USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 722 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 67 LYS NZ :NH3+ -123:sc= -0.293 (180deg=-0.625) USER MOD Set 1.2: A 68 THR OG1 : rot 180:sc= 0.00226 USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= 0.769 USER MOD Set 2.2: A 62 SER OG : rot -122:sc= 0.33 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0783 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 64:sc= 0.0372 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 166:sc= -0.802 (180deg=-1.54!) USER MOD Single : A 20 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.2!) USER MOD Single : A 23 MET CE :methyl 159:sc= 0 (180deg=-0.667) USER MOD Single : A 26 ASN : amide:sc= -0.146 K(o=-0.15,f=-0.68) USER MOD Single : A 27 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.9!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 120:sc= -3.55! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -3.44 K(o=-3.4,f=-8.3!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.47) USER MOD Single : A 50 MET CE :methyl -145:sc= -2.55 (180deg=-4.65!) USER MOD Single : A 51 SER OG : rot 160:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.598 USER MOD Single : A 65 SER OG : rot 29:sc= 0.11 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -1.04 X(o=-1,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= 1.16 (180deg=1.05) USER MOD Single : A 79 GLN : amide:sc= -0.772 K(o=-0.77,f=-0.14) USER MOD Single : A 81 MET CE :methyl -178:sc= -2.75! (180deg=-2.98!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 130:sc= -0.474 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 27:sc= 0.0458 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.028 -20.288 -12.794 1.00 0.00 N ATOM 2 CA GLY A 1 -28.889 -21.330 -12.264 1.00 0.00 C ATOM 3 C GLY A 1 -29.659 -20.878 -11.039 1.00 0.00 C ATOM 4 O GLY A 1 -29.613 -19.706 -10.666 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.261 -20.120 -13.794 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.171 -19.411 -12.253 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.034 -20.585 -12.716 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.592 -21.644 -13.036 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.285 -22.201 -12.009 1.00 0.00 H new ATOM 8 N SER A 2 -30.371 -21.810 -10.413 1.00 0.00 N ATOM 9 CA SER A 2 -31.160 -21.500 -9.226 1.00 0.00 C ATOM 10 C SER A 2 -30.959 -22.561 -8.149 1.00 0.00 C ATOM 11 O SER A 2 -30.694 -23.725 -8.450 1.00 0.00 O ATOM 12 CB SER A 2 -32.643 -21.397 -9.586 1.00 0.00 C ATOM 13 OG SER A 2 -33.344 -20.608 -8.640 1.00 0.00 O ATOM 0 H SER A 2 -30.418 -22.785 -10.708 1.00 0.00 H new ATOM 0 HA SER A 2 -30.821 -20.541 -8.835 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.750 -20.960 -10.579 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.080 -22.394 -9.628 1.00 0.00 H new ATOM 0 HG SER A 2 -34.289 -20.556 -8.894 1.00 0.00 H new ATOM 19 N SER A 3 -31.088 -22.151 -6.891 1.00 0.00 N ATOM 20 CA SER A 3 -30.917 -23.064 -5.767 1.00 0.00 C ATOM 21 C SER A 3 -29.774 -24.040 -6.029 1.00 0.00 C ATOM 22 O SER A 3 -29.929 -25.250 -5.876 1.00 0.00 O ATOM 23 CB SER A 3 -32.212 -23.836 -5.509 1.00 0.00 C ATOM 24 OG SER A 3 -32.568 -24.625 -6.630 1.00 0.00 O ATOM 0 H SER A 3 -31.311 -21.192 -6.625 1.00 0.00 H new ATOM 0 HA SER A 3 -30.672 -22.473 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.090 -24.475 -4.635 1.00 0.00 H new ATOM 0 HB3 SER A 3 -33.017 -23.137 -5.282 1.00 0.00 H new ATOM 0 HG SER A 3 -31.881 -25.308 -6.781 1.00 0.00 H new ATOM 30 N GLY A 4 -28.624 -23.502 -6.426 1.00 0.00 N ATOM 31 CA GLY A 4 -27.471 -24.338 -6.703 1.00 0.00 C ATOM 32 C GLY A 4 -26.931 -25.013 -5.458 1.00 0.00 C ATOM 33 O GLY A 4 -27.371 -26.103 -5.093 1.00 0.00 O ATOM 0 H GLY A 4 -28.471 -22.503 -6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.745 -25.098 -7.435 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.686 -23.731 -7.153 1.00 0.00 H new ATOM 37 N SER A 5 -25.972 -24.364 -4.804 1.00 0.00 N ATOM 38 CA SER A 5 -25.367 -24.911 -3.595 1.00 0.00 C ATOM 39 C SER A 5 -25.574 -23.970 -2.411 1.00 0.00 C ATOM 40 O SER A 5 -24.982 -22.892 -2.350 1.00 0.00 O ATOM 41 CB SER A 5 -23.873 -25.154 -3.813 1.00 0.00 C ATOM 42 OG SER A 5 -23.654 -26.304 -4.612 1.00 0.00 O ATOM 0 H SER A 5 -25.598 -23.460 -5.091 1.00 0.00 H new ATOM 0 HA SER A 5 -25.853 -25.861 -3.372 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.426 -24.283 -4.293 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.377 -25.277 -2.850 1.00 0.00 H new ATOM 0 HG SER A 5 -22.691 -26.436 -4.738 1.00 0.00 H new ATOM 48 N SER A 6 -26.417 -24.387 -1.473 1.00 0.00 N ATOM 49 CA SER A 6 -26.706 -23.582 -0.292 1.00 0.00 C ATOM 50 C SER A 6 -27.568 -24.359 0.698 1.00 0.00 C ATOM 51 O SER A 6 -28.486 -25.078 0.308 1.00 0.00 O ATOM 52 CB SER A 6 -27.413 -22.285 -0.693 1.00 0.00 C ATOM 53 OG SER A 6 -28.701 -22.549 -1.220 1.00 0.00 O ATOM 0 H SER A 6 -26.912 -25.278 -1.507 1.00 0.00 H new ATOM 0 HA SER A 6 -25.760 -23.338 0.191 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.499 -21.631 0.174 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.815 -21.755 -1.434 1.00 0.00 H new ATOM 0 HG SER A 6 -29.133 -21.705 -1.467 1.00 0.00 H new ATOM 59 N GLY A 7 -27.264 -24.207 1.984 1.00 0.00 N ATOM 60 CA GLY A 7 -28.020 -24.900 3.011 1.00 0.00 C ATOM 61 C GLY A 7 -27.161 -25.293 4.197 1.00 0.00 C ATOM 62 O GLY A 7 -27.359 -26.353 4.791 1.00 0.00 O ATOM 0 H GLY A 7 -26.508 -23.617 2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.834 -24.261 3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -28.474 -25.794 2.583 1.00 0.00 H new ATOM 66 N ARG A 8 -26.203 -24.439 4.540 1.00 0.00 N ATOM 67 CA ARG A 8 -25.308 -24.704 5.661 1.00 0.00 C ATOM 68 C ARG A 8 -24.649 -26.073 5.518 1.00 0.00 C ATOM 69 O ARG A 8 -24.540 -26.826 6.486 1.00 0.00 O ATOM 70 CB ARG A 8 -26.076 -24.631 6.982 1.00 0.00 C ATOM 71 CG ARG A 8 -26.583 -23.238 7.315 1.00 0.00 C ATOM 72 CD ARG A 8 -27.964 -22.992 6.726 1.00 0.00 C ATOM 73 NE ARG A 8 -28.999 -23.749 7.424 1.00 0.00 N ATOM 74 CZ ARG A 8 -30.300 -23.526 7.273 1.00 0.00 C ATOM 75 NH1 ARG A 8 -30.722 -22.573 6.453 1.00 0.00 N ATOM 76 NH2 ARG A 8 -31.182 -24.258 7.942 1.00 0.00 N ATOM 0 H ARG A 8 -26.026 -23.558 4.058 1.00 0.00 H new ATOM 0 HA ARG A 8 -24.528 -23.942 5.659 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -26.923 -25.316 6.939 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -25.429 -24.975 7.788 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -26.620 -23.112 8.397 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -25.885 -22.494 6.931 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -28.196 -21.928 6.778 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -27.963 -23.267 5.671 1.00 0.00 H new ATOM 0 HE ARG A 8 -28.707 -24.489 8.062 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -30.047 -22.009 5.936 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -31.721 -22.404 6.339 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -30.861 -24.993 8.573 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -32.181 -24.086 7.825 1.00 0.00 H new ATOM 90 N LYS A 9 -24.211 -26.389 4.304 1.00 0.00 N ATOM 91 CA LYS A 9 -23.562 -27.666 4.033 1.00 0.00 C ATOM 92 C LYS A 9 -22.230 -27.459 3.319 1.00 0.00 C ATOM 93 O LYS A 9 -21.973 -26.390 2.763 1.00 0.00 O ATOM 94 CB LYS A 9 -24.474 -28.556 3.185 1.00 0.00 C ATOM 95 CG LYS A 9 -25.565 -29.246 3.986 1.00 0.00 C ATOM 96 CD LYS A 9 -26.258 -30.325 3.170 1.00 0.00 C ATOM 97 CE LYS A 9 -27.276 -29.729 2.209 1.00 0.00 C ATOM 98 NZ LYS A 9 -27.881 -30.767 1.329 1.00 0.00 N ATOM 0 H LYS A 9 -24.294 -25.778 3.492 1.00 0.00 H new ATOM 0 HA LYS A 9 -23.371 -28.157 4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -24.935 -27.951 2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -23.868 -29.312 2.686 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -25.134 -29.688 4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -26.298 -28.509 4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -25.515 -30.892 2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -26.755 -31.026 3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -28.062 -29.230 2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -26.794 -28.968 1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -28.569 -30.321 0.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -27.134 -31.226 0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -28.363 -31.480 1.913 1.00 0.00 H new ATOM 112 N ILE A 10 -21.388 -28.486 3.336 1.00 0.00 N ATOM 113 CA ILE A 10 -20.085 -28.417 2.688 1.00 0.00 C ATOM 114 C ILE A 10 -20.145 -28.977 1.271 1.00 0.00 C ATOM 115 O ILE A 10 -20.508 -30.136 1.064 1.00 0.00 O ATOM 116 CB ILE A 10 -19.017 -29.186 3.487 1.00 0.00 C ATOM 117 CG1 ILE A 10 -18.895 -28.613 4.901 1.00 0.00 C ATOM 118 CG2 ILE A 10 -17.676 -29.129 2.770 1.00 0.00 C ATOM 119 CD1 ILE A 10 -18.456 -29.632 5.929 1.00 0.00 C ATOM 0 H ILE A 10 -21.585 -29.377 3.792 1.00 0.00 H new ATOM 0 HA ILE A 10 -19.808 -27.363 2.648 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.323 -30.229 3.563 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -18.182 -27.789 4.890 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -19.857 -28.198 5.201 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -16.931 -29.677 3.347 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -17.772 -29.579 1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -17.362 -28.090 2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -18.391 -29.157 6.908 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -19.181 -30.445 5.968 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -17.479 -30.030 5.653 1.00 0.00 H new ATOM 131 N LEU A 11 -19.785 -28.148 0.297 1.00 0.00 N ATOM 132 CA LEU A 11 -19.795 -28.561 -1.102 1.00 0.00 C ATOM 133 C LEU A 11 -18.674 -27.878 -1.880 1.00 0.00 C ATOM 134 O LEU A 11 -17.952 -27.040 -1.340 1.00 0.00 O ATOM 135 CB LEU A 11 -21.147 -28.234 -1.740 1.00 0.00 C ATOM 136 CG LEU A 11 -22.378 -28.794 -1.028 1.00 0.00 C ATOM 137 CD1 LEU A 11 -22.852 -27.835 0.053 1.00 0.00 C ATOM 138 CD2 LEU A 11 -23.494 -29.067 -2.027 1.00 0.00 C ATOM 0 H LEU A 11 -19.483 -27.186 0.450 1.00 0.00 H new ATOM 0 HA LEU A 11 -19.633 -29.638 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -21.247 -27.150 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -21.143 -28.608 -2.764 1.00 0.00 H new ATOM 0 HG LEU A 11 -22.102 -29.736 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -23.729 -28.251 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -22.057 -27.689 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -23.110 -26.877 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -24.363 -29.465 -1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -23.768 -28.139 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -23.152 -29.792 -2.765 1.00 0.00 H new ATOM 150 N ASP A 12 -18.536 -28.242 -3.150 1.00 0.00 N ATOM 151 CA ASP A 12 -17.506 -27.663 -4.003 1.00 0.00 C ATOM 152 C ASP A 12 -17.728 -26.164 -4.184 1.00 0.00 C ATOM 153 O ASP A 12 -18.669 -25.743 -4.857 1.00 0.00 O ATOM 154 CB ASP A 12 -17.493 -28.356 -5.366 1.00 0.00 C ATOM 155 CG ASP A 12 -18.807 -28.203 -6.107 1.00 0.00 C ATOM 156 OD1 ASP A 12 -19.806 -28.816 -5.676 1.00 0.00 O ATOM 157 OD2 ASP A 12 -18.836 -27.469 -7.116 1.00 0.00 O ATOM 0 H ASP A 12 -19.125 -28.936 -3.611 1.00 0.00 H new ATOM 0 HA ASP A 12 -16.542 -27.814 -3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -16.687 -27.943 -5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -17.278 -29.416 -5.229 1.00 0.00 H new ATOM 162 N SER A 13 -16.857 -25.364 -3.577 1.00 0.00 N ATOM 163 CA SER A 13 -16.961 -23.913 -3.666 1.00 0.00 C ATOM 164 C SER A 13 -15.581 -23.275 -3.789 1.00 0.00 C ATOM 165 O SER A 13 -14.559 -23.936 -3.597 1.00 0.00 O ATOM 166 CB SER A 13 -17.685 -23.356 -2.439 1.00 0.00 C ATOM 167 OG SER A 13 -19.078 -23.609 -2.509 1.00 0.00 O ATOM 0 H SER A 13 -16.071 -25.697 -3.018 1.00 0.00 H new ATOM 0 HA SER A 13 -17.535 -23.670 -4.560 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.275 -23.807 -1.535 1.00 0.00 H new ATOM 0 HB3 SER A 13 -17.511 -22.283 -2.366 1.00 0.00 H new ATOM 0 HG SER A 13 -19.517 -23.245 -1.712 1.00 0.00 H new ATOM 173 N LYS A 14 -15.557 -21.987 -4.112 1.00 0.00 N ATOM 174 CA LYS A 14 -14.304 -21.257 -4.260 1.00 0.00 C ATOM 175 C LYS A 14 -14.104 -20.279 -3.107 1.00 0.00 C ATOM 176 O LYS A 14 -15.068 -19.739 -2.564 1.00 0.00 O ATOM 177 CB LYS A 14 -14.283 -20.503 -5.592 1.00 0.00 C ATOM 178 CG LYS A 14 -14.147 -21.410 -6.802 1.00 0.00 C ATOM 179 CD LYS A 14 -15.505 -21.859 -7.318 1.00 0.00 C ATOM 180 CE LYS A 14 -16.130 -20.812 -8.226 1.00 0.00 C ATOM 181 NZ LYS A 14 -17.617 -20.886 -8.216 1.00 0.00 N ATOM 0 H LYS A 14 -16.393 -21.426 -4.277 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.488 -21.980 -4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.200 -19.922 -5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.455 -19.794 -5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.612 -20.885 -7.593 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.550 -22.283 -6.538 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.396 -22.797 -7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.169 -22.055 -6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.814 -19.819 -7.907 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.766 -20.950 -9.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.005 -20.156 -8.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.920 -21.825 -8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.966 -20.729 -7.249 1.00 0.00 H new ATOM 195 N ALA A 15 -12.847 -20.054 -2.739 1.00 0.00 N ATOM 196 CA ALA A 15 -12.521 -19.138 -1.653 1.00 0.00 C ATOM 197 C ALA A 15 -12.564 -17.689 -2.125 1.00 0.00 C ATOM 198 O ALA A 15 -11.753 -17.272 -2.953 1.00 0.00 O ATOM 199 CB ALA A 15 -11.152 -19.467 -1.077 1.00 0.00 C ATOM 0 H ALA A 15 -12.038 -20.494 -3.177 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.271 -19.260 -0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.922 -18.775 -0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.154 -20.487 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.397 -19.375 -1.858 1.00 0.00 H new ATOM 205 N ILE A 16 -13.515 -16.927 -1.595 1.00 0.00 N ATOM 206 CA ILE A 16 -13.662 -15.524 -1.963 1.00 0.00 C ATOM 207 C ILE A 16 -12.304 -14.870 -2.192 1.00 0.00 C ATOM 208 O ILE A 16 -11.452 -14.857 -1.304 1.00 0.00 O ATOM 209 CB ILE A 16 -14.423 -14.735 -0.881 1.00 0.00 C ATOM 210 CG1 ILE A 16 -15.799 -15.359 -0.637 1.00 0.00 C ATOM 211 CG2 ILE A 16 -14.562 -13.276 -1.289 1.00 0.00 C ATOM 212 CD1 ILE A 16 -16.697 -15.338 -1.854 1.00 0.00 C ATOM 0 H ILE A 16 -14.195 -17.257 -0.910 1.00 0.00 H new ATOM 0 HA ILE A 16 -14.235 -15.500 -2.890 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.855 -14.780 0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.668 -16.391 -0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -16.291 -14.826 0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -15.102 -12.731 -0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -13.572 -12.838 -1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -15.112 -13.212 -2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -17.655 -15.796 -1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -16.858 -14.307 -2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -16.226 -15.895 -2.664 1.00 0.00 H new ATOM 224 N ASP A 17 -12.109 -14.327 -3.389 1.00 0.00 N ATOM 225 CA ASP A 17 -10.855 -13.668 -3.735 1.00 0.00 C ATOM 226 C ASP A 17 -10.613 -12.457 -2.840 1.00 0.00 C ATOM 227 O ASP A 17 -10.771 -11.313 -3.269 1.00 0.00 O ATOM 228 CB ASP A 17 -10.868 -13.239 -5.203 1.00 0.00 C ATOM 229 CG ASP A 17 -12.268 -12.958 -5.712 1.00 0.00 C ATOM 230 OD1 ASP A 17 -12.855 -11.935 -5.302 1.00 0.00 O ATOM 231 OD2 ASP A 17 -12.777 -13.762 -6.521 1.00 0.00 O ATOM 0 H ASP A 17 -12.804 -14.330 -4.136 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.044 -14.379 -3.580 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.255 -12.346 -5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.414 -14.021 -5.811 1.00 0.00 H new ATOM 236 N LEU A 18 -10.230 -12.715 -1.594 1.00 0.00 N ATOM 237 CA LEU A 18 -9.967 -11.646 -0.637 1.00 0.00 C ATOM 238 C LEU A 18 -8.532 -11.144 -0.763 1.00 0.00 C ATOM 239 O LEU A 18 -8.298 -9.983 -1.098 1.00 0.00 O ATOM 240 CB LEU A 18 -10.224 -12.137 0.789 1.00 0.00 C ATOM 241 CG LEU A 18 -11.590 -12.776 1.042 1.00 0.00 C ATOM 242 CD1 LEU A 18 -11.491 -13.830 2.134 1.00 0.00 C ATOM 243 CD2 LEU A 18 -12.615 -11.715 1.413 1.00 0.00 C ATOM 0 H LEU A 18 -10.095 -13.655 -1.223 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.643 -10.820 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.452 -12.862 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.108 -11.293 1.469 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.918 -13.263 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.472 -14.274 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.789 -14.606 1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.141 -13.367 3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.581 -12.188 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.293 -11.199 2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.706 -10.997 0.598 1.00 0.00 H new ATOM 255 N MET A 19 -7.576 -12.027 -0.495 1.00 0.00 N ATOM 256 CA MET A 19 -6.163 -11.673 -0.582 1.00 0.00 C ATOM 257 C MET A 19 -5.877 -10.887 -1.857 1.00 0.00 C ATOM 258 O MET A 19 -4.906 -10.136 -1.929 1.00 0.00 O ATOM 259 CB MET A 19 -5.297 -12.934 -0.540 1.00 0.00 C ATOM 260 CG MET A 19 -5.420 -13.797 -1.785 1.00 0.00 C ATOM 261 SD MET A 19 -6.865 -14.875 -1.743 1.00 0.00 S ATOM 262 CE MET A 19 -7.463 -14.706 -3.423 1.00 0.00 C ATOM 0 H MET A 19 -7.753 -12.992 -0.216 1.00 0.00 H new ATOM 0 HA MET A 19 -5.918 -11.044 0.273 1.00 0.00 H new ATOM 0 HB2 MET A 19 -4.254 -12.645 -0.410 1.00 0.00 H new ATOM 0 HB3 MET A 19 -5.574 -13.527 0.332 1.00 0.00 H new ATOM 0 HG2 MET A 19 -5.476 -13.154 -2.664 1.00 0.00 H new ATOM 0 HG3 MET A 19 -4.521 -14.405 -1.891 1.00 0.00 H new ATOM 0 HE1 MET A 19 -8.193 -15.489 -3.630 1.00 0.00 H new ATOM 0 HE2 MET A 19 -7.933 -13.730 -3.545 1.00 0.00 H new ATOM 0 HE3 MET A 19 -6.628 -14.796 -4.117 1.00 0.00 H new ATOM 272 N ASN A 20 -6.730 -11.065 -2.861 1.00 0.00 N ATOM 273 CA ASN A 20 -6.567 -10.372 -4.134 1.00 0.00 C ATOM 274 C ASN A 20 -6.344 -8.879 -3.915 1.00 0.00 C ATOM 275 O ASN A 20 -5.379 -8.305 -4.419 1.00 0.00 O ATOM 276 CB ASN A 20 -7.796 -10.592 -5.018 1.00 0.00 C ATOM 277 CG ASN A 20 -7.463 -10.529 -6.496 1.00 0.00 C ATOM 278 OD1 ASN A 20 -6.303 -10.658 -6.889 1.00 0.00 O ATOM 279 ND2 ASN A 20 -8.482 -10.331 -7.324 1.00 0.00 N ATOM 0 H ASN A 20 -7.540 -11.683 -2.818 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.690 -10.782 -4.634 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.236 -11.562 -4.789 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -8.548 -9.838 -4.785 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.320 -10.280 -8.330 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.427 -10.229 -6.954 1.00 0.00 H new ATOM 286 N ALA A 21 -7.244 -8.256 -3.161 1.00 0.00 N ATOM 287 CA ALA A 21 -7.144 -6.830 -2.874 1.00 0.00 C ATOM 288 C ALA A 21 -5.689 -6.401 -2.726 1.00 0.00 C ATOM 289 O ALA A 21 -5.257 -5.416 -3.328 1.00 0.00 O ATOM 290 CB ALA A 21 -7.927 -6.490 -1.614 1.00 0.00 C ATOM 0 H ALA A 21 -8.050 -8.716 -2.738 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.573 -6.284 -3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.844 -5.422 -1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.976 -6.752 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.523 -7.052 -0.772 1.00 0.00 H new ATOM 296 N LEU A 22 -4.936 -7.143 -1.922 1.00 0.00 N ATOM 297 CA LEU A 22 -3.528 -6.838 -1.695 1.00 0.00 C ATOM 298 C LEU A 22 -2.764 -6.775 -3.014 1.00 0.00 C ATOM 299 O LEU A 22 -2.259 -5.721 -3.400 1.00 0.00 O ATOM 300 CB LEU A 22 -2.899 -7.890 -0.779 1.00 0.00 C ATOM 301 CG LEU A 22 -3.096 -7.678 0.722 1.00 0.00 C ATOM 302 CD1 LEU A 22 -2.681 -8.919 1.496 1.00 0.00 C ATOM 303 CD2 LEU A 22 -2.311 -6.463 1.196 1.00 0.00 C ATOM 0 H LEU A 22 -5.277 -7.960 -1.416 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.467 -5.862 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.308 -8.865 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.829 -7.927 -0.983 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.155 -7.497 0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.828 -8.749 2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.287 -9.767 1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.629 -9.132 1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.463 -6.327 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.250 -6.615 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.657 -5.576 0.665 1.00 0.00 H new ATOM 315 N MET A 23 -2.687 -7.909 -3.702 1.00 0.00 N ATOM 316 CA MET A 23 -1.988 -7.981 -4.981 1.00 0.00 C ATOM 317 C MET A 23 -2.343 -6.787 -5.861 1.00 0.00 C ATOM 318 O MET A 23 -1.467 -6.170 -6.469 1.00 0.00 O ATOM 319 CB MET A 23 -2.336 -9.283 -5.704 1.00 0.00 C ATOM 320 CG MET A 23 -1.421 -10.442 -5.341 1.00 0.00 C ATOM 321 SD MET A 23 -2.163 -12.048 -5.688 1.00 0.00 S ATOM 322 CE MET A 23 -3.118 -12.310 -4.196 1.00 0.00 C ATOM 0 H MET A 23 -3.099 -8.790 -3.396 1.00 0.00 H new ATOM 0 HA MET A 23 -0.916 -7.959 -4.783 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.365 -9.556 -5.469 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.288 -9.116 -6.780 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.487 -10.350 -5.896 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.170 -10.383 -4.282 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.904 -13.039 -4.391 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.465 -12.682 -3.407 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.567 -11.368 -3.881 1.00 0.00 H new ATOM 332 N ARG A 24 -3.631 -6.466 -5.926 1.00 0.00 N ATOM 333 CA ARG A 24 -4.100 -5.347 -6.734 1.00 0.00 C ATOM 334 C ARG A 24 -3.337 -4.071 -6.390 1.00 0.00 C ATOM 335 O ARG A 24 -2.654 -3.495 -7.238 1.00 0.00 O ATOM 336 CB ARG A 24 -5.599 -5.131 -6.522 1.00 0.00 C ATOM 337 CG ARG A 24 -6.441 -6.357 -6.832 1.00 0.00 C ATOM 338 CD ARG A 24 -6.663 -6.518 -8.328 1.00 0.00 C ATOM 339 NE ARG A 24 -5.587 -7.276 -8.962 1.00 0.00 N ATOM 340 CZ ARG A 24 -5.623 -7.687 -10.224 1.00 0.00 C ATOM 341 NH1 ARG A 24 -6.675 -7.414 -10.984 1.00 0.00 N ATOM 342 NH2 ARG A 24 -4.605 -8.371 -10.730 1.00 0.00 N ATOM 0 H ARG A 24 -4.368 -6.965 -5.429 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.919 -5.586 -7.782 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.772 -4.834 -5.488 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.931 -4.305 -7.150 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.949 -7.246 -6.439 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.404 -6.276 -6.327 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.613 -7.023 -8.501 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.736 -5.534 -8.792 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.763 -7.502 -8.405 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.459 -6.887 -10.599 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.700 -7.731 -11.953 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.793 -8.582 -10.149 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.634 -8.686 -11.700 1.00 0.00 H new ATOM 356 N LEU A 25 -3.459 -3.633 -5.141 1.00 0.00 N ATOM 357 CA LEU A 25 -2.782 -2.425 -4.684 1.00 0.00 C ATOM 358 C LEU A 25 -1.346 -2.379 -5.196 1.00 0.00 C ATOM 359 O LEU A 25 -0.850 -1.324 -5.590 1.00 0.00 O ATOM 360 CB LEU A 25 -2.794 -2.356 -3.156 1.00 0.00 C ATOM 361 CG LEU A 25 -2.685 -0.959 -2.546 1.00 0.00 C ATOM 362 CD1 LEU A 25 -3.979 -0.185 -2.749 1.00 0.00 C ATOM 363 CD2 LEU A 25 -2.342 -1.048 -1.066 1.00 0.00 C ATOM 0 H LEU A 25 -4.021 -4.097 -4.427 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.318 -1.564 -5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.716 -2.816 -2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.969 -2.961 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.882 -0.424 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.882 0.807 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.183 -0.090 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.800 -0.717 -2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.268 -0.044 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.123 -1.602 -0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.389 -1.562 -0.944 1.00 0.00 H new ATOM 375 N ASN A 26 -0.683 -3.531 -5.187 1.00 0.00 N ATOM 376 CA ASN A 26 0.697 -3.623 -5.651 1.00 0.00 C ATOM 377 C ASN A 26 0.771 -3.472 -7.168 1.00 0.00 C ATOM 378 O ASN A 26 1.702 -2.863 -7.695 1.00 0.00 O ATOM 379 CB ASN A 26 1.311 -4.959 -5.230 1.00 0.00 C ATOM 380 CG ASN A 26 1.607 -5.017 -3.744 1.00 0.00 C ATOM 381 OD1 ASN A 26 2.498 -4.326 -3.250 1.00 0.00 O ATOM 382 ND2 ASN A 26 0.858 -5.844 -3.023 1.00 0.00 N ATOM 0 H ASN A 26 -1.079 -4.414 -4.864 1.00 0.00 H new ATOM 0 HA ASN A 26 1.263 -2.811 -5.194 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.630 -5.768 -5.494 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.233 -5.124 -5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.011 -5.925 -2.018 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.130 -6.398 -3.475 1.00 0.00 H new ATOM 389 N GLN A 27 -0.216 -4.029 -7.862 1.00 0.00 N ATOM 390 CA GLN A 27 -0.262 -3.956 -9.317 1.00 0.00 C ATOM 391 C GLN A 27 -0.444 -2.516 -9.785 1.00 0.00 C ATOM 392 O GLN A 27 0.380 -1.986 -10.531 1.00 0.00 O ATOM 393 CB GLN A 27 -1.397 -4.827 -9.857 1.00 0.00 C ATOM 394 CG GLN A 27 -1.020 -6.292 -10.009 1.00 0.00 C ATOM 395 CD GLN A 27 -0.275 -6.572 -11.299 1.00 0.00 C ATOM 396 OE1 GLN A 27 -0.239 -5.736 -12.203 1.00 0.00 O ATOM 397 NE2 GLN A 27 0.327 -7.752 -11.392 1.00 0.00 N ATOM 0 H GLN A 27 -0.994 -4.536 -7.440 1.00 0.00 H new ATOM 0 HA GLN A 27 0.687 -4.327 -9.704 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.254 -4.748 -9.188 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.712 -4.439 -10.826 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.401 -6.594 -9.164 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.923 -6.901 -9.976 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.272 -8.415 -10.619 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.845 -7.995 -12.237 1.00 0.00 H new ATOM 406 N ILE A 28 -1.527 -1.887 -9.341 1.00 0.00 N ATOM 407 CA ILE A 28 -1.816 -0.508 -9.713 1.00 0.00 C ATOM 408 C ILE A 28 -0.794 0.450 -9.110 1.00 0.00 C ATOM 409 O ILE A 28 -0.350 1.393 -9.765 1.00 0.00 O ATOM 410 CB ILE A 28 -3.227 -0.087 -9.262 1.00 0.00 C ATOM 411 CG1 ILE A 28 -3.407 -0.351 -7.765 1.00 0.00 C ATOM 412 CG2 ILE A 28 -4.284 -0.827 -10.067 1.00 0.00 C ATOM 413 CD1 ILE A 28 -4.719 0.163 -7.215 1.00 0.00 C ATOM 0 H ILE A 28 -2.219 -2.311 -8.723 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.761 -0.456 -10.800 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.346 0.982 -9.441 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.341 -1.424 -7.583 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.586 0.116 -7.221 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.276 -0.518 -9.736 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.165 -0.593 -11.125 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.170 -1.901 -9.918 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.779 -0.059 -6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.779 1.241 -7.365 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.546 -0.322 -7.733 1.00 0.00 H new ATOM 425 N ARG A 29 -0.425 0.201 -7.858 1.00 0.00 N ATOM 426 CA ARG A 29 0.546 1.041 -7.166 1.00 0.00 C ATOM 427 C ARG A 29 1.737 0.215 -6.689 1.00 0.00 C ATOM 428 O ARG A 29 1.761 -0.293 -5.568 1.00 0.00 O ATOM 429 CB ARG A 29 -0.112 1.743 -5.977 1.00 0.00 C ATOM 430 CG ARG A 29 -1.305 2.603 -6.361 1.00 0.00 C ATOM 431 CD ARG A 29 -0.876 3.831 -7.149 1.00 0.00 C ATOM 432 NE ARG A 29 -0.257 4.841 -6.294 1.00 0.00 N ATOM 433 CZ ARG A 29 0.137 6.031 -6.732 1.00 0.00 C ATOM 434 NH1 ARG A 29 -0.022 6.359 -8.006 1.00 0.00 N ATOM 435 NH2 ARG A 29 0.692 6.897 -5.893 1.00 0.00 N ATOM 0 H ARG A 29 -0.783 -0.575 -7.302 1.00 0.00 H new ATOM 0 HA ARG A 29 0.906 1.792 -7.869 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.434 0.992 -5.255 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.630 2.367 -5.479 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.003 2.014 -6.955 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.836 2.914 -5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.173 3.535 -7.928 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.743 4.262 -7.650 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.120 4.620 -5.308 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.448 5.696 -8.654 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.282 7.274 -8.339 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.816 6.648 -4.912 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.995 7.811 -6.230 1.00 0.00 H new ATOM 449 N PRO A 30 2.748 0.077 -7.559 1.00 0.00 N ATOM 450 CA PRO A 30 3.961 -0.686 -7.248 1.00 0.00 C ATOM 451 C PRO A 30 4.827 0.004 -6.200 1.00 0.00 C ATOM 452 O PRO A 30 4.755 1.219 -6.022 1.00 0.00 O ATOM 453 CB PRO A 30 4.694 -0.749 -8.590 1.00 0.00 C ATOM 454 CG PRO A 30 4.212 0.444 -9.341 1.00 0.00 C ATOM 455 CD PRO A 30 2.787 0.655 -8.912 1.00 0.00 C ATOM 0 HA PRO A 30 3.730 -1.664 -6.826 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.775 -0.720 -8.452 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.465 -1.672 -9.123 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.821 1.319 -9.116 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.276 0.280 -10.417 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.522 1.712 -8.905 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.088 0.156 -9.582 1.00 0.00 H new ATOM 463 N GLY A 31 5.648 -0.781 -5.507 1.00 0.00 N ATOM 464 CA GLY A 31 6.516 -0.227 -4.485 1.00 0.00 C ATOM 465 C GLY A 31 5.743 0.447 -3.369 1.00 0.00 C ATOM 466 O GLY A 31 5.782 1.670 -3.228 1.00 0.00 O ATOM 0 H GLY A 31 5.727 -1.790 -5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.133 -1.022 -4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.193 0.495 -4.941 1.00 0.00 H new ATOM 470 N LEU A 32 5.036 -0.350 -2.576 1.00 0.00 N ATOM 471 CA LEU A 32 4.247 0.177 -1.467 1.00 0.00 C ATOM 472 C LEU A 32 4.981 -0.005 -0.142 1.00 0.00 C ATOM 473 O LEU A 32 5.833 -0.883 -0.011 1.00 0.00 O ATOM 474 CB LEU A 32 2.885 -0.516 -1.409 1.00 0.00 C ATOM 475 CG LEU A 32 1.906 -0.167 -2.531 1.00 0.00 C ATOM 476 CD1 LEU A 32 0.851 -1.253 -2.676 1.00 0.00 C ATOM 477 CD2 LEU A 32 1.253 1.182 -2.269 1.00 0.00 C ATOM 0 H LEU A 32 4.993 -1.364 -2.680 1.00 0.00 H new ATOM 0 HA LEU A 32 4.097 1.244 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.047 -1.594 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.416 -0.272 -0.456 1.00 0.00 H new ATOM 0 HG LEU A 32 2.463 -0.103 -3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.163 -0.987 -3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.335 -2.201 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.298 -1.350 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.560 1.414 -3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.710 1.146 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.021 1.954 -2.217 1.00 0.00 H new ATOM 489 N GLN A 33 4.641 0.828 0.836 1.00 0.00 N ATOM 490 CA GLN A 33 5.266 0.756 2.151 1.00 0.00 C ATOM 491 C GLN A 33 4.214 0.760 3.255 1.00 0.00 C ATOM 492 O GLN A 33 3.669 1.808 3.603 1.00 0.00 O ATOM 493 CB GLN A 33 6.230 1.928 2.345 1.00 0.00 C ATOM 494 CG GLN A 33 5.554 3.288 2.290 1.00 0.00 C ATOM 495 CD GLN A 33 6.498 4.393 1.859 1.00 0.00 C ATOM 496 OE1 GLN A 33 7.575 4.563 2.432 1.00 0.00 O ATOM 497 NE2 GLN A 33 6.100 5.151 0.844 1.00 0.00 N ATOM 0 H GLN A 33 3.937 1.560 0.743 1.00 0.00 H new ATOM 0 HA GLN A 33 5.824 -0.179 2.210 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.731 1.820 3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.002 1.884 1.576 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.713 3.244 1.598 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.146 3.527 3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.200 4.975 0.398 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.695 5.909 0.510 1.00 0.00 H new ATOM 506 N TYR A 34 3.933 -0.417 3.802 1.00 0.00 N ATOM 507 CA TYR A 34 2.944 -0.550 4.865 1.00 0.00 C ATOM 508 C TYR A 34 3.600 -0.434 6.237 1.00 0.00 C ATOM 509 O TYR A 34 4.641 -1.039 6.494 1.00 0.00 O ATOM 510 CB TYR A 34 2.214 -1.889 4.747 1.00 0.00 C ATOM 511 CG TYR A 34 1.690 -2.173 3.358 1.00 0.00 C ATOM 512 CD1 TYR A 34 2.474 -2.831 2.419 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.410 -1.781 2.984 1.00 0.00 C ATOM 514 CE1 TYR A 34 1.999 -3.092 1.148 1.00 0.00 C ATOM 515 CE2 TYR A 34 -0.074 -2.039 1.716 1.00 0.00 C ATOM 516 CZ TYR A 34 0.724 -2.694 0.801 1.00 0.00 C ATOM 517 OH TYR A 34 0.247 -2.952 -0.463 1.00 0.00 O ATOM 0 H TYR A 34 4.376 -1.293 3.527 1.00 0.00 H new ATOM 0 HA TYR A 34 2.222 0.260 4.758 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.892 -2.690 5.041 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.381 -1.902 5.450 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.472 -3.144 2.687 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.217 -1.266 3.697 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.622 -3.605 0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.072 -1.730 1.443 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.554 -3.514 -0.402 1.00 0.00 H new ATOM 527 N LYS A 35 2.983 0.347 7.117 1.00 0.00 N ATOM 528 CA LYS A 35 3.503 0.542 8.465 1.00 0.00 C ATOM 529 C LYS A 35 2.400 0.370 9.504 1.00 0.00 C ATOM 530 O LYS A 35 1.219 0.560 9.209 1.00 0.00 O ATOM 531 CB LYS A 35 4.129 1.933 8.596 1.00 0.00 C ATOM 532 CG LYS A 35 5.345 2.138 7.709 1.00 0.00 C ATOM 533 CD LYS A 35 6.587 1.503 8.311 1.00 0.00 C ATOM 534 CE LYS A 35 7.848 2.252 7.906 1.00 0.00 C ATOM 535 NZ LYS A 35 9.032 1.813 8.696 1.00 0.00 N ATOM 0 H LYS A 35 2.121 0.856 6.920 1.00 0.00 H new ATOM 0 HA LYS A 35 4.268 -0.213 8.645 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.379 2.685 8.350 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.415 2.097 9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.156 1.708 6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.515 3.205 7.563 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.502 1.493 9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.659 0.465 7.987 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.040 2.093 6.845 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.695 3.322 8.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.871 2.347 8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.859 1.988 9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.194 0.797 8.544 1.00 0.00 H new ATOM 549 N LEU A 36 2.791 0.012 10.722 1.00 0.00 N ATOM 550 CA LEU A 36 1.835 -0.184 11.806 1.00 0.00 C ATOM 551 C LEU A 36 1.810 1.026 12.735 1.00 0.00 C ATOM 552 O LEU A 36 2.692 1.193 13.578 1.00 0.00 O ATOM 553 CB LEU A 36 2.186 -1.444 12.600 1.00 0.00 C ATOM 554 CG LEU A 36 1.072 -2.015 13.479 1.00 0.00 C ATOM 555 CD1 LEU A 36 -0.057 -2.563 12.620 1.00 0.00 C ATOM 556 CD2 LEU A 36 1.620 -3.098 14.397 1.00 0.00 C ATOM 0 H LEU A 36 3.764 -0.148 10.984 1.00 0.00 H new ATOM 0 HA LEU A 36 0.844 -0.303 11.367 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.499 -2.216 11.898 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.044 -1.222 13.234 1.00 0.00 H new ATOM 0 HG LEU A 36 0.673 -1.210 14.097 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.841 -2.965 13.262 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.467 -1.762 12.005 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.327 -3.355 11.977 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.814 -3.493 15.015 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.045 -3.903 13.797 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.394 -2.675 15.037 1.00 0.00 H new ATOM 568 N LEU A 37 0.793 1.865 12.576 1.00 0.00 N ATOM 569 CA LEU A 37 0.650 3.059 13.402 1.00 0.00 C ATOM 570 C LEU A 37 0.778 2.716 14.883 1.00 0.00 C ATOM 571 O LEU A 37 1.515 3.368 15.621 1.00 0.00 O ATOM 572 CB LEU A 37 -0.699 3.729 13.137 1.00 0.00 C ATOM 573 CG LEU A 37 -0.915 4.265 11.721 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.360 4.697 11.529 1.00 0.00 C ATOM 575 CD2 LEU A 37 0.032 5.422 11.438 1.00 0.00 C ATOM 0 H LEU A 37 0.055 1.741 11.883 1.00 0.00 H new ATOM 0 HA LEU A 37 1.450 3.751 13.138 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.489 3.010 13.356 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.816 4.555 13.839 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.699 3.465 11.013 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.495 5.076 10.516 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.019 3.844 11.688 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.603 5.482 12.245 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.136 5.791 10.426 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.151 6.225 12.152 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.063 5.080 11.533 1.00 0.00 H new ATOM 587 N SER A 38 0.055 1.685 15.310 1.00 0.00 N ATOM 588 CA SER A 38 0.086 1.255 16.703 1.00 0.00 C ATOM 589 C SER A 38 -0.722 -0.025 16.895 1.00 0.00 C ATOM 590 O SER A 38 -1.565 -0.368 16.066 1.00 0.00 O ATOM 591 CB SER A 38 -0.461 2.358 17.612 1.00 0.00 C ATOM 592 OG SER A 38 -0.139 2.107 18.969 1.00 0.00 O ATOM 0 H SER A 38 -0.559 1.133 14.711 1.00 0.00 H new ATOM 0 HA SER A 38 1.123 1.053 16.972 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.049 3.321 17.309 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.543 2.424 17.498 1.00 0.00 H new ATOM 0 HG SER A 38 -0.498 2.827 19.529 1.00 0.00 H new ATOM 598 N GLN A 39 -0.457 -0.726 17.992 1.00 0.00 N ATOM 599 CA GLN A 39 -1.159 -1.968 18.293 1.00 0.00 C ATOM 600 C GLN A 39 -1.790 -1.916 19.680 1.00 0.00 C ATOM 601 O GLN A 39 -1.122 -1.597 20.664 1.00 0.00 O ATOM 602 CB GLN A 39 -0.199 -3.156 18.200 1.00 0.00 C ATOM 603 CG GLN A 39 -0.880 -4.503 18.378 1.00 0.00 C ATOM 604 CD GLN A 39 -1.097 -4.860 19.836 1.00 0.00 C ATOM 605 OE1 GLN A 39 -2.165 -4.611 20.395 1.00 0.00 O ATOM 606 NE2 GLN A 39 -0.082 -5.446 20.459 1.00 0.00 N ATOM 0 H GLN A 39 0.239 -0.455 18.687 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.954 -2.093 17.558 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.299 -3.135 17.231 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.576 -3.047 18.959 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.841 -4.490 17.864 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.276 -5.277 17.905 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.785 -5.633 19.956 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.169 -5.709 21.441 1.00 0.00 H new ATOM 615 N SER A 40 -3.079 -2.230 19.751 1.00 0.00 N ATOM 616 CA SER A 40 -3.801 -2.214 21.018 1.00 0.00 C ATOM 617 C SER A 40 -4.656 -3.469 21.172 1.00 0.00 C ATOM 618 O SER A 40 -4.942 -4.162 20.196 1.00 0.00 O ATOM 619 CB SER A 40 -4.684 -0.968 21.110 1.00 0.00 C ATOM 620 OG SER A 40 -4.942 -0.625 22.461 1.00 0.00 O ATOM 0 H SER A 40 -3.645 -2.499 18.946 1.00 0.00 H new ATOM 0 HA SER A 40 -3.069 -2.193 21.825 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.195 -0.134 20.607 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.625 -1.146 20.590 1.00 0.00 H new ATOM 0 HG SER A 40 -5.507 0.175 22.493 1.00 0.00 H new ATOM 626 N GLY A 41 -5.060 -3.754 22.406 1.00 0.00 N ATOM 627 CA GLY A 41 -5.877 -4.925 22.666 1.00 0.00 C ATOM 628 C GLY A 41 -5.110 -6.020 23.382 1.00 0.00 C ATOM 629 O GLY A 41 -3.967 -5.834 23.801 1.00 0.00 O ATOM 0 H GLY A 41 -4.836 -3.195 23.230 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.739 -4.637 23.268 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.262 -5.312 21.723 1.00 0.00 H new ATOM 633 N PRO A 42 -5.746 -7.191 23.531 1.00 0.00 N ATOM 634 CA PRO A 42 -5.135 -8.343 24.202 1.00 0.00 C ATOM 635 C PRO A 42 -3.998 -8.951 23.389 1.00 0.00 C ATOM 636 O PRO A 42 -3.593 -8.404 22.363 1.00 0.00 O ATOM 637 CB PRO A 42 -6.293 -9.335 24.328 1.00 0.00 C ATOM 638 CG PRO A 42 -7.225 -8.973 23.224 1.00 0.00 C ATOM 639 CD PRO A 42 -7.109 -7.483 23.057 1.00 0.00 C ATOM 0 HA PRO A 42 -4.686 -8.068 25.156 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.945 -10.363 24.231 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.780 -9.253 25.300 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.959 -9.491 22.303 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.248 -9.260 23.467 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.246 -7.183 22.018 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.860 -6.953 23.643 1.00 0.00 H new ATOM 647 N VAL A 43 -3.486 -10.087 23.853 1.00 0.00 N ATOM 648 CA VAL A 43 -2.396 -10.771 23.167 1.00 0.00 C ATOM 649 C VAL A 43 -2.930 -11.749 22.126 1.00 0.00 C ATOM 650 O VAL A 43 -2.292 -11.990 21.101 1.00 0.00 O ATOM 651 CB VAL A 43 -1.500 -11.535 24.160 1.00 0.00 C ATOM 652 CG1 VAL A 43 -2.258 -12.699 24.778 1.00 0.00 C ATOM 653 CG2 VAL A 43 -0.233 -12.019 23.470 1.00 0.00 C ATOM 0 H VAL A 43 -3.809 -10.553 24.701 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.803 -10.003 22.670 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.213 -10.854 24.961 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.608 -13.226 25.477 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.132 -12.323 25.309 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.577 -13.383 23.992 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.389 -12.557 24.186 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.498 -12.684 22.648 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.319 -11.163 23.081 1.00 0.00 H new ATOM 663 N HIS A 44 -4.105 -12.309 22.395 1.00 0.00 N ATOM 664 CA HIS A 44 -4.726 -13.261 21.481 1.00 0.00 C ATOM 665 C HIS A 44 -5.563 -12.538 20.431 1.00 0.00 C ATOM 666 O HIS A 44 -5.666 -12.985 19.289 1.00 0.00 O ATOM 667 CB HIS A 44 -5.599 -14.249 22.255 1.00 0.00 C ATOM 668 CG HIS A 44 -6.979 -13.738 22.533 1.00 0.00 C ATOM 669 ND1 HIS A 44 -7.257 -12.822 23.526 1.00 0.00 N ATOM 670 CD2 HIS A 44 -8.163 -14.019 21.940 1.00 0.00 C ATOM 671 CE1 HIS A 44 -8.552 -12.563 23.533 1.00 0.00 C ATOM 672 NE2 HIS A 44 -9.125 -13.276 22.580 1.00 0.00 N ATOM 0 H HIS A 44 -4.646 -12.120 23.239 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.933 -13.810 20.973 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.671 -15.178 21.689 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.112 -14.489 23.200 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.322 -14.700 21.117 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -9.057 -11.884 24.204 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.120 -13.275 22.356 1.00 0.00 H new ATOM 681 N ALA A 45 -6.160 -11.418 20.825 1.00 0.00 N ATOM 682 CA ALA A 45 -6.987 -10.632 19.918 1.00 0.00 C ATOM 683 C ALA A 45 -6.449 -9.213 19.775 1.00 0.00 C ATOM 684 O ALA A 45 -7.162 -8.229 19.978 1.00 0.00 O ATOM 685 CB ALA A 45 -8.428 -10.606 20.406 1.00 0.00 C ATOM 0 H ALA A 45 -6.086 -11.034 21.767 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.956 -11.105 18.936 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.034 -10.015 19.719 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.816 -11.624 20.449 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.468 -10.160 21.400 1.00 0.00 H new ATOM 691 N PRO A 46 -5.162 -9.100 19.417 1.00 0.00 N ATOM 692 CA PRO A 46 -4.500 -7.804 19.238 1.00 0.00 C ATOM 693 C PRO A 46 -5.008 -7.058 18.010 1.00 0.00 C ATOM 694 O PRO A 46 -5.469 -7.670 17.046 1.00 0.00 O ATOM 695 CB PRO A 46 -3.026 -8.180 19.064 1.00 0.00 C ATOM 696 CG PRO A 46 -3.050 -9.574 18.538 1.00 0.00 C ATOM 697 CD PRO A 46 -4.253 -10.229 19.158 1.00 0.00 C ATOM 0 HA PRO A 46 -4.687 -7.132 20.075 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.524 -7.504 18.372 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.489 -8.123 20.011 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.120 -9.580 17.450 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.136 -10.107 18.802 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.703 -10.961 18.487 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.995 -10.756 20.077 1.00 0.00 H new ATOM 705 N VAL A 47 -4.921 -5.732 18.050 1.00 0.00 N ATOM 706 CA VAL A 47 -5.371 -4.902 16.939 1.00 0.00 C ATOM 707 C VAL A 47 -4.189 -4.295 16.193 1.00 0.00 C ATOM 708 O VAL A 47 -3.491 -3.425 16.715 1.00 0.00 O ATOM 709 CB VAL A 47 -6.295 -3.769 17.424 1.00 0.00 C ATOM 710 CG1 VAL A 47 -6.703 -2.878 16.260 1.00 0.00 C ATOM 711 CG2 VAL A 47 -7.519 -4.342 18.122 1.00 0.00 C ATOM 0 H VAL A 47 -4.543 -5.210 18.840 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.928 -5.551 16.264 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.748 -3.159 18.143 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.356 -2.083 16.621 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.813 -2.440 15.808 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.233 -3.472 15.515 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.161 -3.528 18.458 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.071 -4.976 17.427 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.204 -4.934 18.981 1.00 0.00 H new ATOM 721 N PHE A 48 -3.969 -4.759 14.967 1.00 0.00 N ATOM 722 CA PHE A 48 -2.870 -4.262 14.148 1.00 0.00 C ATOM 723 C PHE A 48 -3.343 -3.146 13.221 1.00 0.00 C ATOM 724 O PHE A 48 -3.961 -3.402 12.186 1.00 0.00 O ATOM 725 CB PHE A 48 -2.263 -5.401 13.325 1.00 0.00 C ATOM 726 CG PHE A 48 -1.411 -6.337 14.134 1.00 0.00 C ATOM 727 CD1 PHE A 48 -1.978 -7.415 14.794 1.00 0.00 C ATOM 728 CD2 PHE A 48 -0.044 -6.138 14.233 1.00 0.00 C ATOM 729 CE1 PHE A 48 -1.196 -8.277 15.539 1.00 0.00 C ATOM 730 CE2 PHE A 48 0.743 -6.998 14.977 1.00 0.00 C ATOM 731 CZ PHE A 48 0.166 -8.069 15.630 1.00 0.00 C ATOM 0 H PHE A 48 -4.537 -5.478 14.519 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.108 -3.858 14.814 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.067 -5.968 12.856 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.661 -4.977 12.521 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.043 -7.584 14.726 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.412 -5.302 13.724 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.650 -9.113 16.050 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.808 -6.832 15.047 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.779 -8.743 16.211 1.00 0.00 H new ATOM 741 N THR A 49 -3.051 -1.906 13.599 1.00 0.00 N ATOM 742 CA THR A 49 -3.447 -0.750 12.805 1.00 0.00 C ATOM 743 C THR A 49 -2.403 -0.430 11.741 1.00 0.00 C ATOM 744 O THR A 49 -1.345 0.120 12.043 1.00 0.00 O ATOM 745 CB THR A 49 -3.661 0.493 13.689 1.00 0.00 C ATOM 746 OG1 THR A 49 -4.568 0.186 14.754 1.00 0.00 O ATOM 747 CG2 THR A 49 -4.207 1.652 12.869 1.00 0.00 C ATOM 0 H THR A 49 -2.541 -1.676 14.452 1.00 0.00 H new ATOM 0 HA THR A 49 -4.389 -1.008 12.320 1.00 0.00 H new ATOM 0 HB THR A 49 -2.698 0.786 14.106 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.698 0.981 15.312 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.350 2.519 13.514 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.501 1.902 12.077 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.162 1.367 12.427 1.00 0.00 H new ATOM 755 N MET A 50 -2.709 -0.776 10.495 1.00 0.00 N ATOM 756 CA MET A 50 -1.797 -0.523 9.386 1.00 0.00 C ATOM 757 C MET A 50 -2.137 0.792 8.692 1.00 0.00 C ATOM 758 O MET A 50 -3.205 1.362 8.910 1.00 0.00 O ATOM 759 CB MET A 50 -1.851 -1.674 8.379 1.00 0.00 C ATOM 760 CG MET A 50 -0.854 -2.784 8.670 1.00 0.00 C ATOM 761 SD MET A 50 0.845 -2.303 8.304 1.00 0.00 S ATOM 762 CE MET A 50 1.751 -3.446 9.343 1.00 0.00 C ATOM 0 H MET A 50 -3.581 -1.232 10.228 1.00 0.00 H new ATOM 0 HA MET A 50 -0.787 -0.450 9.789 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.857 -2.093 8.373 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.663 -1.281 7.380 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.929 -3.069 9.719 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.113 -3.664 8.081 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.646 -2.957 9.728 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.121 -3.758 10.176 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.039 -4.320 8.758 1.00 0.00 H new ATOM 772 N SER A 51 -1.221 1.268 7.855 1.00 0.00 N ATOM 773 CA SER A 51 -1.422 2.518 7.131 1.00 0.00 C ATOM 774 C SER A 51 -0.595 2.544 5.850 1.00 0.00 C ATOM 775 O SER A 51 0.513 2.011 5.801 1.00 0.00 O ATOM 776 CB SER A 51 -1.049 3.709 8.016 1.00 0.00 C ATOM 777 OG SER A 51 0.270 3.579 8.518 1.00 0.00 O ATOM 0 H SER A 51 -0.332 0.807 7.661 1.00 0.00 H new ATOM 0 HA SER A 51 -2.476 2.588 6.863 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.134 4.632 7.443 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.752 3.783 8.846 1.00 0.00 H new ATOM 0 HG SER A 51 0.601 4.458 8.799 1.00 0.00 H new ATOM 783 N VAL A 52 -1.143 3.168 4.812 1.00 0.00 N ATOM 784 CA VAL A 52 -0.457 3.265 3.529 1.00 0.00 C ATOM 785 C VAL A 52 -0.760 4.592 2.843 1.00 0.00 C ATOM 786 O VAL A 52 -1.831 5.169 3.029 1.00 0.00 O ATOM 787 CB VAL A 52 -0.857 2.111 2.590 1.00 0.00 C ATOM 788 CG1 VAL A 52 -2.228 2.367 1.983 1.00 0.00 C ATOM 789 CG2 VAL A 52 0.189 1.923 1.502 1.00 0.00 C ATOM 0 H VAL A 52 -2.060 3.614 4.835 1.00 0.00 H new ATOM 0 HA VAL A 52 0.611 3.202 3.736 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.910 1.192 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.493 1.541 1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.969 2.448 2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.206 3.295 1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.110 1.104 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.276 2.840 0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.151 1.690 1.959 1.00 0.00 H new ATOM 799 N ASP A 53 0.191 5.071 2.048 1.00 0.00 N ATOM 800 CA ASP A 53 0.026 6.331 1.332 1.00 0.00 C ATOM 801 C ASP A 53 -0.122 6.088 -0.167 1.00 0.00 C ATOM 802 O ASP A 53 0.815 5.642 -0.830 1.00 0.00 O ATOM 803 CB ASP A 53 1.217 7.253 1.597 1.00 0.00 C ATOM 804 CG ASP A 53 1.494 8.189 0.437 1.00 0.00 C ATOM 805 OD1 ASP A 53 0.886 9.280 0.397 1.00 0.00 O ATOM 806 OD2 ASP A 53 2.318 7.832 -0.429 1.00 0.00 O ATOM 0 H ASP A 53 1.084 4.606 1.883 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.882 6.811 1.696 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.026 7.840 2.496 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.103 6.650 1.793 1.00 0.00 H new ATOM 811 N VAL A 54 -1.305 6.385 -0.696 1.00 0.00 N ATOM 812 CA VAL A 54 -1.576 6.199 -2.116 1.00 0.00 C ATOM 813 C VAL A 54 -2.202 7.449 -2.724 1.00 0.00 C ATOM 814 O VAL A 54 -3.111 8.045 -2.146 1.00 0.00 O ATOM 815 CB VAL A 54 -2.513 5.000 -2.357 1.00 0.00 C ATOM 816 CG1 VAL A 54 -2.823 4.854 -3.839 1.00 0.00 C ATOM 817 CG2 VAL A 54 -1.897 3.724 -1.804 1.00 0.00 C ATOM 0 H VAL A 54 -2.091 6.756 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.618 6.004 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.450 5.181 -1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.486 4.002 -3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.309 5.760 -4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.896 4.695 -4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.572 2.887 -1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.945 3.535 -2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.732 3.834 -0.732 1.00 0.00 H new ATOM 827 N ASP A 55 -1.709 7.841 -3.894 1.00 0.00 N ATOM 828 CA ASP A 55 -2.221 9.020 -4.582 1.00 0.00 C ATOM 829 C ASP A 55 -2.394 10.184 -3.611 1.00 0.00 C ATOM 830 O ASP A 55 -3.409 10.880 -3.635 1.00 0.00 O ATOM 831 CB ASP A 55 -3.555 8.703 -5.260 1.00 0.00 C ATOM 832 CG ASP A 55 -3.786 9.538 -6.504 1.00 0.00 C ATOM 833 OD1 ASP A 55 -2.802 9.824 -7.218 1.00 0.00 O ATOM 834 OD2 ASP A 55 -4.951 9.905 -6.764 1.00 0.00 O ATOM 0 H ASP A 55 -0.956 7.360 -4.385 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.496 9.309 -5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.582 7.646 -5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.368 8.875 -4.554 1.00 0.00 H new ATOM 839 N GLY A 56 -1.396 10.389 -2.757 1.00 0.00 N ATOM 840 CA GLY A 56 -1.458 11.469 -1.789 1.00 0.00 C ATOM 841 C GLY A 56 -2.572 11.278 -0.779 1.00 0.00 C ATOM 842 O GLY A 56 -3.135 12.249 -0.273 1.00 0.00 O ATOM 0 H GLY A 56 -0.546 9.827 -2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.505 11.539 -1.265 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.604 12.414 -2.312 1.00 0.00 H new ATOM 846 N THR A 57 -2.893 10.022 -0.484 1.00 0.00 N ATOM 847 CA THR A 57 -3.949 9.707 0.470 1.00 0.00 C ATOM 848 C THR A 57 -3.477 8.678 1.492 1.00 0.00 C ATOM 849 O THR A 57 -3.130 7.550 1.139 1.00 0.00 O ATOM 850 CB THR A 57 -5.206 9.170 -0.240 1.00 0.00 C ATOM 851 OG1 THR A 57 -5.489 9.961 -1.399 1.00 0.00 O ATOM 852 CG2 THR A 57 -6.404 9.185 0.697 1.00 0.00 C ATOM 0 H THR A 57 -2.437 9.206 -0.892 1.00 0.00 H new ATOM 0 HA THR A 57 -4.200 10.636 0.982 1.00 0.00 H new ATOM 0 HB THR A 57 -5.015 8.140 -0.542 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.288 9.612 -1.846 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.280 8.802 0.174 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.196 8.558 1.564 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.596 10.206 1.026 1.00 0.00 H new ATOM 860 N THR A 58 -3.467 9.073 2.761 1.00 0.00 N ATOM 861 CA THR A 58 -3.038 8.185 3.834 1.00 0.00 C ATOM 862 C THR A 58 -4.210 7.381 4.385 1.00 0.00 C ATOM 863 O THR A 58 -5.066 7.916 5.090 1.00 0.00 O ATOM 864 CB THR A 58 -2.384 8.971 4.986 1.00 0.00 C ATOM 865 OG1 THR A 58 -1.376 9.849 4.470 1.00 0.00 O ATOM 866 CG2 THR A 58 -1.766 8.026 6.005 1.00 0.00 C ATOM 0 H THR A 58 -3.751 10.002 3.071 1.00 0.00 H new ATOM 0 HA THR A 58 -2.303 7.504 3.405 1.00 0.00 H new ATOM 0 HB THR A 58 -3.158 9.557 5.481 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.966 10.346 5.208 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.311 8.605 6.809 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.540 7.379 6.418 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.004 7.416 5.520 1.00 0.00 H new ATOM 874 N TYR A 59 -4.243 6.094 4.059 1.00 0.00 N ATOM 875 CA TYR A 59 -5.312 5.216 4.520 1.00 0.00 C ATOM 876 C TYR A 59 -4.920 4.513 5.816 1.00 0.00 C ATOM 877 O TYR A 59 -3.736 4.365 6.120 1.00 0.00 O ATOM 878 CB TYR A 59 -5.649 4.180 3.447 1.00 0.00 C ATOM 879 CG TYR A 59 -6.249 4.778 2.194 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.438 5.258 1.173 1.00 0.00 C ATOM 881 CD2 TYR A 59 -7.626 4.862 2.032 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.983 5.806 0.028 1.00 0.00 C ATOM 883 CE2 TYR A 59 -8.179 5.407 0.889 1.00 0.00 C ATOM 884 CZ TYR A 59 -7.353 5.878 -0.110 1.00 0.00 C ATOM 885 OH TYR A 59 -7.899 6.422 -1.250 1.00 0.00 O ATOM 0 H TYR A 59 -3.542 5.635 3.477 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.192 5.829 4.713 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.742 3.636 3.182 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.347 3.453 3.862 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.364 5.202 1.276 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.276 4.495 2.813 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.339 6.176 -0.756 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.252 5.464 0.779 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.296 6.268 -2.007 1.00 0.00 H new ATOM 895 N GLU A 60 -5.922 4.082 6.575 1.00 0.00 N ATOM 896 CA GLU A 60 -5.682 3.395 7.839 1.00 0.00 C ATOM 897 C GLU A 60 -6.713 2.292 8.063 1.00 0.00 C ATOM 898 O GLU A 60 -7.915 2.551 8.109 1.00 0.00 O ATOM 899 CB GLU A 60 -5.721 4.389 9.001 1.00 0.00 C ATOM 900 CG GLU A 60 -4.832 5.603 8.794 1.00 0.00 C ATOM 901 CD GLU A 60 -5.204 6.760 9.700 1.00 0.00 C ATOM 902 OE1 GLU A 60 -6.376 7.190 9.663 1.00 0.00 O ATOM 903 OE2 GLU A 60 -4.323 7.237 10.446 1.00 0.00 O ATOM 0 H GLU A 60 -6.907 4.196 6.337 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.693 2.940 7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.748 4.722 9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.417 3.879 9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.794 5.324 8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.899 5.924 7.755 1.00 0.00 H new ATOM 910 N ALA A 61 -6.233 1.061 8.201 1.00 0.00 N ATOM 911 CA ALA A 61 -7.111 -0.082 8.422 1.00 0.00 C ATOM 912 C ALA A 61 -6.507 -1.052 9.432 1.00 0.00 C ATOM 913 O ALA A 61 -5.353 -1.460 9.301 1.00 0.00 O ATOM 914 CB ALA A 61 -7.392 -0.793 7.107 1.00 0.00 C ATOM 0 H ALA A 61 -5.240 0.829 8.164 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.051 0.287 8.831 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.049 -1.644 7.287 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.875 -0.102 6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.454 -1.143 6.675 1.00 0.00 H new ATOM 920 N SER A 62 -7.294 -1.416 10.439 1.00 0.00 N ATOM 921 CA SER A 62 -6.835 -2.335 11.474 1.00 0.00 C ATOM 922 C SER A 62 -7.509 -3.696 11.330 1.00 0.00 C ATOM 923 O SER A 62 -8.430 -3.864 10.532 1.00 0.00 O ATOM 924 CB SER A 62 -7.119 -1.757 12.862 1.00 0.00 C ATOM 925 OG SER A 62 -6.657 -0.421 12.962 1.00 0.00 O ATOM 0 H SER A 62 -8.252 -1.089 10.560 1.00 0.00 H new ATOM 0 HA SER A 62 -5.759 -2.467 11.356 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.190 -1.791 13.061 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.634 -2.371 13.621 1.00 0.00 H new ATOM 0 HG SER A 62 -6.015 -0.351 13.699 1.00 0.00 H new ATOM 931 N GLY A 63 -7.040 -4.667 12.109 1.00 0.00 N ATOM 932 CA GLY A 63 -7.608 -6.001 12.053 1.00 0.00 C ATOM 933 C GLY A 63 -7.070 -6.906 13.144 1.00 0.00 C ATOM 934 O GLY A 63 -6.246 -6.502 13.965 1.00 0.00 O ATOM 0 H GLY A 63 -6.278 -4.553 12.777 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.692 -5.935 12.142 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.394 -6.443 11.080 1.00 0.00 H new ATOM 938 N PRO A 64 -7.542 -8.161 13.163 1.00 0.00 N ATOM 939 CA PRO A 64 -7.118 -9.151 14.157 1.00 0.00 C ATOM 940 C PRO A 64 -5.672 -9.594 13.955 1.00 0.00 C ATOM 941 O PRO A 64 -5.069 -10.200 14.840 1.00 0.00 O ATOM 942 CB PRO A 64 -8.074 -10.323 13.921 1.00 0.00 C ATOM 943 CG PRO A 64 -8.496 -10.187 12.499 1.00 0.00 C ATOM 944 CD PRO A 64 -8.526 -8.711 12.216 1.00 0.00 C ATOM 0 HA PRO A 64 -7.154 -8.751 15.170 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.580 -11.278 14.098 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.930 -10.277 14.594 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.799 -10.698 11.834 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.476 -10.635 12.338 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.254 -8.494 11.183 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.519 -8.291 12.379 1.00 0.00 H new ATOM 952 N SER A 65 -5.123 -9.286 12.784 1.00 0.00 N ATOM 953 CA SER A 65 -3.749 -9.655 12.464 1.00 0.00 C ATOM 954 C SER A 65 -3.121 -8.639 11.515 1.00 0.00 C ATOM 955 O SER A 65 -3.809 -8.021 10.704 1.00 0.00 O ATOM 956 CB SER A 65 -3.706 -11.050 11.838 1.00 0.00 C ATOM 957 OG SER A 65 -3.576 -12.052 12.831 1.00 0.00 O ATOM 0 H SER A 65 -5.608 -8.782 12.042 1.00 0.00 H new ATOM 0 HA SER A 65 -3.175 -9.663 13.391 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.615 -11.221 11.261 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.870 -11.114 11.141 1.00 0.00 H new ATOM 0 HG SER A 65 -3.986 -11.741 13.665 1.00 0.00 H new ATOM 963 N LYS A 66 -1.807 -8.472 11.623 1.00 0.00 N ATOM 964 CA LYS A 66 -1.082 -7.533 10.776 1.00 0.00 C ATOM 965 C LYS A 66 -1.281 -7.866 9.301 1.00 0.00 C ATOM 966 O LYS A 66 -1.575 -6.989 8.489 1.00 0.00 O ATOM 967 CB LYS A 66 0.409 -7.551 11.117 1.00 0.00 C ATOM 968 CG LYS A 66 1.133 -6.266 10.753 1.00 0.00 C ATOM 969 CD LYS A 66 2.635 -6.401 10.936 1.00 0.00 C ATOM 970 CE LYS A 66 3.025 -6.347 12.405 1.00 0.00 C ATOM 971 NZ LYS A 66 4.445 -5.936 12.587 1.00 0.00 N ATOM 0 H LYS A 66 -1.222 -8.976 12.290 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.478 -6.535 10.962 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.526 -7.734 12.185 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.882 -8.384 10.597 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.914 -6.005 9.718 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.762 -5.450 11.373 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.972 -7.343 10.503 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.142 -5.602 10.394 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.374 -5.646 12.928 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.869 -7.326 12.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.672 -5.911 13.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.068 -6.618 12.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.588 -4.991 12.177 1.00 0.00 H new ATOM 985 N LYS A 67 -1.119 -9.140 8.960 1.00 0.00 N ATOM 986 CA LYS A 67 -1.284 -9.592 7.583 1.00 0.00 C ATOM 987 C LYS A 67 -2.608 -9.104 7.005 1.00 0.00 C ATOM 988 O LYS A 67 -2.686 -8.727 5.835 1.00 0.00 O ATOM 989 CB LYS A 67 -1.216 -11.119 7.514 1.00 0.00 C ATOM 990 CG LYS A 67 -2.164 -11.814 8.475 1.00 0.00 C ATOM 991 CD LYS A 67 -2.411 -13.257 8.069 1.00 0.00 C ATOM 992 CE LYS A 67 -3.142 -14.026 9.159 1.00 0.00 C ATOM 993 NZ LYS A 67 -4.464 -13.418 9.475 1.00 0.00 N ATOM 0 H LYS A 67 -0.873 -9.879 9.619 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.472 -9.172 6.989 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.444 -11.439 6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.196 -11.439 7.728 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.749 -11.785 9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.112 -11.276 8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.996 -13.282 7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.460 -13.744 7.855 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.284 -15.059 8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.529 -14.050 10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.504 -13.181 10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.592 -12.553 8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.220 -14.094 9.247 1.00 0.00 H new ATOM 1007 N THR A 68 -3.649 -9.113 7.833 1.00 0.00 N ATOM 1008 CA THR A 68 -4.970 -8.671 7.404 1.00 0.00 C ATOM 1009 C THR A 68 -5.038 -7.151 7.308 1.00 0.00 C ATOM 1010 O THR A 68 -5.431 -6.602 6.280 1.00 0.00 O ATOM 1011 CB THR A 68 -6.067 -9.163 8.367 1.00 0.00 C ATOM 1012 OG1 THR A 68 -5.794 -10.509 8.773 1.00 0.00 O ATOM 1013 CG2 THR A 68 -7.436 -9.094 7.709 1.00 0.00 C ATOM 0 H THR A 68 -3.602 -9.422 8.804 1.00 0.00 H new ATOM 0 HA THR A 68 -5.142 -9.102 6.418 1.00 0.00 H new ATOM 0 HB THR A 68 -6.070 -8.513 9.242 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.495 -10.814 9.386 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.194 -9.446 8.408 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.653 -8.064 7.428 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.444 -9.722 6.818 1.00 0.00 H new ATOM 1021 N ALA A 69 -4.651 -6.477 8.386 1.00 0.00 N ATOM 1022 CA ALA A 69 -4.665 -5.020 8.422 1.00 0.00 C ATOM 1023 C ALA A 69 -4.310 -4.434 7.060 1.00 0.00 C ATOM 1024 O ALA A 69 -5.026 -3.581 6.534 1.00 0.00 O ATOM 1025 CB ALA A 69 -3.704 -4.509 9.485 1.00 0.00 C ATOM 0 H ALA A 69 -4.324 -6.917 9.246 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.675 -4.697 8.675 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.725 -3.419 9.501 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.004 -4.892 10.461 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.694 -4.849 9.256 1.00 0.00 H new ATOM 1031 N LYS A 70 -3.201 -4.896 6.493 1.00 0.00 N ATOM 1032 CA LYS A 70 -2.751 -4.419 5.191 1.00 0.00 C ATOM 1033 C LYS A 70 -3.818 -4.652 4.126 1.00 0.00 C ATOM 1034 O LYS A 70 -4.105 -3.770 3.316 1.00 0.00 O ATOM 1035 CB LYS A 70 -1.452 -5.121 4.788 1.00 0.00 C ATOM 1036 CG LYS A 70 -0.201 -4.411 5.275 1.00 0.00 C ATOM 1037 CD LYS A 70 0.944 -5.387 5.495 1.00 0.00 C ATOM 1038 CE LYS A 70 1.547 -5.844 4.176 1.00 0.00 C ATOM 1039 NZ LYS A 70 2.903 -6.431 4.361 1.00 0.00 N ATOM 0 H LYS A 70 -2.597 -5.601 6.915 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.569 -3.347 5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.460 -6.137 5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.414 -5.202 3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.097 -3.657 4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.418 -3.887 6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.714 -4.914 6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.584 -6.253 6.051 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.892 -6.582 3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.608 -4.998 3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.280 -6.730 3.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.535 -5.719 4.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.842 -7.254 4.994 1.00 0.00 H new ATOM 1053 N LEU A 71 -4.405 -5.844 4.135 1.00 0.00 N ATOM 1054 CA LEU A 71 -5.442 -6.193 3.170 1.00 0.00 C ATOM 1055 C LEU A 71 -6.581 -5.179 3.205 1.00 0.00 C ATOM 1056 O LEU A 71 -7.001 -4.666 2.168 1.00 0.00 O ATOM 1057 CB LEU A 71 -5.983 -7.595 3.459 1.00 0.00 C ATOM 1058 CG LEU A 71 -7.166 -8.047 2.601 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -6.676 -8.721 1.329 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -8.069 -8.983 3.390 1.00 0.00 C ATOM 0 H LEU A 71 -4.181 -6.585 4.799 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.998 -6.179 2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.171 -8.310 3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.282 -7.639 4.506 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.745 -7.167 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.531 -9.036 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.071 -8.019 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.074 -9.592 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.905 -9.295 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.501 -9.860 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.448 -8.466 4.271 1.00 0.00 H new ATOM 1072 N HIS A 72 -7.075 -4.892 4.405 1.00 0.00 N ATOM 1073 CA HIS A 72 -8.164 -3.937 4.576 1.00 0.00 C ATOM 1074 C HIS A 72 -7.806 -2.590 3.955 1.00 0.00 C ATOM 1075 O HIS A 72 -8.563 -2.045 3.151 1.00 0.00 O ATOM 1076 CB HIS A 72 -8.486 -3.758 6.060 1.00 0.00 C ATOM 1077 CG HIS A 72 -9.155 -4.949 6.675 1.00 0.00 C ATOM 1078 ND1 HIS A 72 -9.956 -4.867 7.794 1.00 0.00 N ATOM 1079 CD2 HIS A 72 -9.139 -6.255 6.320 1.00 0.00 C ATOM 1080 CE1 HIS A 72 -10.403 -6.071 8.102 1.00 0.00 C ATOM 1081 NE2 HIS A 72 -9.922 -6.932 7.222 1.00 0.00 N ATOM 0 H HIS A 72 -6.738 -5.307 5.274 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.044 -4.331 4.067 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.563 -3.550 6.601 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.130 -2.887 6.181 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.609 -6.685 5.483 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.051 -6.311 8.932 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.103 -7.936 7.214 1.00 0.00 H new ATOM 1090 N VAL A 73 -6.649 -2.057 4.335 1.00 0.00 N ATOM 1091 CA VAL A 73 -6.191 -0.774 3.815 1.00 0.00 C ATOM 1092 C VAL A 73 -6.397 -0.687 2.307 1.00 0.00 C ATOM 1093 O VAL A 73 -7.083 0.208 1.815 1.00 0.00 O ATOM 1094 CB VAL A 73 -4.703 -0.538 4.134 1.00 0.00 C ATOM 1095 CG1 VAL A 73 -4.149 0.598 3.287 1.00 0.00 C ATOM 1096 CG2 VAL A 73 -4.515 -0.251 5.616 1.00 0.00 C ATOM 0 H VAL A 73 -6.012 -2.494 5.001 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.786 -0.003 4.305 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.149 -1.444 3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.097 0.750 3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.249 0.347 2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.705 1.512 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.458 -0.087 5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.081 0.640 5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.872 -1.100 6.199 1.00 0.00 H new ATOM 1106 N ALA A 74 -5.797 -1.623 1.578 1.00 0.00 N ATOM 1107 CA ALA A 74 -5.916 -1.653 0.126 1.00 0.00 C ATOM 1108 C ALA A 74 -7.360 -1.433 -0.311 1.00 0.00 C ATOM 1109 O ALA A 74 -7.659 -0.498 -1.054 1.00 0.00 O ATOM 1110 CB ALA A 74 -5.394 -2.975 -0.418 1.00 0.00 C ATOM 0 H ALA A 74 -5.224 -2.370 1.970 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.313 -0.841 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.489 -2.984 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.346 -3.093 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.973 -3.796 0.004 1.00 0.00 H new ATOM 1116 N VAL A 75 -8.253 -2.301 0.154 1.00 0.00 N ATOM 1117 CA VAL A 75 -9.667 -2.201 -0.189 1.00 0.00 C ATOM 1118 C VAL A 75 -10.130 -0.748 -0.194 1.00 0.00 C ATOM 1119 O VAL A 75 -10.716 -0.275 -1.168 1.00 0.00 O ATOM 1120 CB VAL A 75 -10.541 -3.003 0.794 1.00 0.00 C ATOM 1121 CG1 VAL A 75 -12.014 -2.848 0.447 1.00 0.00 C ATOM 1122 CG2 VAL A 75 -10.136 -4.469 0.792 1.00 0.00 C ATOM 0 H VAL A 75 -8.022 -3.081 0.769 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.780 -2.619 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.385 -2.608 1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.616 -3.421 1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.292 -1.796 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.190 -3.216 -0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.764 -5.021 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.262 -4.880 -0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.092 -4.558 1.092 1.00 0.00 H new ATOM 1132 N LYS A 76 -9.862 -0.044 0.900 1.00 0.00 N ATOM 1133 CA LYS A 76 -10.248 1.357 1.023 1.00 0.00 C ATOM 1134 C LYS A 76 -9.673 2.182 -0.124 1.00 0.00 C ATOM 1135 O LYS A 76 -10.354 3.040 -0.687 1.00 0.00 O ATOM 1136 CB LYS A 76 -9.772 1.923 2.362 1.00 0.00 C ATOM 1137 CG LYS A 76 -10.647 1.524 3.537 1.00 0.00 C ATOM 1138 CD LYS A 76 -9.870 1.541 4.843 1.00 0.00 C ATOM 1139 CE LYS A 76 -10.773 1.860 6.025 1.00 0.00 C ATOM 1140 NZ LYS A 76 -10.289 1.221 7.280 1.00 0.00 N ATOM 0 H LYS A 76 -9.379 -0.421 1.715 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.336 1.414 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.753 1.585 2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.740 3.011 2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.495 2.205 3.608 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.053 0.527 3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.395 0.572 4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.072 2.281 4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.823 2.940 6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.786 1.519 5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.020 1.303 8.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.088 0.216 7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.421 1.697 7.600 1.00 0.00 H new ATOM 1154 N VAL A 77 -8.417 1.916 -0.467 1.00 0.00 N ATOM 1155 CA VAL A 77 -7.751 2.633 -1.548 1.00 0.00 C ATOM 1156 C VAL A 77 -8.467 2.411 -2.876 1.00 0.00 C ATOM 1157 O VAL A 77 -8.703 3.354 -3.632 1.00 0.00 O ATOM 1158 CB VAL A 77 -6.281 2.196 -1.690 1.00 0.00 C ATOM 1159 CG1 VAL A 77 -5.607 2.951 -2.825 1.00 0.00 C ATOM 1160 CG2 VAL A 77 -5.535 2.405 -0.381 1.00 0.00 C ATOM 0 H VAL A 77 -7.840 1.209 -0.012 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.783 3.692 -1.293 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.257 1.133 -1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.569 2.629 -2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.129 2.745 -3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.639 4.021 -2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.498 2.091 -0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.566 3.460 -0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.006 1.814 0.404 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.809 1.158 -3.155 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.499 0.811 -4.393 1.00 0.00 C ATOM 1172 C LEU A 78 -10.880 1.455 -4.446 1.00 0.00 C ATOM 1173 O LEU A 78 -11.277 2.010 -5.470 1.00 0.00 O ATOM 1174 CB LEU A 78 -9.627 -0.708 -4.519 1.00 0.00 C ATOM 1175 CG LEU A 78 -8.333 -1.507 -4.359 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -8.629 -2.998 -4.310 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.367 -1.190 -5.492 1.00 0.00 C ATOM 0 H LEU A 78 -8.620 0.366 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.910 1.191 -5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.340 -1.056 -3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.053 -0.937 -5.496 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.865 -1.219 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.696 -3.551 -4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.283 -3.212 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.120 -3.302 -5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.452 -1.767 -5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.827 -1.449 -6.446 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.130 -0.126 -5.481 1.00 0.00 H new ATOM 1189 N GLN A 79 -11.606 1.380 -3.335 1.00 0.00 N ATOM 1190 CA GLN A 79 -12.942 1.958 -3.255 1.00 0.00 C ATOM 1191 C GLN A 79 -12.903 3.459 -3.522 1.00 0.00 C ATOM 1192 O GLN A 79 -13.772 4.001 -4.204 1.00 0.00 O ATOM 1193 CB GLN A 79 -13.556 1.689 -1.880 1.00 0.00 C ATOM 1194 CG GLN A 79 -13.916 0.230 -1.649 1.00 0.00 C ATOM 1195 CD GLN A 79 -14.697 0.017 -0.368 1.00 0.00 C ATOM 1196 OE1 GLN A 79 -15.924 -0.089 -0.386 1.00 0.00 O ATOM 1197 NE2 GLN A 79 -13.989 -0.047 0.754 1.00 0.00 N ATOM 0 H GLN A 79 -11.291 0.925 -2.478 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.560 1.487 -4.020 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -12.854 2.008 -1.109 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.453 2.298 -1.766 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -14.503 -0.133 -2.492 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.003 -0.365 -1.616 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.974 0.046 0.722 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -14.461 -0.189 1.647 1.00 0.00 H new ATOM 1206 N ALA A 80 -11.889 4.125 -2.980 1.00 0.00 N ATOM 1207 CA ALA A 80 -11.735 5.564 -3.161 1.00 0.00 C ATOM 1208 C ALA A 80 -11.626 5.922 -4.640 1.00 0.00 C ATOM 1209 O ALA A 80 -12.312 6.822 -5.122 1.00 0.00 O ATOM 1210 CB ALA A 80 -10.515 6.064 -2.403 1.00 0.00 C ATOM 0 H ALA A 80 -11.161 3.691 -2.412 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.623 6.053 -2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.413 7.140 -2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.634 5.850 -1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.623 5.561 -2.777 1.00 0.00 H new ATOM 1216 N MET A 81 -10.758 5.212 -5.353 1.00 0.00 N ATOM 1217 CA MET A 81 -10.559 5.456 -6.777 1.00 0.00 C ATOM 1218 C MET A 81 -11.798 5.060 -7.574 1.00 0.00 C ATOM 1219 O MET A 81 -12.118 5.676 -8.590 1.00 0.00 O ATOM 1220 CB MET A 81 -9.343 4.679 -7.284 1.00 0.00 C ATOM 1221 CG MET A 81 -8.078 4.941 -6.483 1.00 0.00 C ATOM 1222 SD MET A 81 -6.580 4.748 -7.468 1.00 0.00 S ATOM 1223 CE MET A 81 -5.833 3.327 -6.674 1.00 0.00 C ATOM 0 H MET A 81 -10.182 4.464 -4.968 1.00 0.00 H new ATOM 0 HA MET A 81 -10.384 6.523 -6.917 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.566 3.612 -7.257 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.164 4.941 -8.327 1.00 0.00 H new ATOM 0 HG2 MET A 81 -8.113 5.952 -6.076 1.00 0.00 H new ATOM 0 HG3 MET A 81 -8.041 4.257 -5.635 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.877 3.105 -7.149 1.00 0.00 H new ATOM 0 HE2 MET A 81 -5.672 3.543 -5.618 1.00 0.00 H new ATOM 0 HE3 MET A 81 -6.495 2.466 -6.771 1.00 0.00 H new ATOM 1233 N GLY A 82 -12.493 4.027 -7.106 1.00 0.00 N ATOM 1234 CA GLY A 82 -13.689 3.567 -7.788 1.00 0.00 C ATOM 1235 C GLY A 82 -13.500 2.211 -8.438 1.00 0.00 C ATOM 1236 O GLY A 82 -14.057 1.942 -9.503 1.00 0.00 O ATOM 0 H GLY A 82 -12.249 3.501 -6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.512 3.513 -7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.973 4.295 -8.548 1.00 0.00 H new ATOM 1240 N TYR A 83 -12.711 1.355 -7.799 1.00 0.00 N ATOM 1241 CA TYR A 83 -12.446 0.020 -8.323 1.00 0.00 C ATOM 1242 C TYR A 83 -13.402 -1.003 -7.717 1.00 0.00 C ATOM 1243 O TYR A 83 -13.936 -0.819 -6.623 1.00 0.00 O ATOM 1244 CB TYR A 83 -10.999 -0.385 -8.038 1.00 0.00 C ATOM 1245 CG TYR A 83 -10.031 0.022 -9.125 1.00 0.00 C ATOM 1246 CD1 TYR A 83 -9.596 1.337 -9.239 1.00 0.00 C ATOM 1247 CD2 TYR A 83 -9.549 -0.909 -10.038 1.00 0.00 C ATOM 1248 CE1 TYR A 83 -8.712 1.713 -10.232 1.00 0.00 C ATOM 1249 CE2 TYR A 83 -8.664 -0.542 -11.032 1.00 0.00 C ATOM 1250 CZ TYR A 83 -8.248 0.770 -11.126 1.00 0.00 C ATOM 1251 OH TYR A 83 -7.366 1.141 -12.115 1.00 0.00 O ATOM 0 H TYR A 83 -12.243 1.562 -6.916 1.00 0.00 H new ATOM 0 HA TYR A 83 -12.604 0.043 -9.401 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.684 0.064 -7.096 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.952 -1.466 -7.908 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -9.955 2.077 -8.540 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.872 -1.937 -9.968 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.386 2.740 -10.308 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.299 -1.278 -11.733 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.136 0.359 -12.659 1.00 0.00 H new ATOM 1261 N PRO A 84 -13.623 -2.108 -8.444 1.00 0.00 N ATOM 1262 CA PRO A 84 -14.514 -3.184 -7.999 1.00 0.00 C ATOM 1263 C PRO A 84 -13.941 -3.958 -6.816 1.00 0.00 C ATOM 1264 O PRO A 84 -13.034 -4.776 -6.976 1.00 0.00 O ATOM 1265 CB PRO A 84 -14.620 -4.088 -9.229 1.00 0.00 C ATOM 1266 CG PRO A 84 -13.367 -3.837 -9.994 1.00 0.00 C ATOM 1267 CD PRO A 84 -13.020 -2.393 -9.757 1.00 0.00 C ATOM 0 HA PRO A 84 -15.473 -2.802 -7.651 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.706 -5.136 -8.943 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.501 -3.846 -9.823 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -12.565 -4.492 -9.655 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -13.512 -4.034 -11.056 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.941 -2.235 -9.747 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -13.429 -1.749 -10.535 1.00 0.00 H new ATOM 1275 N THR A 85 -14.476 -3.695 -5.628 1.00 0.00 N ATOM 1276 CA THR A 85 -14.018 -4.367 -4.418 1.00 0.00 C ATOM 1277 C THR A 85 -15.101 -5.278 -3.852 1.00 0.00 C ATOM 1278 O THR A 85 -16.288 -5.080 -4.105 1.00 0.00 O ATOM 1279 CB THR A 85 -13.600 -3.352 -3.337 1.00 0.00 C ATOM 1280 OG1 THR A 85 -14.627 -2.370 -3.163 1.00 0.00 O ATOM 1281 CG2 THR A 85 -12.295 -2.668 -3.713 1.00 0.00 C ATOM 0 H THR A 85 -15.227 -3.021 -5.478 1.00 0.00 H new ATOM 0 HA THR A 85 -13.152 -4.967 -4.697 1.00 0.00 H new ATOM 0 HB THR A 85 -13.452 -3.891 -2.401 1.00 0.00 H new ATOM 0 HG1 THR A 85 -14.838 -2.283 -2.210 1.00 0.00 H new ATOM 0 HG21 THR A 85 -12.020 -1.956 -2.935 1.00 0.00 H new ATOM 0 HG22 THR A 85 -11.508 -3.416 -3.815 1.00 0.00 H new ATOM 0 HG23 THR A 85 -12.420 -2.141 -4.659 1.00 0.00 H new ATOM 1289 N GLY A 86 -14.682 -6.280 -3.083 1.00 0.00 N ATOM 1290 CA GLY A 86 -15.630 -7.207 -2.493 1.00 0.00 C ATOM 1291 C GLY A 86 -15.587 -7.193 -0.977 1.00 0.00 C ATOM 1292 O GLY A 86 -15.508 -8.245 -0.342 1.00 0.00 O ATOM 0 H GLY A 86 -13.704 -6.465 -2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.636 -6.955 -2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.419 -8.215 -2.850 1.00 0.00 H new ATOM 1296 N PHE A 87 -15.637 -5.999 -0.397 1.00 0.00 N ATOM 1297 CA PHE A 87 -15.600 -5.852 1.054 1.00 0.00 C ATOM 1298 C PHE A 87 -16.784 -5.025 1.547 1.00 0.00 C ATOM 1299 O PHE A 87 -16.676 -3.812 1.725 1.00 0.00 O ATOM 1300 CB PHE A 87 -14.289 -5.195 1.488 1.00 0.00 C ATOM 1301 CG PHE A 87 -13.110 -6.125 1.446 1.00 0.00 C ATOM 1302 CD1 PHE A 87 -12.735 -6.736 0.261 1.00 0.00 C ATOM 1303 CD2 PHE A 87 -12.375 -6.386 2.592 1.00 0.00 C ATOM 1304 CE1 PHE A 87 -11.651 -7.593 0.219 1.00 0.00 C ATOM 1305 CE2 PHE A 87 -11.290 -7.242 2.556 1.00 0.00 C ATOM 1306 CZ PHE A 87 -10.927 -7.845 1.368 1.00 0.00 C ATOM 0 H PHE A 87 -15.703 -5.119 -0.909 1.00 0.00 H new ATOM 0 HA PHE A 87 -15.664 -6.846 1.497 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.090 -4.339 0.843 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.403 -4.811 2.502 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.296 -6.541 -0.641 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -12.653 -5.915 3.523 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.371 -8.065 -0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -10.727 -7.439 3.456 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.079 -8.512 1.337 1.00 0.00 H new ATOM 1316 N ASP A 88 -17.913 -5.690 1.764 1.00 0.00 N ATOM 1317 CA ASP A 88 -19.118 -5.018 2.236 1.00 0.00 C ATOM 1318 C ASP A 88 -19.530 -5.543 3.608 1.00 0.00 C ATOM 1319 O ASP A 88 -20.555 -5.138 4.156 1.00 0.00 O ATOM 1320 CB ASP A 88 -20.261 -5.212 1.238 1.00 0.00 C ATOM 1321 CG ASP A 88 -20.308 -4.116 0.192 1.00 0.00 C ATOM 1322 OD1 ASP A 88 -20.795 -3.011 0.513 1.00 0.00 O ATOM 1323 OD2 ASP A 88 -19.860 -4.362 -0.947 1.00 0.00 O ATOM 0 H ASP A 88 -18.019 -6.694 1.621 1.00 0.00 H new ATOM 0 HA ASP A 88 -18.900 -3.954 2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -20.148 -6.177 0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -21.209 -5.238 1.776 1.00 0.00 H new ATOM 1328 N ALA A 89 -18.725 -6.447 4.157 1.00 0.00 N ATOM 1329 CA ALA A 89 -19.006 -7.025 5.465 1.00 0.00 C ATOM 1330 C ALA A 89 -20.310 -7.815 5.447 1.00 0.00 C ATOM 1331 O ALA A 89 -21.063 -7.809 6.421 1.00 0.00 O ATOM 1332 CB ALA A 89 -19.061 -5.934 6.524 1.00 0.00 C ATOM 0 H ALA A 89 -17.873 -6.795 3.716 1.00 0.00 H new ATOM 0 HA ALA A 89 -18.198 -7.714 5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -19.272 -6.381 7.496 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -18.103 -5.416 6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -19.848 -5.223 6.273 1.00 0.00 H new ATOM 1338 N ASP A 90 -20.571 -8.493 4.335 1.00 0.00 N ATOM 1339 CA ASP A 90 -21.785 -9.288 4.191 1.00 0.00 C ATOM 1340 C ASP A 90 -21.615 -10.347 3.106 1.00 0.00 C ATOM 1341 O ASP A 90 -21.592 -10.032 1.916 1.00 0.00 O ATOM 1342 CB ASP A 90 -22.974 -8.387 3.859 1.00 0.00 C ATOM 1343 CG ASP A 90 -22.619 -7.302 2.861 1.00 0.00 C ATOM 1344 OD1 ASP A 90 -21.732 -7.542 2.015 1.00 0.00 O ATOM 1345 OD2 ASP A 90 -23.227 -6.214 2.926 1.00 0.00 O ATOM 0 H ASP A 90 -19.958 -8.508 3.520 1.00 0.00 H new ATOM 0 HA ASP A 90 -21.975 -9.791 5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -23.785 -8.994 3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -23.344 -7.927 4.775 1.00 0.00 H new ATOM 1350 N ILE A 91 -21.495 -11.603 3.525 1.00 0.00 N ATOM 1351 CA ILE A 91 -21.328 -12.707 2.589 1.00 0.00 C ATOM 1352 C ILE A 91 -22.671 -13.161 2.028 1.00 0.00 C ATOM 1353 O ILE A 91 -22.919 -14.357 1.872 1.00 0.00 O ATOM 1354 CB ILE A 91 -20.630 -13.908 3.254 1.00 0.00 C ATOM 1355 CG1 ILE A 91 -21.467 -14.427 4.425 1.00 0.00 C ATOM 1356 CG2 ILE A 91 -19.237 -13.518 3.724 1.00 0.00 C ATOM 1357 CD1 ILE A 91 -21.060 -15.806 4.894 1.00 0.00 C ATOM 0 H ILE A 91 -21.510 -11.880 4.506 1.00 0.00 H new ATOM 0 HA ILE A 91 -20.703 -12.338 1.775 1.00 0.00 H new ATOM 0 HB ILE A 91 -20.533 -14.706 2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -21.383 -13.729 5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -22.516 -14.447 4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -18.757 -14.378 4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -18.643 -13.191 2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -19.311 -12.706 4.447 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -21.696 -16.110 5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -21.170 -16.516 4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -20.020 -15.787 5.220 1.00 0.00 H new ATOM 1369 N SER A 92 -23.535 -12.197 1.724 1.00 0.00 N ATOM 1370 CA SER A 92 -24.855 -12.498 1.182 1.00 0.00 C ATOM 1371 C SER A 92 -24.767 -12.844 -0.301 1.00 0.00 C ATOM 1372 O SER A 92 -23.852 -12.408 -0.999 1.00 0.00 O ATOM 1373 CB SER A 92 -25.796 -11.308 1.385 1.00 0.00 C ATOM 1374 OG SER A 92 -25.492 -10.258 0.483 1.00 0.00 O ATOM 0 H SER A 92 -23.345 -11.202 1.844 1.00 0.00 H new ATOM 0 HA SER A 92 -25.252 -13.361 1.716 1.00 0.00 H new ATOM 0 HB2 SER A 92 -26.828 -11.628 1.241 1.00 0.00 H new ATOM 0 HB3 SER A 92 -25.714 -10.946 2.410 1.00 0.00 H new ATOM 0 HG SER A 92 -26.108 -9.510 0.632 1.00 0.00 H new ATOM 1380 N GLY A 93 -25.727 -13.631 -0.777 1.00 0.00 N ATOM 1381 CA GLY A 93 -25.741 -14.023 -2.174 1.00 0.00 C ATOM 1382 C GLY A 93 -27.143 -14.077 -2.748 1.00 0.00 C ATOM 1383 O GLY A 93 -28.072 -13.456 -2.232 1.00 0.00 O ATOM 0 H GLY A 93 -26.496 -14.004 -0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -25.142 -13.319 -2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -25.271 -15.001 -2.278 1.00 0.00 H new ATOM 1387 N PRO A 94 -27.310 -14.834 -3.843 1.00 0.00 N ATOM 1388 CA PRO A 94 -28.605 -14.984 -4.511 1.00 0.00 C ATOM 1389 C PRO A 94 -29.596 -15.794 -3.681 1.00 0.00 C ATOM 1390 O PRO A 94 -29.227 -16.403 -2.677 1.00 0.00 O ATOM 1391 CB PRO A 94 -28.255 -15.730 -5.801 1.00 0.00 C ATOM 1392 CG PRO A 94 -27.000 -16.467 -5.484 1.00 0.00 C ATOM 1393 CD PRO A 94 -26.246 -15.603 -4.511 1.00 0.00 C ATOM 0 HA PRO A 94 -29.091 -14.022 -4.676 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -29.053 -16.413 -6.092 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -28.109 -15.039 -6.631 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -27.219 -17.443 -5.050 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -26.413 -16.643 -6.385 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -25.676 -16.201 -3.800 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -25.537 -14.950 -5.019 1.00 0.00 H new ATOM 1401 N SER A 95 -30.855 -15.796 -4.107 1.00 0.00 N ATOM 1402 CA SER A 95 -31.900 -16.528 -3.400 1.00 0.00 C ATOM 1403 C SER A 95 -32.936 -17.074 -4.377 1.00 0.00 C ATOM 1404 O SER A 95 -32.886 -16.793 -5.575 1.00 0.00 O ATOM 1405 CB SER A 95 -32.579 -15.623 -2.371 1.00 0.00 C ATOM 1406 OG SER A 95 -31.899 -15.662 -1.129 1.00 0.00 O ATOM 0 H SER A 95 -31.176 -15.299 -4.938 1.00 0.00 H new ATOM 0 HA SER A 95 -31.435 -17.368 -2.883 1.00 0.00 H new ATOM 0 HB2 SER A 95 -32.604 -14.599 -2.743 1.00 0.00 H new ATOM 0 HB3 SER A 95 -33.614 -15.937 -2.233 1.00 0.00 H new ATOM 0 HG SER A 95 -30.957 -15.889 -1.279 1.00 0.00 H new ATOM 1412 N SER A 96 -33.876 -17.858 -3.857 1.00 0.00 N ATOM 1413 CA SER A 96 -34.923 -18.447 -4.683 1.00 0.00 C ATOM 1414 C SER A 96 -35.824 -17.366 -5.272 1.00 0.00 C ATOM 1415 O SER A 96 -36.302 -16.485 -4.560 1.00 0.00 O ATOM 1416 CB SER A 96 -35.758 -19.430 -3.860 1.00 0.00 C ATOM 1417 OG SER A 96 -36.320 -20.437 -4.684 1.00 0.00 O ATOM 0 H SER A 96 -33.933 -18.100 -2.868 1.00 0.00 H new ATOM 0 HA SER A 96 -34.446 -18.984 -5.503 1.00 0.00 H new ATOM 0 HB2 SER A 96 -35.134 -19.889 -3.094 1.00 0.00 H new ATOM 0 HB3 SER A 96 -36.553 -18.893 -3.343 1.00 0.00 H new ATOM 0 HG SER A 96 -36.847 -21.053 -4.134 1.00 0.00 H new ATOM 1423 N GLY A 97 -36.051 -17.442 -6.580 1.00 0.00 N ATOM 1424 CA GLY A 97 -36.893 -16.464 -7.245 1.00 0.00 C ATOM 1425 C GLY A 97 -36.204 -15.125 -7.413 1.00 0.00 C ATOM 1426 O GLY A 97 -35.019 -14.987 -7.113 1.00 0.00 O ATOM 0 H GLY A 97 -35.667 -18.163 -7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -37.184 -16.845 -8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -37.810 -16.328 -6.671 1.00 0.00 H new TER 1430 GLY A 97