574 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.163 2.652 16.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.487 4.518 18.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.220 5.077 16.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.789 5.084 17.460 1.00 0.00 H new ATOM 327 N CYS A 23 -4.286 0.371 11.496 1.00 0.00 N ATOM 328 CA CYS A 23 -4.741 0.294 10.113 1.00 0.00 C ATOM 329 C CYS A 23 -3.987 1.290 9.237 1.00 0.00 C ATOM 330 O CYS A 23 -3.121 2.023 9.715 1.00 0.00 O ATOM 331 CB CYS A 23 -6.245 0.565 10.033 1.00 0.00 C ATOM 332 SG CYS A 23 -7.080 -0.279 8.651 1.00 0.00 S ATOM 0 H CYS A 23 -5.006 0.653 12.161 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.540 -0.712 9.746 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.710 0.254 10.969 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.405 1.639 9.939 1.00 0.00 H new ATOM 337 N PHE A 24 -4.322 1.311 7.951 1.00 0.00 N ATOM 338 CA PHE A 24 -3.677 2.216 7.007 1.00 0.00 C ATOM 339 C PHE A 24 -4.504 3.483 6.816 1.00 0.00 C ATOM 340 O PHE A 24 -3.970 4.543 6.487 1.00 0.00 O ATOM 341 CB PHE A 24 -3.470 1.520 5.660 1.00 0.00 C ATOM 342 CG PHE A 24 -2.561 2.271 4.730 1.00 0.00 C ATOM 343 CD1 PHE A 24 -1.185 2.203 4.880 1.00 0.00 C ATOM 344 CD2 PHE A 24 -3.082 3.045 3.706 1.00 0.00 C ATOM 345 CE1 PHE A 24 -0.347 2.894 4.026 1.00 0.00 C ATOM 346 CE2 PHE A 24 -2.248 3.738 2.848 1.00 0.00 C ATOM 347 CZ PHE A 24 -0.879 3.661 3.008 1.00 0.00 C ATOM 0 H PHE A 24 -5.037 0.711 7.539 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.706 2.496 7.416 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.058 0.526 5.833 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.438 1.384 5.178 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.763 1.603 5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.152 3.108 3.576 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.724 2.834 4.154 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.667 4.338 2.054 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.225 4.200 2.338 1.00 0.00 H new ATOM 357 N ASP A 25 -5.811 3.366 7.022 1.00 0.00 N ATOM 358 CA ASP A 25 -6.714 4.501 6.873 1.00 0.00 C ATOM 359 C ASP A 25 -7.235 4.963 8.231 1.00 0.00 C ATOM 360 O ASP A 25 -6.862 6.029 8.721 1.00 0.00 O ATOM 361 CB ASP A 25 -7.886 4.132 5.962 1.00 0.00 C ATOM 362 CG ASP A 25 -7.501 3.113 4.908 1.00 0.00 C ATOM 363 OD1 ASP A 25 -6.311 3.072 4.528 1.00 0.00 O ATOM 364 OD2 ASP A 25 -8.388 2.356 4.462 1.00 0.00 O ATOM 0 H ASP A 25 -6.269 2.496 7.293 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.156 5.320 6.420 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.701 3.735 6.567 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.260 5.032 5.474 1.00 0.00 H new ATOM 369 N CYS A 26 -8.101 4.154 8.833 1.00 0.00 N ATOM 370 CA CYS A 26 -8.675 4.479 10.133 1.00 0.00 C ATOM 371 C CYS A 26 -7.625 4.369 11.234 1.00 0.00 C ATOM 372 O CYS A 26 -7.894 4.677 12.396 1.00 0.00 O ATOM 373 CB CYS A 26 -9.852 3.551 10.440 1.00 0.00 C ATOM 374 SG CYS A 26 -9.396 1.793 10.578 1.00 0.00 S ATOM 0 H CYS A 26 -8.420 3.268 8.441 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.032 5.508 10.098 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.318 3.869 11.373 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.601 3.661 9.656 1.00 0.00 H new ATOM 379 N ASP A 27 -6.429 3.929 10.861 1.00 0.00 N ATOM 380 CA ASP A 27 -5.337 3.779 11.816 1.00 0.00 C ATOM 381 C ASP A 27 -5.802 3.027 13.059 1.00 0.00 C ATOM 382 O ASP A 27 -5.301 3.259 14.160 1.00 0.00 O ATOM 383 CB ASP A 27 -4.785 5.150 12.211 1.00 0.00 C ATOM 384 CG ASP A 27 -3.434 5.056 12.893 1.00 0.00 C ATOM 385 OD1 ASP A 27 -2.485 4.545 12.261 1.00 0.00 O ATOM 386 OD2 ASP A 27 -3.325 5.493 14.057 1.00 0.00 O ATOM 0 H ASP A 27 -6.190 3.670 9.904 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.546 3.201 11.338 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.697 5.773 11.321 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.492 5.645 12.878 1.00 0.00 H new ATOM 391 N GLN A 28 -6.761 2.126 12.875 1.00 0.00 N ATOM 392 CA GLN A 28 -7.294 1.341 13.983 1.00 0.00 C ATOM 393 C GLN A 28 -6.278 0.307 14.456 1.00 0.00 C ATOM 394 O GLN A 28 -5.740 -0.460 13.656 1.00 0.00 O ATOM 395 CB GLN A 28 -8.591 0.645 13.565 1.00 0.00 C ATOM 396 CG GLN A 28 -9.308 -0.046 14.713 1.00 0.00 C ATOM 397 CD GLN A 28 -8.553 -1.257 15.227 1.00 0.00 C ATOM 398 OE1 GLN A 28 -8.214 -1.336 16.408 1.00 0.00 O ATOM 399 NE2 GLN A 28 -8.287 -2.209 14.341 1.00 0.00 N ATOM 0 H GLN A 28 -7.185 1.921 11.970 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.504 2.021 14.809 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.261 1.380 13.119 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.366 -0.091 12.793 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.448 0.663 15.529 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.301 -0.354 14.384 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.587 -2.102 13.372 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.783 -3.047 14.629 1.00 0.00 H new ATOM 408 N ARG A 29 -6.020 0.291 15.759 1.00 0.00 N ATOM 409 CA ARG A 29 -5.067 -0.648 16.338 1.00 0.00 C ATOM 410 C ARG A 29 -5.623 -2.068 16.318 1.00 0.00 C ATOM 411 O ARG A 29 -6.265 -2.508 17.271 1.00 0.00 O ATOM 412 CB ARG A 29 -4.726 -0.242 17.773 1.00 0.00 C ATOM 413 CG ARG A 29 -5.923 -0.250 18.709 1.00 0.00 C ATOM 414 CD ARG A 29 -5.708 0.675 19.896 1.00 0.00 C ATOM 415 NE ARG A 29 -5.498 2.060 19.481 1.00 0.00 N ATOM 416 CZ ARG A 29 -6.468 2.847 19.028 1.00 0.00 C ATOM 417 NH1 ARG A 29 -7.709 2.388 18.935 1.00 0.00 N ATOM 418 NH2 ARG A 29 -6.198 4.095 18.669 1.00 0.00 N ATOM 0 H ARG A 29 -6.458 0.918 16.434 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.159 -0.623 15.736 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.966 -0.920 18.163 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.289 0.756 17.765 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.815 0.058 18.163 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.101 -1.265 19.065 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.573 0.622 20.558 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.846 0.334 20.470 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.555 2.444 19.542 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.920 1.429 19.212 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.452 2.994 18.587 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.245 4.451 18.741 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.943 4.698 18.321 1.00 0.00 H new ATOM 432 N GLY A 30 -5.372 -2.782 15.225 1.00 0.00 N ATOM 433 CA GLY A 30 -5.855 -4.145 15.101 1.00 0.00 C ATOM 434 C GLY A 30 -6.358 -4.457 13.705 1.00 0.00 C ATOM 435 O GLY A 30 -7.549 -4.682 13.487 1.00 0.00 O ATOM 0 H GLY A 30 -4.843 -2.441 14.423 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.052 -4.836 15.358 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.659 -4.309 15.819 1.00 0.00 H new ATOM 439 N PRO A 31 -5.437 -4.472 12.730 1.00 0.00 N ATOM 440 CA PRO A 31 -5.771 -4.757 11.331 1.00 0.00 C ATOM 441 C PRO A 31 -6.166 -6.213 11.114 1.00 0.00 C ATOM 442 O PRO A 31 -5.529 -7.126 11.641 1.00 0.00 O ATOM 443 CB PRO A 31 -4.472 -4.438 10.585 1.00 0.00 C ATOM 444 CG PRO A 31 -3.398 -4.619 11.601 1.00 0.00 C ATOM 445 CD PRO A 31 -4.000 -4.213 12.918 1.00 0.00 C ATOM 0 HA PRO A 31 -6.629 -4.177 10.990 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.329 -5.105 9.735 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.480 -3.421 10.194 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.059 -5.654 11.630 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.529 -4.005 11.364 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.591 -4.796 13.743 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.807 -3.164 13.142 1.00 0.00 H new ATOM 453 N THR A 32 -7.222 -6.425 10.334 1.00 0.00 N ATOM 454 CA THR A 32 -7.703 -7.771 10.048 1.00 0.00 C ATOM 455 C THR A 32 -7.832 -8.001 8.547 1.00 0.00 C ATOM 456 O THR A 32 -8.526 -8.918 8.107 1.00 0.00 O ATOM 457 CB THR A 32 -9.066 -8.034 10.716 1.00 0.00 C ATOM 458 OG1 THR A 32 -9.583 -9.300 10.291 1.00 0.00 O ATOM 459 CG2 THR A 32 -10.058 -6.934 10.372 1.00 0.00 C ATOM 0 H THR A 32 -7.760 -5.681 9.889 1.00 0.00 H new ATOM 0 HA THR A 32 -6.967 -8.463 10.457 1.00 0.00 H new ATOM 0 HB THR A 32 -8.921 -8.045 11.796 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.795 -9.262 9.335 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.013 -7.141 10.855 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.675 -5.976 10.722 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.198 -6.895 9.292 1.00 0.00 H new ATOM 467 N TYR A 33 -7.160 -7.164 7.765 1.00 0.00 N ATOM 468 CA TYR A 33 -7.202 -7.275 6.312 1.00 0.00 C ATOM 469 C TYR A 33 -5.899 -6.782 5.690 1.00 0.00 C ATOM 470 O TYR A 33 -5.131 -6.057 6.322 1.00 0.00 O ATOM 471 CB TYR A 33 -8.381 -6.478 5.752 1.00 0.00 C ATOM 472 CG TYR A 33 -9.686 -7.241 5.759 1.00 0.00 C ATOM 473 CD1 TYR A 33 -10.373 -7.471 6.945 1.00 0.00 C ATOM 474 CD2 TYR A 33 -10.233 -7.733 4.580 1.00 0.00 C ATOM 475 CE1 TYR A 33 -11.565 -8.168 6.957 1.00 0.00 C ATOM 476 CE2 TYR A 33 -11.425 -8.430 4.582 1.00 0.00 C ATOM 477 CZ TYR A 33 -12.088 -8.645 5.773 1.00 0.00 C ATOM 478 OH TYR A 33 -13.275 -9.341 5.779 1.00 0.00 O ATOM 0 H TYR A 33 -6.579 -6.401 8.113 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.330 -8.327 6.057 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.501 -5.565 6.335 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.152 -6.176 4.730 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -9.967 -7.098 7.874 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.717 -7.567 3.646 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.085 -8.339 7.888 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.836 -8.805 3.656 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.504 -9.605 4.864 1.00 0.00 H new ATOM 488 N VAL A 34 -5.657 -7.181 4.445 1.00 0.00 N ATOM 489 CA VAL A 34 -4.448 -6.780 3.735 1.00 0.00 C ATOM 490 C VAL A 34 -4.740 -6.510 2.263 1.00 0.00 C ATOM 491 O VAL A 34 -5.375 -7.319 1.588 1.00 0.00 O ATOM 492 CB VAL A 34 -3.351 -7.855 3.842 1.00 0.00 C ATOM 493 CG1 VAL A 34 -2.851 -7.968 5.274 1.00 0.00 C ATOM 494 CG2 VAL A 34 -3.870 -9.196 3.343 1.00 0.00 C ATOM 0 H VAL A 34 -6.282 -7.781 3.907 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.093 -5.863 4.206 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.512 -7.557 3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.076 -8.733 5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.439 -7.010 5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.679 -8.242 5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.082 -9.945 3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.726 -9.502 3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.175 -9.103 2.301 1.00 0.00 H new ATOM 504 N ASN A 35 -4.270 -5.368 1.772 1.00 0.00 N ATOM 505 CA ASN A 35 -4.481 -4.991 0.379 1.00 0.00 C ATOM 506 C ASN A 35 -3.421 -5.621 -0.521 1.00 0.00 C ATOM 507 O ASN A 35 -2.229 -5.358 -0.370 1.00 0.00 O ATOM 508 CB ASN A 35 -4.452 -3.469 0.231 1.00 0.00 C ATOM 509 CG ASN A 35 -4.981 -3.009 -1.114 1.00 0.00 C ATOM 510 OD1 ASN A 35 -4.701 -3.619 -2.146 1.00 0.00 O ATOM 511 ND2 ASN A 35 -5.751 -1.927 -1.108 1.00 0.00 N ATOM 0 H ASN A 35 -3.741 -4.688 2.318 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.460 -5.360 0.072 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.046 -3.018 1.026 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.429 -3.114 0.357 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.136 -1.570 -1.983 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.957 -1.453 -0.229 1.00 0.00 H new ATOM 518 N MET A 36 -3.866 -6.453 -1.456 1.00 0.00 N ATOM 519 CA MET A 36 -2.956 -7.119 -2.381 1.00 0.00 C ATOM 520 C MET A 36 -2.435 -6.141 -3.429 1.00 0.00 C ATOM 521 O MET A 36 -1.369 -6.347 -4.011 1.00 0.00 O ATOM 522 CB MET A 36 -3.660 -8.292 -3.067 1.00 0.00 C ATOM 523 CG MET A 36 -3.643 -9.573 -2.250 1.00 0.00 C ATOM 524 SD MET A 36 -2.176 -10.574 -2.559 1.00 0.00 S ATOM 525 CE MET A 36 -0.913 -9.576 -1.774 1.00 0.00 C ATOM 0 H MET A 36 -4.850 -6.682 -1.594 1.00 0.00 H new ATOM 0 HA MET A 36 -2.109 -7.497 -1.809 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.694 -8.015 -3.272 1.00 0.00 H new ATOM 0 HB3 MET A 36 -3.184 -8.478 -4.030 1.00 0.00 H new ATOM 0 HG2 MET A 36 -3.692 -9.324 -1.190 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.533 -10.159 -2.481 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.002 -10.159 -1.675 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.717 -8.693 -2.382 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.255 -9.267 -0.786 1.00 0.00 H new ATOM 535 N THR A 37 -3.193 -5.075 -3.667 1.00 0.00 N ATOM 536 CA THR A 37 -2.807 -4.066 -4.645 1.00 0.00 C ATOM 537 C THR A 37 -1.781 -3.100 -4.064 1.00 0.00 C ATOM 538 O THR A 37 -0.659 -2.999 -4.560 1.00 0.00 O ATOM 539 CB THR A 37 -4.028 -3.265 -5.137 1.00 0.00 C ATOM 540 OG1 THR A 37 -4.964 -4.141 -5.774 1.00 0.00 O ATOM 541 CG2 THR A 37 -3.604 -2.174 -6.108 1.00 0.00 C ATOM 0 H THR A 37 -4.078 -4.888 -3.195 1.00 0.00 H new ATOM 0 HA THR A 37 -2.365 -4.597 -5.488 1.00 0.00 H new ATOM 0 HB THR A 37 -4.500 -2.797 -4.273 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.738 -3.625 -6.082 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.483 -1.622 -6.442 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.914 -1.492 -5.610 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.110 -2.625 -6.969 1.00 0.00 H new ATOM 549 N VAL A 38 -2.172 -2.392 -3.009 1.00 0.00 N ATOM 550 CA VAL A 38 -1.284 -1.435 -2.359 1.00 0.00 C ATOM 551 C VAL A 38 -0.223 -2.147 -1.528 1.00 0.00 C ATOM 552 O VAL A 38 0.866 -1.618 -1.309 1.00 0.00 O ATOM 553 CB VAL A 38 -2.068 -0.469 -1.452 1.00 0.00 C ATOM 554 CG1 VAL A 38 -1.196 0.709 -1.045 1.00 0.00 C ATOM 555 CG2 VAL A 38 -3.333 0.010 -2.150 1.00 0.00 C ATOM 0 H VAL A 38 -3.098 -2.463 -2.586 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.799 -0.865 -3.151 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.359 -1.004 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.768 1.381 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.323 0.345 -0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.871 1.246 -1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.874 0.692 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.066 0.528 -3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.965 -0.846 -2.385 1.00 0.00 H new ATOM 565 N GLY A 39 -0.548 -3.351 -1.069 1.00 0.00 N ATOM 566 CA GLY A 39 0.389 -4.117 -0.267 1.00 0.00 C ATOM 567 C GLY A 39 0.454 -3.633 1.168 1.00 0.00 C ATOM 568 O GLY A 39 1.516 -3.658 1.791 1.00 0.00 O ATOM 0 H GLY A 39 -1.443 -3.810 -1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.100 -5.168 -0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.381 -4.054 -0.714 1.00 0.00 H new ATOM 572 N SER A 40 -0.683 -3.190 1.694 1.00 0.00 N ATOM 573 CA SER A 40 -0.749 -2.693 3.063 1.00 0.00 C ATOM 574 C SER A 40 -1.653 -3.576 3.919 1.00 0.00 C ATOM 575 O SER A 40 -2.205 -4.567 3.441 1.00 0.00 O ATOM 576 CB SER A 40 -1.262 -1.251 3.081 1.00 0.00 C ATOM 577 OG SER A 40 -2.672 -1.210 2.952 1.00 0.00 O ATOM 0 H SER A 40 -1.571 -3.165 1.193 1.00 0.00 H new ATOM 0 HA SER A 40 0.257 -2.719 3.481 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.965 -0.767 4.012 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.803 -0.688 2.268 1.00 0.00 H new ATOM 0 HG SER A 40 -2.975 -0.278 2.968 1.00 0.00 H new ATOM 583 N PHE A 41 -1.799 -3.209 5.188 1.00 0.00 N ATOM 584 CA PHE A 41 -2.634 -3.967 6.112 1.00 0.00 C ATOM 585 C PHE A 41 -3.830 -3.137 6.570 1.00 0.00 C ATOM 586 O PHE A 41 -3.697 -2.244 7.406 1.00 0.00 O ATOM 587 CB PHE A 41 -1.815 -4.413 7.325 1.00 0.00 C ATOM 588 CG PHE A 41 -0.941 -5.604 7.053 1.00 0.00 C ATOM 589 CD1 PHE A 41 -0.091 -5.621 5.958 1.00 0.00 C ATOM 590 CD2 PHE A 41 -0.970 -6.707 7.891 1.00 0.00 C ATOM 591 CE1 PHE A 41 0.715 -6.715 5.705 1.00 0.00 C ATOM 592 CE2 PHE A 41 -0.166 -7.804 7.643 1.00 0.00 C ATOM 593 CZ PHE A 41 0.676 -7.808 6.548 1.00 0.00 C ATOM 0 H PHE A 41 -1.350 -2.391 5.600 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.004 -4.848 5.588 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.191 -3.583 7.657 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.494 -4.650 8.144 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.058 -4.769 5.295 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.628 -6.710 8.747 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.374 -6.715 4.849 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.196 -8.657 8.305 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.303 -8.665 6.351 1.00 0.00 H new ATOM 603 N VAL A 42 -5.000 -3.440 6.014 1.00 0.00 N ATOM 604 CA VAL A 42 -6.220 -2.723 6.365 1.00 0.00 C ATOM 605 C VAL A 42 -7.120 -3.573 7.255 1.00 0.00 C ATOM 606 O VAL A 42 -6.747 -4.674 7.663 1.00 0.00 O ATOM 607 CB VAL A 42 -7.007 -2.306 5.108 1.00 0.00 C ATOM 608 CG1 VAL A 42 -6.213 -1.298 4.291 1.00 0.00 C ATOM 609 CG2 VAL A 42 -7.356 -3.526 4.269 1.00 0.00 C ATOM 0 H VAL A 42 -5.128 -4.176 5.320 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.916 -1.828 6.908 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.936 -1.832 5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.785 -1.015 3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.018 -0.412 4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.267 -1.743 3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.912 -3.213 3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.440 -4.030 3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.967 -4.210 4.858 1.00 0.00 H new ATOM 619 N CYS A 43 -8.307 -3.056 7.552 1.00 0.00 N ATOM 620 CA CYS A 43 -9.262 -3.767 8.394 1.00 0.00 C ATOM 621 C CYS A 43 -10.528 -4.107 7.614 1.00 0.00 C ATOM 622 O CYS A 43 -10.648 -3.783 6.431 1.00 0.00 O ATOM 623 CB CYS A 43 -9.617 -2.925 9.622 1.00 0.00 C ATOM 624 SG CYS A 43 -10.555 -1.411 9.239 1.00 0.00 S ATOM 0 H CYS A 43 -8.631 -2.147 7.222 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.797 -4.697 8.721 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.199 -3.536 10.312 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.698 -2.649 10.138 1.00 0.00 H new ATOM 629 N THR A 44 -11.472 -4.761 8.283 1.00 0.00 N ATOM 630 CA THR A 44 -12.729 -5.145 7.654 1.00 0.00 C ATOM 631 C THR A 44 -13.497 -3.921 7.167 1.00 0.00 C ATOM 632 O THR A 44 -14.104 -3.943 6.096 1.00 0.00 O ATOM 633 CB THR A 44 -13.621 -5.945 8.622 1.00 0.00 C ATOM 634 OG1 THR A 44 -14.833 -6.333 7.964 1.00 0.00 O ATOM 635 CG2 THR A 44 -13.950 -5.123 9.859 1.00 0.00 C ATOM 0 H THR A 44 -11.389 -5.036 9.262 1.00 0.00 H new ATOM 0 HA THR A 44 -12.476 -5.775 6.801 1.00 0.00 H new ATOM 0 HB THR A 44 -13.075 -6.836 8.932 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.394 -6.842 8.585 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.581 -5.709 10.528 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.027 -4.854 10.373 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.478 -4.216 9.564 1.00 0.00 H new ATOM 643 N SER A 45 -13.465 -2.855 7.959 1.00 0.00 N ATOM 644 CA SER A 45 -14.162 -1.622 7.609 1.00 0.00 C ATOM 645 C SER A 45 -13.609 -1.034 6.315 1.00 0.00 C ATOM 646 O SER A 45 -14.338 -0.857 5.338 1.00 0.00 O ATOM 647 CB SER A 45 -14.034 -0.601 8.742 1.00 0.00 C ATOM 648 OG SER A 45 -14.971 -0.863 9.772 1.00 0.00 O ATOM 0 H SER A 45 -12.964 -2.819 8.847 1.00 0.00 H new ATOM 0 HA SER A 45 -15.215 -1.859 7.459 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.023 -0.630 9.149 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.191 0.404 8.350 1.00 0.00 H new ATOM 0 HG SER A 45 -14.868 -0.198 10.485 1.00 0.00 H new ATOM 654 N CYS A 46 -12.314 -0.734 6.314 1.00 0.00 N ATOM 655 CA CYS A 46 -11.661 -0.166 5.141 1.00 0.00 C ATOM 656 C CYS A 46 -11.723 -1.132 3.962 1.00 0.00 C ATOM 657 O CYS A 46 -12.135 -0.762 2.863 1.00 0.00 O ATOM 658 CB CYS A 46 -10.204 0.177 5.459 1.00 0.00 C ATOM 659 SG CYS A 46 -10.001 1.397 6.796 1.00 0.00 S ATOM 0 H CYS A 46 -11.696 -0.875 7.113 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.191 0.747 4.867 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.678 -0.738 5.734 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.727 0.560 4.557 1.00 0.00 H new ATOM 664 N SER A 47 -11.310 -2.373 4.200 1.00 0.00 N ATOM 665 CA SER A 47 -11.315 -3.393 3.157 1.00 0.00 C ATOM 666 C SER A 47 -12.543 -3.250 2.263 1.00 0.00 C ATOM 667 O SER A 47 -12.444 -3.313 1.039 1.00 0.00 O ATOM 668 CB SER A 47 -11.283 -4.790 3.781 1.00 0.00 C ATOM 669 OG SER A 47 -12.405 -4.999 4.621 1.00 0.00 O ATOM 0 H SER A 47 -10.968 -2.696 5.105 1.00 0.00 H new ATOM 0 HA SER A 47 -10.424 -3.256 2.544 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.269 -5.543 2.993 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.366 -4.914 4.357 1.00 0.00 H new ATOM 0 HG SER A 47 -12.785 -4.134 4.881 1.00 0.00 H new ATOM 675 N GLY A 48 -13.701 -3.058 2.887 1.00 0.00 N ATOM 676 CA GLY A 48 -14.933 -2.909 2.134 1.00 0.00 C ATOM 677 C GLY A 48 -14.999 -1.593 1.384 1.00 0.00 C ATOM 678 O GLY A 48 -15.507 -1.534 0.264 1.00 0.00 O ATOM 0 H GLY A 48 -13.808 -3.003 3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.024 -3.732 1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.782 -2.979 2.814 1.00 0.00 H new ATOM 682 N SER A 49 -14.486 -0.535 2.003 1.00 0.00 N ATOM 683 CA SER A 49 -14.494 0.788 1.389 1.00 0.00 C ATOM 684 C SER A 49 -13.648 0.802 0.119 1.00 0.00 C ATOM 685 O SER A 49 -14.131 1.152 -0.959 1.00 0.00 O ATOM 686 CB SER A 49 -13.972 1.834 2.375 1.00 0.00 C ATOM 687 OG SER A 49 -14.675 1.772 3.604 1.00 0.00 O ATOM 0 H SER A 49 -14.060 -0.568 2.929 1.00 0.00 H new ATOM 0 HA SER A 49 -15.522 1.032 1.123 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.909 1.673 2.552 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.076 2.829 1.943 1.00 0.00 H new ATOM 0 HG SER A 49 -14.383 0.984 4.109 1.00 0.00 H new ATOM 693 N LEU A 50 -12.383 0.421 0.254 1.00 0.00 N ATOM 694 CA LEU A 50 -11.468 0.390 -0.881 1.00 0.00 C ATOM 695 C LEU A 50 -12.165 -0.143 -2.128 1.00 0.00 C ATOM 696 O LEU A 50 -12.075 0.450 -3.203 1.00 0.00 O ATOM 697 CB LEU A 50 -10.249 -0.476 -0.556 1.00 0.00 C ATOM 698 CG LEU A 50 -9.231 0.133 0.409 1.00 0.00 C ATOM 699 CD1 LEU A 50 -8.534 -0.957 1.209 1.00 0.00 C ATOM 700 CD2 LEU A 50 -8.214 0.973 -0.350 1.00 0.00 C ATOM 0 H LEU A 50 -11.967 0.129 1.139 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.139 1.410 -1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.600 -1.418 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.738 -0.714 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.762 0.782 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.813 -0.504 1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.273 -1.517 1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.015 -1.632 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.497 1.399 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.688 0.345 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.727 1.777 -0.877 1.00 0.00 H new ATOM 712 N ARG A 51 -12.863 -1.264 -1.977 1.00 0.00 N ATOM 713 CA ARG A 51 -13.577 -1.876 -3.091 1.00 0.00 C ATOM 714 C ARG A 51 -14.456 -0.851 -3.802 1.00 0.00 C ATOM 715 O ARG A 51 -14.478 -0.782 -5.030 1.00 0.00 O ATOM 716 CB ARG A 51 -14.434 -3.042 -2.595 1.00 0.00 C ATOM 717 CG ARG A 51 -13.622 -4.209 -2.056 1.00 0.00 C ATOM 718 CD ARG A 51 -14.513 -5.249 -1.395 1.00 0.00 C ATOM 719 NE ARG A 51 -15.058 -6.197 -2.362 1.00 0.00 N ATOM 720 CZ ARG A 51 -16.144 -5.962 -3.090 1.00 0.00 C ATOM 721 NH1 ARG A 51 -16.797 -4.816 -2.961 1.00 0.00 N ATOM 722 NH2 ARG A 51 -16.578 -6.875 -3.950 1.00 0.00 N ATOM 0 H ARG A 51 -12.949 -1.767 -1.094 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.840 -2.251 -3.801 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -15.102 -2.683 -1.812 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.062 -3.394 -3.413 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.063 -4.671 -2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.891 -3.843 -1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.941 -5.789 -0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -15.331 -4.749 -0.877 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.579 -7.089 -2.485 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.466 -4.112 -2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.631 -4.638 -3.521 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -16.078 -7.758 -4.052 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.412 -6.694 -4.509 1.00 0.00 H new ATOM 736 N GLY A 52 -15.180 -0.056 -3.019 1.00 0.00 N ATOM 737 CA GLY A 52 -16.051 0.954 -3.592 1.00 0.00 C ATOM 738 C GLY A 52 -15.345 1.814 -4.620 1.00 0.00 C ATOM 739 O GLY A 52 -15.955 2.259 -5.594 1.00 0.00 O ATOM 0 H GLY A 52 -15.179 -0.093 -2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.909 0.468 -4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.438 1.590 -2.796 1.00 0.00 H new ATOM 743 N LEU A 53 -14.055 2.051 -4.405 1.00 0.00 N ATOM 744 CA LEU A 53 -13.264 2.866 -5.321 1.00 0.00 C ATOM 745 C LEU A 53 -13.226 2.241 -6.712 1.00 0.00 C ATOM 746 O LEU A 53 -13.692 1.120 -6.912 1.00 0.00 O ATOM 747 CB LEU A 53 -11.841 3.034 -4.786 1.00 0.00 C ATOM 748 CG LEU A 53 -11.715 3.676 -3.404 1.00 0.00 C ATOM 749 CD1 LEU A 53 -10.311 3.483 -2.852 1.00 0.00 C ATOM 750 CD2 LEU A 53 -12.065 5.155 -3.470 1.00 0.00 C ATOM 0 H LEU A 53 -13.535 1.691 -3.605 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.736 3.846 -5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.368 2.052 -4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.276 3.636 -5.497 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.418 3.186 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.240 3.946 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.096 2.418 -2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.589 3.946 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.970 5.596 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.386 5.659 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -13.090 5.271 -3.822 1.00 0.00 H new ATOM 762 N ASN A 54 -12.666 2.973 -7.669 1.00 0.00 N ATOM 763 CA ASN A 54 -12.566 2.490 -9.042 1.00 0.00 C ATOM 764 C ASN A 54 -11.235 2.898 -9.666 1.00 0.00 C ATOM 765 O ASN A 54 -10.896 4.079 -9.749 1.00 0.00 O ATOM 766 CB ASN A 54 -13.724 3.031 -9.881 1.00 0.00 C ATOM 767 CG ASN A 54 -13.875 2.298 -11.200 1.00 0.00 C ATOM 768 OD1 ASN A 54 -13.844 1.068 -11.246 1.00 0.00 O ATOM 769 ND2 ASN A 54 -14.039 3.052 -12.281 1.00 0.00 N ATOM 0 H ASN A 54 -12.274 3.903 -7.520 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.619 1.401 -9.023 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.651 2.946 -9.313 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.564 4.092 -10.074 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.146 2.615 -13.196 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.058 4.068 -12.196 1.00 0.00 H new ATOM 776 N PRO A 55 -10.462 1.900 -10.118 1.00 0.00 N ATOM 777 CA PRO A 55 -10.854 0.490 -10.025 1.00 0.00 C ATOM 778 C PRO A 55 -10.844 -0.020 -8.588 1.00 0.00 C ATOM 779 O PRO A 55 -10.122 0.486 -7.729 1.00 0.00 O ATOM 780 CB PRO A 55 -9.790 -0.230 -10.856 1.00 0.00 C ATOM 781 CG PRO A 55 -8.602 0.668 -10.811 1.00 0.00 C ATOM 782 CD PRO A 55 -9.145 2.069 -10.754 1.00 0.00 C ATOM 0 HA PRO A 55 -11.872 0.326 -10.378 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.560 -1.211 -10.441 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.128 -0.388 -11.880 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.983 0.453 -9.940 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.974 0.528 -11.691 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.499 2.727 -10.172 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.232 2.507 -11.748 1.00 0.00 H new ATOM 790 N PRO A 56 -11.663 -1.048 -8.318 1.00 0.00 N ATOM 791 CA PRO A 56 -11.766 -1.650 -6.986 1.00 0.00 C ATOM 792 C PRO A 56 -10.509 -2.424 -6.601 1.00 0.00 C ATOM 793 O PRO A 56 -10.153 -3.409 -7.248 1.00 0.00 O ATOM 794 CB PRO A 56 -12.960 -2.599 -7.116 1.00 0.00 C ATOM 795 CG PRO A 56 -13.023 -2.930 -8.567 1.00 0.00 C ATOM 796 CD PRO A 56 -12.553 -1.701 -9.294 1.00 0.00 C ATOM 0 HA PRO A 56 -11.886 -0.897 -6.207 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.821 -3.495 -6.511 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.881 -2.125 -6.777 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.390 -3.787 -8.799 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.038 -3.194 -8.863 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.025 -1.955 -10.213 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.386 -1.056 -9.573 1.00 0.00 H new ATOM 804 N HIS A 57 -9.842 -1.972 -5.544 1.00 0.00 N ATOM 805 CA HIS A 57 -8.625 -2.623 -5.073 1.00 0.00 C ATOM 806 C HIS A 57 -8.901 -4.072 -4.682 1.00 0.00 C ATOM 807 O HIS A 57 -10.022 -4.559 -4.820 1.00 0.00 O ATOM 808 CB HIS A 57 -8.043 -1.862 -3.881 1.00 0.00 C ATOM 809 CG HIS A 57 -7.427 -0.549 -4.251 1.00 0.00 C ATOM 810 ND1 HIS A 57 -6.476 0.082 -3.477 1.00 0.00 N ATOM 811 CD2 HIS A 57 -7.629 0.253 -5.323 1.00 0.00 C ATOM 812 CE1 HIS A 57 -6.122 1.216 -4.055 1.00 0.00 C ATOM 813 NE2 HIS A 57 -6.806 1.343 -5.177 1.00 0.00 N ATOM 0 H HIS A 57 -10.124 -1.158 -4.998 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.900 -2.617 -5.887 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.833 -1.690 -3.150 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.290 -2.483 -3.397 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.310 0.070 -6.141 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.396 1.920 -3.674 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.735 2.124 -5.830 1.00 0.00 H new ATOM 821 N ARG A 58 -7.870 -4.754 -4.194 1.00 0.00 N ATOM 822 CA ARG A 58 -8.001 -6.147 -3.785 1.00 0.00 C ATOM 823 C ARG A 58 -7.649 -6.316 -2.310 1.00 0.00 C ATOM 824 O ARG A 58 -6.508 -6.092 -1.903 1.00 0.00 O ATOM 825 CB ARG A 58 -7.100 -7.039 -4.641 1.00 0.00 C ATOM 826 CG ARG A 58 -7.370 -6.925 -6.132 1.00 0.00 C ATOM 827 CD ARG A 58 -6.165 -7.361 -6.952 1.00 0.00 C ATOM 828 NE ARG A 58 -6.534 -7.722 -8.318 1.00 0.00 N ATOM 829 CZ ARG A 58 -5.769 -8.461 -9.114 1.00 0.00 C ATOM 830 NH1 ARG A 58 -4.600 -8.913 -8.683 1.00 0.00 N ATOM 831 NH2 ARG A 58 -6.174 -8.748 -10.345 1.00 0.00 N ATOM 0 H ARG A 58 -6.935 -4.365 -4.072 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.039 -6.446 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.059 -6.781 -4.448 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.233 -8.076 -4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.232 -7.539 -6.395 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.626 -5.895 -6.379 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.432 -6.555 -6.976 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.687 -8.213 -6.469 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.427 -7.389 -8.681 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.285 -8.694 -7.738 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.015 -9.480 -9.296 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.073 -8.401 -10.680 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.586 -9.315 -10.956 1.00 0.00 H new ATOM 845 N VAL A 59 -8.636 -6.713 -1.513 1.00 0.00 N ATOM 846 CA VAL A 59 -8.430 -6.913 -0.083 1.00 0.00 C ATOM 847 C VAL A 59 -8.783 -8.338 0.329 1.00 0.00 C ATOM 848 O VAL A 59 -9.691 -8.952 -0.233 1.00 0.00 O ATOM 849 CB VAL A 59 -9.271 -5.926 0.748 1.00 0.00 C ATOM 850 CG1 VAL A 59 -8.606 -4.559 0.788 1.00 0.00 C ATOM 851 CG2 VAL A 59 -10.682 -5.826 0.187 1.00 0.00 C ATOM 0 H VAL A 59 -9.586 -6.902 -1.833 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.373 -6.733 0.113 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.336 -6.301 1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.215 -3.875 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.618 -4.648 1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.508 -4.172 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.263 -5.125 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.640 -5.475 -0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.156 -6.807 0.217 1.00 0.00 H new ATOM 861 N LYS A 60 -8.061 -8.859 1.314 1.00 0.00 N ATOM 862 CA LYS A 60 -8.297 -10.212 1.805 1.00 0.00 C ATOM 863 C LYS A 60 -8.054 -10.296 3.308 1.00 0.00 C ATOM 864 O LYS A 60 -7.001 -9.890 3.800 1.00 0.00 O ATOM 865 CB LYS A 60 -7.392 -11.207 1.075 1.00 0.00 C ATOM 866 CG LYS A 60 -7.898 -11.590 -0.305 1.00 0.00 C ATOM 867 CD LYS A 60 -6.790 -12.178 -1.162 1.00 0.00 C ATOM 868 CE LYS A 60 -6.468 -13.607 -0.755 1.00 0.00 C ATOM 869 NZ LYS A 60 -5.375 -14.187 -1.583 1.00 0.00 N ATOM 0 H LYS A 60 -7.306 -8.364 1.789 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.339 -10.466 1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.395 -10.777 0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.294 -12.108 1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.708 -12.314 -0.209 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.313 -10.711 -0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.089 -12.156 -2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.895 -11.563 -1.073 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.178 -13.629 0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.362 -14.222 -0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.966 -15.008 -1.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.758 -14.488 -2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.636 -13.471 -1.734 1.00 0.00 H new ATOM 883 N SER A 61 -9.035 -10.825 4.033 1.00 0.00 N ATOM 884 CA SER A 61 -8.928 -10.960 5.481 1.00 0.00 C ATOM 885 C SER A 61 -7.638 -11.679 5.866 1.00 0.00 C ATOM 886 O SER A 61 -7.051 -12.399 5.057 1.00 0.00 O ATOM 887 CB SER A 61 -10.134 -11.722 6.034 1.00 0.00 C ATOM 888 OG SER A 61 -10.438 -11.306 7.354 1.00 0.00 O ATOM 0 H SER A 61 -9.912 -11.167 3.641 1.00 0.00 H new ATOM 0 HA SER A 61 -8.909 -9.960 5.914 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.998 -11.559 5.390 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.927 -12.792 6.025 1.00 0.00 H new ATOM 0 HG SER A 61 -10.778 -10.387 7.337 1.00 0.00 H new ATOM 894 N ILE A 62 -7.204 -11.478 7.105 1.00 0.00 N ATOM 895 CA ILE A 62 -5.985 -12.108 7.599 1.00 0.00 C ATOM 896 C ILE A 62 -6.285 -13.455 8.246 1.00 0.00 C ATOM 897 O ILE A 62 -5.527 -14.412 8.091 1.00 0.00 O ATOM 898 CB ILE A 62 -5.261 -11.210 8.620 1.00 0.00 C ATOM 899 CG1 ILE A 62 -4.960 -9.842 8.005 1.00 0.00 C ATOM 900 CG2 ILE A 62 -3.980 -11.877 9.097 1.00 0.00 C ATOM 901 CD1 ILE A 62 -4.566 -8.795 9.024 1.00 0.00 C ATOM 0 H ILE A 62 -7.678 -10.884 7.786 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.336 -12.259 6.736 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.913 -11.064 9.481 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.156 -9.949 7.277 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.839 -9.496 7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.480 -11.230 9.818 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.220 -12.830 9.569 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.321 -12.050 8.246 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.367 -7.851 8.517 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.378 -8.659 9.739 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.669 -9.120 9.551 1.00 0.00 H new ATOM 913 N SER A 63 -7.397 -13.523 8.970 1.00 0.00 N ATOM 914 CA SER A 63 -7.798 -14.753 9.643 1.00 0.00 C ATOM 915 C SER A 63 -8.935 -15.439 8.891 1.00 0.00 C ATOM 916 O SER A 63 -9.052 -16.664 8.904 1.00 0.00 O ATOM 917 CB SER A 63 -8.228 -14.457 11.081 1.00 0.00 C ATOM 918 OG SER A 63 -9.393 -13.650 11.109 1.00 0.00 O ATOM 0 H SER A 63 -8.037 -12.740 9.106 1.00 0.00 H new ATOM 0 HA SER A 63 -6.939 -15.424 9.659 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.417 -15.393 11.607 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.419 -13.952 11.609 1.00 0.00 H new ATOM 0 HG SER A 63 -9.648 -13.476 12.039 1.00 0.00 H new ATOM 924 N MET A 64 -9.770 -14.638 8.237 1.00 0.00 N ATOM 925 CA MET A 64 -10.897 -15.167 7.478 1.00 0.00 C ATOM 926 C MET A 64 -10.436 -15.719 6.133 1.00 0.00 C ATOM 927 O MET A 64 -11.126 -16.530 5.513 1.00 0.00 O ATOM 928 CB MET A 64 -11.949 -14.077 7.261 1.00 0.00 C ATOM 929 CG MET A 64 -13.370 -14.612 7.183 1.00 0.00 C ATOM 930 SD MET A 64 -13.708 -15.461 5.628 1.00 0.00 S ATOM 931 CE MET A 64 -13.286 -14.183 4.446 1.00 0.00 C ATOM 0 H MET A 64 -9.688 -13.622 8.217 1.00 0.00 H new ATOM 0 HA MET A 64 -11.340 -15.981 8.052 1.00 0.00 H new ATOM 0 HB2 MET A 64 -11.885 -13.355 8.075 1.00 0.00 H new ATOM 0 HB3 MET A 64 -11.720 -13.541 6.340 1.00 0.00 H new ATOM 0 HG2 MET A 64 -13.542 -15.298 8.012 1.00 0.00 H new ATOM 0 HG3 MET A 64 -14.072 -13.787 7.302 1.00 0.00 H new ATOM 0 HE1 MET A 64 -13.527 -14.525 3.439 1.00 0.00 H new ATOM 0 HE2 MET A 64 -13.854 -13.280 4.668 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.220 -13.966 4.510 1.00 0.00 H new ATOM 941 N THR A 65 -9.266 -15.276 5.686 1.00 0.00 N ATOM 942 CA THR A 65 -8.713 -15.725 4.414 1.00 0.00 C ATOM 943 C THR A 65 -7.252 -16.132 4.562 1.00 0.00 C ATOM 944 O THR A 65 -6.545 -15.640 5.442 1.00 0.00 O ATOM 945 CB THR A 65 -8.823 -14.629 3.336 1.00 0.00 C ATOM 946 OG1 THR A 65 -10.160 -14.121 3.288 1.00 0.00 O ATOM 947 CG2 THR A 65 -8.432 -15.174 1.970 1.00 0.00 C ATOM 0 H THR A 65 -8.682 -14.606 6.186 1.00 0.00 H new ATOM 0 HA THR A 65 -9.298 -16.591 4.103 1.00 0.00 H new ATOM 0 HB THR A 65 -8.138 -13.822 3.598 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.221 -13.424 2.602 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.517 -14.383 1.225 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.403 -15.533 2.002 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.095 -15.997 1.703 1.00 0.00 H new ATOM 955 N THR A 66 -6.803 -17.035 3.695 1.00 0.00 N ATOM 956 CA THR A 66 -5.426 -17.509 3.730 1.00 0.00 C ATOM 957 C THR A 66 -4.571 -16.792 2.691 1.00 0.00 C ATOM 958 O THR A 66 -5.071 -15.974 1.918 1.00 0.00 O ATOM 959 CB THR A 66 -5.347 -19.027 3.483 1.00 0.00 C ATOM 960 OG1 THR A 66 -4.020 -19.498 3.740 1.00 0.00 O ATOM 961 CG2 THR A 66 -5.742 -19.363 2.052 1.00 0.00 C ATOM 0 H THR A 66 -7.374 -17.452 2.960 1.00 0.00 H new ATOM 0 HA THR A 66 -5.043 -17.290 4.727 1.00 0.00 H new ATOM 0 HB THR A 66 -6.044 -19.520 4.161 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.980 -20.464 3.582 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.679 -20.441 1.901 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.764 -19.030 1.869 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.067 -18.859 1.360 1.00 0.00 H new ATOM 969 N PHE A 67 -3.279 -17.103 2.678 1.00 0.00 N ATOM 970 CA PHE A 67 -2.354 -16.487 1.734 1.00 0.00 C ATOM 971 C PHE A 67 -1.216 -17.442 1.386 1.00 0.00 C ATOM 972 O PHE A 67 -0.960 -18.409 2.104 1.00 0.00 O ATOM 973 CB PHE A 67 -1.787 -15.190 2.315 1.00 0.00 C ATOM 974 CG PHE A 67 -2.837 -14.161 2.621 1.00 0.00 C ATOM 975 CD1 PHE A 67 -3.530 -14.195 3.820 1.00 0.00 C ATOM 976 CD2 PHE A 67 -3.131 -13.160 1.709 1.00 0.00 C ATOM 977 CE1 PHE A 67 -4.497 -13.249 4.105 1.00 0.00 C ATOM 978 CE2 PHE A 67 -4.097 -12.211 1.989 1.00 0.00 C ATOM 979 CZ PHE A 67 -4.781 -12.256 3.188 1.00 0.00 C ATOM 0 H PHE A 67 -2.849 -17.778 3.310 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.904 -16.258 0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.238 -15.420 3.228 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.071 -14.768 1.610 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.312 -14.970 4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.600 -13.121 0.769 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -5.030 -13.286 5.044 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.316 -11.435 1.271 1.00 0.00 H new ATOM 0 HZ PHE A 67 -5.536 -11.516 3.408 1.00 0.00 H new ATOM 989 N THR A 68 -0.535 -17.164 0.278 1.00 0.00 N ATOM 990 CA THR A 68 0.574 -17.998 -0.167 1.00 0.00 C ATOM 991 C THR A 68 1.897 -17.247 -0.076 1.00 0.00 C ATOM 992 O THR A 68 1.919 -16.032 0.121 1.00 0.00 O ATOM 993 CB THR A 68 0.368 -18.479 -1.616 1.00 0.00 C ATOM 994 OG1 THR A 68 1.624 -18.865 -2.186 1.00 0.00 O ATOM 995 CG2 THR A 68 -0.266 -17.387 -2.464 1.00 0.00 C ATOM 0 H THR A 68 -0.733 -16.367 -0.327 1.00 0.00 H new ATOM 0 HA THR A 68 0.605 -18.864 0.495 1.00 0.00 H new ATOM 0 HB THR A 68 -0.303 -19.338 -1.599 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.485 -19.171 -3.107 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.402 -17.750 -3.483 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.234 -17.116 -2.044 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.383 -16.511 -2.474 1.00 0.00 H new ATOM 1003 N GLN A 69 2.998 -17.978 -0.221 1.00 0.00 N ATOM 1004 CA GLN A 69 4.326 -17.379 -0.154 1.00 0.00 C ATOM 1005 C GLN A 69 4.434 -16.188 -1.101 1.00 0.00 C ATOM 1006 O GLN A 69 4.669 -15.060 -0.668 1.00 0.00 O ATOM 1007 CB GLN A 69 5.395 -18.418 -0.499 1.00 0.00 C ATOM 1008 CG GLN A 69 6.812 -17.869 -0.457 1.00 0.00 C ATOM 1009 CD GLN A 69 7.438 -17.975 0.920 1.00 0.00 C ATOM 1010 OE1 GLN A 69 8.004 -19.008 1.279 1.00 0.00 O ATOM 1011 NE2 GLN A 69 7.339 -16.905 1.700 1.00 0.00 N ATOM 0 H GLN A 69 2.997 -18.985 -0.385 1.00 0.00 H new ATOM 0 HA GLN A 69 4.487 -17.026 0.865 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.317 -19.253 0.197 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.197 -18.814 -1.495 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.429 -18.410 -1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.802 -16.824 -0.768 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.861 -16.070 1.362 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.741 -16.918 2.637 1.00 0.00 H new ATOM 1020 N GLN A 70 4.261 -16.447 -2.393 1.00 0.00 N ATOM 1021 CA GLN A 70 4.340 -15.395 -3.399 1.00 0.00 C ATOM 1022 C GLN A 70 3.642 -14.127 -2.919 1.00 0.00 C ATOM 1023 O GLN A 70 4.045 -13.017 -3.265 1.00 0.00 O ATOM 1024 CB GLN A 70 3.715 -15.869 -4.713 1.00 0.00 C ATOM 1025 CG GLN A 70 2.229 -16.171 -4.604 1.00 0.00 C ATOM 1026 CD GLN A 70 1.533 -16.171 -5.952 1.00 0.00 C ATOM 1027 OE1 GLN A 70 1.820 -15.336 -6.811 1.00 0.00 O ATOM 1028 NE2 GLN A 70 0.614 -17.109 -6.144 1.00 0.00 N ATOM 0 H GLN A 70 4.065 -17.375 -2.767 1.00 0.00 H new ATOM 0 HA GLN A 70 5.393 -15.166 -3.566 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.867 -15.105 -5.475 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.236 -16.765 -5.051 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.093 -17.143 -4.129 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.758 -15.431 -3.956 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.408 -17.781 -5.404 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.113 -17.158 -7.031 1.00 0.00 H new ATOM 1037 N GLU A 71 2.594 -14.301 -2.119 1.00 0.00 N ATOM 1038 CA GLU A 71 1.841 -13.170 -1.592 1.00 0.00 C ATOM 1039 C GLU A 71 2.523 -12.589 -0.357 1.00 0.00 C ATOM 1040 O GLU A 71 2.814 -11.394 -0.301 1.00 0.00 O ATOM 1041 CB GLU A 71 0.413 -13.597 -1.246 1.00 0.00 C ATOM 1042 CG GLU A 71 -0.522 -13.623 -2.443 1.00 0.00 C ATOM 1043 CD GLU A 71 -1.912 -14.114 -2.088 1.00 0.00 C ATOM 1044 OE1 GLU A 71 -2.075 -14.690 -0.991 1.00 0.00 O ATOM 1045 OE2 GLU A 71 -2.837 -13.922 -2.905 1.00 0.00 O ATOM 0 H GLU A 71 2.248 -15.214 -1.822 1.00 0.00 H new ATOM 0 HA GLU A 71 1.806 -12.399 -2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.439 -14.589 -0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.011 -12.916 -0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.592 -12.621 -2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.100 -14.266 -3.215 1.00 0.00 H new ATOM 1052 N ILE A 72 2.775 -13.443 0.629 1.00 0.00 N ATOM 1053 CA ILE A 72 3.423 -13.015 1.863 1.00 0.00 C ATOM 1054 C ILE A 72 4.647 -12.154 1.570 1.00 0.00 C ATOM 1055 O ILE A 72 4.730 -11.008 2.010 1.00 0.00 O ATOM 1056 CB ILE A 72 3.850 -14.220 2.721 1.00 0.00 C ATOM 1057 CG1 ILE A 72 2.620 -14.974 3.230 1.00 0.00 C ATOM 1058 CG2 ILE A 72 4.716 -13.761 3.885 1.00 0.00 C ATOM 1059 CD1 ILE A 72 1.691 -14.120 4.064 1.00 0.00 C ATOM 0 H ILE A 72 2.540 -14.435 0.598 1.00 0.00 H new ATOM 0 HA ILE A 72 2.692 -12.426 2.417 1.00 0.00 H new ATOM 0 HB ILE A 72 4.437 -14.898 2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.069 -15.371 2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.947 -15.828 3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.010 -14.624 4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.607 -13.264 3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.152 -13.065 4.506 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.841 -14.719 4.391 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.227 -13.744 4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.335 -13.280 3.467 1.00 0.00 H new ATOM 1071 N GLU A 73 5.594 -12.714 0.824 1.00 0.00 N ATOM 1072 CA GLU A 73 6.813 -11.996 0.472 1.00 0.00 C ATOM 1073 C GLU A 73 6.486 -10.638 -0.142 1.00 0.00 C ATOM 1074 O GLU A 73 7.124 -9.633 0.172 1.00 0.00 O ATOM 1075 CB GLU A 73 7.653 -12.821 -0.505 1.00 0.00 C ATOM 1076 CG GLU A 73 8.538 -13.853 0.174 1.00 0.00 C ATOM 1077 CD GLU A 73 9.361 -14.657 -0.814 1.00 0.00 C ATOM 1078 OE1 GLU A 73 10.308 -14.087 -1.398 1.00 0.00 O ATOM 1079 OE2 GLU A 73 9.059 -15.853 -1.004 1.00 0.00 O ATOM 0 H GLU A 73 5.540 -13.662 0.452 1.00 0.00 H new ATOM 0 HA GLU A 73 7.386 -11.834 1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.988 -13.328 -1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.278 -12.148 -1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.206 -13.350 0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.916 -14.530 0.759 1.00 0.00 H new ATOM 1086 N PHE A 74 5.489 -10.617 -1.020 1.00 0.00 N ATOM 1087 CA PHE A 74 5.078 -9.383 -1.680 1.00 0.00 C ATOM 1088 C PHE A 74 4.634 -8.341 -0.658 1.00 0.00 C ATOM 1089 O PHE A 74 4.953 -7.158 -0.782 1.00 0.00 O ATOM 1090 CB PHE A 74 3.942 -9.662 -2.667 1.00 0.00 C ATOM 1091 CG PHE A 74 3.113 -8.450 -2.985 1.00 0.00 C ATOM 1092 CD1 PHE A 74 3.483 -7.589 -4.004 1.00 0.00 C ATOM 1093 CD2 PHE A 74 1.964 -8.173 -2.262 1.00 0.00 C ATOM 1094 CE1 PHE A 74 2.722 -6.473 -4.299 1.00 0.00 C ATOM 1095 CE2 PHE A 74 1.198 -7.059 -2.553 1.00 0.00 C ATOM 1096 CZ PHE A 74 1.579 -6.208 -3.572 1.00 0.00 C ATOM 0 H PHE A 74 4.951 -11.440 -1.291 1.00 0.00 H new ATOM 0 HA PHE A 74 5.936 -8.989 -2.225 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.363 -10.057 -3.591 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.295 -10.437 -2.255 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.377 -7.791 -4.575 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.663 -8.834 -1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.021 -5.810 -5.097 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.303 -6.855 -1.984 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.983 -5.336 -3.800 1.00 0.00 H new ATOM 1106 N LEU A 75 3.895 -8.789 0.352 1.00 0.00 N ATOM 1107 CA LEU A 75 3.406 -7.896 1.396 1.00 0.00 C ATOM 1108 C LEU A 75 4.525 -7.524 2.364 1.00 0.00 C ATOM 1109 O LEU A 75 4.558 -6.413 2.892 1.00 0.00 O ATOM 1110 CB LEU A 75 2.255 -8.554 2.159 1.00 0.00 C ATOM 1111 CG LEU A 75 0.884 -8.498 1.485 1.00 0.00 C ATOM 1112 CD1 LEU A 75 -0.020 -9.597 2.020 1.00 0.00 C ATOM 1113 CD2 LEU A 75 0.244 -7.132 1.691 1.00 0.00 C ATOM 0 H LEU A 75 3.622 -9.765 0.469 1.00 0.00 H new ATOM 0 HA LEU A 75 3.045 -6.984 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.511 -9.600 2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.176 -8.080 3.137 1.00 0.00 H new ATOM 0 HG LEU A 75 1.020 -8.657 0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.991 -9.541 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.432 -10.569 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.150 -9.470 3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.731 -7.110 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.122 -6.945 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.883 -6.362 1.258 1.00 0.00 H new ATOM 1125 N GLN A 76 5.441 -8.461 2.589 1.00 0.00 N ATOM 1126 CA GLN A 76 6.563 -8.230 3.491 1.00 0.00 C ATOM 1127 C GLN A 76 7.546 -7.229 2.893 1.00 0.00 C ATOM 1128 O GLN A 76 8.051 -6.347 3.588 1.00 0.00 O ATOM 1129 CB GLN A 76 7.279 -9.547 3.795 1.00 0.00 C ATOM 1130 CG GLN A 76 6.631 -10.349 4.912 1.00 0.00 C ATOM 1131 CD GLN A 76 7.502 -11.494 5.390 1.00 0.00 C ATOM 1132 OE1 GLN A 76 8.122 -12.194 4.589 1.00 0.00 O ATOM 1133 NE2 GLN A 76 7.555 -11.691 6.702 1.00 0.00 N ATOM 0 H GLN A 76 5.428 -9.386 2.159 1.00 0.00 H new ATOM 0 HA GLN A 76 6.171 -7.815 4.419 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.304 -10.154 2.890 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.313 -9.334 4.065 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.415 -9.687 5.751 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.677 -10.744 4.564 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.025 -11.087 7.330 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.126 -12.446 7.082 1.00 0.00 H new ATOM 1142 N LYS A 77 7.814 -7.371 1.599 1.00 0.00 N ATOM 1143 CA LYS A 77 8.736 -6.479 0.906 1.00 0.00 C ATOM 1144 C LYS A 77 8.146 -5.078 0.781 1.00 0.00 C ATOM 1145 O LYS A 77 8.859 -4.118 0.485 1.00 0.00 O ATOM 1146 CB LYS A 77 9.065 -7.032 -0.483 1.00 0.00 C ATOM 1147 CG LYS A 77 7.920 -6.908 -1.473 1.00 0.00 C ATOM 1148 CD LYS A 77 8.428 -6.771 -2.899 1.00 0.00 C ATOM 1149 CE LYS A 77 8.974 -8.090 -3.425 1.00 0.00 C ATOM 1150 NZ LYS A 77 9.351 -7.999 -4.863 1.00 0.00 N ATOM 0 H LYS A 77 7.405 -8.096 1.009 1.00 0.00 H new ATOM 0 HA LYS A 77 9.653 -6.417 1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.934 -6.506 -0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.342 -8.082 -0.391 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.276 -7.784 -1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.310 -6.041 -1.218 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.619 -6.428 -3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.209 -6.012 -2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.845 -8.382 -2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.225 -8.871 -3.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.719 -8.917 -5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.514 -7.745 -5.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.084 -7.271 -4.984 1.00 0.00 H new ATOM 1164 N HIS A 78 6.842 -4.967 1.009 1.00 0.00 N ATOM 1165 CA HIS A 78 6.157 -3.682 0.924 1.00 0.00 C ATOM 1166 C HIS A 78 5.810 -3.158 2.314 1.00 0.00 C ATOM 1167 O HIS A 78 6.458 -2.244 2.823 1.00 0.00 O ATOM 1168 CB HIS A 78 4.886 -3.812 0.083 1.00 0.00 C ATOM 1169 CG HIS A 78 5.127 -3.682 -1.389 1.00 0.00 C ATOM 1170 ND1 HIS A 78 5.279 -4.768 -2.225 1.00 0.00 N ATOM 1171 CD2 HIS A 78 5.239 -2.585 -2.175 1.00 0.00 C ATOM 1172 CE1 HIS A 78 5.476 -4.345 -3.461 1.00 0.00 C ATOM 1173 NE2 HIS A 78 5.456 -3.024 -3.458 1.00 0.00 N ATOM 0 H HIS A 78 6.238 -5.751 1.254 1.00 0.00 H new ATOM 0 HA HIS A 78 6.830 -2.971 0.445 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.425 -4.779 0.283 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.174 -3.048 0.395 1.00 0.00 H new ATOM 0 HD1 HIS A 78 5.245 -5.745 -1.935 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.170 -1.556 -1.853 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.628 -4.973 -4.327 1.00 0.00 H new ATOM 1181 N GLY A 79 4.783 -3.743 2.923 1.00 0.00 N ATOM 1182 CA GLY A 79 4.368 -3.321 4.248 1.00 0.00 C ATOM 1183 C GLY A 79 4.060 -1.838 4.314 1.00 0.00 C ATOM 1184 O GLY A 79 4.459 -1.075 3.436 1.00 0.00 O ATOM 0 H GLY A 79 4.231 -4.502 2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.485 -3.886 4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.155 -3.558 4.964 1.00 0.00 H new ATOM 1188 N ASN A 80 3.346 -1.430 5.358 1.00 0.00 N ATOM 1189 CA ASN A 80 2.982 -0.028 5.534 1.00 0.00 C ATOM 1190 C ASN A 80 4.219 0.826 5.794 1.00 0.00 C ATOM 1191 O ASN A 80 4.180 2.048 5.660 1.00 0.00 O ATOM 1192 CB ASN A 80 1.993 0.122 6.692 1.00 0.00 C ATOM 1193 CG ASN A 80 0.707 -0.647 6.456 1.00 0.00 C ATOM 1194 OD1 ASN A 80 0.571 -1.363 5.463 1.00 0.00 O ATOM 1195 ND2 ASN A 80 -0.245 -0.503 7.371 1.00 0.00 N ATOM 0 H ASN A 80 3.008 -2.049 6.095 1.00 0.00 H new ATOM 0 HA ASN A 80 2.510 0.317 4.614 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.459 -0.229 7.613 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.761 1.178 6.834 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.132 -0.996 7.266 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.089 0.101 8.178 1.00 0.00 H new ATOM 1202 N GLU A 81 5.316 0.173 6.167 1.00 0.00 N ATOM 1203 CA GLU A 81 6.564 0.873 6.445 1.00 0.00 C ATOM 1204 C GLU A 81 6.886 1.872 5.338 1.00 0.00 C ATOM 1205 O GLU A 81 6.870 3.084 5.555 1.00 0.00 O ATOM 1206 CB GLU A 81 7.713 -0.126 6.596 1.00 0.00 C ATOM 1207 CG GLU A 81 8.954 0.466 7.241 1.00 0.00 C ATOM 1208 CD GLU A 81 9.126 1.940 6.930 1.00 0.00 C ATOM 1209 OE1 GLU A 81 8.419 2.763 7.549 1.00 0.00 O ATOM 1210 OE2 GLU A 81 9.967 2.271 6.068 1.00 0.00 O ATOM 0 H GLU A 81 5.365 -0.839 6.283 1.00 0.00 H new ATOM 0 HA GLU A 81 6.443 1.420 7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.372 -0.972 7.193 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.976 -0.516 5.613 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.897 0.331 8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.833 -0.079 6.897 1.00 0.00 H new ATOM 1217 N VAL A 82 7.179 1.354 4.149 1.00 0.00 N ATOM 1218 CA VAL A 82 7.505 2.200 3.007 1.00 0.00 C ATOM 1219 C VAL A 82 6.245 2.629 2.263 1.00 0.00 C ATOM 1220 O VAL A 82 6.088 3.798 1.911 1.00 0.00 O ATOM 1221 CB VAL A 82 8.447 1.477 2.024 1.00 0.00 C ATOM 1222 CG1 VAL A 82 9.748 1.097 2.714 1.00 0.00 C ATOM 1223 CG2 VAL A 82 7.765 0.250 1.439 1.00 0.00 C ATOM 0 H VAL A 82 7.197 0.353 3.952 1.00 0.00 H new ATOM 0 HA VAL A 82 8.009 3.083 3.401 1.00 0.00 H new ATOM 0 HB VAL A 82 8.683 2.157 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.401 0.588 2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.242 1.997 3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.535 0.434 3.552 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.444 -0.249 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.498 -0.436 2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.863 0.554 0.907 1.00 0.00 H new ATOM 1233 N CYS A 83 5.350 1.676 2.029 1.00 0.00 N ATOM 1234 CA CYS A 83 4.102 1.955 1.327 1.00 0.00 C ATOM 1235 C CYS A 83 3.540 3.312 1.736 1.00 0.00 C ATOM 1236 O CYS A 83 3.493 4.245 0.933 1.00 0.00 O ATOM 1237 CB CYS A 83 3.076 0.857 1.612 1.00 0.00 C ATOM 1238 SG CYS A 83 3.233 -0.595 0.546 1.00 0.00 S ATOM 0 H CYS A 83 5.465 0.704 2.315 1.00 0.00 H new ATOM 0 HA CYS A 83 4.312 1.977 0.258 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.174 0.544 2.651 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.075 1.272 1.498 1.00 0.00 H new ATOM 0 HG CYS A 83 2.119 -0.784 -0.096 1.00 0.00 H new ATOM 1244 N LYS A 84 3.113 3.416 2.989 1.00 0.00 N ATOM 1245 CA LYS A 84 2.552 4.659 3.507 1.00 0.00 C ATOM 1246 C LYS A 84 3.377 5.859 3.051 1.00 0.00 C ATOM 1247 O LYS A 84 2.893 6.706 2.300 1.00 0.00 O ATOM 1248 CB LYS A 84 2.494 4.619 5.035 1.00 0.00 C ATOM 1249 CG LYS A 84 1.595 5.685 5.638 1.00 0.00 C ATOM 1250 CD LYS A 84 0.988 5.225 6.953 1.00 0.00 C ATOM 1251 CE LYS A 84 2.058 4.758 7.928 1.00 0.00 C ATOM 1252 NZ LYS A 84 1.548 4.702 9.326 1.00 0.00 N ATOM 0 H LYS A 84 3.144 2.654 3.666 1.00 0.00 H new ATOM 0 HA LYS A 84 1.541 4.764 3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.142 3.637 5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.502 4.739 5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.169 6.597 5.801 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.799 5.931 4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.420 6.042 7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.285 4.413 6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.414 3.771 7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.913 5.433 7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.307 4.379 9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.232 5.649 9.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.749 4.039 9.378 1.00 0.00 H new ATOM 1266 N GLN A 85 4.623 5.923 3.508 1.00 0.00 N ATOM 1267 CA GLN A 85 5.514 7.019 3.145 1.00 0.00 C ATOM 1268 C GLN A 85 5.435 7.313 1.651 1.00 0.00 C ATOM 1269 O GLN A 85 5.349 8.470 1.240 1.00 0.00 O ATOM 1270 CB GLN A 85 6.954 6.684 3.535 1.00 0.00 C ATOM 1271 CG GLN A 85 7.265 6.950 4.999 1.00 0.00 C ATOM 1272 CD GLN A 85 8.590 6.353 5.433 1.00 0.00 C ATOM 1273 OE1 GLN A 85 9.631 7.007 5.363 1.00 0.00 O ATOM 1274 NE2 GLN A 85 8.557 5.104 5.883 1.00 0.00 N ATOM 0 H GLN A 85 5.039 5.230 4.130 1.00 0.00 H new ATOM 0 HA GLN A 85 5.195 7.908 3.689 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.146 5.634 3.316 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.635 7.268 2.916 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.281 8.026 5.173 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.466 6.539 5.617 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.671 4.600 5.924 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.417 4.649 6.188 1.00 0.00 H new ATOM 1283 N ILE A 86 5.465 6.258 0.843 1.00 0.00 N ATOM 1284 CA ILE A 86 5.396 6.404 -0.606 1.00 0.00 C ATOM 1285 C ILE A 86 4.105 7.097 -1.028 1.00 0.00 C ATOM 1286 O ILE A 86 4.063 7.788 -2.046 1.00 0.00 O ATOM 1287 CB ILE A 86 5.487 5.040 -1.314 1.00 0.00 C ATOM 1288 CG1 ILE A 86 6.924 4.514 -1.271 1.00 0.00 C ATOM 1289 CG2 ILE A 86 5.003 5.155 -2.752 1.00 0.00 C ATOM 1290 CD1 ILE A 86 7.017 3.005 -1.336 1.00 0.00 C ATOM 0 H ILE A 86 5.537 5.294 1.167 1.00 0.00 H new ATOM 0 HA ILE A 86 6.248 7.016 -0.902 1.00 0.00 H new ATOM 0 HB ILE A 86 4.844 4.332 -0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.484 4.941 -2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.402 4.860 -0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.074 4.182 -3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.966 5.491 -2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.622 5.875 -3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.064 2.703 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.486 2.571 -0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.569 2.653 -2.265 1.00 0.00 H new ATOM 1302 N TRP A 87 3.054 6.909 -0.238 1.00 0.00 N ATOM 1303 CA TRP A 87 1.761 7.519 -0.528 1.00 0.00 C ATOM 1304 C TRP A 87 1.627 8.869 0.166 1.00 0.00 C ATOM 1305 O TRP A 87 0.742 9.661 -0.160 1.00 0.00 O ATOM 1306 CB TRP A 87 0.627 6.591 -0.090 1.00 0.00 C ATOM 1307 CG TRP A 87 0.543 5.332 -0.898 1.00 0.00 C ATOM 1308 CD1 TRP A 87 0.946 4.084 -0.516 1.00 0.00 C ATOM 1309 CD2 TRP A 87 0.025 5.199 -2.226 1.00 0.00 C ATOM 1310 NE1 TRP A 87 0.710 3.184 -1.527 1.00 0.00 N ATOM 1311 CE2 TRP A 87 0.145 3.843 -2.587 1.00 0.00 C ATOM 1312 CE3 TRP A 87 -0.530 6.093 -3.145 1.00 0.00 C ATOM 1313 CZ2 TRP A 87 -0.269 3.363 -3.827 1.00 0.00 C ATOM 1314 CZ3 TRP A 87 -0.940 5.616 -4.376 1.00 0.00 C ATOM 1315 CH2 TRP A 87 -0.809 4.261 -4.707 1.00 0.00 C ATOM 0 H TRP A 87 3.072 6.339 0.608 1.00 0.00 H new ATOM 0 HA TRP A 87 1.696 7.678 -1.604 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.765 6.332 0.960 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.320 7.126 -0.165 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.385 3.841 0.440 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.921 2.187 -1.494 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -0.637 7.139 -2.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.167 2.319 -4.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.368 6.299 -5.094 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.141 3.918 -5.676 1.00 0.00 H new ATOM 1326 N LEU A 88 2.509 9.127 1.125 1.00 0.00 N ATOM 1327 CA LEU A 88 2.489 10.383 1.866 1.00 0.00 C ATOM 1328 C LEU A 88 3.697 11.244 1.511 1.00 0.00 C ATOM 1329 O LEU A 88 4.118 12.095 2.293 1.00 0.00 O ATOM 1330 CB LEU A 88 2.469 10.110 3.371 1.00 0.00 C ATOM 1331 CG LEU A 88 1.605 8.933 3.828 1.00 0.00 C ATOM 1332 CD1 LEU A 88 1.051 9.188 5.221 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.476 8.685 2.839 1.00 0.00 C ATOM 0 H LEU A 88 3.247 8.483 1.408 1.00 0.00 H new ATOM 0 HA LEU A 88 1.585 10.925 1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.493 9.934 3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.121 11.009 3.879 1.00 0.00 H new ATOM 0 HG LEU A 88 2.230 8.041 3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.439 8.341 5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.875 9.315 5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.441 10.091 5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.128 7.844 3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.148 9.576 2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.895 8.457 1.859 1.00 0.00 H new ATOM 1345 N GLY A 89 4.250 11.018 0.323 1.00 0.00 N ATOM 1346 CA GLY A 89 5.402 11.782 -0.117 1.00 0.00 C ATOM 1347 C GLY A 89 5.214 13.275 0.069 1.00 0.00 C ATOM 1348 O GLY A 89 6.058 13.945 0.665 1.00 0.00 O ATOM 0 H GLY A 89 3.920 10.319 -0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.282 11.458 0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.593 11.571 -1.169 1.00 0.00 H new ATOM 1352 N LEU A 90 4.104 13.798 -0.441 1.00 0.00 N ATOM 1353 CA LEU A 90 3.808 15.221 -0.330 1.00 0.00 C ATOM 1354 C LEU A 90 3.136 15.535 1.004 1.00 0.00 C ATOM 1355 O LEU A 90 3.397 16.572 1.613 1.00 0.00 O ATOM 1356 CB LEU A 90 2.908 15.667 -1.484 1.00 0.00 C ATOM 1357 CG LEU A 90 3.617 15.995 -2.799 1.00 0.00 C ATOM 1358 CD1 LEU A 90 2.603 16.224 -3.909 1.00 0.00 C ATOM 1359 CD2 LEU A 90 4.512 17.215 -2.632 1.00 0.00 C ATOM 0 H LEU A 90 3.394 13.257 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 90 4.750 15.767 -0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.178 14.880 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.351 16.548 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 90 4.242 15.145 -3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.126 16.456 -4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.003 15.324 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.952 17.056 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.009 17.434 -3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.908 18.071 -2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.261 17.014 -1.866 1.00 0.00 H new ATOM 1371 N PHE A 91 2.272 14.631 1.452 1.00 0.00 N ATOM 1372 CA PHE A 91 1.564 14.810 2.714 1.00 0.00 C ATOM 1373 C PHE A 91 2.482 15.416 3.771 1.00 0.00 C ATOM 1374 O PHE A 91 3.618 14.976 3.949 1.00 0.00 O ATOM 1375 CB PHE A 91 1.012 13.471 3.208 1.00 0.00 C ATOM 1376 CG PHE A 91 -0.214 13.608 4.065 1.00 0.00 C ATOM 1377 CD1 PHE A 91 -0.118 14.080 5.364 1.00 0.00 C ATOM 1378 CD2 PHE A 91 -1.463 13.265 3.572 1.00 0.00 C ATOM 1379 CE1 PHE A 91 -1.244 14.206 6.156 1.00 0.00 C ATOM 1380 CE2 PHE A 91 -2.592 13.389 4.358 1.00 0.00 C ATOM 1381 CZ PHE A 91 -2.483 13.861 5.652 1.00 0.00 C ATOM 0 H PHE A 91 2.045 13.767 0.960 1.00 0.00 H new ATOM 0 HA PHE A 91 0.734 15.496 2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.776 12.845 2.348 1.00 0.00 H new ATOM 0 HB3 PHE A 91 1.786 12.955 3.775 1.00 0.00 H new ATOM 0 HD1 PHE A 91 0.848 14.353 5.763 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -1.555 12.896 2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.155 14.574 7.168 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.559 13.117 3.961 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.365 13.960 6.268 1.00 0.00 H new ATOM 1391 N ASP A 92 1.981 16.428 4.471 1.00 0.00 N ATOM 1392 CA ASP A 92 2.755 17.095 5.511 1.00 0.00 C ATOM 1393 C ASP A 92 1.845 17.592 6.631 1.00 0.00 C ATOM 1394 O ASP A 92 0.946 18.402 6.400 1.00 0.00 O ATOM 1395 CB ASP A 92 3.542 18.265 4.920 1.00 0.00 C ATOM 1396 CG ASP A 92 4.918 17.851 4.435 1.00 0.00 C ATOM 1397 OD1 ASP A 92 5.463 16.864 4.971 1.00 0.00 O ATOM 1398 OD2 ASP A 92 5.450 18.515 3.520 1.00 0.00 O ATOM 0 H ASP A 92 1.042 16.804 4.337 1.00 0.00 H new ATOM 0 HA ASP A 92 3.455 16.371 5.929 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.981 18.694 4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.645 19.047 5.673 1.00 0.00 H new ATOM 1403 N ASP A 93 2.084 17.102 7.842 1.00 0.00 N ATOM 1404 CA ASP A 93 1.286 17.496 8.997 1.00 0.00 C ATOM 1405 C ASP A 93 0.869 18.960 8.896 1.00 0.00 C ATOM 1406 O ASP A 93 -0.243 19.326 9.277 1.00 0.00 O ATOM 1407 CB ASP A 93 2.072 17.265 10.289 1.00 0.00 C ATOM 1408 CG ASP A 93 3.218 18.244 10.453 1.00 0.00 C ATOM 1409 OD1 ASP A 93 4.195 18.149 9.681 1.00 0.00 O ATOM 1410 OD2 ASP A 93 3.136 19.107 11.352 1.00 0.00 O ATOM 0 H ASP A 93 2.824 16.431 8.050 1.00 0.00 H new ATOM 0 HA ASP A 93 0.386 16.881 9.013 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.398 17.353 11.141 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.463 16.248 10.296 1.00 0.00 H new ATOM 1415 N ARG A 94 1.769 19.792 8.381 1.00 0.00 N ATOM 1416 CA ARG A 94 1.495 21.216 8.232 1.00 0.00 C ATOM 1417 C ARG A 94 0.663 21.482 6.981 1.00 0.00 C ATOM 1418 O ARG A 94 -0.336 22.199 7.028 1.00 0.00 O ATOM 1419 CB ARG A 94 2.804 22.004 8.164 1.00 0.00 C ATOM 1420 CG ARG A 94 3.563 22.040 9.481 1.00 0.00 C ATOM 1421 CD ARG A 94 4.377 23.316 9.620 1.00 0.00 C ATOM 1422 NE ARG A 94 3.528 24.493 9.783 1.00 0.00 N ATOM 1423 CZ ARG A 94 3.950 25.637 10.308 1.00 0.00 C ATOM 1424 NH1 ARG A 94 5.205 25.759 10.719 1.00 0.00 N ATOM 1425 NH2 ARG A 94 3.117 26.664 10.422 1.00 0.00 N ATOM 0 H ARG A 94 2.694 19.504 8.060 1.00 0.00 H new ATOM 0 HA ARG A 94 0.926 21.544 9.102 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.443 21.565 7.398 1.00 0.00 H new ATOM 0 HB3 ARG A 94 2.587 23.025 7.851 1.00 0.00 H new ATOM 0 HG2 ARG A 94 2.859 21.964 10.310 1.00 0.00 H new ATOM 0 HG3 ARG A 94 4.225 21.176 9.545 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.044 23.229 10.478 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.006 23.442 8.739 1.00 0.00 H new ATOM 0 HE ARG A 94 2.557 24.433 9.477 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.849 24.973 10.632 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.526 26.639 11.122 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.151 26.575 10.106 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.443 27.542 10.826 1.00 0.00 H new ATOM 1439 N SER A 95 1.083 20.899 5.862 1.00 0.00 N ATOM 1440 CA SER A 95 0.380 21.076 4.597 1.00 0.00 C ATOM 1441 C SER A 95 -1.092 20.701 4.737 1.00 0.00 C ATOM 1442 O SER A 95 -1.974 21.409 4.250 1.00 0.00 O ATOM 1443 CB SER A 95 1.032 20.227 3.504 1.00 0.00 C ATOM 1444 OG SER A 95 0.756 18.850 3.694 1.00 0.00 O ATOM 0 H SER A 95 1.907 20.300 5.806 1.00 0.00 H new ATOM 0 HA SER A 95 0.445 22.128 4.318 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.666 20.543 2.527 1.00 0.00 H new ATOM 0 HB3 SER A 95 2.110 20.389 3.508 1.00 0.00 H new ATOM 0 HG SER A 95 0.843 18.627 4.644 1.00 0.00 H new ATOM 1450 N SER A 96 -1.351 19.581 5.406 1.00 0.00 N ATOM 1451 CA SER A 96 -2.715 19.109 5.607 1.00 0.00 C ATOM 1452 C SER A 96 -2.839 18.351 6.925 1.00 0.00 C ATOM 1453 O SER A 96 -1.845 18.103 7.607 1.00 0.00 O ATOM 1454 CB SER A 96 -3.142 18.209 4.446 1.00 0.00 C ATOM 1455 OG SER A 96 -3.722 18.968 3.399 1.00 0.00 O ATOM 0 H SER A 96 -0.633 18.984 5.818 1.00 0.00 H new ATOM 0 HA SER A 96 -3.372 19.978 5.645 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.278 17.663 4.068 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.857 17.467 4.801 1.00 0.00 H new ATOM 0 HG SER A 96 -3.332 19.867 3.392 1.00 0.00 H new ATOM 1461 N ALA A 97 -4.067 17.985 7.277 1.00 0.00 N ATOM 1462 CA ALA A 97 -4.322 17.253 8.512 1.00 0.00 C ATOM 1463 C ALA A 97 -4.987 15.911 8.228 1.00 0.00 C ATOM 1464 O ALA A 97 -5.306 15.597 7.081 1.00 0.00 O ATOM 1465 CB ALA A 97 -5.185 18.084 9.449 1.00 0.00 C ATOM 0 H ALA A 97 -4.901 18.183 6.724 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.364 17.059 8.994 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.368 17.525 10.367 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.671 19.015 9.687 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.136 18.308 8.965 1.00 0.00 H new ATOM 1471 N ILE A 98 -5.191 15.123 9.278 1.00 0.00 N ATOM 1472 CA ILE A 98 -5.818 13.814 9.140 1.00 0.00 C ATOM 1473 C ILE A 98 -7.275 13.853 9.588 1.00 0.00 C ATOM 1474 O ILE A 98 -7.621 14.448 10.609 1.00 0.00 O ATOM 1475 CB ILE A 98 -5.070 12.742 9.954 1.00 0.00 C ATOM 1476 CG1 ILE A 98 -3.591 12.714 9.565 1.00 0.00 C ATOM 1477 CG2 ILE A 98 -5.706 11.377 9.742 1.00 0.00 C ATOM 1478 CD1 ILE A 98 -3.333 12.070 8.220 1.00 0.00 C ATOM 0 H ILE A 98 -4.931 15.368 10.234 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.772 13.552 8.083 1.00 0.00 H new ATOM 0 HB ILE A 98 -5.142 12.994 11.012 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.208 13.734 9.550 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.032 12.175 10.330 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.166 10.630 10.324 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.747 11.406 10.065 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.662 11.115 8.685 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -2.264 12.085 8.009 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -3.685 11.039 8.237 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.864 12.622 7.444 1.00 0.00 H new ATOM 1490 N PRO A 99 -8.152 13.202 8.809 1.00 0.00 N ATOM 1491 CA PRO A 99 -9.586 13.145 9.107 1.00 0.00 C ATOM 1492 C PRO A 99 -9.890 12.289 10.332 1.00 0.00 C ATOM 1493 O PRO A 99 -8.988 11.931 11.090 1.00 0.00 O ATOM 1494 CB PRO A 99 -10.185 12.511 7.849 1.00 0.00 C ATOM 1495 CG PRO A 99 -9.071 11.717 7.259 1.00 0.00 C ATOM 1496 CD PRO A 99 -7.810 12.471 7.577 1.00 0.00 C ATOM 0 HA PRO A 99 -9.993 14.129 9.340 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -11.038 11.877 8.093 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.541 13.271 7.154 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.042 10.712 7.681 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.198 11.607 6.182 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.967 11.798 7.730 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.533 13.150 6.770 1.00 0.00 H new ATOM 1504 N ASP A 100 -11.164 11.965 10.519 1.00 0.00 N ATOM 1505 CA ASP A 100 -11.587 11.149 11.652 1.00 0.00 C ATOM 1506 C ASP A 100 -11.682 9.679 11.257 1.00 0.00 C ATOM 1507 O ASP A 100 -11.808 9.348 10.078 1.00 0.00 O ATOM 1508 CB ASP A 100 -12.936 11.635 12.183 1.00 0.00 C ATOM 1509 CG ASP A 100 -14.000 11.684 11.103 1.00 0.00 C ATOM 1510 OD1 ASP A 100 -14.248 10.638 10.467 1.00 0.00 O ATOM 1511 OD2 ASP A 100 -14.584 12.768 10.895 1.00 0.00 O ATOM 0 H ASP A 100 -11.922 12.254 9.901 1.00 0.00 H new ATOM 0 HA ASP A 100 -10.839 11.248 12.439 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.267 10.975 12.985 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -12.816 12.628 12.616 1.00 0.00 H new ATOM 1516 N PHE A 101 -11.619 8.799 12.251 1.00 0.00 N ATOM 1517 CA PHE A 101 -11.695 7.363 12.008 1.00 0.00 C ATOM 1518 C PHE A 101 -12.989 6.784 12.573 1.00 0.00 C ATOM 1519 O PHE A 101 -12.986 5.722 13.196 1.00 0.00 O ATOM 1520 CB PHE A 101 -10.491 6.654 12.630 1.00 0.00 C ATOM 1521 CG PHE A 101 -9.191 7.372 12.406 1.00 0.00 C ATOM 1522 CD1 PHE A 101 -8.906 7.951 11.181 1.00 0.00 C ATOM 1523 CD2 PHE A 101 -8.253 7.467 13.422 1.00 0.00 C ATOM 1524 CE1 PHE A 101 -7.711 8.613 10.971 1.00 0.00 C ATOM 1525 CE2 PHE A 101 -7.056 8.128 13.219 1.00 0.00 C ATOM 1526 CZ PHE A 101 -6.784 8.700 11.992 1.00 0.00 C ATOM 0 H PHE A 101 -11.515 9.055 13.233 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.685 7.201 10.930 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.657 6.546 13.702 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.418 5.649 12.216 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.627 7.885 10.379 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.460 7.020 14.383 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.502 9.061 10.011 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.334 8.197 14.019 1.00 0.00 H new ATOM 0 HZ PHE A 101 -5.848 9.215 11.831 1.00 0.00 H new ATOM 1536 N ARG A 102 -14.093 7.490 12.351 1.00 0.00 N ATOM 1537 CA ARG A 102 -15.394 7.048 12.839 1.00 0.00 C ATOM 1538 C ARG A 102 -16.419 7.023 11.709 1.00 0.00 C ATOM 1539 O ARG A 102 -17.270 6.136 11.650 1.00 0.00 O ATOM 1540 CB ARG A 102 -15.880 7.966 13.962 1.00 0.00 C ATOM 1541 CG ARG A 102 -14.893 8.098 15.111 1.00 0.00 C ATOM 1542 CD ARG A 102 -15.297 9.209 16.067 1.00 0.00 C ATOM 1543 NE ARG A 102 -14.743 10.501 15.671 1.00 0.00 N ATOM 1544 CZ ARG A 102 -13.458 10.816 15.785 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -12.598 9.937 16.281 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -13.030 12.012 15.403 1.00 0.00 N ATOM 0 H ARG A 102 -14.112 8.370 11.836 1.00 0.00 H new ATOM 0 HA ARG A 102 -15.283 6.036 13.228 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -16.080 8.955 13.550 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -16.825 7.585 14.348 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -14.835 7.154 15.652 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -13.898 8.301 14.716 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -16.384 9.277 16.105 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -14.958 8.962 17.073 1.00 0.00 H new ATOM 0 HE ARG A 102 -15.378 11.200 15.286 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.923 9.016 16.576 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -11.612 10.182 16.367 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -13.688 12.691 15.021 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.043 12.252 15.491 1.00 0.00 H new ATOM 1560 N ASP A 103 -16.330 8.001 10.815 1.00 0.00 N ATOM 1561 CA ASP A 103 -17.249 8.091 9.686 1.00 0.00 C ATOM 1562 C ASP A 103 -16.583 7.603 8.404 1.00 0.00 C ATOM 1563 O ASP A 103 -15.440 7.945 8.099 1.00 0.00 O ATOM 1564 CB ASP A 103 -17.733 9.532 9.509 1.00 0.00 C ATOM 1565 CG ASP A 103 -18.938 9.848 10.372 1.00 0.00 C ATOM 1566 OD1 ASP A 103 -19.954 9.130 10.260 1.00 0.00 O ATOM 1567 OD2 ASP A 103 -18.865 10.814 11.160 1.00 0.00 O ATOM 0 H ASP A 103 -15.631 8.743 10.850 1.00 0.00 H new ATOM 0 HA ASP A 103 -18.107 7.451 9.894 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -16.923 10.217 9.757 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -17.985 9.702 8.462 1.00 0.00 H new ATOM 1572 N PRO A 104 -17.313 6.783 7.633 1.00 0.00 N ATOM 1573 CA PRO A 104 -16.814 6.230 6.371 1.00 0.00 C ATOM 1574 C PRO A 104 -16.680 7.292 5.285 1.00 0.00 C ATOM 1575 O PRO A 104 -15.741 7.264 4.490 1.00 0.00 O ATOM 1576 CB PRO A 104 -17.882 5.203 5.986 1.00 0.00 C ATOM 1577 CG PRO A 104 -19.125 5.682 6.653 1.00 0.00 C ATOM 1578 CD PRO A 104 -18.683 6.334 7.934 1.00 0.00 C ATOM 0 HA PRO A 104 -15.815 5.807 6.479 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -18.008 5.149 4.905 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -17.611 4.203 6.325 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -19.660 6.389 6.019 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -19.805 4.854 6.851 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -19.329 7.169 8.204 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -18.702 5.634 8.769 1.00 0.00 H new ATOM 1586 N GLN A 105 -17.625 8.226 5.257 1.00 0.00 N ATOM 1587 CA GLN A 105 -17.612 9.297 4.268 1.00 0.00 C ATOM 1588 C GLN A 105 -16.312 10.091 4.342 1.00 0.00 C ATOM 1589 O GLN A 105 -15.734 10.454 3.317 1.00 0.00 O ATOM 1590 CB GLN A 105 -18.805 10.230 4.479 1.00 0.00 C ATOM 1591 CG GLN A 105 -19.203 11.001 3.231 1.00 0.00 C ATOM 1592 CD GLN A 105 -20.217 12.091 3.517 1.00 0.00 C ATOM 1593 OE1 GLN A 105 -20.796 12.148 4.602 1.00 0.00 O ATOM 1594 NE2 GLN A 105 -20.437 12.966 2.542 1.00 0.00 N ATOM 0 H GLN A 105 -18.409 8.263 5.908 1.00 0.00 H new ATOM 0 HA GLN A 105 -17.684 8.844 3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -19.658 9.644 4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -18.566 10.938 5.272 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -18.314 11.446 2.784 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -19.616 10.309 2.497 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -19.935 12.882 1.658 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -21.108 13.722 2.677 1.00 0.00 H new ATOM 1603 N LYS A 106 -15.856 10.357 5.561 1.00 0.00 N ATOM 1604 CA LYS A 106 -14.623 11.107 5.771 1.00 0.00 C ATOM 1605 C LYS A 106 -13.411 10.300 5.316 1.00 0.00 C ATOM 1606 O LYS A 106 -12.582 10.786 4.546 1.00 0.00 O ATOM 1607 CB LYS A 106 -14.474 11.482 7.247 1.00 0.00 C ATOM 1608 CG LYS A 106 -15.360 12.640 7.673 1.00 0.00 C ATOM 1609 CD LYS A 106 -14.623 13.966 7.591 1.00 0.00 C ATOM 1610 CE LYS A 106 -14.325 14.349 6.149 1.00 0.00 C ATOM 1611 NZ LYS A 106 -12.995 13.847 5.705 1.00 0.00 N ATOM 0 H LYS A 106 -16.322 10.064 6.420 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.676 12.018 5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.708 10.612 7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.434 11.740 7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -16.245 12.675 7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.706 12.478 8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -15.223 14.746 8.060 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.690 13.901 8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.101 13.946 5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -14.356 15.434 6.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.617 14.473 4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.342 13.833 6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.096 12.884 5.325 1.00 0.00 H new ATOM 1625 N VAL A 107 -13.315 9.064 5.796 1.00 0.00 N ATOM 1626 CA VAL A 107 -12.205 8.189 5.436 1.00 0.00 C ATOM 1627 C VAL A 107 -12.202 7.892 3.941 1.00 0.00 C ATOM 1628 O VAL A 107 -11.145 7.712 3.335 1.00 0.00 O ATOM 1629 CB VAL A 107 -12.265 6.859 6.212 1.00 0.00 C ATOM 1630 CG1 VAL A 107 -11.106 5.957 5.816 1.00 0.00 C ATOM 1631 CG2 VAL A 107 -12.264 7.117 7.711 1.00 0.00 C ATOM 0 H VAL A 107 -13.992 8.646 6.435 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.288 8.715 5.701 1.00 0.00 H new ATOM 0 HB VAL A 107 -13.194 6.350 5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -11.165 5.023 6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -11.158 5.746 4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.163 6.456 6.042 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.307 6.167 8.244 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.353 7.648 7.988 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -13.131 7.721 7.977 1.00 0.00 H new ATOM 1641 N LYS A 108 -13.391 7.844 3.350 1.00 0.00 N ATOM 1642 CA LYS A 108 -13.527 7.571 1.924 1.00 0.00 C ATOM 1643 C LYS A 108 -13.058 8.763 1.095 1.00 0.00 C ATOM 1644 O LYS A 108 -12.136 8.645 0.290 1.00 0.00 O ATOM 1645 CB LYS A 108 -14.982 7.240 1.584 1.00 0.00 C ATOM 1646 CG LYS A 108 -15.279 7.264 0.094 1.00 0.00 C ATOM 1647 CD LYS A 108 -16.634 6.651 -0.214 1.00 0.00 C ATOM 1648 CE LYS A 108 -17.052 6.918 -1.652 1.00 0.00 C ATOM 1649 NZ LYS A 108 -16.566 5.857 -2.577 1.00 0.00 N ATOM 0 H LYS A 108 -14.275 7.991 3.837 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.900 6.713 1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.223 6.253 1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.635 7.952 2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.253 8.292 -0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.502 6.719 -0.442 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.597 5.576 -0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.382 7.059 0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -18.139 6.979 -1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.661 7.884 -1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -16.871 6.075 -3.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -15.527 5.815 -2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -16.959 4.938 -2.289 1.00 0.00 H new ATOM 1663 N GLU A 109 -13.700 9.909 1.300 1.00 0.00 N ATOM 1664 CA GLU A 109 -13.347 11.122 0.571 1.00 0.00 C ATOM 1665 C GLU A 109 -11.840 11.360 0.609 1.00 0.00 C ATOM 1666 O GLU A 109 -11.258 11.878 -0.345 1.00 0.00 O ATOM 1667 CB GLU A 109 -14.080 12.329 1.159 1.00 0.00 C ATOM 1668 CG GLU A 109 -13.676 12.649 2.589 1.00 0.00 C ATOM 1669 CD GLU A 109 -14.206 13.990 3.058 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -15.421 14.087 3.329 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -13.404 14.943 3.155 1.00 0.00 O ATOM 0 H GLU A 109 -14.466 10.023 1.964 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.651 10.992 -0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.889 13.200 0.533 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.153 12.143 1.127 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -14.044 11.865 3.251 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -12.589 12.645 2.665 1.00 0.00 H new ATOM 1678 N PHE A 110 -11.214 10.980 1.718 1.00 0.00 N ATOM 1679 CA PHE A 110 -9.776 11.153 1.882 1.00 0.00 C ATOM 1680 C PHE A 110 -9.008 10.073 1.125 1.00 0.00 C ATOM 1681 O PHE A 110 -8.100 10.369 0.348 1.00 0.00 O ATOM 1682 CB PHE A 110 -9.402 11.116 3.365 1.00 0.00 C ATOM 1683 CG PHE A 110 -7.921 11.084 3.609 1.00 0.00 C ATOM 1684 CD1 PHE A 110 -7.180 9.952 3.309 1.00 0.00 C ATOM 1685 CD2 PHE A 110 -7.269 12.185 4.140 1.00 0.00 C ATOM 1686 CE1 PHE A 110 -5.816 9.919 3.532 1.00 0.00 C ATOM 1687 CE2 PHE A 110 -5.905 12.158 4.365 1.00 0.00 C ATOM 1688 CZ PHE A 110 -5.178 11.024 4.062 1.00 0.00 C ATOM 0 H PHE A 110 -11.681 10.550 2.517 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.503 12.124 1.470 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.825 11.990 3.860 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -9.857 10.238 3.824 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.674 9.085 2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.832 13.074 4.381 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.250 9.031 3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.408 13.024 4.778 1.00 0.00 H new ATOM 0 HZ PHE A 110 -4.113 11.001 4.239 1.00 0.00 H new ATOM 1698 N LEU A 111 -9.379 8.818 1.359 1.00 0.00 N ATOM 1699 CA LEU A 111 -8.726 7.692 0.701 1.00 0.00 C ATOM 1700 C LEU A 111 -8.697 7.888 -0.812 1.00 0.00 C ATOM 1701 O LEU A 111 -7.739 7.498 -1.479 1.00 0.00 O ATOM 1702 CB LEU A 111 -9.446 6.388 1.044 1.00 0.00 C ATOM 1703 CG LEU A 111 -8.958 5.661 2.298 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -9.846 4.465 2.602 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -7.510 5.223 2.130 1.00 0.00 C ATOM 0 H LEU A 111 -10.128 8.555 1.999 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.699 7.638 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.508 6.603 1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.352 5.710 0.196 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.014 6.351 3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.483 3.961 3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -10.869 4.804 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.824 3.772 1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.179 4.707 3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.430 4.549 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.882 6.098 1.961 1.00 0.00 H new ATOM 1717 N GLN A 112 -9.752 8.495 -1.345 1.00 0.00 N ATOM 1718 CA GLN A 112 -9.846 8.743 -2.779 1.00 0.00 C ATOM 1719 C GLN A 112 -8.730 9.672 -3.245 1.00 0.00 C ATOM 1720 O GLN A 112 -8.009 9.364 -4.192 1.00 0.00 O ATOM 1721 CB GLN A 112 -11.208 9.348 -3.125 1.00 0.00 C ATOM 1722 CG GLN A 112 -12.364 8.373 -2.971 1.00 0.00 C ATOM 1723 CD GLN A 112 -13.709 9.013 -3.253 1.00 0.00 C ATOM 1724 OE1 GLN A 112 -13.899 10.209 -3.029 1.00 0.00 O ATOM 1725 NE2 GLN A 112 -14.651 8.218 -3.747 1.00 0.00 N ATOM 0 H GLN A 112 -10.553 8.824 -0.806 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.739 7.789 -3.295 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.385 10.213 -2.485 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.184 9.711 -4.152 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.217 7.532 -3.648 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.363 7.971 -1.958 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.449 7.233 -3.917 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.576 8.593 -3.957 1.00 0.00 H new ATOM 1734 N GLU A 113 -8.596 10.811 -2.572 1.00 0.00 N ATOM 1735 CA GLU A 113 -7.568 11.786 -2.919 1.00 0.00 C ATOM 1736 C GLU A 113 -6.179 11.155 -2.863 1.00 0.00 C ATOM 1737 O GLU A 113 -5.202 11.734 -3.338 1.00 0.00 O ATOM 1738 CB GLU A 113 -7.633 12.987 -1.974 1.00 0.00 C ATOM 1739 CG GLU A 113 -9.018 13.603 -1.867 1.00 0.00 C ATOM 1740 CD GLU A 113 -8.974 15.090 -1.571 1.00 0.00 C ATOM 1741 OE1 GLU A 113 -8.745 15.455 -0.400 1.00 0.00 O ATOM 1742 OE2 GLU A 113 -9.169 15.888 -2.512 1.00 0.00 O ATOM 0 H GLU A 113 -9.185 11.081 -1.785 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.754 12.125 -3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.305 12.676 -0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.932 13.747 -2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.558 13.438 -2.799 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.577 13.096 -1.081 1.00 0.00 H new ATOM 1749 N LYS A 114 -6.100 9.965 -2.277 1.00 0.00 N ATOM 1750 CA LYS A 114 -4.832 9.254 -2.158 1.00 0.00 C ATOM 1751 C LYS A 114 -4.670 8.239 -3.285 1.00 0.00 C ATOM 1752 O LYS A 114 -3.556 7.972 -3.737 1.00 0.00 O ATOM 1753 CB LYS A 114 -4.747 8.546 -0.804 1.00 0.00 C ATOM 1754 CG LYS A 114 -3.327 8.398 -0.284 1.00 0.00 C ATOM 1755 CD LYS A 114 -3.208 7.236 0.688 1.00 0.00 C ATOM 1756 CE LYS A 114 -2.124 7.486 1.725 1.00 0.00 C ATOM 1757 NZ LYS A 114 -2.660 8.172 2.933 1.00 0.00 N ATOM 0 H LYS A 114 -6.899 9.473 -1.877 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.026 9.984 -2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.336 9.102 -0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.198 7.558 -0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.646 8.245 -1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.022 9.320 0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.163 7.080 1.189 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.983 6.322 0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.674 6.537 2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.333 8.092 1.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.139 7.852 3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.548 9.200 2.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.669 7.944 3.043 1.00 0.00 H new ATOM 1771 N TYR A 115 -5.787 7.679 -3.736 1.00 0.00 N ATOM 1772 CA TYR A 115 -5.767 6.693 -4.810 1.00 0.00 C ATOM 1773 C TYR A 115 -6.513 7.209 -6.037 1.00 0.00 C ATOM 1774 O TYR A 115 -5.959 7.267 -7.134 1.00 0.00 O ATOM 1775 CB TYR A 115 -6.391 5.379 -4.336 1.00 0.00 C ATOM 1776 CG TYR A 115 -5.870 4.910 -2.995 1.00 0.00 C ATOM 1777 CD1 TYR A 115 -4.509 4.914 -2.717 1.00 0.00 C ATOM 1778 CD2 TYR A 115 -6.740 4.466 -2.007 1.00 0.00 C ATOM 1779 CE1 TYR A 115 -4.029 4.486 -1.494 1.00 0.00 C ATOM 1780 CE2 TYR A 115 -6.269 4.038 -0.781 1.00 0.00 C ATOM 1781 CZ TYR A 115 -4.913 4.049 -0.530 1.00 0.00 C ATOM 1782 OH TYR A 115 -4.439 3.624 0.690 1.00 0.00 O ATOM 0 H TYR A 115 -6.717 7.891 -3.375 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.728 6.515 -5.087 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.472 5.502 -4.274 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.200 4.606 -5.081 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -3.814 5.257 -3.469 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.802 4.455 -2.201 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.968 4.494 -1.294 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.959 3.697 -0.023 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.495 3.376 0.606 1.00 0.00 H new ATOM 1792 N GLU A 116 -7.774 7.582 -5.841 1.00 0.00 N ATOM 1793 CA GLU A 116 -8.597 8.093 -6.931 1.00 0.00 C ATOM 1794 C GLU A 116 -7.944 9.309 -7.581 1.00 0.00 C ATOM 1795 O GLU A 116 -7.942 9.448 -8.805 1.00 0.00 O ATOM 1796 CB GLU A 116 -9.990 8.462 -6.418 1.00 0.00 C ATOM 1797 CG GLU A 116 -10.986 7.316 -6.481 1.00 0.00 C ATOM 1798 CD GLU A 116 -10.371 5.987 -6.088 1.00 0.00 C ATOM 1799 OE1 GLU A 116 -9.872 5.878 -4.948 1.00 0.00 O ATOM 1800 OE2 GLU A 116 -10.389 5.056 -6.920 1.00 0.00 O ATOM 0 H GLU A 116 -8.247 7.540 -4.938 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.690 7.308 -7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.909 8.805 -5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.374 9.298 -7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.826 7.533 -5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.386 7.242 -7.492 1.00 0.00 H new ATOM 1807 N LYS A 117 -7.390 10.189 -6.754 1.00 0.00 N ATOM 1808 CA LYS A 117 -6.732 11.394 -7.246 1.00 0.00 C ATOM 1809 C LYS A 117 -5.215 11.250 -7.185 1.00 0.00 C ATOM 1810 O LYS A 117 -4.490 11.866 -7.966 1.00 0.00 O ATOM 1811 CB LYS A 117 -7.173 12.610 -6.428 1.00 0.00 C ATOM 1812 CG LYS A 117 -8.657 12.621 -6.105 1.00 0.00 C ATOM 1813 CD LYS A 117 -9.472 13.202 -7.248 1.00 0.00 C ATOM 1814 CE LYS A 117 -10.864 13.610 -6.789 1.00 0.00 C ATOM 1815 NZ LYS A 117 -10.824 14.786 -5.876 1.00 0.00 N ATOM 0 H LYS A 117 -7.384 10.090 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 117 -7.023 11.538 -8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.607 12.635 -5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -6.923 13.517 -6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -8.993 11.605 -5.897 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.829 13.205 -5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -8.955 14.068 -7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -9.553 12.467 -8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.479 13.845 -7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -11.339 12.771 -6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -11.764 15.230 -5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -10.552 14.475 -4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -10.129 15.475 -6.227 1.00 0.00 H new ATOM 1829 N LYS A 118 -4.740 10.430 -6.252 1.00 0.00 N ATOM 1830 CA LYS A 118 -3.309 10.202 -6.090 1.00 0.00 C ATOM 1831 C LYS A 118 -2.566 11.520 -5.903 1.00 0.00 C ATOM 1832 O LYS A 118 -1.571 11.784 -6.578 1.00 0.00 O ATOM 1833 CB LYS A 118 -2.750 9.457 -7.304 1.00 0.00 C ATOM 1834 CG LYS A 118 -2.780 7.946 -7.157 1.00 0.00 C ATOM 1835 CD LYS A 118 -2.263 7.254 -8.407 1.00 0.00 C ATOM 1836 CE LYS A 118 -2.389 5.742 -8.300 1.00 0.00 C ATOM 1837 NZ LYS A 118 -3.804 5.293 -8.423 1.00 0.00 N ATOM 0 H LYS A 118 -5.326 9.913 -5.597 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.162 9.593 -5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -3.322 9.739 -8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.722 9.777 -7.474 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.175 7.651 -6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.800 7.619 -6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.820 7.606 -9.276 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -1.219 7.523 -8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -1.790 5.272 -9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -1.985 5.411 -7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -3.994 4.548 -7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.440 6.098 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -3.967 4.918 -9.379 1.00 0.00 H new ATOM 1851 N ARG A 119 -3.054 12.344 -4.981 1.00 0.00 N ATOM 1852 CA ARG A 119 -2.435 13.635 -4.705 1.00 0.00 C ATOM 1853 C ARG A 119 -1.004 13.456 -4.207 1.00 0.00 C ATOM 1854 O ARG A 119 -0.049 13.827 -4.889 1.00 0.00 O ATOM 1855 CB ARG A 119 -3.255 14.406 -3.669 1.00 0.00 C ATOM 1856 CG ARG A 119 -3.000 15.905 -3.683 1.00 0.00 C ATOM 1857 CD ARG A 119 -4.134 16.669 -3.018 1.00 0.00 C ATOM 1858 NE ARG A 119 -4.069 18.100 -3.301 1.00 0.00 N ATOM 1859 CZ ARG A 119 -3.205 18.926 -2.721 1.00 0.00 C ATOM 1860 NH1 ARG A 119 -2.337 18.464 -1.832 1.00 0.00 N ATOM 1861 NH2 ARG A 119 -3.208 20.216 -3.031 1.00 0.00 N ATOM 0 H ARG A 119 -3.876 12.140 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 119 -2.409 14.204 -5.634 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.315 14.225 -3.849 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.029 14.017 -2.676 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.064 16.121 -3.168 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -2.884 16.246 -4.712 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.089 16.274 -3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.095 16.510 -1.940 1.00 0.00 H new ATOM 0 HE ARG A 119 -4.723 18.487 -3.982 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -2.332 17.473 -1.592 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -1.675 19.100 -1.388 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.874 20.575 -3.715 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -2.544 20.849 -2.585 1.00 0.00 H new ATOM 1875 N TRP A 120 -0.865 12.887 -3.015 1.00 0.00 N ATOM 1876 CA TRP A 120 0.450 12.660 -2.426 1.00 0.00 C ATOM 1877 C TRP A 120 1.051 11.350 -2.924 1.00 0.00 C ATOM 1878 O TRP A 120 1.667 10.608 -2.159 1.00 0.00 O ATOM 1879 CB TRP A 120 0.351 12.642 -0.900 1.00 0.00 C ATOM 1880 CG TRP A 120 -0.563 13.695 -0.352 1.00 0.00 C ATOM 1881 CD1 TRP A 120 -0.228 14.974 -0.009 1.00 0.00 C ATOM 1882 CD2 TRP A 120 -1.963 13.559 -0.081 1.00 0.00 C ATOM 1883 NE1 TRP A 120 -1.335 15.641 0.458 1.00 0.00 N ATOM 1884 CE2 TRP A 120 -2.412 14.795 0.423 1.00 0.00 C ATOM 1885 CE3 TRP A 120 -2.880 12.514 -0.217 1.00 0.00 C ATOM 1886 CZ2 TRP A 120 -3.737 15.011 0.791 1.00 0.00 C ATOM 1887 CZ3 TRP A 120 -4.195 12.730 0.149 1.00 0.00 C ATOM 1888 CH2 TRP A 120 -4.614 13.971 0.647 1.00 0.00 C ATOM 0 H TRP A 120 -1.646 12.575 -2.438 1.00 0.00 H new ATOM 0 HA TRP A 120 1.104 13.477 -2.732 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -0.001 11.662 -0.577 1.00 0.00 H new ATOM 0 HB3 TRP A 120 1.346 12.779 -0.477 1.00 0.00 H new ATOM 0 HD1 TRP A 120 0.761 15.399 -0.093 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -1.352 16.609 0.779 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.567 11.554 -0.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.061 15.966 1.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -4.912 11.929 0.050 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -5.649 14.109 0.922 1.00 0.00 H new ATOM 1899 N TYR A 121 0.868 11.072 -4.210 1.00 0.00 N ATOM 1900 CA TYR A 121 1.390 9.849 -4.809 1.00 0.00 C ATOM 1901 C TYR A 121 2.809 10.061 -5.330 1.00 0.00 C ATOM 1902 O TYR A 121 3.014 10.688 -6.369 1.00 0.00 O ATOM 1903 CB TYR A 121 0.481 9.386 -5.949 1.00 0.00 C ATOM 1904 CG TYR A 121 1.057 8.246 -6.758 1.00 0.00 C ATOM 1905 CD1 TYR A 121 1.682 7.172 -6.136 1.00 0.00 C ATOM 1906 CD2 TYR A 121 0.976 8.242 -8.145 1.00 0.00 C ATOM 1907 CE1 TYR A 121 2.211 6.129 -6.871 1.00 0.00 C ATOM 1908 CE2 TYR A 121 1.501 7.203 -8.889 1.00 0.00 C ATOM 1909 CZ TYR A 121 2.117 6.149 -8.247 1.00 0.00 C ATOM 1910 OH TYR A 121 2.642 5.111 -8.983 1.00 0.00 O ATOM 0 H TYR A 121 0.362 11.677 -4.858 1.00 0.00 H new ATOM 0 HA TYR A 121 1.416 9.079 -4.038 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.479 9.078 -5.535 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.286 10.229 -6.612 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.755 7.152 -5.059 1.00 0.00 H new ATOM 0 HD2 TYR A 121 0.494 9.066 -8.651 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.695 5.303 -6.371 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.430 7.216 -9.967 1.00 0.00 H new ATOM 0 HH TYR A 121 2.492 5.278 -9.937 1.00 0.00 H new ATOM 1920 N VAL A 122 3.785 9.533 -4.599 1.00 0.00 N ATOM 1921 CA VAL A 122 5.185 9.661 -4.985 1.00 0.00 C ATOM 1922 C VAL A 122 5.911 8.325 -4.875 1.00 0.00 C ATOM 1923 O VAL A 122 6.335 7.908 -3.797 1.00 0.00 O ATOM 1924 CB VAL A 122 5.914 10.703 -4.116 1.00 0.00 C ATOM 1925 CG1 VAL A 122 7.386 10.778 -4.494 1.00 0.00 C ATOM 1926 CG2 VAL A 122 5.251 12.065 -4.249 1.00 0.00 C ATOM 0 H VAL A 122 3.632 9.012 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 122 5.197 9.992 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 122 5.847 10.392 -3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 122 7.885 11.519 -3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.851 9.804 -4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.478 11.065 -5.542 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.779 12.789 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.285 12.386 -5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.213 11.998 -3.924 1.00 0.00 H new ATOM 1936 N PRO A 123 6.059 7.636 -6.016 1.00 0.00 N ATOM 1937 CA PRO A 123 6.734 6.336 -6.074 1.00 0.00 C ATOM 1938 C PRO A 123 8.236 6.452 -5.835 1.00 0.00 C ATOM 1939 O PRO A 123 8.843 7.502 -6.048 1.00 0.00 O ATOM 1940 CB PRO A 123 6.456 5.855 -7.500 1.00 0.00 C ATOM 1941 CG PRO A 123 6.229 7.102 -8.283 1.00 0.00 C ATOM 1942 CD PRO A 123 5.578 8.072 -7.337 1.00 0.00 C ATOM 0 HA PRO A 123 6.374 5.655 -5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.297 5.286 -7.897 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.584 5.202 -7.535 1.00 0.00 H new ATOM 0 HG2 PRO A 123 7.169 7.500 -8.664 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.591 6.910 -9.146 1.00 0.00 H new ATOM 0 HD2 PRO A 123 5.870 9.100 -7.552 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.491 8.029 -7.403 1.00 0.00 H new ATOM 1950 N PRO A 124 8.851 5.350 -5.381 1.00 0.00 N ATOM 1951 CA PRO A 124 10.290 5.303 -5.104 1.00 0.00 C ATOM 1952 C PRO A 124 11.127 5.366 -6.377 1.00 0.00 C ATOM 1953 O PRO A 124 12.175 6.009 -6.409 1.00 0.00 O ATOM 1954 CB PRO A 124 10.473 3.952 -4.409 1.00 0.00 C ATOM 1955 CG PRO A 124 9.339 3.118 -4.896 1.00 0.00 C ATOM 1956 CD PRO A 124 8.189 4.064 -5.104 1.00 0.00 C ATOM 0 HA PRO A 124 10.619 6.153 -4.506 1.00 0.00 H new ATOM 0 HB2 PRO A 124 11.433 3.503 -4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.449 4.058 -3.324 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.599 2.610 -5.824 1.00 0.00 H new ATOM 0 HG3 PRO A 124 9.083 2.346 -4.171 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.556 3.751 -5.934 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.552 4.122 -4.222 1.00 0.00 H new ATOM 1964 N GLU A 125 10.657 4.694 -7.423 1.00 0.00 N ATOM 1965 CA GLU A 125 11.364 4.674 -8.698 1.00 0.00 C ATOM 1966 C GLU A 125 11.945 6.048 -9.019 1.00 0.00 C ATOM 1967 O GLU A 125 13.050 6.156 -9.552 1.00 0.00 O ATOM 1968 CB GLU A 125 10.424 4.230 -9.821 1.00 0.00 C ATOM 1969 CG GLU A 125 10.212 2.726 -9.878 1.00 0.00 C ATOM 1970 CD GLU A 125 9.330 2.219 -8.754 1.00 0.00 C ATOM 1971 OE1 GLU A 125 8.411 2.956 -8.340 1.00 0.00 O ATOM 1972 OE2 GLU A 125 9.559 1.083 -8.288 1.00 0.00 O ATOM 0 H GLU A 125 9.790 4.157 -7.413 1.00 0.00 H new ATOM 0 HA GLU A 125 12.185 3.961 -8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 125 9.459 4.720 -9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 125 10.827 4.568 -10.776 1.00 0.00 H new ATOM 0 HG2 GLU A 125 9.762 2.462 -10.835 1.00 0.00 H new ATOM 0 HG3 GLU A 125 11.179 2.224 -9.831 1.00 0.00 H new ATOM 1979 N GLN A 126 11.193 7.093 -8.693 1.00 0.00 N ATOM 1980 CA GLN A 126 11.632 8.460 -8.948 1.00 0.00 C ATOM 1981 C GLN A 126 12.194 9.096 -7.680 1.00 0.00 C ATOM 1982 O GLN A 126 13.238 9.746 -7.711 1.00 0.00 O ATOM 1983 CB GLN A 126 10.472 9.300 -9.484 1.00 0.00 C ATOM 1984 CG GLN A 126 10.874 10.712 -9.878 1.00 0.00 C ATOM 1985 CD GLN A 126 11.480 10.780 -11.265 1.00 0.00 C ATOM 1986 OE1 GLN A 126 12.689 10.956 -11.419 1.00 0.00 O ATOM 1987 NE2 GLN A 126 10.641 10.641 -12.285 1.00 0.00 N ATOM 0 H GLN A 126 10.276 7.020 -8.252 1.00 0.00 H new ATOM 0 HA GLN A 126 12.423 8.427 -9.698 1.00 0.00 H new ATOM 0 HB2 GLN A 126 10.042 8.799 -10.351 1.00 0.00 H new ATOM 0 HB3 GLN A 126 9.691 9.352 -8.725 1.00 0.00 H new ATOM 0 HG2 GLN A 126 9.999 11.360 -9.836 1.00 0.00 H new ATOM 0 HG3 GLN A 126 11.591 11.097 -9.153 1.00 0.00 H new ATOM 0 HE21 GLN A 126 9.646 10.497 -12.111 1.00 0.00 H new ATOM 0 HE22 GLN A 126 10.991 10.678 -13.242 1.00 0.00 H new ATOM 1996 N ALA A 127 11.493 8.905 -6.568 1.00 0.00 N ATOM 1997 CA ALA A 127 11.922 9.459 -5.290 1.00 0.00 C ATOM 1998 C ALA A 127 13.436 9.361 -5.129 1.00 0.00 C ATOM 1999 O ALA A 127 14.105 10.351 -4.832 1.00 0.00 O ATOM 2000 CB ALA A 127 11.221 8.747 -4.143 1.00 0.00 C ATOM 0 H ALA A 127 10.625 8.371 -6.526 1.00 0.00 H new ATOM 0 HA ALA A 127 11.648 10.514 -5.270 1.00 0.00 H new ATOM 0 HB1 ALA A 127 11.551 9.172 -3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 127 10.143 8.873 -4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 127 11.466 7.685 -4.170 1.00 0.00 H new ATOM 2006 N LYS A 128 13.970 8.160 -5.327 1.00 0.00 N ATOM 2007 CA LYS A 128 15.405 7.931 -5.205 1.00 0.00 C ATOM 2008 C LYS A 128 16.117 8.231 -6.520 1.00 0.00 C ATOM 2009 O LYS A 128 15.482 8.355 -7.567 1.00 0.00 O ATOM 2010 CB LYS A 128 15.677 6.486 -4.783 1.00 0.00 C ATOM 2011 CG LYS A 128 15.396 5.470 -5.876 1.00 0.00 C ATOM 2012 CD LYS A 128 15.527 4.046 -5.362 1.00 0.00 C ATOM 2013 CE LYS A 128 16.975 3.580 -5.373 1.00 0.00 C ATOM 2014 NZ LYS A 128 17.157 2.316 -4.607 1.00 0.00 N ATOM 0 H LYS A 128 13.430 7.330 -5.573 1.00 0.00 H new ATOM 0 HA LYS A 128 15.792 8.605 -4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 128 16.719 6.396 -4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 128 15.065 6.249 -3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 128 14.391 5.625 -6.268 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.088 5.624 -6.704 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.132 3.987 -4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 128 14.924 3.379 -5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.301 3.431 -6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.610 4.357 -4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.157 2.032 -4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 16.870 2.465 -3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 16.571 1.567 -5.028 1.00 0.00 H new ATOM 2028 N SER A 129 17.440 8.346 -6.458 1.00 0.00 N ATOM 2029 CA SER A 129 18.238 8.634 -7.644 1.00 0.00 C ATOM 2030 C SER A 129 18.738 7.344 -8.289 1.00 0.00 C ATOM 2031 O SER A 129 18.883 6.320 -7.623 1.00 0.00 O ATOM 2032 CB SER A 129 19.425 9.529 -7.281 1.00 0.00 C ATOM 2033 OG SER A 129 20.223 8.934 -6.272 1.00 0.00 O ATOM 0 H SER A 129 17.981 8.244 -5.600 1.00 0.00 H new ATOM 0 HA SER A 129 17.604 9.156 -8.360 1.00 0.00 H new ATOM 0 HB2 SER A 129 20.031 9.712 -8.168 1.00 0.00 H new ATOM 0 HB3 SER A 129 19.062 10.498 -6.938 1.00 0.00 H new ATOM 0 HG SER A 129 20.975 9.525 -6.059 1.00 0.00 H new ATOM 2039 N GLY A 130 18.998 7.404 -9.591 1.00 0.00 N ATOM 2040 CA GLY A 130 19.478 6.235 -10.305 1.00 0.00 C ATOM 2041 C GLY A 130 20.219 6.597 -11.578 1.00 0.00 C ATOM 2042 O GLY A 130 20.506 7.764 -11.843 1.00 0.00 O ATOM 0 H GLY A 130 18.885 8.240 -10.164 1.00 0.00 H new ATOM 0 HA2 GLY A 130 20.138 5.661 -9.654 1.00 0.00 H new ATOM 0 HA3 GLY A 130 18.634 5.591 -10.550 1.00 0.00 H new ATOM 2046 N PRO A 131 20.541 5.579 -12.389 1.00 0.00 N ATOM 2047 CA PRO A 131 21.258 5.771 -13.653 1.00 0.00 C ATOM 2048 C PRO A 131 20.401 6.467 -14.706 1.00 0.00 C ATOM 2049 O PRO A 131 20.899 6.869 -15.758 1.00 0.00 O ATOM 2050 CB PRO A 131 21.590 4.343 -14.093 1.00 0.00 C ATOM 2051 CG PRO A 131 20.550 3.495 -13.445 1.00 0.00 C ATOM 2052 CD PRO A 131 20.230 4.162 -12.135 1.00 0.00 C ATOM 0 HA PRO A 131 22.133 6.409 -13.532 1.00 0.00 H new ATOM 0 HB2 PRO A 131 21.560 4.246 -15.178 1.00 0.00 H new ATOM 0 HB3 PRO A 131 22.592 4.053 -13.775 1.00 0.00 H new ATOM 0 HG2 PRO A 131 19.662 3.420 -14.072 1.00 0.00 H new ATOM 0 HG3 PRO A 131 20.916 2.480 -13.287 1.00 0.00 H new ATOM 0 HD2 PRO A 131 19.185 4.023 -11.858 1.00 0.00 H new ATOM 0 HD3 PRO A 131 20.832 3.758 -11.321 1.00 0.00 H new ATOM 2060 N SER A 132 19.112 6.607 -14.415 1.00 0.00 N ATOM 2061 CA SER A 132 18.186 7.252 -15.338 1.00 0.00 C ATOM 2062 C SER A 132 17.306 8.261 -14.607 1.00 0.00 C ATOM 2063 O SER A 132 16.387 7.888 -13.879 1.00 0.00 O ATOM 2064 CB SER A 132 17.312 6.205 -16.032 1.00 0.00 C ATOM 2065 OG SER A 132 16.884 6.660 -17.304 1.00 0.00 O ATOM 0 H SER A 132 18.685 6.282 -13.547 1.00 0.00 H new ATOM 0 HA SER A 132 18.771 7.782 -16.089 1.00 0.00 H new ATOM 0 HB2 SER A 132 17.871 5.276 -16.144 1.00 0.00 H new ATOM 0 HB3 SER A 132 16.444 5.982 -15.411 1.00 0.00 H new ATOM 0 HG SER A 132 16.329 5.972 -17.728 1.00 0.00 H new ATOM 2071 N SER A 133 17.595 9.543 -14.808 1.00 0.00 N ATOM 2072 CA SER A 133 16.833 10.608 -14.166 1.00 0.00 C ATOM 2073 C SER A 133 15.879 11.267 -15.158 1.00 0.00 C ATOM 2074 O SER A 133 16.203 12.287 -15.765 1.00 0.00 O ATOM 2075 CB SER A 133 17.779 11.657 -13.578 1.00 0.00 C ATOM 2076 OG SER A 133 18.426 11.165 -12.417 1.00 0.00 O ATOM 0 H SER A 133 18.351 9.869 -15.410 1.00 0.00 H new ATOM 0 HA SER A 133 16.245 10.167 -13.361 1.00 0.00 H new ATOM 0 HB2 SER A 133 18.524 11.938 -14.322 1.00 0.00 H new ATOM 0 HB3 SER A 133 17.219 12.559 -13.332 1.00 0.00 H new ATOM 0 HG SER A 133 19.026 11.853 -12.061 1.00 0.00 H new ATOM 2082 N GLY A 134 14.699 10.675 -15.317 1.00 0.00 N ATOM 2083 CA GLY A 134 13.715 11.217 -16.235 1.00 0.00 C ATOM 2084 C GLY A 134 13.348 12.652 -15.912 1.00 0.00 C ATOM 2085 O GLY A 134 12.161 12.959 -15.810 1.00 0.00 O ATOM 0 H GLY A 134 14.407 9.830 -14.826 1.00 0.00 H new ATOM 0 HA2 GLY A 134 14.104 11.165 -17.252 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.817 10.600 -16.205 1.00 0.00 H new TER 2089 GLY A 134 HETATM 2090 ZN ZN A 401 -9.296 0.485 8.735 1.00 0.00 ZN