USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 591 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 76 GLN : amide:sc= -0.99 K(o=-0.54,f=-5.9!) USER MOD Set 1.2: A 78 SER OG : rot 101:sc= 0.454 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 -54:sc= 0.362 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 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 90:sc= -0.0578 USER MOD Single : A 21 ASN : amide:sc= -0.0952 K(o=-0.095,f=-1.5!) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -135:sc= -0.0177 USER MOD Single : A 28 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-1.8!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.174 K(o=-0.17,f=-2.6!) USER MOD Single : A 49 SER OG : rot 180:sc= -1.24 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.56 K(o=-0.56,f=0.16) USER MOD Single : A 71 SER OG : rot -11:sc= 0.995 USER MOD Single : A 73 SER OG : rot 180:sc=-0.00632 USER MOD Single : A 74 LYS NZ :NH3+ -120:sc= -0.3 (180deg=-1.9!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.117 -10.035 10.967 1.00 0.00 N ATOM 2 CA GLY A 1 18.754 -8.817 10.499 1.00 0.00 C ATOM 3 C GLY A 1 17.760 -7.828 9.924 1.00 0.00 C ATOM 4 O GLY A 1 16.767 -7.489 10.568 1.00 0.00 O ATOM 0 H1 GLY A 1 18.838 -10.679 11.351 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.429 -9.803 11.711 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.627 -10.497 10.175 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.290 -8.350 11.325 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.495 -9.067 9.739 1.00 0.00 H new ATOM 8 N SER A 2 18.027 -7.362 8.708 1.00 0.00 N ATOM 9 CA SER A 2 17.152 -6.401 8.047 1.00 0.00 C ATOM 10 C SER A 2 17.288 -6.494 6.531 1.00 0.00 C ATOM 11 O SER A 2 18.164 -7.190 6.017 1.00 0.00 O ATOM 12 CB SER A 2 17.475 -4.981 8.514 1.00 0.00 C ATOM 13 OG SER A 2 18.868 -4.729 8.456 1.00 0.00 O ATOM 0 H SER A 2 18.843 -7.635 8.160 1.00 0.00 H new ATOM 0 HA SER A 2 16.123 -6.639 8.316 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.946 -4.261 7.890 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.119 -4.841 9.535 1.00 0.00 H new ATOM 0 HG SER A 2 19.048 -3.814 8.758 1.00 0.00 H new ATOM 19 N SER A 3 16.416 -5.788 5.820 1.00 0.00 N ATOM 20 CA SER A 3 16.436 -5.792 4.362 1.00 0.00 C ATOM 21 C SER A 3 16.385 -7.219 3.822 1.00 0.00 C ATOM 22 O SER A 3 17.132 -7.577 2.913 1.00 0.00 O ATOM 23 CB SER A 3 17.689 -5.084 3.845 1.00 0.00 C ATOM 24 OG SER A 3 17.631 -4.903 2.441 1.00 0.00 O ATOM 0 H SER A 3 15.686 -5.205 6.230 1.00 0.00 H new ATOM 0 HA SER A 3 15.554 -5.256 4.010 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.792 -4.116 4.335 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.573 -5.668 4.103 1.00 0.00 H new ATOM 0 HG SER A 3 17.465 -5.766 2.007 1.00 0.00 H new ATOM 30 N GLY A 4 15.497 -8.029 4.391 1.00 0.00 N ATOM 31 CA GLY A 4 15.365 -9.407 3.956 1.00 0.00 C ATOM 32 C GLY A 4 14.026 -10.009 4.336 1.00 0.00 C ATOM 33 O GLY A 4 13.961 -11.140 4.818 1.00 0.00 O ATOM 0 H GLY A 4 14.867 -7.755 5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.488 -9.457 2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.165 -10.002 4.396 1.00 0.00 H new ATOM 37 N SER A 5 12.956 -9.251 4.121 1.00 0.00 N ATOM 38 CA SER A 5 11.613 -9.714 4.450 1.00 0.00 C ATOM 39 C SER A 5 10.715 -9.698 3.216 1.00 0.00 C ATOM 40 O SER A 5 9.943 -8.762 3.009 1.00 0.00 O ATOM 41 CB SER A 5 11.004 -8.841 5.549 1.00 0.00 C ATOM 42 OG SER A 5 11.541 -9.170 6.818 1.00 0.00 O ATOM 0 H SER A 5 12.993 -8.314 3.720 1.00 0.00 H new ATOM 0 HA SER A 5 11.688 -10.740 4.811 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.195 -7.790 5.331 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.922 -8.972 5.564 1.00 0.00 H new ATOM 0 HG SER A 5 11.137 -8.597 7.503 1.00 0.00 H new ATOM 48 N SER A 6 10.824 -10.741 2.400 1.00 0.00 N ATOM 49 CA SER A 6 10.026 -10.846 1.184 1.00 0.00 C ATOM 50 C SER A 6 8.586 -10.412 1.440 1.00 0.00 C ATOM 51 O SER A 6 7.875 -11.019 2.239 1.00 0.00 O ATOM 52 CB SER A 6 10.051 -12.282 0.655 1.00 0.00 C ATOM 53 OG SER A 6 9.124 -12.451 -0.404 1.00 0.00 O ATOM 0 H SER A 6 11.457 -11.525 2.559 1.00 0.00 H new ATOM 0 HA SER A 6 10.460 -10.183 0.436 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.054 -12.527 0.307 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.815 -12.975 1.463 1.00 0.00 H new ATOM 0 HG SER A 6 9.160 -13.376 -0.726 1.00 0.00 H new ATOM 59 N GLY A 7 8.163 -9.354 0.754 1.00 0.00 N ATOM 60 CA GLY A 7 6.810 -8.855 0.920 1.00 0.00 C ATOM 61 C GLY A 7 6.610 -7.498 0.275 1.00 0.00 C ATOM 62 O GLY A 7 6.868 -6.465 0.894 1.00 0.00 O ATOM 0 H GLY A 7 8.733 -8.834 0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.108 -9.567 0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.579 -8.786 1.983 1.00 0.00 H new ATOM 66 N SER A 8 6.150 -7.498 -0.972 1.00 0.00 N ATOM 67 CA SER A 8 5.921 -6.258 -1.703 1.00 0.00 C ATOM 68 C SER A 8 4.457 -5.838 -1.615 1.00 0.00 C ATOM 69 O SER A 8 3.556 -6.675 -1.663 1.00 0.00 O ATOM 70 CB SER A 8 6.330 -6.421 -3.168 1.00 0.00 C ATOM 71 OG SER A 8 5.605 -7.471 -3.785 1.00 0.00 O ATOM 0 H SER A 8 5.929 -8.344 -1.497 1.00 0.00 H new ATOM 0 HA SER A 8 6.532 -5.479 -1.248 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.153 -5.489 -3.704 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.399 -6.627 -3.230 1.00 0.00 H new ATOM 0 HG SER A 8 5.883 -7.554 -4.721 1.00 0.00 H new ATOM 77 N GLY A 9 4.227 -4.535 -1.487 1.00 0.00 N ATOM 78 CA GLY A 9 2.871 -4.026 -1.395 1.00 0.00 C ATOM 79 C GLY A 9 2.812 -2.645 -0.773 1.00 0.00 C ATOM 80 O GLY A 9 2.977 -2.494 0.438 1.00 0.00 O ATOM 0 H GLY A 9 4.956 -3.823 -1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.431 -3.992 -2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.267 -4.714 -0.803 1.00 0.00 H new ATOM 84 N TYR A 10 2.576 -1.634 -1.602 1.00 0.00 N ATOM 85 CA TYR A 10 2.499 -0.258 -1.127 1.00 0.00 C ATOM 86 C TYR A 10 1.260 0.441 -1.679 1.00 0.00 C ATOM 87 O TYR A 10 1.060 0.509 -2.892 1.00 0.00 O ATOM 88 CB TYR A 10 3.756 0.514 -1.532 1.00 0.00 C ATOM 89 CG TYR A 10 4.892 0.384 -0.542 1.00 0.00 C ATOM 90 CD1 TYR A 10 5.587 -0.811 -0.405 1.00 0.00 C ATOM 91 CD2 TYR A 10 5.269 1.456 0.257 1.00 0.00 C ATOM 92 CE1 TYR A 10 6.624 -0.935 0.498 1.00 0.00 C ATOM 93 CE2 TYR A 10 6.306 1.342 1.163 1.00 0.00 C ATOM 94 CZ TYR A 10 6.981 0.144 1.280 1.00 0.00 C ATOM 95 OH TYR A 10 8.013 0.026 2.181 1.00 0.00 O ATOM 0 H TYR A 10 2.435 -1.742 -2.606 1.00 0.00 H new ATOM 0 HA TYR A 10 2.428 -0.279 -0.040 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.092 0.159 -2.506 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.504 1.568 -1.646 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.311 -1.658 -1.016 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.742 2.395 0.169 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.153 -1.872 0.592 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.587 2.186 1.776 1.00 0.00 H new ATOM 0 HH TYR A 10 8.136 0.877 2.651 1.00 0.00 H new ATOM 105 N VAL A 11 0.431 0.959 -0.779 1.00 0.00 N ATOM 106 CA VAL A 11 -0.788 1.654 -1.174 1.00 0.00 C ATOM 107 C VAL A 11 -0.712 3.137 -0.828 1.00 0.00 C ATOM 108 O VAL A 11 -0.105 3.521 0.172 1.00 0.00 O ATOM 109 CB VAL A 11 -2.028 1.043 -0.494 1.00 0.00 C ATOM 110 CG1 VAL A 11 -2.194 -0.415 -0.895 1.00 0.00 C ATOM 111 CG2 VAL A 11 -1.928 1.180 1.018 1.00 0.00 C ATOM 0 H VAL A 11 0.581 0.911 0.229 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.881 1.540 -2.254 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.910 1.589 -0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.075 -0.829 -0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.314 -0.484 -1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.312 -0.978 -0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.812 0.743 1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.038 0.660 1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.862 2.235 1.284 1.00 0.00 H new ATOM 121 N ILE A 12 -1.331 3.966 -1.662 1.00 0.00 N ATOM 122 CA ILE A 12 -1.334 5.407 -1.444 1.00 0.00 C ATOM 123 C ILE A 12 -2.714 5.895 -1.017 1.00 0.00 C ATOM 124 O ILE A 12 -3.721 5.229 -1.257 1.00 0.00 O ATOM 125 CB ILE A 12 -0.901 6.169 -2.710 1.00 0.00 C ATOM 126 CG1 ILE A 12 -0.658 7.644 -2.386 1.00 0.00 C ATOM 127 CG2 ILE A 12 -1.953 6.027 -3.800 1.00 0.00 C ATOM 128 CD1 ILE A 12 0.158 8.367 -3.435 1.00 0.00 C ATOM 0 H ILE A 12 -1.837 3.664 -2.495 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.618 5.607 -0.647 1.00 0.00 H new ATOM 0 HB ILE A 12 0.032 5.738 -3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.619 8.146 -2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.147 7.717 -1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.632 6.571 -4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.081 4.973 -4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.900 6.435 -3.447 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.291 9.408 -3.139 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.133 7.890 -3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.361 8.325 -4.392 1.00 0.00 H new ATOM 140 N ALA A 13 -2.754 7.064 -0.386 1.00 0.00 N ATOM 141 CA ALA A 13 -4.011 7.644 0.071 1.00 0.00 C ATOM 142 C ALA A 13 -4.706 8.403 -1.055 1.00 0.00 C ATOM 143 O ALA A 13 -4.088 9.216 -1.743 1.00 0.00 O ATOM 144 CB ALA A 13 -3.767 8.563 1.258 1.00 0.00 C ATOM 0 H ALA A 13 -1.930 7.628 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.666 6.831 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.714 8.989 1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.321 7.994 2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.091 9.366 0.964 1.00 0.00 H new ATOM 150 N LEU A 14 -5.993 8.131 -1.238 1.00 0.00 N ATOM 151 CA LEU A 14 -6.773 8.788 -2.281 1.00 0.00 C ATOM 152 C LEU A 14 -7.404 10.075 -1.760 1.00 0.00 C ATOM 153 O LEU A 14 -7.451 11.085 -2.463 1.00 0.00 O ATOM 154 CB LEU A 14 -7.860 7.847 -2.802 1.00 0.00 C ATOM 155 CG LEU A 14 -7.372 6.572 -3.490 1.00 0.00 C ATOM 156 CD1 LEU A 14 -8.414 5.470 -3.374 1.00 0.00 C ATOM 157 CD2 LEU A 14 -7.043 6.846 -4.950 1.00 0.00 C ATOM 0 H LEU A 14 -6.519 7.460 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.099 9.042 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.498 7.563 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.484 8.399 -3.505 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.463 6.238 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.049 4.570 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.600 5.255 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.341 5.794 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.697 5.927 -5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.935 7.205 -5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.260 7.602 -5.011 1.00 0.00 H new ATOM 169 N ARG A 15 -7.888 10.032 -0.523 1.00 0.00 N ATOM 170 CA ARG A 15 -8.516 11.195 0.093 1.00 0.00 C ATOM 171 C ARG A 15 -7.912 11.476 1.465 1.00 0.00 C ATOM 172 O ARG A 15 -7.296 10.601 2.074 1.00 0.00 O ATOM 173 CB ARG A 15 -10.025 10.977 0.222 1.00 0.00 C ATOM 174 CG ARG A 15 -10.400 9.591 0.719 1.00 0.00 C ATOM 175 CD ARG A 15 -11.761 9.592 1.397 1.00 0.00 C ATOM 176 NE ARG A 15 -12.855 9.578 0.429 1.00 0.00 N ATOM 177 CZ ARG A 15 -14.131 9.424 0.764 1.00 0.00 C ATOM 178 NH1 ARG A 15 -14.472 9.272 2.036 1.00 0.00 N ATOM 179 NH2 ARG A 15 -15.069 9.423 -0.174 1.00 0.00 N ATOM 0 H ARG A 15 -7.857 9.204 0.072 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.334 12.058 -0.548 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -10.434 11.722 0.905 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.492 11.144 -0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.410 8.893 -0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.643 9.237 1.420 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.842 8.722 2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.849 10.474 2.031 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.626 9.693 -0.558 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.754 9.273 2.760 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.453 9.154 2.291 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.811 9.541 -1.154 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -16.049 9.305 0.084 1.00 0.00 H new ATOM 193 N SER A 16 -8.093 12.702 1.946 1.00 0.00 N ATOM 194 CA SER A 16 -7.562 13.099 3.245 1.00 0.00 C ATOM 195 C SER A 16 -8.400 12.512 4.377 1.00 0.00 C ATOM 196 O SER A 16 -9.523 12.951 4.625 1.00 0.00 O ATOM 197 CB SER A 16 -7.526 14.624 3.360 1.00 0.00 C ATOM 198 OG SER A 16 -6.732 15.194 2.334 1.00 0.00 O ATOM 0 H SER A 16 -8.603 13.437 1.456 1.00 0.00 H new ATOM 0 HA SER A 16 -6.547 12.711 3.329 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.540 15.020 3.302 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.127 14.909 4.334 1.00 0.00 H new ATOM 0 HG SER A 16 -6.726 16.169 2.428 1.00 0.00 H new ATOM 204 N TYR A 17 -7.845 11.517 5.060 1.00 0.00 N ATOM 205 CA TYR A 17 -8.541 10.868 6.165 1.00 0.00 C ATOM 206 C TYR A 17 -8.079 11.430 7.506 1.00 0.00 C ATOM 207 O TYR A 17 -7.269 10.817 8.202 1.00 0.00 O ATOM 208 CB TYR A 17 -8.306 9.357 6.124 1.00 0.00 C ATOM 209 CG TYR A 17 -9.373 8.559 6.839 1.00 0.00 C ATOM 210 CD1 TYR A 17 -10.590 8.285 6.227 1.00 0.00 C ATOM 211 CD2 TYR A 17 -9.165 8.079 8.126 1.00 0.00 C ATOM 212 CE1 TYR A 17 -11.569 7.557 6.876 1.00 0.00 C ATOM 213 CE2 TYR A 17 -10.137 7.349 8.783 1.00 0.00 C ATOM 214 CZ TYR A 17 -11.337 7.091 8.154 1.00 0.00 C ATOM 215 OH TYR A 17 -12.308 6.365 8.805 1.00 0.00 O ATOM 0 H TYR A 17 -6.916 11.142 4.868 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.607 11.067 6.057 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -8.258 9.033 5.084 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.337 9.136 6.572 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.774 8.647 5.226 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.227 8.280 8.622 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.510 7.354 6.386 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.958 6.983 9.783 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.985 6.111 9.695 1.00 0.00 H new ATOM 225 N ILE A 18 -8.602 12.599 7.861 1.00 0.00 N ATOM 226 CA ILE A 18 -8.245 13.243 9.119 1.00 0.00 C ATOM 227 C ILE A 18 -9.094 12.712 10.269 1.00 0.00 C ATOM 228 O ILE A 18 -10.323 12.785 10.234 1.00 0.00 O ATOM 229 CB ILE A 18 -8.414 14.772 9.035 1.00 0.00 C ATOM 230 CG1 ILE A 18 -7.469 15.354 7.982 1.00 0.00 C ATOM 231 CG2 ILE A 18 -8.158 15.408 10.394 1.00 0.00 C ATOM 232 CD1 ILE A 18 -6.005 15.174 8.318 1.00 0.00 C ATOM 0 H ILE A 18 -9.274 13.119 7.296 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.197 13.010 9.307 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.439 14.994 8.738 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.674 14.882 7.021 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.679 16.417 7.865 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.281 16.488 10.319 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.867 15.012 11.121 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.142 15.180 10.717 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.394 15.610 7.528 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.785 15.671 9.263 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.780 14.111 8.406 1.00 0.00 H new ATOM 244 N THR A 19 -8.430 12.177 11.289 1.00 0.00 N ATOM 245 CA THR A 19 -9.122 11.634 12.451 1.00 0.00 C ATOM 246 C THR A 19 -8.437 12.055 13.746 1.00 0.00 C ATOM 247 O THR A 19 -7.209 12.093 13.826 1.00 0.00 O ATOM 248 CB THR A 19 -9.190 10.096 12.396 1.00 0.00 C ATOM 249 OG1 THR A 19 -9.658 9.581 13.647 1.00 0.00 O ATOM 250 CG2 THR A 19 -7.824 9.505 12.077 1.00 0.00 C ATOM 0 H THR A 19 -7.413 12.108 11.334 1.00 0.00 H new ATOM 0 HA THR A 19 -10.135 12.036 12.432 1.00 0.00 H new ATOM 0 HB THR A 19 -9.885 9.813 11.605 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.636 9.514 13.628 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.897 8.418 12.043 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.484 9.876 11.110 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.112 9.797 12.849 1.00 0.00 H new ATOM 258 N ASP A 20 -9.238 12.370 14.758 1.00 0.00 N ATOM 259 CA ASP A 20 -8.709 12.787 16.051 1.00 0.00 C ATOM 260 C ASP A 20 -8.647 11.609 17.018 1.00 0.00 C ATOM 261 O ASP A 20 -8.872 11.766 18.217 1.00 0.00 O ATOM 262 CB ASP A 20 -9.570 13.904 16.642 1.00 0.00 C ATOM 263 CG ASP A 20 -9.392 15.221 15.912 1.00 0.00 C ATOM 264 OD1 ASP A 20 -9.201 15.193 14.678 1.00 0.00 O ATOM 265 OD2 ASP A 20 -9.443 16.278 16.574 1.00 0.00 O ATOM 0 H ASP A 20 -10.256 12.344 14.708 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.697 13.162 15.898 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.619 13.609 16.603 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.315 14.037 17.693 1.00 0.00 H new ATOM 270 N ASN A 21 -8.341 10.430 16.487 1.00 0.00 N ATOM 271 CA ASN A 21 -8.251 9.224 17.303 1.00 0.00 C ATOM 272 C ASN A 21 -6.882 8.568 17.155 1.00 0.00 C ATOM 273 O ASN A 21 -6.186 8.779 16.162 1.00 0.00 O ATOM 274 CB ASN A 21 -9.349 8.234 16.910 1.00 0.00 C ATOM 275 CG ASN A 21 -10.695 8.594 17.511 1.00 0.00 C ATOM 276 OD1 ASN A 21 -10.767 9.212 18.573 1.00 0.00 O ATOM 277 ND2 ASN A 21 -11.768 8.207 16.832 1.00 0.00 N ATOM 0 H ASN A 21 -8.151 10.284 15.496 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.386 9.510 18.346 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.436 8.204 15.824 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.065 7.233 17.235 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.700 8.420 17.187 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.660 7.697 15.955 1.00 0.00 H new ATOM 284 N CYS A 22 -6.503 7.772 18.149 1.00 0.00 N ATOM 285 CA CYS A 22 -5.217 7.084 18.130 1.00 0.00 C ATOM 286 C CYS A 22 -5.297 5.804 17.305 1.00 0.00 C ATOM 287 O CYS A 22 -4.559 5.631 16.335 1.00 0.00 O ATOM 288 CB CYS A 22 -4.768 6.759 19.555 1.00 0.00 C ATOM 289 SG CYS A 22 -4.628 8.204 20.633 1.00 0.00 S ATOM 0 H CYS A 22 -7.068 7.587 18.978 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.485 7.747 17.668 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.476 6.057 19.996 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.803 6.255 19.514 1.00 0.00 H new ATOM 0 HG CYS A 22 -4.245 7.827 21.817 1.00 0.00 H new ATOM 295 N SER A 23 -6.197 4.908 17.698 1.00 0.00 N ATOM 296 CA SER A 23 -6.370 3.640 16.998 1.00 0.00 C ATOM 297 C SER A 23 -6.323 3.844 15.487 1.00 0.00 C ATOM 298 O SER A 23 -5.629 3.119 14.772 1.00 0.00 O ATOM 299 CB SER A 23 -7.697 2.991 17.395 1.00 0.00 C ATOM 300 OG SER A 23 -7.759 1.645 16.956 1.00 0.00 O ATOM 0 H SER A 23 -6.818 5.037 18.497 1.00 0.00 H new ATOM 0 HA SER A 23 -5.551 2.980 17.284 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.814 3.029 18.478 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.524 3.555 16.965 1.00 0.00 H new ATOM 0 HG SER A 23 -8.616 1.253 17.224 1.00 0.00 H new ATOM 306 N LEU A 24 -7.066 4.834 15.006 1.00 0.00 N ATOM 307 CA LEU A 24 -7.110 5.135 13.579 1.00 0.00 C ATOM 308 C LEU A 24 -5.856 5.885 13.141 1.00 0.00 C ATOM 309 O LEU A 24 -5.095 6.382 13.973 1.00 0.00 O ATOM 310 CB LEU A 24 -8.354 5.962 13.250 1.00 0.00 C ATOM 311 CG LEU A 24 -9.685 5.399 13.749 1.00 0.00 C ATOM 312 CD1 LEU A 24 -10.788 6.437 13.613 1.00 0.00 C ATOM 313 CD2 LEU A 24 -10.047 4.131 12.990 1.00 0.00 C ATOM 0 H LEU A 24 -7.647 5.442 15.583 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.155 4.191 13.035 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.224 6.960 13.670 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.414 6.077 12.168 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.578 5.148 14.804 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.728 6.018 13.973 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.534 7.318 14.203 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.894 6.720 12.566 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.997 3.745 13.359 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.135 4.356 11.927 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.269 3.383 13.140 1.00 0.00 H new ATOM 325 N LEU A 25 -5.648 5.967 11.832 1.00 0.00 N ATOM 326 CA LEU A 25 -4.488 6.659 11.283 1.00 0.00 C ATOM 327 C LEU A 25 -4.881 8.025 10.728 1.00 0.00 C ATOM 328 O LEU A 25 -5.993 8.208 10.233 1.00 0.00 O ATOM 329 CB LEU A 25 -3.839 5.817 10.183 1.00 0.00 C ATOM 330 CG LEU A 25 -2.553 6.379 9.577 1.00 0.00 C ATOM 331 CD1 LEU A 25 -1.476 6.516 10.642 1.00 0.00 C ATOM 332 CD2 LEU A 25 -2.070 5.495 8.437 1.00 0.00 C ATOM 0 H LEU A 25 -6.268 5.562 11.130 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.770 6.807 12.089 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.624 4.829 10.589 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.565 5.681 9.382 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.766 7.370 9.176 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.568 6.917 10.192 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.822 7.191 11.425 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.265 5.538 11.074 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.154 5.910 8.018 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.874 4.491 8.813 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.835 5.450 7.662 1.00 0.00 H new ATOM 344 N SER A 26 -3.960 8.979 10.811 1.00 0.00 N ATOM 345 CA SER A 26 -4.210 10.329 10.319 1.00 0.00 C ATOM 346 C SER A 26 -3.217 10.700 9.222 1.00 0.00 C ATOM 347 O SER A 26 -2.082 11.089 9.502 1.00 0.00 O ATOM 348 CB SER A 26 -4.123 11.337 11.465 1.00 0.00 C ATOM 349 OG SER A 26 -5.229 11.210 12.342 1.00 0.00 O ATOM 0 H SER A 26 -3.033 8.842 11.214 1.00 0.00 H new ATOM 0 HA SER A 26 -5.215 10.355 9.898 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.197 11.184 12.019 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.089 12.349 11.061 1.00 0.00 H new ATOM 0 HG SER A 26 -5.583 12.099 12.552 1.00 0.00 H new ATOM 355 N PHE A 27 -3.651 10.578 7.972 1.00 0.00 N ATOM 356 CA PHE A 27 -2.800 10.899 6.833 1.00 0.00 C ATOM 357 C PHE A 27 -3.534 11.799 5.843 1.00 0.00 C ATOM 358 O PHE A 27 -4.700 12.141 6.044 1.00 0.00 O ATOM 359 CB PHE A 27 -2.344 9.618 6.132 1.00 0.00 C ATOM 360 CG PHE A 27 -3.477 8.795 5.589 1.00 0.00 C ATOM 361 CD1 PHE A 27 -4.166 9.202 4.458 1.00 0.00 C ATOM 362 CD2 PHE A 27 -3.854 7.615 6.210 1.00 0.00 C ATOM 363 CE1 PHE A 27 -5.210 8.447 3.957 1.00 0.00 C ATOM 364 CE2 PHE A 27 -4.896 6.856 5.714 1.00 0.00 C ATOM 365 CZ PHE A 27 -5.575 7.272 4.585 1.00 0.00 C ATOM 0 H PHE A 27 -4.587 10.259 7.722 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.925 11.433 7.204 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.672 9.880 5.315 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.771 9.013 6.835 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.884 10.119 3.962 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.327 7.285 7.093 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.740 8.776 3.075 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.180 5.938 6.208 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.389 6.680 4.194 1.00 0.00 H new ATOM 375 N HIS A 28 -2.842 12.181 4.774 1.00 0.00 N ATOM 376 CA HIS A 28 -3.428 13.042 3.752 1.00 0.00 C ATOM 377 C HIS A 28 -3.407 12.358 2.388 1.00 0.00 C ATOM 378 O HIS A 28 -2.810 11.294 2.226 1.00 0.00 O ATOM 379 CB HIS A 28 -2.674 14.370 3.681 1.00 0.00 C ATOM 380 CG HIS A 28 -2.735 15.163 4.950 1.00 0.00 C ATOM 381 ND1 HIS A 28 -1.674 15.268 5.824 1.00 0.00 N ATOM 382 CD2 HIS A 28 -3.739 15.893 5.490 1.00 0.00 C ATOM 383 CE1 HIS A 28 -2.023 16.026 6.848 1.00 0.00 C ATOM 384 NE2 HIS A 28 -3.271 16.419 6.669 1.00 0.00 N ATOM 0 H HIS A 28 -1.876 11.908 4.593 1.00 0.00 H new ATOM 0 HA HIS A 28 -4.465 13.236 4.026 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.630 14.173 3.435 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.085 14.969 2.868 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.724 16.035 5.072 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.395 16.281 7.689 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.801 17.016 7.303 1.00 0.00 H new ATOM 393 N ARG A 29 -4.064 12.975 1.412 1.00 0.00 N ATOM 394 CA ARG A 29 -4.122 12.425 0.063 1.00 0.00 C ATOM 395 C ARG A 29 -2.752 12.481 -0.607 1.00 0.00 C ATOM 396 O ARG A 29 -2.018 13.457 -0.460 1.00 0.00 O ATOM 397 CB ARG A 29 -5.145 13.189 -0.779 1.00 0.00 C ATOM 398 CG ARG A 29 -4.681 14.576 -1.191 1.00 0.00 C ATOM 399 CD ARG A 29 -5.679 15.244 -2.124 1.00 0.00 C ATOM 400 NE ARG A 29 -5.431 14.905 -3.523 1.00 0.00 N ATOM 401 CZ ARG A 29 -5.958 15.571 -4.545 1.00 0.00 C ATOM 402 NH1 ARG A 29 -6.756 16.606 -4.325 1.00 0.00 N ATOM 403 NH2 ARG A 29 -5.685 15.202 -5.790 1.00 0.00 N ATOM 0 H ARG A 29 -4.564 13.856 1.530 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.429 11.382 0.136 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.371 12.610 -1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.073 13.278 -0.215 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.542 15.193 -0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.712 14.505 -1.684 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.690 14.941 -1.851 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.626 16.325 -1.998 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.820 14.114 -3.727 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.967 16.893 -3.369 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.159 17.115 -5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.070 14.407 -5.963 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.090 15.714 -6.574 1.00 0.00 H new ATOM 417 N GLY A 30 -2.416 11.426 -1.343 1.00 0.00 N ATOM 418 CA GLY A 30 -1.135 11.376 -2.024 1.00 0.00 C ATOM 419 C GLY A 30 -0.020 10.879 -1.126 1.00 0.00 C ATOM 420 O GLY A 30 1.126 10.754 -1.558 1.00 0.00 O ATOM 0 H GLY A 30 -3.007 10.606 -1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.215 10.724 -2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.884 12.370 -2.393 1.00 0.00 H new ATOM 424 N ASP A 31 -0.355 10.595 0.128 1.00 0.00 N ATOM 425 CA ASP A 31 0.627 10.110 1.090 1.00 0.00 C ATOM 426 C ASP A 31 0.785 8.596 0.989 1.00 0.00 C ATOM 427 O ASP A 31 -0.199 7.855 1.018 1.00 0.00 O ATOM 428 CB ASP A 31 0.216 10.498 2.511 1.00 0.00 C ATOM 429 CG ASP A 31 1.215 10.031 3.552 1.00 0.00 C ATOM 430 OD1 ASP A 31 2.431 10.092 3.276 1.00 0.00 O ATOM 431 OD2 ASP A 31 0.780 9.604 4.642 1.00 0.00 O ATOM 0 H ASP A 31 -1.299 10.692 0.502 1.00 0.00 H new ATOM 0 HA ASP A 31 1.586 10.574 0.858 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.111 11.581 2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.762 10.070 2.733 1.00 0.00 H new ATOM 436 N LEU A 32 2.028 8.142 0.870 1.00 0.00 N ATOM 437 CA LEU A 32 2.315 6.716 0.763 1.00 0.00 C ATOM 438 C LEU A 32 2.209 6.036 2.124 1.00 0.00 C ATOM 439 O LEU A 32 2.954 6.358 3.050 1.00 0.00 O ATOM 440 CB LEU A 32 3.712 6.499 0.179 1.00 0.00 C ATOM 441 CG LEU A 32 4.133 5.044 -0.030 1.00 0.00 C ATOM 442 CD1 LEU A 32 3.598 4.517 -1.352 1.00 0.00 C ATOM 443 CD2 LEU A 32 5.649 4.915 0.024 1.00 0.00 C ATOM 0 H LEU A 32 2.853 8.741 0.845 1.00 0.00 H new ATOM 0 HA LEU A 32 1.576 6.271 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.767 7.014 -0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.438 6.975 0.838 1.00 0.00 H new ATOM 0 HG LEU A 32 3.708 4.444 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.908 3.480 -1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.509 4.573 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.992 5.120 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.931 3.873 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.094 5.528 -0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.008 5.251 0.997 1.00 0.00 H new ATOM 455 N ILE A 33 1.280 5.092 2.238 1.00 0.00 N ATOM 456 CA ILE A 33 1.080 4.365 3.485 1.00 0.00 C ATOM 457 C ILE A 33 1.761 3.001 3.441 1.00 0.00 C ATOM 458 O ILE A 33 1.504 2.194 2.547 1.00 0.00 O ATOM 459 CB ILE A 33 -0.417 4.169 3.788 1.00 0.00 C ATOM 460 CG1 ILE A 33 -1.118 5.524 3.907 1.00 0.00 C ATOM 461 CG2 ILE A 33 -0.598 3.359 5.063 1.00 0.00 C ATOM 462 CD1 ILE A 33 -2.599 5.467 3.604 1.00 0.00 C ATOM 0 H ILE A 33 0.655 4.813 1.482 1.00 0.00 H new ATOM 0 HA ILE A 33 1.527 4.967 4.277 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.870 3.618 2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.977 5.910 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.643 6.231 3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.661 3.229 5.264 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.129 2.382 4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.133 3.885 5.897 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.030 6.463 3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.748 5.112 2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.087 4.786 4.301 1.00 0.00 H new ATOM 474 N LYS A 34 2.630 2.749 4.414 1.00 0.00 N ATOM 475 CA LYS A 34 3.347 1.481 4.490 1.00 0.00 C ATOM 476 C LYS A 34 2.513 0.426 5.209 1.00 0.00 C ATOM 477 O LYS A 34 1.976 0.675 6.290 1.00 0.00 O ATOM 478 CB LYS A 34 4.683 1.670 5.213 1.00 0.00 C ATOM 479 CG LYS A 34 5.570 0.438 5.183 1.00 0.00 C ATOM 480 CD LYS A 34 6.731 0.562 6.156 1.00 0.00 C ATOM 481 CE LYS A 34 7.230 -0.802 6.606 1.00 0.00 C ATOM 482 NZ LYS A 34 8.596 -0.727 7.193 1.00 0.00 N ATOM 0 H LYS A 34 2.855 3.406 5.161 1.00 0.00 H new ATOM 0 HA LYS A 34 3.536 1.138 3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.218 2.504 4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.490 1.943 6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.979 -0.443 5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.954 0.290 4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.546 1.111 5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.418 1.141 7.025 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.541 -1.216 7.342 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.237 -1.485 5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.900 -1.677 7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.259 -0.356 6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.585 -0.096 8.019 1.00 0.00 H new ATOM 496 N LEU A 35 2.408 -0.752 4.604 1.00 0.00 N ATOM 497 CA LEU A 35 1.640 -1.846 5.188 1.00 0.00 C ATOM 498 C LEU A 35 2.472 -2.610 6.213 1.00 0.00 C ATOM 499 O LEU A 35 3.442 -3.283 5.863 1.00 0.00 O ATOM 500 CB LEU A 35 1.159 -2.799 4.092 1.00 0.00 C ATOM 501 CG LEU A 35 0.133 -2.231 3.111 1.00 0.00 C ATOM 502 CD1 LEU A 35 -0.067 -3.180 1.940 1.00 0.00 C ATOM 503 CD2 LEU A 35 -1.189 -1.966 3.817 1.00 0.00 C ATOM 0 H LEU A 35 2.845 -0.974 3.709 1.00 0.00 H new ATOM 0 HA LEU A 35 0.775 -1.419 5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.027 -3.136 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.728 -3.680 4.568 1.00 0.00 H new ATOM 0 HG LEU A 35 0.512 -1.285 2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.801 -2.759 1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.880 -3.320 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.424 -4.142 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.908 -1.562 3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.574 -2.898 4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.034 -1.248 4.622 1.00 0.00 H new ATOM 515 N LEU A 36 2.086 -2.502 7.479 1.00 0.00 N ATOM 516 CA LEU A 36 2.795 -3.184 8.556 1.00 0.00 C ATOM 517 C LEU A 36 2.344 -4.637 8.670 1.00 0.00 C ATOM 518 O LEU A 36 1.221 -4.994 8.314 1.00 0.00 O ATOM 519 CB LEU A 36 2.563 -2.461 9.884 1.00 0.00 C ATOM 520 CG LEU A 36 3.131 -1.045 9.986 1.00 0.00 C ATOM 521 CD1 LEU A 36 2.393 -0.249 11.051 1.00 0.00 C ATOM 522 CD2 LEU A 36 4.622 -1.088 10.286 1.00 0.00 C ATOM 0 H LEU A 36 1.286 -1.949 7.785 1.00 0.00 H new ATOM 0 HA LEU A 36 3.860 -3.170 8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.489 -2.414 10.066 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.996 -3.063 10.683 1.00 0.00 H new ATOM 0 HG LEU A 36 2.989 -0.547 9.027 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.811 0.756 11.109 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.336 -0.188 10.792 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.502 -0.744 12.016 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.009 -0.071 10.355 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.788 -1.604 11.231 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.139 -1.619 9.487 1.00 0.00 H new ATOM 534 N PRO A 37 3.240 -5.496 9.180 1.00 0.00 N ATOM 535 CA PRO A 37 2.956 -6.924 9.355 1.00 0.00 C ATOM 536 C PRO A 37 1.935 -7.181 10.458 1.00 0.00 C ATOM 537 O PRO A 37 2.280 -7.227 11.639 1.00 0.00 O ATOM 538 CB PRO A 37 4.316 -7.511 9.738 1.00 0.00 C ATOM 539 CG PRO A 37 5.062 -6.374 10.347 1.00 0.00 C ATOM 540 CD PRO A 37 4.597 -5.140 9.625 1.00 0.00 C ATOM 0 HA PRO A 37 2.522 -7.367 8.458 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.207 -8.336 10.443 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.837 -7.904 8.865 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.858 -6.301 11.415 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.138 -6.509 10.236 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.589 -4.270 10.281 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.246 -4.899 8.783 1.00 0.00 H new ATOM 548 N VAL A 38 0.676 -7.348 10.065 1.00 0.00 N ATOM 549 CA VAL A 38 -0.396 -7.602 11.021 1.00 0.00 C ATOM 550 C VAL A 38 -0.961 -9.008 10.851 1.00 0.00 C ATOM 551 O VAL A 38 -0.872 -9.598 9.775 1.00 0.00 O ATOM 552 CB VAL A 38 -1.537 -6.579 10.869 1.00 0.00 C ATOM 553 CG1 VAL A 38 -1.794 -6.280 9.400 1.00 0.00 C ATOM 554 CG2 VAL A 38 -2.801 -7.088 11.547 1.00 0.00 C ATOM 0 H VAL A 38 0.373 -7.312 9.092 1.00 0.00 H new ATOM 0 HA VAL A 38 0.037 -7.506 12.017 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.238 -5.651 11.357 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.603 -5.555 9.312 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.890 -5.871 8.948 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.073 -7.199 8.885 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.598 -6.353 11.430 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.106 -8.029 11.089 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.606 -7.247 12.608 1.00 0.00 H new ATOM 564 N ALA A 39 -1.544 -9.538 11.921 1.00 0.00 N ATOM 565 CA ALA A 39 -2.127 -10.873 11.891 1.00 0.00 C ATOM 566 C ALA A 39 -3.263 -10.954 10.876 1.00 0.00 C ATOM 567 O ALA A 39 -3.161 -11.653 9.868 1.00 0.00 O ATOM 568 CB ALA A 39 -2.624 -11.264 13.274 1.00 0.00 C ATOM 0 H ALA A 39 -1.625 -9.063 12.820 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.350 -11.574 11.585 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.057 -12.264 13.236 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.790 -11.256 13.976 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.382 -10.553 13.603 1.00 0.00 H new ATOM 574 N THR A 40 -4.346 -10.233 11.149 1.00 0.00 N ATOM 575 CA THR A 40 -5.502 -10.225 10.261 1.00 0.00 C ATOM 576 C THR A 40 -6.443 -9.073 10.595 1.00 0.00 C ATOM 577 O THR A 40 -6.667 -8.760 11.765 1.00 0.00 O ATOM 578 CB THR A 40 -6.282 -11.550 10.342 1.00 0.00 C ATOM 579 OG1 THR A 40 -7.370 -11.536 9.411 1.00 0.00 O ATOM 580 CG2 THR A 40 -6.814 -11.780 11.748 1.00 0.00 C ATOM 0 H THR A 40 -4.447 -9.647 11.978 1.00 0.00 H new ATOM 0 HA THR A 40 -5.121 -10.098 9.248 1.00 0.00 H new ATOM 0 HB THR A 40 -5.600 -12.363 10.091 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.860 -12.383 9.468 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.361 -12.722 11.780 1.00 0.00 H new ATOM 0 HG22 THR A 40 -5.981 -11.820 12.450 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.481 -10.963 12.023 1.00 0.00 H new ATOM 588 N LEU A 41 -6.992 -8.445 9.561 1.00 0.00 N ATOM 589 CA LEU A 41 -7.911 -7.327 9.745 1.00 0.00 C ATOM 590 C LEU A 41 -9.230 -7.582 9.023 1.00 0.00 C ATOM 591 O LEU A 41 -9.454 -8.666 8.484 1.00 0.00 O ATOM 592 CB LEU A 41 -7.279 -6.032 9.234 1.00 0.00 C ATOM 593 CG LEU A 41 -5.808 -5.816 9.593 1.00 0.00 C ATOM 594 CD1 LEU A 41 -4.916 -6.721 8.756 1.00 0.00 C ATOM 595 CD2 LEU A 41 -5.421 -4.357 9.401 1.00 0.00 C ATOM 0 H LEU A 41 -6.817 -8.691 8.587 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.115 -7.228 10.811 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.375 -6.008 8.148 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.854 -5.192 9.623 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.668 -6.073 10.643 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.873 -6.554 9.025 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.176 -7.763 8.943 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.059 -6.496 7.699 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.371 -4.222 9.661 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.576 -4.073 8.360 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.038 -3.729 10.044 1.00 0.00 H new ATOM 607 N GLU A 42 -10.099 -6.576 9.014 1.00 0.00 N ATOM 608 CA GLU A 42 -11.395 -6.691 8.356 1.00 0.00 C ATOM 609 C GLU A 42 -11.264 -6.466 6.852 1.00 0.00 C ATOM 610 O GLU A 42 -10.280 -5.906 6.367 1.00 0.00 O ATOM 611 CB GLU A 42 -12.384 -5.686 8.949 1.00 0.00 C ATOM 612 CG GLU A 42 -13.183 -6.236 10.119 1.00 0.00 C ATOM 613 CD GLU A 42 -14.105 -5.201 10.734 1.00 0.00 C ATOM 614 OE1 GLU A 42 -15.252 -5.071 10.259 1.00 0.00 O ATOM 615 OE2 GLU A 42 -13.678 -4.522 11.691 1.00 0.00 O ATOM 0 H GLU A 42 -9.929 -5.672 9.455 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.770 -7.701 8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.838 -4.802 9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.073 -5.364 8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.773 -7.088 9.782 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.497 -6.605 10.881 1.00 0.00 H new ATOM 622 N PRO A 43 -12.278 -6.912 6.097 1.00 0.00 N ATOM 623 CA PRO A 43 -12.300 -6.770 4.638 1.00 0.00 C ATOM 624 C PRO A 43 -12.481 -5.321 4.199 1.00 0.00 C ATOM 625 O PRO A 43 -12.578 -5.031 3.007 1.00 0.00 O ATOM 626 CB PRO A 43 -13.509 -7.611 4.218 1.00 0.00 C ATOM 627 CG PRO A 43 -14.396 -7.622 5.415 1.00 0.00 C ATOM 628 CD PRO A 43 -13.482 -7.588 6.609 1.00 0.00 C ATOM 0 HA PRO A 43 -11.362 -7.089 4.183 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.014 -7.176 3.355 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -13.211 -8.621 3.937 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -15.066 -6.762 5.412 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.022 -8.514 5.428 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.927 -7.041 7.440 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -13.256 -8.591 6.971 1.00 0.00 H new ATOM 636 N GLY A 44 -12.524 -4.414 5.170 1.00 0.00 N ATOM 637 CA GLY A 44 -12.693 -3.006 4.863 1.00 0.00 C ATOM 638 C GLY A 44 -11.785 -2.119 5.692 1.00 0.00 C ATOM 639 O GLY A 44 -12.020 -0.916 5.809 1.00 0.00 O ATOM 0 H GLY A 44 -12.445 -4.629 6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.490 -2.841 3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.731 -2.721 5.036 1.00 0.00 H new ATOM 643 N TRP A 45 -10.748 -2.713 6.270 1.00 0.00 N ATOM 644 CA TRP A 45 -9.803 -1.968 7.094 1.00 0.00 C ATOM 645 C TRP A 45 -8.368 -2.380 6.785 1.00 0.00 C ATOM 646 O TRP A 45 -8.124 -3.472 6.272 1.00 0.00 O ATOM 647 CB TRP A 45 -10.102 -2.191 8.577 1.00 0.00 C ATOM 648 CG TRP A 45 -11.364 -1.525 9.035 1.00 0.00 C ATOM 649 CD1 TRP A 45 -12.639 -1.993 8.885 1.00 0.00 C ATOM 650 CD2 TRP A 45 -11.473 -0.271 9.716 1.00 0.00 C ATOM 651 NE1 TRP A 45 -13.533 -1.104 9.431 1.00 0.00 N ATOM 652 CE2 TRP A 45 -12.843 -0.040 9.948 1.00 0.00 C ATOM 653 CE3 TRP A 45 -10.547 0.679 10.155 1.00 0.00 C ATOM 654 CZ2 TRP A 45 -13.306 1.101 10.598 1.00 0.00 C ATOM 655 CZ3 TRP A 45 -11.008 1.812 10.798 1.00 0.00 C ATOM 656 CH2 TRP A 45 -12.377 2.015 11.016 1.00 0.00 C ATOM 0 H TRP A 45 -10.540 -3.708 6.184 1.00 0.00 H new ATOM 0 HA TRP A 45 -9.915 -0.909 6.863 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -10.174 -3.262 8.769 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.267 -1.817 9.169 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -12.905 -2.925 8.408 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -14.546 -1.218 9.448 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -9.489 0.530 9.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.361 1.259 10.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.301 2.554 11.138 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.706 2.910 11.524 1.00 0.00 H new ATOM 667 N GLN A 46 -7.423 -1.500 7.100 1.00 0.00 N ATOM 668 CA GLN A 46 -6.012 -1.774 6.854 1.00 0.00 C ATOM 669 C GLN A 46 -5.145 -1.212 7.976 1.00 0.00 C ATOM 670 O GLN A 46 -5.532 -0.263 8.658 1.00 0.00 O ATOM 671 CB GLN A 46 -5.581 -1.179 5.513 1.00 0.00 C ATOM 672 CG GLN A 46 -6.188 -1.883 4.311 1.00 0.00 C ATOM 673 CD GLN A 46 -5.464 -3.169 3.961 1.00 0.00 C ATOM 674 OE1 GLN A 46 -5.345 -4.072 4.789 1.00 0.00 O ATOM 675 NE2 GLN A 46 -4.977 -3.258 2.729 1.00 0.00 N ATOM 0 H GLN A 46 -7.609 -0.592 7.526 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.878 -2.855 6.823 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.861 -0.126 5.486 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.494 -1.222 5.438 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -7.236 -2.104 4.515 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.165 -1.212 3.452 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.099 -2.485 2.075 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.481 -4.100 2.436 1.00 0.00 H new ATOM 684 N PHE A 47 -3.970 -1.805 8.163 1.00 0.00 N ATOM 685 CA PHE A 47 -3.048 -1.365 9.203 1.00 0.00 C ATOM 686 C PHE A 47 -1.680 -1.034 8.613 1.00 0.00 C ATOM 687 O PHE A 47 -1.062 -1.864 7.948 1.00 0.00 O ATOM 688 CB PHE A 47 -2.906 -2.444 10.278 1.00 0.00 C ATOM 689 CG PHE A 47 -1.959 -2.069 11.383 1.00 0.00 C ATOM 690 CD1 PHE A 47 -2.334 -1.152 12.352 1.00 0.00 C ATOM 691 CD2 PHE A 47 -0.696 -2.632 11.451 1.00 0.00 C ATOM 692 CE1 PHE A 47 -1.465 -0.805 13.369 1.00 0.00 C ATOM 693 CE2 PHE A 47 0.178 -2.289 12.466 1.00 0.00 C ATOM 694 CZ PHE A 47 -0.208 -1.375 13.427 1.00 0.00 C ATOM 0 H PHE A 47 -3.634 -2.592 7.607 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.456 -0.462 9.657 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.887 -2.651 10.706 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.561 -3.367 9.812 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.316 -0.704 12.312 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.390 -3.348 10.702 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.768 -0.089 14.118 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.161 -2.735 12.507 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.472 -1.106 14.222 1.00 0.00 H new ATOM 704 N GLY A 48 -1.214 0.185 8.863 1.00 0.00 N ATOM 705 CA GLY A 48 0.077 0.605 8.349 1.00 0.00 C ATOM 706 C GLY A 48 0.582 1.871 9.013 1.00 0.00 C ATOM 707 O GLY A 48 -0.100 2.450 9.859 1.00 0.00 O ATOM 0 H GLY A 48 -1.707 0.889 9.412 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.802 -0.195 8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.001 0.768 7.274 1.00 0.00 H new ATOM 711 N SER A 49 1.780 2.301 8.631 1.00 0.00 N ATOM 712 CA SER A 49 2.378 3.504 9.199 1.00 0.00 C ATOM 713 C SER A 49 2.632 4.547 8.116 1.00 0.00 C ATOM 714 O SER A 49 2.995 4.212 6.989 1.00 0.00 O ATOM 715 CB SER A 49 3.688 3.160 9.911 1.00 0.00 C ATOM 716 OG SER A 49 3.460 2.844 11.273 1.00 0.00 O ATOM 0 H SER A 49 2.356 1.834 7.930 1.00 0.00 H new ATOM 0 HA SER A 49 1.678 3.921 9.923 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.165 2.316 9.413 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.376 4.002 9.840 1.00 0.00 H new ATOM 0 HG SER A 49 4.312 2.626 11.705 1.00 0.00 H new ATOM 722 N ALA A 50 2.440 5.815 8.467 1.00 0.00 N ATOM 723 CA ALA A 50 2.651 6.908 7.527 1.00 0.00 C ATOM 724 C ALA A 50 3.118 8.169 8.247 1.00 0.00 C ATOM 725 O ALA A 50 2.437 8.675 9.138 1.00 0.00 O ATOM 726 CB ALA A 50 1.374 7.187 6.747 1.00 0.00 C ATOM 0 H ALA A 50 2.139 6.110 9.396 1.00 0.00 H new ATOM 0 HA ALA A 50 3.433 6.608 6.829 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.546 8.006 6.048 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.083 6.294 6.194 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.578 7.461 7.439 1.00 0.00 H new ATOM 732 N GLY A 51 4.285 8.671 7.855 1.00 0.00 N ATOM 733 CA GLY A 51 4.824 9.868 8.474 1.00 0.00 C ATOM 734 C GLY A 51 5.542 9.574 9.776 1.00 0.00 C ATOM 735 O GLY A 51 6.578 10.169 10.069 1.00 0.00 O ATOM 0 H GLY A 51 4.867 8.270 7.120 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.515 10.351 7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.014 10.573 8.660 1.00 0.00 H new ATOM 739 N GLY A 52 4.991 8.653 10.560 1.00 0.00 N ATOM 740 CA GLY A 52 5.599 8.298 11.829 1.00 0.00 C ATOM 741 C GLY A 52 4.607 7.681 12.795 1.00 0.00 C ATOM 742 O GLY A 52 4.994 6.976 13.727 1.00 0.00 O ATOM 0 H GLY A 52 4.134 8.146 10.339 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.415 7.597 11.654 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.036 9.189 12.281 1.00 0.00 H new ATOM 746 N ARG A 53 3.324 7.946 12.573 1.00 0.00 N ATOM 747 CA ARG A 53 2.274 7.414 13.433 1.00 0.00 C ATOM 748 C ARG A 53 1.575 6.231 12.769 1.00 0.00 C ATOM 749 O ARG A 53 1.457 6.174 11.545 1.00 0.00 O ATOM 750 CB ARG A 53 1.252 8.504 13.761 1.00 0.00 C ATOM 751 CG ARG A 53 -0.104 7.961 14.181 1.00 0.00 C ATOM 752 CD ARG A 53 -0.041 7.301 15.549 1.00 0.00 C ATOM 753 NE ARG A 53 -0.311 8.248 16.628 1.00 0.00 N ATOM 754 CZ ARG A 53 -0.195 7.947 17.916 1.00 0.00 C ATOM 755 NH1 ARG A 53 0.186 6.732 18.285 1.00 0.00 N ATOM 756 NH2 ARG A 53 -0.458 8.863 18.839 1.00 0.00 N ATOM 0 H ARG A 53 2.987 8.526 11.805 1.00 0.00 H new ATOM 0 HA ARG A 53 2.737 7.069 14.358 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.646 9.131 14.561 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.123 9.144 12.888 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.832 8.772 14.201 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.452 7.238 13.443 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.764 6.487 15.592 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.945 6.859 15.693 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.605 9.192 16.378 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.391 6.025 17.579 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.274 6.504 19.275 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.750 9.800 18.559 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.369 8.631 19.828 1.00 0.00 H new ATOM 770 N SER A 54 1.114 5.288 13.585 1.00 0.00 N ATOM 771 CA SER A 54 0.432 4.104 13.077 1.00 0.00 C ATOM 772 C SER A 54 -1.062 4.166 13.381 1.00 0.00 C ATOM 773 O SER A 54 -1.500 4.920 14.249 1.00 0.00 O ATOM 774 CB SER A 54 1.036 2.839 13.689 1.00 0.00 C ATOM 775 OG SER A 54 0.926 2.853 15.102 1.00 0.00 O ATOM 0 H SER A 54 1.201 5.321 14.601 1.00 0.00 H new ATOM 0 HA SER A 54 0.565 4.075 11.996 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.529 1.960 13.290 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.085 2.758 13.404 1.00 0.00 H new ATOM 0 HG SER A 54 1.318 2.033 15.469 1.00 0.00 H new ATOM 781 N GLY A 55 -1.841 3.366 12.659 1.00 0.00 N ATOM 782 CA GLY A 55 -3.277 3.344 12.865 1.00 0.00 C ATOM 783 C GLY A 55 -3.999 2.507 11.828 1.00 0.00 C ATOM 784 O GLY A 55 -3.395 2.055 10.854 1.00 0.00 O ATOM 0 H GLY A 55 -1.503 2.732 11.935 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.492 2.951 13.859 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.661 4.364 12.836 1.00 0.00 H new ATOM 788 N LEU A 56 -5.294 2.298 12.037 1.00 0.00 N ATOM 789 CA LEU A 56 -6.100 1.507 11.113 1.00 0.00 C ATOM 790 C LEU A 56 -6.904 2.409 10.182 1.00 0.00 C ATOM 791 O LEU A 56 -7.685 3.247 10.635 1.00 0.00 O ATOM 792 CB LEU A 56 -7.043 0.585 11.888 1.00 0.00 C ATOM 793 CG LEU A 56 -6.395 -0.629 12.555 1.00 0.00 C ATOM 794 CD1 LEU A 56 -7.224 -1.090 13.744 1.00 0.00 C ATOM 795 CD2 LEU A 56 -6.223 -1.761 11.552 1.00 0.00 C ATOM 0 H LEU A 56 -5.808 2.665 12.838 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.425 0.901 10.508 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.543 1.173 12.657 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.815 0.231 11.205 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.409 -0.338 12.916 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.748 -1.955 14.206 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.296 -0.282 14.473 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.224 -1.364 13.406 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.760 -2.616 12.044 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.198 -2.051 11.160 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.587 -1.427 10.732 1.00 0.00 H new ATOM 807 N PHE A 57 -6.710 2.231 8.880 1.00 0.00 N ATOM 808 CA PHE A 57 -7.418 3.028 7.885 1.00 0.00 C ATOM 809 C PHE A 57 -8.237 2.136 6.957 1.00 0.00 C ATOM 810 O PHE A 57 -7.903 0.977 6.714 1.00 0.00 O ATOM 811 CB PHE A 57 -6.428 3.860 7.069 1.00 0.00 C ATOM 812 CG PHE A 57 -5.417 3.033 6.328 1.00 0.00 C ATOM 813 CD1 PHE A 57 -4.360 2.441 7.000 1.00 0.00 C ATOM 814 CD2 PHE A 57 -5.524 2.846 4.959 1.00 0.00 C ATOM 815 CE1 PHE A 57 -3.428 1.679 6.320 1.00 0.00 C ATOM 816 CE2 PHE A 57 -4.596 2.085 4.274 1.00 0.00 C ATOM 817 CZ PHE A 57 -3.547 1.500 4.956 1.00 0.00 C ATOM 0 H PHE A 57 -6.068 1.542 8.489 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.099 3.698 8.410 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.981 4.470 6.354 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.906 4.546 7.736 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.263 2.576 8.067 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.343 3.301 4.421 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.608 1.224 6.855 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.691 1.948 3.207 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.821 0.904 4.423 1.00 0.00 H new ATOM 827 N PRO A 58 -9.338 2.689 6.425 1.00 0.00 N ATOM 828 CA PRO A 58 -10.228 1.963 5.515 1.00 0.00 C ATOM 829 C PRO A 58 -9.583 1.703 4.157 1.00 0.00 C ATOM 830 O PRO A 58 -8.923 2.577 3.596 1.00 0.00 O ATOM 831 CB PRO A 58 -11.427 2.902 5.366 1.00 0.00 C ATOM 832 CG PRO A 58 -10.882 4.260 5.647 1.00 0.00 C ATOM 833 CD PRO A 58 -9.797 4.067 6.671 1.00 0.00 C ATOM 0 HA PRO A 58 -10.487 0.977 5.900 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.852 2.846 4.364 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.222 2.642 6.065 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.486 4.717 4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.661 4.923 6.024 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.990 4.788 6.543 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.176 4.190 7.686 1.00 0.00 H new ATOM 841 N ALA A 59 -9.780 0.497 3.635 1.00 0.00 N ATOM 842 CA ALA A 59 -9.219 0.124 2.342 1.00 0.00 C ATOM 843 C ALA A 59 -10.113 0.594 1.200 1.00 0.00 C ATOM 844 O ALA A 59 -10.006 0.108 0.074 1.00 0.00 O ATOM 845 CB ALA A 59 -9.015 -1.382 2.270 1.00 0.00 C ATOM 0 H ALA A 59 -10.324 -0.238 4.087 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.252 0.616 2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.596 -1.646 1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.330 -1.695 3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.973 -1.886 2.401 1.00 0.00 H new ATOM 851 N ASP A 60 -10.996 1.542 1.497 1.00 0.00 N ATOM 852 CA ASP A 60 -11.909 2.078 0.495 1.00 0.00 C ATOM 853 C ASP A 60 -11.500 3.490 0.087 1.00 0.00 C ATOM 854 O ASP A 60 -12.174 4.134 -0.718 1.00 0.00 O ATOM 855 CB ASP A 60 -13.342 2.083 1.030 1.00 0.00 C ATOM 856 CG ASP A 60 -13.947 0.694 1.075 1.00 0.00 C ATOM 857 OD1 ASP A 60 -14.366 0.194 0.010 1.00 0.00 O ATOM 858 OD2 ASP A 60 -14.003 0.107 2.176 1.00 0.00 O ATOM 0 H ASP A 60 -11.098 1.955 2.424 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.861 1.437 -0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.351 2.513 2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.959 2.725 0.402 1.00 0.00 H new ATOM 863 N ILE A 61 -10.394 3.966 0.649 1.00 0.00 N ATOM 864 CA ILE A 61 -9.896 5.301 0.344 1.00 0.00 C ATOM 865 C ILE A 61 -8.416 5.266 -0.021 1.00 0.00 C ATOM 866 O ILE A 61 -7.728 6.286 0.030 1.00 0.00 O ATOM 867 CB ILE A 61 -10.098 6.262 1.531 1.00 0.00 C ATOM 868 CG1 ILE A 61 -9.088 5.957 2.640 1.00 0.00 C ATOM 869 CG2 ILE A 61 -11.521 6.159 2.060 1.00 0.00 C ATOM 870 CD1 ILE A 61 -9.210 6.873 3.837 1.00 0.00 C ATOM 0 H ILE A 61 -9.826 3.447 1.318 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.469 5.664 -0.509 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.933 7.282 1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.220 4.926 2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.080 6.036 2.234 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.648 6.844 2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.223 6.420 1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.713 5.139 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.464 6.599 4.583 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.048 7.904 3.524 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.206 6.777 4.269 1.00 0.00 H new ATOM 882 N VAL A 62 -7.932 4.085 -0.392 1.00 0.00 N ATOM 883 CA VAL A 62 -6.533 3.917 -0.769 1.00 0.00 C ATOM 884 C VAL A 62 -6.398 3.004 -1.983 1.00 0.00 C ATOM 885 O VAL A 62 -7.126 2.022 -2.116 1.00 0.00 O ATOM 886 CB VAL A 62 -5.705 3.336 0.392 1.00 0.00 C ATOM 887 CG1 VAL A 62 -5.809 4.226 1.621 1.00 0.00 C ATOM 888 CG2 VAL A 62 -6.156 1.918 0.710 1.00 0.00 C ATOM 0 H VAL A 62 -8.487 3.231 -0.440 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.150 4.907 -1.018 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.659 3.301 0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.217 3.799 2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.433 5.221 1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.851 4.297 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.560 1.523 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.208 1.926 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.023 1.288 -0.170 1.00 0.00 H new ATOM 898 N GLN A 63 -5.460 3.336 -2.864 1.00 0.00 N ATOM 899 CA GLN A 63 -5.229 2.546 -4.067 1.00 0.00 C ATOM 900 C GLN A 63 -3.811 1.985 -4.086 1.00 0.00 C ATOM 901 O GLN A 63 -2.884 2.554 -3.510 1.00 0.00 O ATOM 902 CB GLN A 63 -5.470 3.396 -5.316 1.00 0.00 C ATOM 903 CG GLN A 63 -4.375 4.418 -5.577 1.00 0.00 C ATOM 904 CD GLN A 63 -4.211 4.733 -7.051 1.00 0.00 C ATOM 905 OE1 GLN A 63 -3.474 4.052 -7.765 1.00 0.00 O ATOM 906 NE2 GLN A 63 -4.898 5.770 -7.515 1.00 0.00 N ATOM 0 H GLN A 63 -4.848 4.146 -2.767 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.931 1.712 -4.063 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.556 2.739 -6.181 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.423 3.915 -5.214 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.604 5.336 -5.036 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.431 4.042 -5.182 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.497 6.307 -6.888 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.827 6.030 -8.499 1.00 0.00 H new ATOM 915 N PRO A 64 -3.636 0.841 -4.764 1.00 0.00 N ATOM 916 CA PRO A 64 -2.333 0.177 -4.875 1.00 0.00 C ATOM 917 C PRO A 64 -1.357 0.959 -5.748 1.00 0.00 C ATOM 918 O PRO A 64 -1.748 1.561 -6.747 1.00 0.00 O ATOM 919 CB PRO A 64 -2.673 -1.167 -5.524 1.00 0.00 C ATOM 920 CG PRO A 64 -3.936 -0.916 -6.274 1.00 0.00 C ATOM 921 CD PRO A 64 -4.696 0.107 -5.476 1.00 0.00 C ATOM 0 HA PRO A 64 -1.839 0.085 -3.908 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.876 -1.498 -6.190 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.806 -1.947 -4.774 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.727 -0.550 -7.279 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.514 -1.834 -6.383 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.279 0.766 -6.119 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.395 -0.362 -4.783 1.00 0.00 H new ATOM 929 N ALA A 65 -0.085 0.944 -5.364 1.00 0.00 N ATOM 930 CA ALA A 65 0.948 1.649 -6.114 1.00 0.00 C ATOM 931 C ALA A 65 2.229 0.826 -6.190 1.00 0.00 C ATOM 932 O ALA A 65 2.612 0.165 -5.226 1.00 0.00 O ATOM 933 CB ALA A 65 1.226 3.005 -5.482 1.00 0.00 C ATOM 0 H ALA A 65 0.255 0.452 -4.538 1.00 0.00 H new ATOM 0 HA ALA A 65 0.585 1.802 -7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.999 3.520 -6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.314 3.602 -5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.564 2.865 -4.455 1.00 0.00 H new ATOM 939 N ALA A 66 2.888 0.871 -7.344 1.00 0.00 N ATOM 940 CA ALA A 66 4.127 0.131 -7.546 1.00 0.00 C ATOM 941 C ALA A 66 5.050 0.266 -6.339 1.00 0.00 C ATOM 942 O ALA A 66 5.253 1.364 -5.822 1.00 0.00 O ATOM 943 CB ALA A 66 4.829 0.611 -8.807 1.00 0.00 C ATOM 0 H ALA A 66 2.584 1.413 -8.153 1.00 0.00 H new ATOM 0 HA ALA A 66 3.877 -0.923 -7.663 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.753 0.049 -8.945 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.178 0.456 -9.667 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.060 1.672 -8.713 1.00 0.00 H new ATOM 949 N ALA A 67 5.605 -0.857 -5.896 1.00 0.00 N ATOM 950 CA ALA A 67 6.508 -0.862 -4.751 1.00 0.00 C ATOM 951 C ALA A 67 7.811 -0.140 -5.076 1.00 0.00 C ATOM 952 O ALA A 67 8.305 -0.176 -6.203 1.00 0.00 O ATOM 953 CB ALA A 67 6.790 -2.291 -4.309 1.00 0.00 C ATOM 0 H ALA A 67 5.446 -1.775 -6.312 1.00 0.00 H new ATOM 0 HA ALA A 67 6.022 -0.329 -3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.465 -2.281 -3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.855 -2.776 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.252 -2.841 -5.129 1.00 0.00 H new ATOM 959 N PRO A 68 8.382 0.534 -4.066 1.00 0.00 N ATOM 960 CA PRO A 68 9.635 1.279 -4.220 1.00 0.00 C ATOM 961 C PRO A 68 10.836 0.359 -4.415 1.00 0.00 C ATOM 962 O PRO A 68 11.953 0.821 -4.648 1.00 0.00 O ATOM 963 CB PRO A 68 9.757 2.045 -2.901 1.00 0.00 C ATOM 964 CG PRO A 68 8.979 1.237 -1.920 1.00 0.00 C ATOM 965 CD PRO A 68 7.848 0.621 -2.697 1.00 0.00 C ATOM 0 HA PRO A 68 9.622 1.920 -5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.799 2.143 -2.595 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.354 3.054 -2.990 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.604 0.469 -1.464 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.602 1.862 -1.111 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.581 -0.361 -2.307 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.949 1.236 -2.655 1.00 0.00 H new ATOM 973 N ASP A 69 10.598 -0.944 -4.319 1.00 0.00 N ATOM 974 CA ASP A 69 11.660 -1.930 -4.486 1.00 0.00 C ATOM 975 C ASP A 69 12.318 -1.793 -5.855 1.00 0.00 C ATOM 976 O ASP A 69 11.660 -1.923 -6.888 1.00 0.00 O ATOM 977 CB ASP A 69 11.105 -3.344 -4.312 1.00 0.00 C ATOM 978 CG ASP A 69 12.177 -4.407 -4.443 1.00 0.00 C ATOM 979 OD1 ASP A 69 13.240 -4.260 -3.804 1.00 0.00 O ATOM 980 OD2 ASP A 69 11.954 -5.387 -5.184 1.00 0.00 O ATOM 0 H ASP A 69 9.679 -1.343 -4.126 1.00 0.00 H new ATOM 0 HA ASP A 69 12.414 -1.748 -3.720 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.632 -3.428 -3.333 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.329 -3.521 -5.057 1.00 0.00 H new ATOM 985 N PHE A 70 13.620 -1.527 -5.857 1.00 0.00 N ATOM 986 CA PHE A 70 14.367 -1.370 -7.099 1.00 0.00 C ATOM 987 C PHE A 70 13.830 -2.305 -8.179 1.00 0.00 C ATOM 988 O PHE A 70 13.408 -3.425 -7.891 1.00 0.00 O ATOM 989 CB PHE A 70 15.854 -1.645 -6.864 1.00 0.00 C ATOM 990 CG PHE A 70 16.460 -0.785 -5.792 1.00 0.00 C ATOM 991 CD1 PHE A 70 16.430 -1.184 -4.466 1.00 0.00 C ATOM 992 CD2 PHE A 70 17.060 0.423 -6.111 1.00 0.00 C ATOM 993 CE1 PHE A 70 16.987 -0.396 -3.477 1.00 0.00 C ATOM 994 CE2 PHE A 70 17.619 1.215 -5.127 1.00 0.00 C ATOM 995 CZ PHE A 70 17.582 0.806 -3.808 1.00 0.00 C ATOM 0 H PHE A 70 14.180 -1.416 -5.012 1.00 0.00 H new ATOM 0 HA PHE A 70 14.244 -0.342 -7.439 1.00 0.00 H new ATOM 0 HB2 PHE A 70 15.983 -2.693 -6.594 1.00 0.00 H new ATOM 0 HB3 PHE A 70 16.396 -1.486 -7.796 1.00 0.00 H new ATOM 0 HD1 PHE A 70 15.966 -2.123 -4.202 1.00 0.00 H new ATOM 0 HD2 PHE A 70 17.091 0.749 -7.140 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.957 -0.719 -2.447 1.00 0.00 H new ATOM 0 HE2 PHE A 70 18.085 2.154 -5.389 1.00 0.00 H new ATOM 0 HZ PHE A 70 18.017 1.425 -3.037 1.00 0.00 H new ATOM 1005 N SER A 71 13.848 -1.836 -9.422 1.00 0.00 N ATOM 1006 CA SER A 71 13.359 -2.627 -10.545 1.00 0.00 C ATOM 1007 C SER A 71 13.913 -2.099 -11.865 1.00 0.00 C ATOM 1008 O SER A 71 14.042 -0.890 -12.057 1.00 0.00 O ATOM 1009 CB SER A 71 11.829 -2.613 -10.579 1.00 0.00 C ATOM 1010 OG SER A 71 11.287 -3.243 -9.432 1.00 0.00 O ATOM 0 H SER A 71 14.196 -0.912 -9.677 1.00 0.00 H new ATOM 0 HA SER A 71 13.703 -3.653 -10.411 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.473 -1.584 -10.635 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.478 -3.121 -11.477 1.00 0.00 H new ATOM 0 HG SER A 71 12.000 -3.710 -8.948 1.00 0.00 H new ATOM 1016 N PHE A 72 14.240 -3.014 -12.771 1.00 0.00 N ATOM 1017 CA PHE A 72 14.781 -2.642 -14.073 1.00 0.00 C ATOM 1018 C PHE A 72 13.972 -1.508 -14.695 1.00 0.00 C ATOM 1019 O PHE A 72 12.916 -1.133 -14.185 1.00 0.00 O ATOM 1020 CB PHE A 72 14.790 -3.852 -15.010 1.00 0.00 C ATOM 1021 CG PHE A 72 13.441 -4.490 -15.177 1.00 0.00 C ATOM 1022 CD1 PHE A 72 12.401 -3.795 -15.774 1.00 0.00 C ATOM 1023 CD2 PHE A 72 13.212 -5.784 -14.739 1.00 0.00 C ATOM 1024 CE1 PHE A 72 11.158 -4.380 -15.929 1.00 0.00 C ATOM 1025 CE2 PHE A 72 11.972 -6.374 -14.891 1.00 0.00 C ATOM 1026 CZ PHE A 72 10.943 -5.671 -15.488 1.00 0.00 C ATOM 0 H PHE A 72 14.140 -4.019 -12.628 1.00 0.00 H new ATOM 0 HA PHE A 72 15.804 -2.296 -13.928 1.00 0.00 H new ATOM 0 HB2 PHE A 72 15.160 -3.542 -15.987 1.00 0.00 H new ATOM 0 HB3 PHE A 72 15.489 -4.594 -14.625 1.00 0.00 H new ATOM 0 HD1 PHE A 72 12.563 -2.786 -16.122 1.00 0.00 H new ATOM 0 HD2 PHE A 72 14.013 -6.339 -14.273 1.00 0.00 H new ATOM 0 HE1 PHE A 72 10.355 -3.828 -16.395 1.00 0.00 H new ATOM 0 HE2 PHE A 72 11.807 -7.383 -14.544 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.973 -6.130 -15.609 1.00 0.00 H new ATOM 1036 N SER A 73 14.475 -0.967 -15.799 1.00 0.00 N ATOM 1037 CA SER A 73 13.802 0.127 -16.490 1.00 0.00 C ATOM 1038 C SER A 73 14.039 0.048 -17.995 1.00 0.00 C ATOM 1039 O SER A 73 15.163 -0.172 -18.447 1.00 0.00 O ATOM 1040 CB SER A 73 14.292 1.474 -15.954 1.00 0.00 C ATOM 1041 OG SER A 73 14.110 1.562 -14.552 1.00 0.00 O ATOM 0 H SER A 73 15.347 -1.268 -16.235 1.00 0.00 H new ATOM 0 HA SER A 73 12.732 0.037 -16.304 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.347 1.603 -16.196 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.751 2.283 -16.445 1.00 0.00 H new ATOM 0 HG SER A 73 14.432 2.431 -14.234 1.00 0.00 H new ATOM 1047 N LYS A 74 12.973 0.229 -18.766 1.00 0.00 N ATOM 1048 CA LYS A 74 13.062 0.180 -20.220 1.00 0.00 C ATOM 1049 C LYS A 74 12.634 1.508 -20.837 1.00 0.00 C ATOM 1050 O LYS A 74 11.553 2.018 -20.544 1.00 0.00 O ATOM 1051 CB LYS A 74 12.192 -0.953 -20.768 1.00 0.00 C ATOM 1052 CG LYS A 74 12.575 -1.392 -22.170 1.00 0.00 C ATOM 1053 CD LYS A 74 11.688 -2.522 -22.663 1.00 0.00 C ATOM 1054 CE LYS A 74 10.331 -2.008 -23.118 1.00 0.00 C ATOM 1055 NZ LYS A 74 9.355 -1.948 -21.994 1.00 0.00 N ATOM 0 H LYS A 74 12.036 0.411 -18.407 1.00 0.00 H new ATOM 0 HA LYS A 74 14.102 -0.007 -20.488 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.261 -1.809 -20.097 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.150 -0.632 -20.769 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.498 -0.545 -22.851 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.616 -1.715 -22.179 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.179 -3.037 -23.489 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.553 -3.254 -21.866 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.446 -1.015 -23.553 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.942 -2.656 -23.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.541 -2.559 -22.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.812 -2.275 -21.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.029 -0.968 -21.869 1.00 0.00 H new ATOM 1069 N GLU A 75 13.488 2.062 -21.692 1.00 0.00 N ATOM 1070 CA GLU A 75 13.196 3.330 -22.350 1.00 0.00 C ATOM 1071 C GLU A 75 13.204 4.478 -21.345 1.00 0.00 C ATOM 1072 O GLU A 75 12.334 5.348 -21.376 1.00 0.00 O ATOM 1073 CB GLU A 75 11.840 3.263 -23.055 1.00 0.00 C ATOM 1074 CG GLU A 75 11.657 4.328 -24.124 1.00 0.00 C ATOM 1075 CD GLU A 75 10.273 4.301 -24.743 1.00 0.00 C ATOM 1076 OE1 GLU A 75 10.061 3.514 -25.688 1.00 0.00 O ATOM 1077 OE2 GLU A 75 9.402 5.068 -24.281 1.00 0.00 O ATOM 0 H GLU A 75 14.387 1.653 -21.945 1.00 0.00 H new ATOM 0 HA GLU A 75 13.974 3.514 -23.091 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.725 2.279 -23.510 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.048 3.365 -22.313 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.837 5.310 -23.687 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.403 4.185 -24.905 1.00 0.00 H new ATOM 1084 N GLN A 76 14.191 4.472 -20.455 1.00 0.00 N ATOM 1085 CA GLN A 76 14.310 5.512 -19.440 1.00 0.00 C ATOM 1086 C GLN A 76 15.774 5.789 -19.114 1.00 0.00 C ATOM 1087 O GLN A 76 16.509 4.892 -18.700 1.00 0.00 O ATOM 1088 CB GLN A 76 13.562 5.103 -18.170 1.00 0.00 C ATOM 1089 CG GLN A 76 13.020 6.281 -17.377 1.00 0.00 C ATOM 1090 CD GLN A 76 14.029 6.834 -16.390 1.00 0.00 C ATOM 1091 OE1 GLN A 76 14.749 7.787 -16.688 1.00 0.00 O ATOM 1092 NE2 GLN A 76 14.087 6.237 -15.205 1.00 0.00 N ATOM 0 H GLN A 76 14.919 3.759 -20.416 1.00 0.00 H new ATOM 0 HA GLN A 76 13.865 6.425 -19.837 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.735 4.447 -18.441 1.00 0.00 H new ATOM 0 HB3 GLN A 76 14.232 4.525 -17.534 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.721 7.071 -18.066 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.124 5.971 -16.839 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.471 5.450 -15.000 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.747 6.566 -14.500 1.00 0.00 H new ATOM 1101 N ARG A 77 16.192 7.036 -19.306 1.00 0.00 N ATOM 1102 CA ARG A 77 17.569 7.431 -19.034 1.00 0.00 C ATOM 1103 C ARG A 77 17.643 8.335 -17.808 1.00 0.00 C ATOM 1104 O ARG A 77 17.323 9.522 -17.879 1.00 0.00 O ATOM 1105 CB ARG A 77 18.165 8.147 -20.247 1.00 0.00 C ATOM 1106 CG ARG A 77 18.772 7.205 -21.274 1.00 0.00 C ATOM 1107 CD ARG A 77 19.807 7.912 -22.135 1.00 0.00 C ATOM 1108 NE ARG A 77 20.669 6.967 -22.840 1.00 0.00 N ATOM 1109 CZ ARG A 77 21.874 7.277 -23.306 1.00 0.00 C ATOM 1110 NH1 ARG A 77 22.357 8.501 -23.141 1.00 0.00 N ATOM 1111 NH2 ARG A 77 22.598 6.363 -23.937 1.00 0.00 N ATOM 0 H ARG A 77 15.597 7.790 -19.649 1.00 0.00 H new ATOM 0 HA ARG A 77 18.147 6.529 -18.833 1.00 0.00 H new ATOM 0 HB2 ARG A 77 17.386 8.740 -20.726 1.00 0.00 H new ATOM 0 HB3 ARG A 77 18.932 8.843 -19.907 1.00 0.00 H new ATOM 0 HG2 ARG A 77 19.236 6.360 -20.765 1.00 0.00 H new ATOM 0 HG3 ARG A 77 17.984 6.800 -21.909 1.00 0.00 H new ATOM 0 HD2 ARG A 77 19.301 8.551 -22.859 1.00 0.00 H new ATOM 0 HD3 ARG A 77 20.418 8.562 -21.508 1.00 0.00 H new ATOM 0 HE ARG A 77 20.327 6.017 -22.982 1.00 0.00 H new ATOM 0 HH11 ARG A 77 21.803 9.207 -22.655 1.00 0.00 H new ATOM 0 HH12 ARG A 77 23.282 8.737 -23.500 1.00 0.00 H new ATOM 0 HH21 ARG A 77 22.230 5.420 -24.065 1.00 0.00 H new ATOM 0 HH22 ARG A 77 23.523 6.602 -24.294 1.00 0.00 H new ATOM 1125 N SER A 78 18.067 7.767 -16.684 1.00 0.00 N ATOM 1126 CA SER A 78 18.180 8.521 -15.440 1.00 0.00 C ATOM 1127 C SER A 78 19.167 7.853 -14.488 1.00 0.00 C ATOM 1128 O SER A 78 19.802 6.857 -14.831 1.00 0.00 O ATOM 1129 CB SER A 78 16.810 8.645 -14.770 1.00 0.00 C ATOM 1130 OG SER A 78 16.116 9.790 -15.235 1.00 0.00 O ATOM 0 H SER A 78 18.338 6.787 -16.609 1.00 0.00 H new ATOM 0 HA SER A 78 18.552 9.517 -15.679 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.220 7.751 -14.973 1.00 0.00 H new ATOM 0 HB3 SER A 78 16.935 8.706 -13.689 1.00 0.00 H new ATOM 0 HG SER A 78 15.449 9.520 -15.900 1.00 0.00 H new ATOM 1136 N GLY A 79 19.290 8.411 -13.287 1.00 0.00 N ATOM 1137 CA GLY A 79 20.201 7.857 -12.302 1.00 0.00 C ATOM 1138 C GLY A 79 21.453 8.695 -12.136 1.00 0.00 C ATOM 1139 O GLY A 79 21.739 9.187 -11.044 1.00 0.00 O ATOM 0 H GLY A 79 18.775 9.236 -12.979 1.00 0.00 H new ATOM 0 HA2 GLY A 79 19.690 7.778 -11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.481 6.846 -12.598 1.00 0.00 H new ATOM 1143 N SER A 80 22.204 8.856 -13.221 1.00 0.00 N ATOM 1144 CA SER A 80 23.436 9.635 -13.189 1.00 0.00 C ATOM 1145 C SER A 80 23.138 11.114 -12.961 1.00 0.00 C ATOM 1146 O SER A 80 22.432 11.745 -13.747 1.00 0.00 O ATOM 1147 CB SER A 80 24.212 9.455 -14.495 1.00 0.00 C ATOM 1148 OG SER A 80 25.607 9.585 -14.282 1.00 0.00 O ATOM 0 H SER A 80 21.981 8.457 -14.133 1.00 0.00 H new ATOM 0 HA SER A 80 24.044 9.273 -12.360 1.00 0.00 H new ATOM 0 HB2 SER A 80 23.996 8.474 -14.918 1.00 0.00 H new ATOM 0 HB3 SER A 80 23.882 10.196 -15.223 1.00 0.00 H new ATOM 0 HG SER A 80 26.080 9.464 -15.132 1.00 0.00 H new ATOM 1154 N GLY A 81 23.681 11.661 -11.878 1.00 0.00 N ATOM 1155 CA GLY A 81 23.463 13.061 -11.565 1.00 0.00 C ATOM 1156 C GLY A 81 24.462 13.592 -10.556 1.00 0.00 C ATOM 1157 O GLY A 81 25.543 13.034 -10.368 1.00 0.00 O ATOM 0 H GLY A 81 24.268 11.159 -11.212 1.00 0.00 H new ATOM 0 HA2 GLY A 81 23.528 13.649 -12.480 1.00 0.00 H new ATOM 0 HA3 GLY A 81 22.454 13.190 -11.175 1.00 0.00 H new ATOM 1161 N PRO A 82 24.104 14.699 -9.889 1.00 0.00 N ATOM 1162 CA PRO A 82 24.964 15.331 -8.884 1.00 0.00 C ATOM 1163 C PRO A 82 25.091 14.490 -7.618 1.00 0.00 C ATOM 1164 O PRO A 82 24.235 13.654 -7.328 1.00 0.00 O ATOM 1165 CB PRO A 82 24.246 16.648 -8.580 1.00 0.00 C ATOM 1166 CG PRO A 82 22.818 16.387 -8.912 1.00 0.00 C ATOM 1167 CD PRO A 82 22.830 15.418 -10.062 1.00 0.00 C ATOM 0 HA PRO A 82 25.985 15.459 -9.244 1.00 0.00 H new ATOM 0 HB2 PRO A 82 24.364 16.931 -7.534 1.00 0.00 H new ATOM 0 HB3 PRO A 82 24.648 17.465 -9.178 1.00 0.00 H new ATOM 0 HG2 PRO A 82 22.288 15.970 -8.056 1.00 0.00 H new ATOM 0 HG3 PRO A 82 22.306 17.310 -9.185 1.00 0.00 H new ATOM 0 HD2 PRO A 82 21.978 14.740 -10.025 1.00 0.00 H new ATOM 0 HD3 PRO A 82 22.786 15.933 -11.022 1.00 0.00 H new ATOM 1175 N SER A 83 26.165 14.717 -6.868 1.00 0.00 N ATOM 1176 CA SER A 83 26.406 13.977 -5.635 1.00 0.00 C ATOM 1177 C SER A 83 27.234 14.806 -4.657 1.00 0.00 C ATOM 1178 O SER A 83 28.124 15.555 -5.060 1.00 0.00 O ATOM 1179 CB SER A 83 27.121 12.659 -5.937 1.00 0.00 C ATOM 1180 OG SER A 83 28.381 12.890 -6.544 1.00 0.00 O ATOM 0 H SER A 83 26.882 15.407 -7.093 1.00 0.00 H new ATOM 0 HA SER A 83 25.441 13.761 -5.176 1.00 0.00 H new ATOM 0 HB2 SER A 83 27.256 12.095 -5.014 1.00 0.00 H new ATOM 0 HB3 SER A 83 26.503 12.049 -6.596 1.00 0.00 H new ATOM 0 HG SER A 83 28.819 12.032 -6.726 1.00 0.00 H new ATOM 1186 N SER A 84 26.934 14.665 -3.370 1.00 0.00 N ATOM 1187 CA SER A 84 27.647 15.403 -2.334 1.00 0.00 C ATOM 1188 C SER A 84 29.107 14.968 -2.265 1.00 0.00 C ATOM 1189 O SER A 84 29.412 13.776 -2.257 1.00 0.00 O ATOM 1190 CB SER A 84 26.975 15.193 -0.975 1.00 0.00 C ATOM 1191 OG SER A 84 27.178 16.311 -0.129 1.00 0.00 O ATOM 0 H SER A 84 26.202 14.047 -3.020 1.00 0.00 H new ATOM 0 HA SER A 84 27.613 16.462 -2.588 1.00 0.00 H new ATOM 0 HB2 SER A 84 25.907 15.028 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 84 27.376 14.297 -0.502 1.00 0.00 H new ATOM 0 HG SER A 84 26.738 16.154 0.732 1.00 0.00 H new ATOM 1197 N GLY A 85 30.008 15.945 -2.215 1.00 0.00 N ATOM 1198 CA GLY A 85 31.426 15.644 -2.148 1.00 0.00 C ATOM 1199 C GLY A 85 32.249 16.522 -3.069 1.00 0.00 C ATOM 1200 O GLY A 85 33.244 17.113 -2.649 1.00 0.00 O ATOM 0 H GLY A 85 29.781 16.939 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 85 31.773 15.772 -1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 85 31.585 14.598 -2.410 1.00 0.00 H new TER 1204 GLY A 85