USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 869 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 83 ASN : amide:sc= -2.09! K(o=-2.1!,f=-0.26) USER MOD Set 1.2: A 110 SER OG : rot 180:sc= -0.0547 USER MOD Set 2.1: A 85 SER OG : rot 180:sc= 0.00992 USER MOD Set 2.2: A 107 THR OG1 : rot -57:sc= 0.00993 USER MOD Set 3.1: A 54 TYR OH : rot 180:sc= -0.0122 USER MOD Set 3.2: A 63 HIS : no HD1:sc= -0.923 X(o=-0.93,f=-0.88) USER MOD Set 4.1: A 37 SER OG : rot 85:sc= 0.398 USER MOD Set 4.2: A 74 SER OG : rot 180:sc= -0.205 USER MOD Single : A 1 GLY N :NH3+ 130:sc= 0.00729 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 41:sc= 0.724 USER MOD Single : A 20 THR OG1 : rot 160:sc= -1.05 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc=-0.000579 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.545 USER MOD Single : A 39 GLN : amide:sc= -0.0189 K(o=-0.019,f=-1.4!) USER MOD Single : A 43 CYS SG : rot 99:sc= -0.756 USER MOD Single : A 48 GLN : amide:sc= -4.39! C(o=-4.4!,f=-14!) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.962 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -1.95 K(o=-2,f=-2.8!) USER MOD Single : A 66 ASN : amide:sc= -0.946 K(o=-0.95,f=-8.2!) USER MOD Single : A 69 ASN : amide:sc= -1.54 X(o=-1.5,f=-2) USER MOD Single : A 72 GLN : amide:sc= 0.565 K(o=0.57,f=-0.27) USER MOD Single : A 73 THR OG1 : rot 128:sc= 0.0908 USER MOD Single : A 84 HIS : no HE2:sc= 0.835 K(o=0.83,f=-7.1!) USER MOD Single : A 86 TYR OH : rot 30:sc= -0.0144 USER MOD Single : A 93 GLN : amide:sc= -7.92! C(o=-7.9!,f=-6.9!) USER MOD Single : A 94 SER OG : rot 180:sc= -0.943 USER MOD Single : A 95 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.8!) USER MOD Single : A 111 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.9!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 39.400 -5.860 6.608 1.00 0.00 N ATOM 2 CA GLY A 1 38.691 -4.982 7.521 1.00 0.00 C ATOM 3 C GLY A 1 38.099 -3.775 6.821 1.00 0.00 C ATOM 4 O GLY A 1 38.701 -3.227 5.898 1.00 0.00 O ATOM 0 H1 GLY A 1 40.343 -6.073 6.992 1.00 0.00 H new ATOM 0 H2 GLY A 1 38.866 -6.745 6.492 1.00 0.00 H new ATOM 0 H3 GLY A 1 39.500 -5.393 5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 1 37.894 -5.540 8.012 1.00 0.00 H new ATOM 0 HA3 GLY A 1 39.374 -4.647 8.302 1.00 0.00 H new ATOM 8 N SER A 2 36.915 -3.359 7.261 1.00 0.00 N ATOM 9 CA SER A 2 36.239 -2.212 6.667 1.00 0.00 C ATOM 10 C SER A 2 35.735 -1.259 7.747 1.00 0.00 C ATOM 11 O SER A 2 34.776 -1.560 8.457 1.00 0.00 O ATOM 12 CB SER A 2 35.071 -2.677 5.796 1.00 0.00 C ATOM 13 OG SER A 2 35.502 -2.969 4.478 1.00 0.00 O ATOM 0 H SER A 2 36.405 -3.799 8.027 1.00 0.00 H new ATOM 0 HA SER A 2 36.958 -1.680 6.044 1.00 0.00 H new ATOM 0 HB2 SER A 2 34.614 -3.563 6.237 1.00 0.00 H new ATOM 0 HB3 SER A 2 34.304 -1.903 5.768 1.00 0.00 H new ATOM 0 HG SER A 2 34.737 -3.266 3.942 1.00 0.00 H new ATOM 19 N SER A 3 36.390 -0.109 7.865 1.00 0.00 N ATOM 20 CA SER A 3 36.012 0.888 8.860 1.00 0.00 C ATOM 21 C SER A 3 34.497 0.939 9.029 1.00 0.00 C ATOM 22 O SER A 3 33.751 0.916 8.050 1.00 0.00 O ATOM 23 CB SER A 3 36.540 2.266 8.459 1.00 0.00 C ATOM 24 OG SER A 3 37.901 2.417 8.820 1.00 0.00 O ATOM 0 H SER A 3 37.185 0.156 7.284 1.00 0.00 H new ATOM 0 HA SER A 3 36.456 0.601 9.813 1.00 0.00 H new ATOM 0 HB2 SER A 3 36.429 2.402 7.383 1.00 0.00 H new ATOM 0 HB3 SER A 3 35.945 3.041 8.942 1.00 0.00 H new ATOM 0 HG SER A 3 38.214 3.306 8.551 1.00 0.00 H new ATOM 30 N GLY A 4 34.048 1.010 10.278 1.00 0.00 N ATOM 31 CA GLY A 4 32.624 1.064 10.554 1.00 0.00 C ATOM 32 C GLY A 4 32.032 2.431 10.277 1.00 0.00 C ATOM 33 O GLY A 4 31.419 2.649 9.232 1.00 0.00 O ATOM 0 H GLY A 4 34.645 1.031 11.105 1.00 0.00 H new ATOM 0 HA2 GLY A 4 32.111 0.319 9.946 1.00 0.00 H new ATOM 0 HA3 GLY A 4 32.449 0.800 11.597 1.00 0.00 H new ATOM 37 N SER A 5 32.213 3.355 11.215 1.00 0.00 N ATOM 38 CA SER A 5 31.687 4.707 11.069 1.00 0.00 C ATOM 39 C SER A 5 32.801 5.688 10.718 1.00 0.00 C ATOM 40 O SER A 5 33.559 6.121 11.586 1.00 0.00 O ATOM 41 CB SER A 5 30.991 5.148 12.359 1.00 0.00 C ATOM 42 OG SER A 5 30.613 6.512 12.293 1.00 0.00 O ATOM 0 H SER A 5 32.720 3.192 12.085 1.00 0.00 H new ATOM 0 HA SER A 5 30.961 4.702 10.256 1.00 0.00 H new ATOM 0 HB2 SER A 5 30.109 4.531 12.530 1.00 0.00 H new ATOM 0 HB3 SER A 5 31.658 4.993 13.207 1.00 0.00 H new ATOM 0 HG SER A 5 30.169 6.769 13.128 1.00 0.00 H new ATOM 48 N SER A 6 32.892 6.036 9.438 1.00 0.00 N ATOM 49 CA SER A 6 33.915 6.963 8.969 1.00 0.00 C ATOM 50 C SER A 6 33.363 7.875 7.878 1.00 0.00 C ATOM 51 O SER A 6 32.732 7.414 6.928 1.00 0.00 O ATOM 52 CB SER A 6 35.128 6.194 8.441 1.00 0.00 C ATOM 53 OG SER A 6 34.828 5.549 7.215 1.00 0.00 O ATOM 0 H SER A 6 32.270 5.690 8.708 1.00 0.00 H new ATOM 0 HA SER A 6 34.224 7.580 9.813 1.00 0.00 H new ATOM 0 HB2 SER A 6 35.964 6.879 8.300 1.00 0.00 H new ATOM 0 HB3 SER A 6 35.443 5.454 9.177 1.00 0.00 H new ATOM 0 HG SER A 6 35.619 5.066 6.897 1.00 0.00 H new ATOM 59 N GLY A 7 33.605 9.175 8.023 1.00 0.00 N ATOM 60 CA GLY A 7 33.125 10.132 7.043 1.00 0.00 C ATOM 61 C GLY A 7 31.680 10.528 7.279 1.00 0.00 C ATOM 62 O GLY A 7 31.020 9.992 8.169 1.00 0.00 O ATOM 0 H GLY A 7 34.124 9.582 8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 7 33.752 11.023 7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 7 33.223 9.706 6.045 1.00 0.00 H new ATOM 66 N SER A 8 31.189 11.470 6.480 1.00 0.00 N ATOM 67 CA SER A 8 29.815 11.941 6.609 1.00 0.00 C ATOM 68 C SER A 8 29.208 12.227 5.239 1.00 0.00 C ATOM 69 O SER A 8 29.820 12.890 4.402 1.00 0.00 O ATOM 70 CB SER A 8 29.765 13.201 7.475 1.00 0.00 C ATOM 71 OG SER A 8 30.383 14.295 6.819 1.00 0.00 O ATOM 0 H SER A 8 31.722 11.922 5.737 1.00 0.00 H new ATOM 0 HA SER A 8 29.231 11.156 7.089 1.00 0.00 H new ATOM 0 HB2 SER A 8 28.728 13.448 7.703 1.00 0.00 H new ATOM 0 HB3 SER A 8 30.265 13.013 8.425 1.00 0.00 H new ATOM 0 HG SER A 8 30.337 15.089 7.392 1.00 0.00 H new ATOM 77 N HIS A 9 27.998 11.722 5.018 1.00 0.00 N ATOM 78 CA HIS A 9 27.306 11.923 3.750 1.00 0.00 C ATOM 79 C HIS A 9 25.851 11.473 3.847 1.00 0.00 C ATOM 80 O HIS A 9 25.569 10.295 4.069 1.00 0.00 O ATOM 81 CB HIS A 9 28.015 11.158 2.631 1.00 0.00 C ATOM 82 CG HIS A 9 27.752 11.715 1.266 1.00 0.00 C ATOM 83 ND1 HIS A 9 27.114 11.002 0.272 1.00 0.00 N ATOM 84 CD2 HIS A 9 28.044 12.924 0.731 1.00 0.00 C ATOM 85 CE1 HIS A 9 27.026 11.748 -0.815 1.00 0.00 C ATOM 86 NE2 HIS A 9 27.583 12.919 -0.562 1.00 0.00 N ATOM 0 H HIS A 9 27.477 11.171 5.700 1.00 0.00 H new ATOM 0 HA HIS A 9 27.324 12.988 3.520 1.00 0.00 H new ATOM 0 HB2 HIS A 9 29.089 11.169 2.818 1.00 0.00 H new ATOM 0 HB3 HIS A 9 27.697 10.116 2.657 1.00 0.00 H new ATOM 0 HD2 HIS A 9 28.546 13.740 1.229 1.00 0.00 H new ATOM 0 HE1 HIS A 9 26.576 11.451 -1.751 1.00 0.00 H new ATOM 0 HE2 HIS A 9 27.658 13.694 -1.221 1.00 0.00 H new ATOM 94 N ASP A 10 24.933 12.418 3.681 1.00 0.00 N ATOM 95 CA ASP A 10 23.507 12.119 3.750 1.00 0.00 C ATOM 96 C ASP A 10 22.817 12.455 2.432 1.00 0.00 C ATOM 97 O ASP A 10 22.673 13.624 2.076 1.00 0.00 O ATOM 98 CB ASP A 10 22.856 12.897 4.894 1.00 0.00 C ATOM 99 CG ASP A 10 22.879 12.132 6.203 1.00 0.00 C ATOM 100 OD1 ASP A 10 22.456 10.957 6.210 1.00 0.00 O ATOM 101 OD2 ASP A 10 23.319 12.708 7.220 1.00 0.00 O ATOM 0 H ASP A 10 25.150 13.398 3.498 1.00 0.00 H new ATOM 0 HA ASP A 10 23.393 11.051 3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 10 23.373 13.848 5.023 1.00 0.00 H new ATOM 0 HB3 ASP A 10 21.824 13.129 4.630 1.00 0.00 H new ATOM 106 N SER A 11 22.392 11.421 1.712 1.00 0.00 N ATOM 107 CA SER A 11 21.722 11.607 0.430 1.00 0.00 C ATOM 108 C SER A 11 20.281 11.109 0.495 1.00 0.00 C ATOM 109 O SER A 11 19.796 10.456 -0.430 1.00 0.00 O ATOM 110 CB SER A 11 22.478 10.871 -0.677 1.00 0.00 C ATOM 111 OG SER A 11 23.717 11.501 -0.953 1.00 0.00 O ATOM 0 H SER A 11 22.500 10.447 1.994 1.00 0.00 H new ATOM 0 HA SER A 11 21.711 12.673 0.205 1.00 0.00 H new ATOM 0 HB2 SER A 11 22.651 9.837 -0.379 1.00 0.00 H new ATOM 0 HB3 SER A 11 21.870 10.845 -1.581 1.00 0.00 H new ATOM 0 HG SER A 11 24.182 11.011 -1.663 1.00 0.00 H new ATOM 117 N ARG A 12 19.602 11.422 1.593 1.00 0.00 N ATOM 118 CA ARG A 12 18.217 11.006 1.780 1.00 0.00 C ATOM 119 C ARG A 12 17.331 12.202 2.117 1.00 0.00 C ATOM 120 O ARG A 12 16.475 12.125 3.000 1.00 0.00 O ATOM 121 CB ARG A 12 18.122 9.958 2.890 1.00 0.00 C ATOM 122 CG ARG A 12 18.610 8.581 2.471 1.00 0.00 C ATOM 123 CD ARG A 12 18.160 7.509 3.451 1.00 0.00 C ATOM 124 NE ARG A 12 18.505 6.167 2.990 1.00 0.00 N ATOM 125 CZ ARG A 12 17.855 5.534 2.019 1.00 0.00 C ATOM 126 NH1 ARG A 12 16.832 6.118 1.411 1.00 0.00 N ATOM 127 NH2 ARG A 12 18.228 4.313 1.655 1.00 0.00 N ATOM 0 H ARG A 12 19.988 11.962 2.367 1.00 0.00 H new ATOM 0 HA ARG A 12 17.866 10.568 0.846 1.00 0.00 H new ATOM 0 HB2 ARG A 12 18.705 10.295 3.747 1.00 0.00 H new ATOM 0 HB3 ARG A 12 17.086 9.882 3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 12 18.232 8.347 1.476 1.00 0.00 H new ATOM 0 HG3 ARG A 12 19.698 8.583 2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.622 7.689 4.422 1.00 0.00 H new ATOM 0 HD3 ARG A 12 17.081 7.577 3.593 1.00 0.00 H new ATOM 0 HE ARG A 12 19.287 5.690 3.438 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.542 7.056 1.688 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.335 5.630 0.666 1.00 0.00 H new ATOM 0 HH21 ARG A 12 19.014 3.860 2.121 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.728 3.828 0.910 1.00 0.00 H new ATOM 141 N LEU A 13 17.542 13.306 1.410 1.00 0.00 N ATOM 142 CA LEU A 13 16.763 14.519 1.634 1.00 0.00 C ATOM 143 C LEU A 13 15.544 14.561 0.719 1.00 0.00 C ATOM 144 O LEU A 13 15.564 15.204 -0.331 1.00 0.00 O ATOM 145 CB LEU A 13 17.632 15.757 1.402 1.00 0.00 C ATOM 146 CG LEU A 13 18.808 15.941 2.362 1.00 0.00 C ATOM 147 CD1 LEU A 13 19.970 15.046 1.960 1.00 0.00 C ATOM 148 CD2 LEU A 13 19.243 17.399 2.400 1.00 0.00 C ATOM 0 H LEU A 13 18.246 13.387 0.676 1.00 0.00 H new ATOM 0 HA LEU A 13 16.418 14.513 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 13 18.022 15.717 0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 13 16.996 16.640 1.465 1.00 0.00 H new ATOM 0 HG LEU A 13 18.484 15.654 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 13 20.798 15.190 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 13 19.652 14.004 1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.294 15.302 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 13 20.081 17.511 3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 13 19.549 17.714 1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 13 18.412 18.018 2.737 1.00 0.00 H new ATOM 160 N THR A 14 14.482 13.872 1.124 1.00 0.00 N ATOM 161 CA THR A 14 13.253 13.831 0.341 1.00 0.00 C ATOM 162 C THR A 14 12.085 14.424 1.120 1.00 0.00 C ATOM 163 O THR A 14 11.560 13.799 2.041 1.00 0.00 O ATOM 164 CB THR A 14 12.900 12.390 -0.074 1.00 0.00 C ATOM 165 OG1 THR A 14 12.791 11.558 1.087 1.00 0.00 O ATOM 166 CG2 THR A 14 13.954 11.823 -1.013 1.00 0.00 C ATOM 0 H THR A 14 14.448 13.334 1.990 1.00 0.00 H new ATOM 0 HA THR A 14 13.428 14.427 -0.555 1.00 0.00 H new ATOM 0 HB THR A 14 11.944 12.411 -0.597 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.334 12.050 1.801 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.683 10.805 -1.292 1.00 0.00 H new ATOM 0 HG22 THR A 14 14.014 12.441 -1.909 1.00 0.00 H new ATOM 0 HG23 THR A 14 14.922 11.816 -0.512 1.00 0.00 H new ATOM 174 N ALA A 15 11.682 15.633 0.744 1.00 0.00 N ATOM 175 CA ALA A 15 10.573 16.309 1.406 1.00 0.00 C ATOM 176 C ALA A 15 9.321 16.290 0.536 1.00 0.00 C ATOM 177 O ALA A 15 8.208 16.128 1.037 1.00 0.00 O ATOM 178 CB ALA A 15 10.958 17.741 1.748 1.00 0.00 C ATOM 0 H ALA A 15 12.107 16.165 -0.016 1.00 0.00 H new ATOM 0 HA ALA A 15 10.351 15.773 2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.121 18.235 2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.821 17.737 2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.208 18.279 0.834 1.00 0.00 H new ATOM 184 N GLY A 16 9.509 16.455 -0.769 1.00 0.00 N ATOM 185 CA GLY A 16 8.385 16.454 -1.687 1.00 0.00 C ATOM 186 C GLY A 16 7.707 15.101 -1.772 1.00 0.00 C ATOM 187 O GLY A 16 6.554 15.001 -2.190 1.00 0.00 O ATOM 0 H GLY A 16 10.420 16.589 -1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.659 17.201 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.730 16.747 -2.679 1.00 0.00 H new ATOM 191 N VAL A 17 8.426 14.055 -1.376 1.00 0.00 N ATOM 192 CA VAL A 17 7.888 12.700 -1.410 1.00 0.00 C ATOM 193 C VAL A 17 6.623 12.590 -0.566 1.00 0.00 C ATOM 194 O VAL A 17 6.458 13.277 0.442 1.00 0.00 O ATOM 195 CB VAL A 17 8.919 11.674 -0.906 1.00 0.00 C ATOM 196 CG1 VAL A 17 10.063 11.534 -1.899 1.00 0.00 C ATOM 197 CG2 VAL A 17 9.440 12.073 0.467 1.00 0.00 C ATOM 0 H VAL A 17 9.383 14.120 -1.028 1.00 0.00 H new ATOM 0 HA VAL A 17 7.648 12.481 -2.450 1.00 0.00 H new ATOM 0 HB VAL A 17 8.427 10.705 -0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.782 10.805 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.672 11.199 -2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.556 12.498 -2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.168 11.337 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.916 13.052 0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.610 12.117 1.172 1.00 0.00 H new ATOM 207 N PRO A 18 5.707 11.705 -0.985 1.00 0.00 N ATOM 208 CA PRO A 18 4.441 11.482 -0.281 1.00 0.00 C ATOM 209 C PRO A 18 4.638 10.789 1.062 1.00 0.00 C ATOM 210 O PRO A 18 5.228 9.711 1.135 1.00 0.00 O ATOM 211 CB PRO A 18 3.657 10.581 -1.238 1.00 0.00 C ATOM 212 CG PRO A 18 4.700 9.879 -2.038 1.00 0.00 C ATOM 213 CD PRO A 18 5.837 10.852 -2.179 1.00 0.00 C ATOM 0 HA PRO A 18 3.936 12.419 -0.045 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.033 9.873 -0.693 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.994 11.164 -1.877 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.027 8.967 -1.539 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.313 9.587 -3.014 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.800 10.343 -2.206 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.757 11.433 -3.098 1.00 0.00 H new ATOM 221 N ASP A 19 4.141 11.414 2.124 1.00 0.00 N ATOM 222 CA ASP A 19 4.261 10.856 3.466 1.00 0.00 C ATOM 223 C ASP A 19 3.525 9.524 3.569 1.00 0.00 C ATOM 224 O ASP A 19 2.599 9.253 2.803 1.00 0.00 O ATOM 225 CB ASP A 19 3.711 11.839 4.501 1.00 0.00 C ATOM 226 CG ASP A 19 4.391 11.700 5.849 1.00 0.00 C ATOM 227 OD1 ASP A 19 5.548 12.154 5.980 1.00 0.00 O ATOM 228 OD2 ASP A 19 3.767 11.140 6.773 1.00 0.00 O ATOM 0 H ASP A 19 3.651 12.308 2.081 1.00 0.00 H new ATOM 0 HA ASP A 19 5.318 10.682 3.667 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.840 12.858 4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.640 11.676 4.619 1.00 0.00 H new ATOM 233 N THR A 20 3.943 8.695 4.520 1.00 0.00 N ATOM 234 CA THR A 20 3.325 7.390 4.722 1.00 0.00 C ATOM 235 C THR A 20 1.806 7.482 4.637 1.00 0.00 C ATOM 236 O THR A 20 1.176 8.338 5.258 1.00 0.00 O ATOM 237 CB THR A 20 3.716 6.788 6.084 1.00 0.00 C ATOM 238 OG1 THR A 20 5.070 7.132 6.402 1.00 0.00 O ATOM 239 CG2 THR A 20 3.562 5.275 6.072 1.00 0.00 C ATOM 0 H THR A 20 4.707 8.904 5.163 1.00 0.00 H new ATOM 0 HA THR A 20 3.692 6.740 3.927 1.00 0.00 H new ATOM 0 HB THR A 20 3.049 7.199 6.842 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.214 7.037 7.367 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.844 4.873 7.045 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.525 5.017 5.859 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.207 4.850 5.303 1.00 0.00 H new ATOM 247 N PRO A 21 1.201 6.580 3.849 1.00 0.00 N ATOM 248 CA PRO A 21 -0.253 6.538 3.666 1.00 0.00 C ATOM 249 C PRO A 21 -0.983 6.077 4.922 1.00 0.00 C ATOM 250 O PRO A 21 -0.400 5.422 5.787 1.00 0.00 O ATOM 251 CB PRO A 21 -0.439 5.523 2.536 1.00 0.00 C ATOM 252 CG PRO A 21 0.766 4.649 2.610 1.00 0.00 C ATOM 253 CD PRO A 21 1.889 5.531 3.079 1.00 0.00 C ATOM 0 HA PRO A 21 -0.664 7.523 3.445 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.355 4.947 2.668 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.511 6.018 1.567 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.606 3.821 3.301 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.992 4.213 1.637 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.601 4.982 3.695 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.448 5.949 2.242 1.00 0.00 H new ATOM 261 N THR A 22 -2.263 6.422 5.018 1.00 0.00 N ATOM 262 CA THR A 22 -3.073 6.043 6.169 1.00 0.00 C ATOM 263 C THR A 22 -3.377 4.549 6.160 1.00 0.00 C ATOM 264 O THR A 22 -3.067 3.849 5.196 1.00 0.00 O ATOM 265 CB THR A 22 -4.399 6.825 6.205 1.00 0.00 C ATOM 266 OG1 THR A 22 -4.200 8.151 5.703 1.00 0.00 O ATOM 267 CG2 THR A 22 -4.951 6.891 7.621 1.00 0.00 C ATOM 0 H THR A 22 -2.761 6.964 4.312 1.00 0.00 H new ATOM 0 HA THR A 22 -2.492 6.287 7.058 1.00 0.00 H new ATOM 0 HB THR A 22 -5.120 6.303 5.575 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.048 8.641 5.728 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.888 7.448 7.621 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.130 5.881 7.989 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.231 7.391 8.269 1.00 0.00 H new ATOM 275 N ARG A 23 -3.985 4.068 7.239 1.00 0.00 N ATOM 276 CA ARG A 23 -4.331 2.656 7.355 1.00 0.00 C ATOM 277 C ARG A 23 -5.004 2.155 6.081 1.00 0.00 C ATOM 278 O ARG A 23 -5.543 2.940 5.300 1.00 0.00 O ATOM 279 CB ARG A 23 -5.254 2.432 8.554 1.00 0.00 C ATOM 280 CG ARG A 23 -6.648 3.007 8.366 1.00 0.00 C ATOM 281 CD ARG A 23 -7.495 2.835 9.617 1.00 0.00 C ATOM 282 NE ARG A 23 -8.666 3.708 9.609 1.00 0.00 N ATOM 283 CZ ARG A 23 -9.397 3.966 10.687 1.00 0.00 C ATOM 284 NH1 ARG A 23 -9.081 3.421 11.854 1.00 0.00 N ATOM 285 NH2 ARG A 23 -10.448 4.772 10.601 1.00 0.00 N ATOM 0 H ARG A 23 -4.248 4.635 8.045 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.410 2.093 7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.334 1.362 8.745 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.802 2.880 9.439 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.576 4.066 8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.136 2.514 7.525 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.817 1.797 9.697 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.889 3.049 10.497 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.937 4.143 8.727 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.274 2.801 11.926 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.645 3.622 12.680 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.695 5.194 9.706 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.009 4.969 11.430 1.00 0.00 H new ATOM 299 N LEU A 24 -4.968 0.842 5.876 1.00 0.00 N ATOM 300 CA LEU A 24 -5.574 0.235 4.696 1.00 0.00 C ATOM 301 C LEU A 24 -6.876 -0.474 5.057 1.00 0.00 C ATOM 302 O LEU A 24 -7.074 -0.887 6.199 1.00 0.00 O ATOM 303 CB LEU A 24 -4.602 -0.754 4.051 1.00 0.00 C ATOM 304 CG LEU A 24 -3.115 -0.437 4.214 1.00 0.00 C ATOM 305 CD1 LEU A 24 -2.265 -1.515 3.560 1.00 0.00 C ATOM 306 CD2 LEU A 24 -2.794 0.929 3.624 1.00 0.00 C ATOM 0 H LEU A 24 -4.526 0.178 6.512 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.800 1.029 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.790 -1.743 4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.826 -0.811 2.986 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.882 -0.415 5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.210 -1.273 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.475 -2.477 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.500 -1.569 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.732 1.139 3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.043 0.935 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.377 1.693 4.138 1.00 0.00 H new ATOM 318 N VAL A 25 -7.759 -0.614 4.073 1.00 0.00 N ATOM 319 CA VAL A 25 -9.040 -1.277 4.286 1.00 0.00 C ATOM 320 C VAL A 25 -9.156 -2.535 3.432 1.00 0.00 C ATOM 321 O VAL A 25 -9.016 -2.484 2.210 1.00 0.00 O ATOM 322 CB VAL A 25 -10.218 -0.339 3.961 1.00 0.00 C ATOM 323 CG1 VAL A 25 -11.540 -1.083 4.072 1.00 0.00 C ATOM 324 CG2 VAL A 25 -10.201 0.875 4.877 1.00 0.00 C ATOM 0 H VAL A 25 -7.611 -0.277 3.122 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.083 -1.551 5.340 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.110 0.009 2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.360 -0.404 3.839 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.548 -1.917 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.660 -1.462 5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.040 1.527 4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.284 0.550 5.914 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.267 1.420 4.741 1.00 0.00 H new ATOM 334 N PHE A 26 -9.414 -3.664 4.084 1.00 0.00 N ATOM 335 CA PHE A 26 -9.549 -4.937 3.385 1.00 0.00 C ATOM 336 C PHE A 26 -11.008 -5.383 3.345 1.00 0.00 C ATOM 337 O PHE A 26 -11.708 -5.346 4.357 1.00 0.00 O ATOM 338 CB PHE A 26 -8.695 -6.009 4.065 1.00 0.00 C ATOM 339 CG PHE A 26 -7.273 -5.584 4.297 1.00 0.00 C ATOM 340 CD1 PHE A 26 -6.935 -4.825 5.406 1.00 0.00 C ATOM 341 CD2 PHE A 26 -6.274 -5.942 3.406 1.00 0.00 C ATOM 342 CE1 PHE A 26 -5.628 -4.433 5.623 1.00 0.00 C ATOM 343 CE2 PHE A 26 -4.965 -5.553 3.618 1.00 0.00 C ATOM 344 CZ PHE A 26 -4.642 -4.797 4.727 1.00 0.00 C ATOM 0 H PHE A 26 -9.534 -3.723 5.095 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.201 -4.800 2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.148 -6.271 5.021 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.701 -6.910 3.452 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.702 -4.536 6.109 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.521 -6.532 2.536 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.378 -3.843 6.492 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.195 -5.840 2.917 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.620 -4.491 4.894 1.00 0.00 H new ATOM 354 N SER A 27 -11.459 -5.804 2.168 1.00 0.00 N ATOM 355 CA SER A 27 -12.835 -6.254 1.993 1.00 0.00 C ATOM 356 C SER A 27 -12.932 -7.770 2.130 1.00 0.00 C ATOM 357 O SER A 27 -13.887 -8.292 2.705 1.00 0.00 O ATOM 358 CB SER A 27 -13.366 -5.819 0.626 1.00 0.00 C ATOM 359 OG SER A 27 -14.762 -6.040 0.527 1.00 0.00 O ATOM 0 H SER A 27 -10.892 -5.843 1.321 1.00 0.00 H new ATOM 0 HA SER A 27 -13.443 -5.796 2.773 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.150 -4.762 0.468 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.851 -6.371 -0.160 1.00 0.00 H new ATOM 0 HG SER A 27 -15.077 -5.752 -0.355 1.00 0.00 H new ATOM 365 N ALA A 28 -11.938 -8.472 1.596 1.00 0.00 N ATOM 366 CA ALA A 28 -11.909 -9.928 1.659 1.00 0.00 C ATOM 367 C ALA A 28 -13.111 -10.532 0.940 1.00 0.00 C ATOM 368 O ALA A 28 -13.821 -11.372 1.494 1.00 0.00 O ATOM 369 CB ALA A 28 -11.871 -10.392 3.108 1.00 0.00 C ATOM 0 H ALA A 28 -11.141 -8.055 1.114 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.006 -10.272 1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.850 -11.481 3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.979 -9.997 3.593 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.758 -10.031 3.629 1.00 0.00 H new ATOM 375 N LEU A 29 -13.333 -10.100 -0.296 1.00 0.00 N ATOM 376 CA LEU A 29 -14.450 -10.598 -1.092 1.00 0.00 C ATOM 377 C LEU A 29 -14.632 -12.099 -0.894 1.00 0.00 C ATOM 378 O LEU A 29 -15.747 -12.614 -0.960 1.00 0.00 O ATOM 379 CB LEU A 29 -14.223 -10.291 -2.573 1.00 0.00 C ATOM 380 CG LEU A 29 -14.118 -8.811 -2.943 1.00 0.00 C ATOM 381 CD1 LEU A 29 -14.945 -7.962 -1.990 1.00 0.00 C ATOM 382 CD2 LEU A 29 -12.664 -8.361 -2.937 1.00 0.00 C ATOM 0 H LEU A 29 -12.755 -9.406 -0.769 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.356 -10.093 -0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.308 -10.790 -2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -15.041 -10.731 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.514 -8.679 -3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.858 -6.912 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.990 -8.267 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.581 -8.098 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.609 -7.305 -3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.242 -8.508 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.099 -8.947 -3.661 1.00 0.00 H new ATOM 394 N GLY A 30 -13.527 -12.797 -0.650 1.00 0.00 N ATOM 395 CA GLY A 30 -13.586 -14.233 -0.444 1.00 0.00 C ATOM 396 C GLY A 30 -12.306 -14.787 0.147 1.00 0.00 C ATOM 397 O GLY A 30 -11.450 -14.048 0.634 1.00 0.00 O ATOM 0 H GLY A 30 -12.592 -12.394 -0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.420 -14.468 0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.786 -14.725 -1.396 1.00 0.00 H new ATOM 401 N PRO A 31 -12.161 -16.120 0.111 1.00 0.00 N ATOM 402 CA PRO A 31 -10.979 -16.803 0.644 1.00 0.00 C ATOM 403 C PRO A 31 -9.732 -16.547 -0.196 1.00 0.00 C ATOM 404 O PRO A 31 -8.612 -16.558 0.315 1.00 0.00 O ATOM 405 CB PRO A 31 -11.367 -18.283 0.587 1.00 0.00 C ATOM 406 CG PRO A 31 -12.387 -18.364 -0.496 1.00 0.00 C ATOM 407 CD PRO A 31 -13.140 -17.064 -0.455 1.00 0.00 C ATOM 0 HA PRO A 31 -10.724 -16.453 1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.504 -18.911 0.366 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.773 -18.623 1.540 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.914 -18.510 -1.467 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.058 -19.208 -0.338 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -13.466 -16.757 -1.449 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -14.033 -17.136 0.165 1.00 0.00 H new ATOM 415 N THR A 32 -9.934 -16.316 -1.490 1.00 0.00 N ATOM 416 CA THR A 32 -8.827 -16.057 -2.401 1.00 0.00 C ATOM 417 C THR A 32 -8.967 -14.691 -3.064 1.00 0.00 C ATOM 418 O THR A 32 -8.387 -14.440 -4.120 1.00 0.00 O ATOM 419 CB THR A 32 -8.735 -17.138 -3.495 1.00 0.00 C ATOM 420 OG1 THR A 32 -9.973 -17.218 -4.210 1.00 0.00 O ATOM 421 CG2 THR A 32 -8.406 -18.494 -2.889 1.00 0.00 C ATOM 0 H THR A 32 -10.854 -16.303 -1.930 1.00 0.00 H new ATOM 0 HA THR A 32 -7.916 -16.076 -1.803 1.00 0.00 H new ATOM 0 HB THR A 32 -7.936 -16.861 -4.182 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.906 -17.906 -4.905 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.346 -19.241 -3.680 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.449 -18.438 -2.370 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.186 -18.776 -2.182 1.00 0.00 H new ATOM 429 N SER A 33 -9.741 -13.811 -2.436 1.00 0.00 N ATOM 430 CA SER A 33 -9.960 -12.471 -2.967 1.00 0.00 C ATOM 431 C SER A 33 -9.938 -11.433 -1.848 1.00 0.00 C ATOM 432 O SER A 33 -10.345 -11.711 -0.720 1.00 0.00 O ATOM 433 CB SER A 33 -11.294 -12.406 -3.712 1.00 0.00 C ATOM 434 OG SER A 33 -12.288 -13.166 -3.046 1.00 0.00 O ATOM 0 H SER A 33 -10.226 -14.002 -1.560 1.00 0.00 H new ATOM 0 HA SER A 33 -9.152 -12.247 -3.664 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.619 -11.369 -3.793 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.165 -12.780 -4.728 1.00 0.00 H new ATOM 0 HG SER A 33 -13.132 -13.107 -3.541 1.00 0.00 H new ATOM 440 N LEU A 34 -9.460 -10.236 -2.170 1.00 0.00 N ATOM 441 CA LEU A 34 -9.385 -9.155 -1.193 1.00 0.00 C ATOM 442 C LEU A 34 -9.386 -7.796 -1.885 1.00 0.00 C ATOM 443 O LEU A 34 -9.139 -7.700 -3.087 1.00 0.00 O ATOM 444 CB LEU A 34 -8.126 -9.303 -0.336 1.00 0.00 C ATOM 445 CG LEU A 34 -8.287 -10.099 0.960 1.00 0.00 C ATOM 446 CD1 LEU A 34 -6.989 -10.808 1.315 1.00 0.00 C ATOM 447 CD2 LEU A 34 -8.727 -9.187 2.096 1.00 0.00 C ATOM 0 H LEU A 34 -9.119 -9.989 -3.099 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.264 -9.216 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.354 -9.781 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.763 -8.307 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.059 -10.853 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.122 -11.369 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.717 -11.492 0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.197 -10.071 1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.836 -9.771 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.978 -8.410 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.682 -8.726 1.844 1.00 0.00 H new ATOM 459 N ARG A 35 -9.662 -6.747 -1.116 1.00 0.00 N ATOM 460 CA ARG A 35 -9.694 -5.393 -1.655 1.00 0.00 C ATOM 461 C ARG A 35 -9.031 -4.410 -0.694 1.00 0.00 C ATOM 462 O ARG A 35 -9.610 -4.035 0.325 1.00 0.00 O ATOM 463 CB ARG A 35 -11.137 -4.962 -1.925 1.00 0.00 C ATOM 464 CG ARG A 35 -11.252 -3.607 -2.603 1.00 0.00 C ATOM 465 CD ARG A 35 -12.699 -3.148 -2.690 1.00 0.00 C ATOM 466 NE ARG A 35 -12.835 -1.906 -3.447 1.00 0.00 N ATOM 467 CZ ARG A 35 -13.889 -1.103 -3.358 1.00 0.00 C ATOM 468 NH1 ARG A 35 -14.894 -1.410 -2.549 1.00 0.00 N ATOM 469 NH2 ARG A 35 -13.939 0.010 -4.079 1.00 0.00 N ATOM 0 H ARG A 35 -9.866 -6.809 -0.119 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.139 -5.389 -2.593 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.621 -5.713 -2.549 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.681 -4.934 -0.981 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.669 -2.871 -2.049 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.826 -3.663 -3.605 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.299 -3.927 -3.161 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.095 -3.005 -1.685 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.079 -1.641 -4.078 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.859 -2.265 -1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.702 -0.792 -2.482 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.168 0.249 -4.702 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.749 0.626 -4.010 1.00 0.00 H new ATOM 483 N VAL A 36 -7.811 -3.997 -1.027 1.00 0.00 N ATOM 484 CA VAL A 36 -7.069 -3.058 -0.195 1.00 0.00 C ATOM 485 C VAL A 36 -7.328 -1.619 -0.626 1.00 0.00 C ATOM 486 O VAL A 36 -7.153 -1.268 -1.793 1.00 0.00 O ATOM 487 CB VAL A 36 -5.555 -3.335 -0.251 1.00 0.00 C ATOM 488 CG1 VAL A 36 -4.771 -2.111 0.199 1.00 0.00 C ATOM 489 CG2 VAL A 36 -5.203 -4.545 0.601 1.00 0.00 C ATOM 0 H VAL A 36 -7.317 -4.298 -1.867 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.419 -3.196 0.828 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.282 -3.553 -1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.703 -2.326 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.001 -1.271 -0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.046 -1.859 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.129 -4.726 0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.490 -4.358 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.737 -5.420 0.229 1.00 0.00 H new ATOM 499 N SER A 37 -7.744 -0.788 0.324 1.00 0.00 N ATOM 500 CA SER A 37 -8.031 0.614 0.043 1.00 0.00 C ATOM 501 C SER A 37 -7.291 1.525 1.017 1.00 0.00 C ATOM 502 O SER A 37 -7.267 1.276 2.222 1.00 0.00 O ATOM 503 CB SER A 37 -9.536 0.875 0.125 1.00 0.00 C ATOM 504 OG SER A 37 -9.807 2.262 0.238 1.00 0.00 O ATOM 0 H SER A 37 -7.890 -1.061 1.296 1.00 0.00 H new ATOM 0 HA SER A 37 -7.686 0.835 -0.967 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.026 0.476 -0.763 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.954 0.348 0.983 1.00 0.00 H new ATOM 0 HG SER A 37 -9.835 2.664 -0.655 1.00 0.00 H new ATOM 510 N TRP A 38 -6.688 2.583 0.485 1.00 0.00 N ATOM 511 CA TRP A 38 -5.946 3.533 1.307 1.00 0.00 C ATOM 512 C TRP A 38 -6.364 4.965 0.994 1.00 0.00 C ATOM 513 O TRP A 38 -7.288 5.194 0.214 1.00 0.00 O ATOM 514 CB TRP A 38 -4.442 3.367 1.083 1.00 0.00 C ATOM 515 CG TRP A 38 -4.044 3.444 -0.360 1.00 0.00 C ATOM 516 CD1 TRP A 38 -3.452 4.500 -0.991 1.00 0.00 C ATOM 517 CD2 TRP A 38 -4.211 2.424 -1.350 1.00 0.00 C ATOM 518 NE1 TRP A 38 -3.241 4.199 -2.315 1.00 0.00 N ATOM 519 CE2 TRP A 38 -3.697 2.930 -2.560 1.00 0.00 C ATOM 520 CE3 TRP A 38 -4.742 1.132 -1.333 1.00 0.00 C ATOM 521 CZ2 TRP A 38 -3.701 2.189 -3.739 1.00 0.00 C ATOM 522 CZ3 TRP A 38 -4.746 0.397 -2.504 1.00 0.00 C ATOM 523 CH2 TRP A 38 -4.227 0.927 -3.693 1.00 0.00 C ATOM 0 H TRP A 38 -6.698 2.804 -0.511 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.175 3.328 2.353 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.912 4.139 1.640 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.125 2.406 1.489 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.188 5.435 -0.519 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.814 4.819 -3.003 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.142 0.715 -0.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.303 2.596 -4.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.156 -0.602 -2.502 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.243 0.327 -4.591 1.00 0.00 H new ATOM 534 N GLN A 39 -5.678 5.924 1.606 1.00 0.00 N ATOM 535 CA GLN A 39 -5.979 7.335 1.392 1.00 0.00 C ATOM 536 C GLN A 39 -4.787 8.059 0.776 1.00 0.00 C ATOM 537 O GLN A 39 -3.637 7.691 1.011 1.00 0.00 O ATOM 538 CB GLN A 39 -6.369 8.001 2.713 1.00 0.00 C ATOM 539 CG GLN A 39 -7.055 9.346 2.536 1.00 0.00 C ATOM 540 CD GLN A 39 -8.536 9.211 2.242 1.00 0.00 C ATOM 541 OE1 GLN A 39 -8.928 8.698 1.193 1.00 0.00 O ATOM 542 NE2 GLN A 39 -9.369 9.673 3.168 1.00 0.00 N ATOM 0 H GLN A 39 -4.910 5.750 2.254 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.818 7.400 0.699 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.032 7.334 3.265 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.474 8.136 3.321 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.921 9.940 3.440 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.575 9.890 1.723 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.001 10.091 4.023 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.377 9.610 3.024 1.00 0.00 H new ATOM 551 N GLU A 40 -5.071 9.090 -0.014 1.00 0.00 N ATOM 552 CA GLU A 40 -4.021 9.865 -0.664 1.00 0.00 C ATOM 553 C GLU A 40 -3.207 10.648 0.362 1.00 0.00 C ATOM 554 O GLU A 40 -3.699 11.576 1.004 1.00 0.00 O ATOM 555 CB GLU A 40 -4.626 10.824 -1.691 1.00 0.00 C ATOM 556 CG GLU A 40 -3.587 11.572 -2.511 1.00 0.00 C ATOM 557 CD GLU A 40 -4.211 12.492 -3.543 1.00 0.00 C ATOM 558 OE1 GLU A 40 -4.788 13.525 -3.145 1.00 0.00 O ATOM 559 OE2 GLU A 40 -4.123 12.178 -4.749 1.00 0.00 O ATOM 0 H GLU A 40 -6.018 9.407 -0.219 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.355 9.169 -1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.272 10.261 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.257 11.546 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.955 12.157 -1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.940 10.853 -3.014 1.00 0.00 H new ATOM 566 N PRO A 41 -1.931 10.266 0.522 1.00 0.00 N ATOM 567 CA PRO A 41 -1.022 10.919 1.468 1.00 0.00 C ATOM 568 C PRO A 41 -0.647 12.331 1.032 1.00 0.00 C ATOM 569 O PRO A 41 -0.904 12.729 -0.104 1.00 0.00 O ATOM 570 CB PRO A 41 0.211 10.011 1.459 1.00 0.00 C ATOM 571 CG PRO A 41 0.177 9.340 0.130 1.00 0.00 C ATOM 572 CD PRO A 41 -1.278 9.168 -0.210 1.00 0.00 C ATOM 0 HA PRO A 41 -1.475 11.037 2.453 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.128 10.587 1.589 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.174 9.284 2.271 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.685 9.941 -0.624 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.686 8.377 0.166 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.451 9.242 -1.284 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.653 8.195 0.107 1.00 0.00 H new ATOM 580 N ARG A 42 -0.037 13.084 1.942 1.00 0.00 N ATOM 581 CA ARG A 42 0.372 14.453 1.651 1.00 0.00 C ATOM 582 C ARG A 42 1.619 14.472 0.772 1.00 0.00 C ATOM 583 O ARG A 42 2.574 13.732 1.015 1.00 0.00 O ATOM 584 CB ARG A 42 0.639 15.215 2.950 1.00 0.00 C ATOM 585 CG ARG A 42 1.907 14.775 3.664 1.00 0.00 C ATOM 586 CD ARG A 42 2.011 15.399 5.047 1.00 0.00 C ATOM 587 NE ARG A 42 3.388 15.423 5.534 1.00 0.00 N ATOM 588 CZ ARG A 42 3.719 15.698 6.791 1.00 0.00 C ATOM 589 NH1 ARG A 42 2.777 15.971 7.683 1.00 0.00 N ATOM 590 NH2 ARG A 42 4.994 15.701 7.157 1.00 0.00 N ATOM 0 H ARG A 42 0.185 12.769 2.887 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.440 14.942 1.112 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.707 16.280 2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.210 15.082 3.620 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.918 13.689 3.752 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.777 15.056 3.070 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.619 16.416 5.016 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.389 14.839 5.745 1.00 0.00 H new ATOM 0 HE ARG A 42 4.137 15.217 4.873 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.796 15.970 7.405 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.034 16.182 8.647 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.721 15.492 6.473 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.247 15.912 8.122 1.00 0.00 H new ATOM 604 N CYS A 43 1.604 15.321 -0.250 1.00 0.00 N ATOM 605 CA CYS A 43 2.733 15.435 -1.166 1.00 0.00 C ATOM 606 C CYS A 43 2.685 16.757 -1.925 1.00 0.00 C ATOM 607 O CYS A 43 1.692 17.072 -2.580 1.00 0.00 O ATOM 608 CB CYS A 43 2.735 14.267 -2.153 1.00 0.00 C ATOM 609 SG CYS A 43 1.180 14.055 -3.051 1.00 0.00 S ATOM 0 H CYS A 43 0.822 15.940 -0.465 1.00 0.00 H new ATOM 0 HA CYS A 43 3.651 15.407 -0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.540 14.415 -2.873 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.957 13.348 -1.611 1.00 0.00 H new ATOM 0 HG CYS A 43 1.284 14.591 -4.231 1.00 0.00 H new ATOM 615 N GLU A 44 3.765 17.527 -1.830 1.00 0.00 N ATOM 616 CA GLU A 44 3.844 18.817 -2.506 1.00 0.00 C ATOM 617 C GLU A 44 3.796 18.641 -4.021 1.00 0.00 C ATOM 618 O GLU A 44 3.440 19.565 -4.753 1.00 0.00 O ATOM 619 CB GLU A 44 5.127 19.549 -2.107 1.00 0.00 C ATOM 620 CG GLU A 44 5.183 20.988 -2.591 1.00 0.00 C ATOM 621 CD GLU A 44 6.237 21.805 -1.870 1.00 0.00 C ATOM 622 OE1 GLU A 44 6.502 21.517 -0.684 1.00 0.00 O ATOM 623 OE2 GLU A 44 6.797 22.733 -2.491 1.00 0.00 O ATOM 0 H GLU A 44 4.596 17.280 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 44 2.984 19.412 -2.199 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.220 19.536 -1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.984 19.007 -2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.389 21.000 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.208 21.453 -2.449 1.00 0.00 H new ATOM 630 N ARG A 45 4.158 17.449 -4.484 1.00 0.00 N ATOM 631 CA ARG A 45 4.159 17.152 -5.911 1.00 0.00 C ATOM 632 C ARG A 45 2.976 16.261 -6.282 1.00 0.00 C ATOM 633 O ARG A 45 2.468 15.492 -5.466 1.00 0.00 O ATOM 634 CB ARG A 45 5.469 16.472 -6.312 1.00 0.00 C ATOM 635 CG ARG A 45 6.705 17.297 -5.995 1.00 0.00 C ATOM 636 CD ARG A 45 6.893 18.426 -6.997 1.00 0.00 C ATOM 637 NE ARG A 45 7.979 19.324 -6.612 1.00 0.00 N ATOM 638 CZ ARG A 45 9.265 19.009 -6.720 1.00 0.00 C ATOM 639 NH1 ARG A 45 9.624 17.826 -7.198 1.00 0.00 N ATOM 640 NH2 ARG A 45 10.195 19.880 -6.349 1.00 0.00 N ATOM 0 H ARG A 45 4.454 16.673 -3.891 1.00 0.00 H new ATOM 0 HA ARG A 45 4.067 18.094 -6.452 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.542 15.512 -5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.447 16.262 -7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.620 17.711 -4.990 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.585 16.653 -6.001 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.101 18.006 -7.981 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.966 18.993 -7.082 1.00 0.00 H new ATOM 0 HE ARG A 45 7.737 20.242 -6.240 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.912 17.154 -7.484 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.612 17.587 -7.280 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.922 20.791 -5.981 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.182 19.638 -6.432 1.00 0.00 H new ATOM 654 N PRO A 46 2.527 16.366 -7.541 1.00 0.00 N ATOM 655 CA PRO A 46 1.400 15.578 -8.048 1.00 0.00 C ATOM 656 C PRO A 46 1.745 14.100 -8.191 1.00 0.00 C ATOM 657 O PRO A 46 2.730 13.741 -8.837 1.00 0.00 O ATOM 658 CB PRO A 46 1.123 16.197 -9.420 1.00 0.00 C ATOM 659 CG PRO A 46 2.422 16.798 -9.834 1.00 0.00 C ATOM 660 CD PRO A 46 3.085 17.263 -8.567 1.00 0.00 C ATOM 0 HA PRO A 46 0.546 15.607 -7.372 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.790 15.444 -10.134 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.338 16.951 -9.363 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.042 16.068 -10.354 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.266 17.630 -10.521 1.00 0.00 H new ATOM 0 HD2 PRO A 46 4.170 17.179 -8.627 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.857 18.308 -8.354 1.00 0.00 H new ATOM 668 N LEU A 47 0.927 13.245 -7.585 1.00 0.00 N ATOM 669 CA LEU A 47 1.145 11.804 -7.645 1.00 0.00 C ATOM 670 C LEU A 47 0.889 11.273 -9.051 1.00 0.00 C ATOM 671 O LEU A 47 0.057 11.807 -9.784 1.00 0.00 O ATOM 672 CB LEU A 47 0.237 11.089 -6.644 1.00 0.00 C ATOM 673 CG LEU A 47 0.333 11.561 -5.193 1.00 0.00 C ATOM 674 CD1 LEU A 47 -0.901 11.140 -4.411 1.00 0.00 C ATOM 675 CD2 LEU A 47 1.594 11.016 -4.537 1.00 0.00 C ATOM 0 H LEU A 47 0.107 13.525 -7.047 1.00 0.00 H new ATOM 0 HA LEU A 47 2.186 11.608 -7.386 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.795 11.204 -6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.465 10.024 -6.674 1.00 0.00 H new ATOM 0 HG LEU A 47 0.386 12.650 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.814 11.485 -3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.788 11.579 -4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.987 10.053 -4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.646 11.362 -3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.571 9.926 -4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.469 11.369 -5.082 1.00 0.00 H new ATOM 687 N GLN A 48 1.608 10.218 -9.420 1.00 0.00 N ATOM 688 CA GLN A 48 1.457 9.614 -10.738 1.00 0.00 C ATOM 689 C GLN A 48 0.691 8.298 -10.650 1.00 0.00 C ATOM 690 O GLN A 48 0.090 7.851 -11.625 1.00 0.00 O ATOM 691 CB GLN A 48 2.828 9.378 -11.375 1.00 0.00 C ATOM 692 CG GLN A 48 3.701 10.621 -11.417 1.00 0.00 C ATOM 693 CD GLN A 48 4.607 10.740 -10.207 1.00 0.00 C ATOM 694 OE1 GLN A 48 4.274 10.266 -9.120 1.00 0.00 O ATOM 695 NE2 GLN A 48 5.759 11.374 -10.389 1.00 0.00 N ATOM 0 H GLN A 48 2.301 9.764 -8.825 1.00 0.00 H new ATOM 0 HA GLN A 48 0.888 10.303 -11.362 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.348 8.598 -10.820 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.689 9.007 -12.391 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.310 10.602 -12.321 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.066 11.505 -11.479 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.994 11.751 -11.307 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.409 11.484 -9.611 1.00 0.00 H new ATOM 704 N GLY A 49 0.718 7.681 -9.472 1.00 0.00 N ATOM 705 CA GLY A 49 0.023 6.422 -9.277 1.00 0.00 C ATOM 706 C GLY A 49 0.168 5.892 -7.865 1.00 0.00 C ATOM 707 O GLY A 49 0.214 6.663 -6.906 1.00 0.00 O ATOM 0 H GLY A 49 1.209 8.031 -8.649 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.035 6.555 -9.505 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.410 5.684 -9.980 1.00 0.00 H new ATOM 711 N TYR A 50 0.238 4.572 -7.735 1.00 0.00 N ATOM 712 CA TYR A 50 0.375 3.939 -6.428 1.00 0.00 C ATOM 713 C TYR A 50 1.005 2.555 -6.556 1.00 0.00 C ATOM 714 O TYR A 50 1.133 2.018 -7.657 1.00 0.00 O ATOM 715 CB TYR A 50 -0.990 3.828 -5.747 1.00 0.00 C ATOM 716 CG TYR A 50 -1.538 5.154 -5.270 1.00 0.00 C ATOM 717 CD1 TYR A 50 -0.967 5.816 -4.190 1.00 0.00 C ATOM 718 CD2 TYR A 50 -2.628 5.744 -5.898 1.00 0.00 C ATOM 719 CE1 TYR A 50 -1.464 7.027 -3.750 1.00 0.00 C ATOM 720 CE2 TYR A 50 -3.131 6.956 -5.465 1.00 0.00 C ATOM 721 CZ TYR A 50 -2.546 7.593 -4.391 1.00 0.00 C ATOM 722 OH TYR A 50 -3.045 8.800 -3.957 1.00 0.00 O ATOM 0 H TYR A 50 0.202 3.919 -8.518 1.00 0.00 H new ATOM 0 HA TYR A 50 1.029 4.562 -5.818 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.699 3.381 -6.444 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.909 3.151 -4.897 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.120 5.376 -3.686 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.090 5.247 -6.738 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.008 7.528 -2.909 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.978 7.402 -5.965 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.806 9.060 -4.517 1.00 0.00 H new ATOM 732 N SER A 51 1.398 1.984 -5.423 1.00 0.00 N ATOM 733 CA SER A 51 2.019 0.665 -5.406 1.00 0.00 C ATOM 734 C SER A 51 1.555 -0.139 -4.195 1.00 0.00 C ATOM 735 O SER A 51 1.445 0.390 -3.089 1.00 0.00 O ATOM 736 CB SER A 51 3.543 0.795 -5.393 1.00 0.00 C ATOM 737 OG SER A 51 4.154 -0.412 -4.971 1.00 0.00 O ATOM 0 H SER A 51 1.297 2.414 -4.504 1.00 0.00 H new ATOM 0 HA SER A 51 1.715 0.136 -6.309 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.897 1.056 -6.390 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.836 1.607 -4.727 1.00 0.00 H new ATOM 0 HG SER A 51 5.128 -0.304 -4.973 1.00 0.00 H new ATOM 743 N VAL A 52 1.283 -1.422 -4.413 1.00 0.00 N ATOM 744 CA VAL A 52 0.832 -2.300 -3.340 1.00 0.00 C ATOM 745 C VAL A 52 1.645 -3.590 -3.308 1.00 0.00 C ATOM 746 O VAL A 52 1.450 -4.479 -4.136 1.00 0.00 O ATOM 747 CB VAL A 52 -0.660 -2.651 -3.492 1.00 0.00 C ATOM 748 CG1 VAL A 52 -1.169 -3.370 -2.252 1.00 0.00 C ATOM 749 CG2 VAL A 52 -1.477 -1.396 -3.764 1.00 0.00 C ATOM 0 H VAL A 52 1.367 -1.876 -5.323 1.00 0.00 H new ATOM 0 HA VAL A 52 0.977 -1.758 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.773 -3.322 -4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.225 -3.610 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.603 -4.290 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.045 -2.726 -1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.529 -1.662 -3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.360 -0.699 -2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.128 -0.927 -4.684 1.00 0.00 H new ATOM 759 N GLU A 53 2.556 -3.684 -2.345 1.00 0.00 N ATOM 760 CA GLU A 53 3.399 -4.866 -2.205 1.00 0.00 C ATOM 761 C GLU A 53 2.874 -5.781 -1.102 1.00 0.00 C ATOM 762 O GLU A 53 2.849 -5.407 0.070 1.00 0.00 O ATOM 763 CB GLU A 53 4.842 -4.457 -1.899 1.00 0.00 C ATOM 764 CG GLU A 53 5.678 -4.203 -3.142 1.00 0.00 C ATOM 765 CD GLU A 53 6.974 -3.478 -2.834 1.00 0.00 C ATOM 766 OE1 GLU A 53 6.951 -2.552 -1.997 1.00 0.00 O ATOM 767 OE2 GLU A 53 8.011 -3.837 -3.431 1.00 0.00 O ATOM 0 H GLU A 53 2.729 -2.957 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 53 3.375 -5.412 -3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.833 -3.555 -1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.315 -5.240 -1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.904 -5.154 -3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.097 -3.615 -3.853 1.00 0.00 H new ATOM 774 N TYR A 54 2.455 -6.981 -1.488 1.00 0.00 N ATOM 775 CA TYR A 54 1.927 -7.949 -0.534 1.00 0.00 C ATOM 776 C TYR A 54 2.689 -9.268 -0.619 1.00 0.00 C ATOM 777 O TYR A 54 3.105 -9.689 -1.698 1.00 0.00 O ATOM 778 CB TYR A 54 0.439 -8.190 -0.791 1.00 0.00 C ATOM 779 CG TYR A 54 0.167 -9.111 -1.959 1.00 0.00 C ATOM 780 CD1 TYR A 54 0.198 -10.492 -1.802 1.00 0.00 C ATOM 781 CD2 TYR A 54 -0.120 -8.601 -3.219 1.00 0.00 C ATOM 782 CE1 TYR A 54 -0.049 -11.337 -2.867 1.00 0.00 C ATOM 783 CE2 TYR A 54 -0.370 -9.439 -4.288 1.00 0.00 C ATOM 784 CZ TYR A 54 -0.333 -10.806 -4.107 1.00 0.00 C ATOM 785 OH TYR A 54 -0.580 -11.643 -5.171 1.00 0.00 O ATOM 0 H TYR A 54 2.471 -7.307 -2.455 1.00 0.00 H new ATOM 0 HA TYR A 54 2.054 -7.540 0.468 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.012 -8.613 0.107 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.049 -7.233 -0.973 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.419 -10.911 -0.832 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.148 -7.531 -3.365 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.020 -12.408 -2.729 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.593 -9.026 -5.261 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.763 -11.109 -5.972 1.00 0.00 H new ATOM 795 N GLN A 55 2.868 -9.916 0.528 1.00 0.00 N ATOM 796 CA GLN A 55 3.580 -11.187 0.585 1.00 0.00 C ATOM 797 C GLN A 55 3.262 -11.932 1.877 1.00 0.00 C ATOM 798 O GLN A 55 2.923 -11.321 2.891 1.00 0.00 O ATOM 799 CB GLN A 55 5.088 -10.957 0.473 1.00 0.00 C ATOM 800 CG GLN A 55 5.737 -10.533 1.780 1.00 0.00 C ATOM 801 CD GLN A 55 7.093 -9.886 1.576 1.00 0.00 C ATOM 802 OE1 GLN A 55 7.259 -8.685 1.793 1.00 0.00 O ATOM 803 NE2 GLN A 55 8.071 -10.680 1.156 1.00 0.00 N ATOM 0 H GLN A 55 2.530 -9.581 1.430 1.00 0.00 H new ATOM 0 HA GLN A 55 3.249 -11.797 -0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.562 -11.874 0.122 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.276 -10.193 -0.281 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.080 -9.834 2.298 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.848 -11.404 2.425 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.888 -11.670 0.989 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.005 -10.300 1.001 1.00 0.00 H new ATOM 812 N LEU A 56 3.373 -13.255 1.834 1.00 0.00 N ATOM 813 CA LEU A 56 3.097 -14.085 3.001 1.00 0.00 C ATOM 814 C LEU A 56 3.614 -13.422 4.274 1.00 0.00 C ATOM 815 O LEU A 56 4.819 -13.231 4.442 1.00 0.00 O ATOM 816 CB LEU A 56 3.736 -15.464 2.834 1.00 0.00 C ATOM 817 CG LEU A 56 2.883 -16.518 2.128 1.00 0.00 C ATOM 818 CD1 LEU A 56 3.720 -17.743 1.790 1.00 0.00 C ATOM 819 CD2 LEU A 56 1.692 -16.907 2.992 1.00 0.00 C ATOM 0 H LEU A 56 3.652 -13.776 1.003 1.00 0.00 H new ATOM 0 HA LEU A 56 2.017 -14.201 3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.666 -15.346 2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.001 -15.842 3.822 1.00 0.00 H new ATOM 0 HG LEU A 56 2.508 -16.090 1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.096 -18.483 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.540 -17.453 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.124 -18.172 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.096 -17.658 2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.047 -17.315 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.079 -16.027 3.184 1.00 0.00 H new ATOM 831 N LEU A 57 2.696 -13.077 5.170 1.00 0.00 N ATOM 832 CA LEU A 57 3.059 -12.438 6.430 1.00 0.00 C ATOM 833 C LEU A 57 4.308 -13.080 7.027 1.00 0.00 C ATOM 834 O LEU A 57 5.276 -12.395 7.350 1.00 0.00 O ATOM 835 CB LEU A 57 1.900 -12.530 7.424 1.00 0.00 C ATOM 836 CG LEU A 57 1.902 -11.500 8.554 1.00 0.00 C ATOM 837 CD1 LEU A 57 2.955 -11.850 9.594 1.00 0.00 C ATOM 838 CD2 LEU A 57 2.139 -10.102 8.002 1.00 0.00 C ATOM 0 H LEU A 57 1.695 -13.229 5.047 1.00 0.00 H new ATOM 0 HA LEU A 57 3.274 -11.389 6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.965 -12.432 6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.906 -13.526 7.867 1.00 0.00 H new ATOM 0 HG LEU A 57 0.925 -11.517 9.036 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.941 -11.106 10.390 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.740 -12.833 10.013 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.939 -11.862 9.126 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.137 -9.382 8.821 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.102 -10.070 7.493 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.347 -9.851 7.296 1.00 0.00 H new ATOM 850 N ASN A 58 4.277 -14.402 7.168 1.00 0.00 N ATOM 851 CA ASN A 58 5.407 -15.137 7.724 1.00 0.00 C ATOM 852 C ASN A 58 6.656 -14.943 6.869 1.00 0.00 C ATOM 853 O ASN A 58 7.745 -14.707 7.389 1.00 0.00 O ATOM 854 CB ASN A 58 5.072 -16.627 7.826 1.00 0.00 C ATOM 855 CG ASN A 58 4.764 -17.244 6.476 1.00 0.00 C ATOM 856 OD1 ASN A 58 5.669 -17.555 5.702 1.00 0.00 O ATOM 857 ND2 ASN A 58 3.480 -17.425 6.187 1.00 0.00 N ATOM 0 H ASN A 58 3.482 -14.985 6.905 1.00 0.00 H new ATOM 0 HA ASN A 58 5.607 -14.747 8.722 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.910 -17.155 8.281 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.215 -16.760 8.487 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.212 -17.837 5.293 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.763 -17.152 6.859 1.00 0.00 H new ATOM 864 N GLY A 59 6.488 -15.044 5.554 1.00 0.00 N ATOM 865 CA GLY A 59 7.610 -14.877 4.649 1.00 0.00 C ATOM 866 C GLY A 59 7.500 -15.758 3.420 1.00 0.00 C ATOM 867 O GLY A 59 7.269 -16.961 3.530 1.00 0.00 O ATOM 0 H GLY A 59 5.596 -15.238 5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.671 -13.834 4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.536 -15.108 5.176 1.00 0.00 H new ATOM 871 N GLY A 60 7.663 -15.157 2.245 1.00 0.00 N ATOM 872 CA GLY A 60 7.575 -15.910 1.008 1.00 0.00 C ATOM 873 C GLY A 60 7.560 -15.015 -0.215 1.00 0.00 C ATOM 874 O GLY A 60 7.920 -13.841 -0.137 1.00 0.00 O ATOM 0 H GLY A 60 7.854 -14.162 2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.420 -16.595 0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.671 -16.519 1.020 1.00 0.00 H new ATOM 878 N GLU A 61 7.143 -15.571 -1.349 1.00 0.00 N ATOM 879 CA GLU A 61 7.086 -14.815 -2.594 1.00 0.00 C ATOM 880 C GLU A 61 6.456 -13.444 -2.369 1.00 0.00 C ATOM 881 O GLU A 61 5.485 -13.309 -1.623 1.00 0.00 O ATOM 882 CB GLU A 61 6.291 -15.587 -3.649 1.00 0.00 C ATOM 883 CG GLU A 61 6.151 -14.846 -4.968 1.00 0.00 C ATOM 884 CD GLU A 61 5.799 -15.768 -6.120 1.00 0.00 C ATOM 885 OE1 GLU A 61 6.478 -16.803 -6.280 1.00 0.00 O ATOM 886 OE2 GLU A 61 4.844 -15.453 -6.861 1.00 0.00 O ATOM 0 H GLU A 61 6.840 -16.542 -1.430 1.00 0.00 H new ATOM 0 HA GLU A 61 8.106 -14.673 -2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.778 -16.545 -3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.298 -15.804 -3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.380 -14.081 -4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.085 -14.331 -5.192 1.00 0.00 H new ATOM 893 N LEU A 62 7.015 -12.428 -3.018 1.00 0.00 N ATOM 894 CA LEU A 62 6.509 -11.066 -2.890 1.00 0.00 C ATOM 895 C LEU A 62 5.788 -10.631 -4.162 1.00 0.00 C ATOM 896 O LEU A 62 6.238 -10.915 -5.272 1.00 0.00 O ATOM 897 CB LEU A 62 7.656 -10.102 -2.585 1.00 0.00 C ATOM 898 CG LEU A 62 7.383 -8.624 -2.865 1.00 0.00 C ATOM 899 CD1 LEU A 62 6.178 -8.144 -2.070 1.00 0.00 C ATOM 900 CD2 LEU A 62 8.609 -7.783 -2.538 1.00 0.00 C ATOM 0 H LEU A 62 7.819 -12.522 -3.638 1.00 0.00 H new ATOM 0 HA LEU A 62 5.796 -11.045 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.924 -10.209 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.525 -10.407 -3.168 1.00 0.00 H new ATOM 0 HG LEU A 62 7.162 -8.510 -3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.999 -7.090 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.300 -8.725 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.370 -8.272 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.396 -6.734 -2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.862 -7.902 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.449 -8.110 -3.152 1.00 0.00 H new ATOM 912 N HIS A 63 4.666 -9.938 -3.992 1.00 0.00 N ATOM 913 CA HIS A 63 3.884 -9.460 -5.126 1.00 0.00 C ATOM 914 C HIS A 63 3.785 -7.938 -5.116 1.00 0.00 C ATOM 915 O HIS A 63 3.265 -7.346 -4.170 1.00 0.00 O ATOM 916 CB HIS A 63 2.483 -10.074 -5.101 1.00 0.00 C ATOM 917 CG HIS A 63 2.472 -11.551 -5.350 1.00 0.00 C ATOM 918 ND1 HIS A 63 2.274 -12.102 -6.598 1.00 0.00 N ATOM 919 CD2 HIS A 63 2.637 -12.593 -4.502 1.00 0.00 C ATOM 920 CE1 HIS A 63 2.316 -13.419 -6.507 1.00 0.00 C ATOM 921 NE2 HIS A 63 2.536 -13.743 -5.246 1.00 0.00 N ATOM 0 H HIS A 63 4.279 -9.695 -3.080 1.00 0.00 H new ATOM 0 HA HIS A 63 4.392 -9.767 -6.040 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.025 -9.874 -4.133 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.866 -9.582 -5.853 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.815 -12.532 -3.439 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.192 -14.113 -7.325 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.618 -14.693 -4.883 1.00 0.00 H new ATOM 929 N ARG A 64 4.289 -7.310 -6.174 1.00 0.00 N ATOM 930 CA ARG A 64 4.259 -5.856 -6.285 1.00 0.00 C ATOM 931 C ARG A 64 3.225 -5.411 -7.315 1.00 0.00 C ATOM 932 O ARG A 64 3.328 -5.742 -8.497 1.00 0.00 O ATOM 933 CB ARG A 64 5.641 -5.325 -6.671 1.00 0.00 C ATOM 934 CG ARG A 64 5.708 -3.809 -6.758 1.00 0.00 C ATOM 935 CD ARG A 64 7.146 -3.315 -6.784 1.00 0.00 C ATOM 936 NE ARG A 64 7.702 -3.324 -8.135 1.00 0.00 N ATOM 937 CZ ARG A 64 7.444 -2.388 -9.042 1.00 0.00 C ATOM 938 NH1 ARG A 64 6.642 -1.375 -8.745 1.00 0.00 N ATOM 939 NH2 ARG A 64 7.988 -2.465 -10.249 1.00 0.00 N ATOM 0 H ARG A 64 4.723 -7.785 -6.966 1.00 0.00 H new ATOM 0 HA ARG A 64 3.978 -5.448 -5.314 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.371 -5.671 -5.940 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.928 -5.749 -7.633 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.190 -3.472 -7.656 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.187 -3.371 -5.906 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.189 -2.303 -6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.757 -3.943 -6.136 1.00 0.00 H new ATOM 0 HE ARG A 64 8.322 -4.091 -8.396 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.221 -1.313 -7.818 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.446 -0.658 -9.443 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.605 -3.243 -10.482 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.789 -1.746 -10.945 1.00 0.00 H new ATOM 953 N LEU A 65 2.229 -4.659 -6.859 1.00 0.00 N ATOM 954 CA LEU A 65 1.176 -4.168 -7.740 1.00 0.00 C ATOM 955 C LEU A 65 1.354 -2.681 -8.026 1.00 0.00 C ATOM 956 O LEU A 65 1.614 -1.891 -7.120 1.00 0.00 O ATOM 957 CB LEU A 65 -0.198 -4.417 -7.114 1.00 0.00 C ATOM 958 CG LEU A 65 -0.497 -5.860 -6.703 1.00 0.00 C ATOM 959 CD1 LEU A 65 -1.707 -5.913 -5.784 1.00 0.00 C ATOM 960 CD2 LEU A 65 -0.720 -6.728 -7.933 1.00 0.00 C ATOM 0 H LEU A 65 2.129 -4.376 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 65 1.243 -4.711 -8.683 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.294 -3.782 -6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.962 -4.097 -7.823 1.00 0.00 H new ATOM 0 HG LEU A 65 0.363 -6.249 -6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.905 -6.947 -5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.510 -5.324 -4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.575 -5.506 -6.302 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.931 -7.751 -7.623 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.564 -6.340 -8.504 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.175 -6.715 -8.555 1.00 0.00 H new ATOM 972 N ASN A 66 1.211 -2.306 -9.293 1.00 0.00 N ATOM 973 CA ASN A 66 1.355 -0.913 -9.699 1.00 0.00 C ATOM 974 C ASN A 66 0.015 -0.334 -10.143 1.00 0.00 C ATOM 975 O ASN A 66 -0.777 -1.010 -10.801 1.00 0.00 O ATOM 976 CB ASN A 66 2.375 -0.793 -10.833 1.00 0.00 C ATOM 977 CG ASN A 66 3.793 -1.060 -10.365 1.00 0.00 C ATOM 978 OD1 ASN A 66 4.257 -0.474 -9.387 1.00 0.00 O ATOM 979 ND2 ASN A 66 4.489 -1.949 -11.065 1.00 0.00 N ATOM 0 H ASN A 66 0.996 -2.948 -10.056 1.00 0.00 H new ATOM 0 HA ASN A 66 1.709 -0.345 -8.839 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.118 -1.496 -11.625 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.320 0.207 -11.264 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.448 -2.170 -10.798 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.064 -2.411 -11.869 1.00 0.00 H new ATOM 986 N ILE A 67 -0.232 0.920 -9.780 1.00 0.00 N ATOM 987 CA ILE A 67 -1.474 1.590 -10.142 1.00 0.00 C ATOM 988 C ILE A 67 -1.221 2.720 -11.134 1.00 0.00 C ATOM 989 O ILE A 67 -0.712 3.785 -10.783 1.00 0.00 O ATOM 990 CB ILE A 67 -2.189 2.160 -8.903 1.00 0.00 C ATOM 991 CG1 ILE A 67 -2.076 1.185 -7.729 1.00 0.00 C ATOM 992 CG2 ILE A 67 -3.648 2.450 -9.219 1.00 0.00 C ATOM 993 CD1 ILE A 67 -2.780 -0.132 -7.967 1.00 0.00 C ATOM 0 H ILE A 67 0.412 1.493 -9.235 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.113 0.839 -10.606 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.706 3.096 -8.622 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.022 0.993 -7.527 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.491 1.654 -6.837 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.139 2.852 -8.333 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.707 3.177 -10.029 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.145 1.528 -9.522 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.658 -0.773 -7.094 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.841 0.049 -8.139 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.349 -0.622 -8.840 1.00 0.00 H new ATOM 1005 N PRO A 68 -1.586 2.486 -12.403 1.00 0.00 N ATOM 1006 CA PRO A 68 -1.410 3.474 -13.472 1.00 0.00 C ATOM 1007 C PRO A 68 -2.347 4.666 -13.320 1.00 0.00 C ATOM 1008 O PRO A 68 -2.388 5.549 -14.175 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.747 2.687 -14.741 1.00 0.00 C ATOM 1010 CG PRO A 68 -2.652 1.596 -14.281 1.00 0.00 C ATOM 1011 CD PRO A 68 -2.198 1.240 -12.893 1.00 0.00 C ATOM 0 HA PRO A 68 -0.407 3.900 -13.472 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.235 3.320 -15.482 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.848 2.285 -15.208 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.691 1.925 -14.279 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.592 0.733 -14.945 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.033 0.928 -12.265 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.482 0.418 -12.903 1.00 0.00 H new ATOM 1019 N ASN A 69 -3.099 4.686 -12.224 1.00 0.00 N ATOM 1020 CA ASN A 69 -4.037 5.771 -11.960 1.00 0.00 C ATOM 1021 C ASN A 69 -3.848 6.322 -10.550 1.00 0.00 C ATOM 1022 O ASN A 69 -4.075 5.637 -9.553 1.00 0.00 O ATOM 1023 CB ASN A 69 -5.477 5.284 -12.139 1.00 0.00 C ATOM 1024 CG ASN A 69 -6.459 6.428 -12.295 1.00 0.00 C ATOM 1025 OD1 ASN A 69 -6.162 7.432 -12.942 1.00 0.00 O ATOM 1026 ND2 ASN A 69 -7.637 6.282 -11.700 1.00 0.00 N ATOM 0 H ASN A 69 -3.077 3.963 -11.505 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.839 6.570 -12.674 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.533 4.639 -13.016 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.762 4.679 -11.279 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.338 7.019 -11.769 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.841 5.432 -11.174 1.00 0.00 H new ATOM 1033 N PRO A 70 -3.422 7.591 -10.463 1.00 0.00 N ATOM 1034 CA PRO A 70 -3.193 8.264 -9.181 1.00 0.00 C ATOM 1035 C PRO A 70 -4.492 8.546 -8.435 1.00 0.00 C ATOM 1036 O PRO A 70 -4.478 9.065 -7.319 1.00 0.00 O ATOM 1037 CB PRO A 70 -2.512 9.574 -9.585 1.00 0.00 C ATOM 1038 CG PRO A 70 -2.967 9.823 -10.981 1.00 0.00 C ATOM 1039 CD PRO A 70 -3.131 8.467 -11.611 1.00 0.00 C ATOM 0 HA PRO A 70 -2.601 7.653 -8.499 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.800 10.391 -8.923 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.427 9.489 -9.532 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.907 10.375 -10.993 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.239 10.422 -11.528 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.942 8.458 -12.339 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.228 8.156 -12.135 1.00 0.00 H new ATOM 1047 N ALA A 71 -5.614 8.201 -9.058 1.00 0.00 N ATOM 1048 CA ALA A 71 -6.922 8.416 -8.451 1.00 0.00 C ATOM 1049 C ALA A 71 -7.412 7.156 -7.745 1.00 0.00 C ATOM 1050 O ALA A 71 -8.128 7.233 -6.747 1.00 0.00 O ATOM 1051 CB ALA A 71 -7.927 8.857 -9.505 1.00 0.00 C ATOM 0 H ALA A 71 -5.644 7.771 -9.983 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.824 9.205 -7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.899 9.014 -9.038 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.590 9.787 -9.962 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.013 8.086 -10.271 1.00 0.00 H new ATOM 1057 N GLN A 72 -7.023 5.999 -8.270 1.00 0.00 N ATOM 1058 CA GLN A 72 -7.425 4.723 -7.689 1.00 0.00 C ATOM 1059 C GLN A 72 -6.579 4.392 -6.464 1.00 0.00 C ATOM 1060 O GLN A 72 -5.443 3.933 -6.586 1.00 0.00 O ATOM 1061 CB GLN A 72 -7.301 3.606 -8.726 1.00 0.00 C ATOM 1062 CG GLN A 72 -7.503 2.214 -8.148 1.00 0.00 C ATOM 1063 CD GLN A 72 -6.984 1.122 -9.062 1.00 0.00 C ATOM 1064 OE1 GLN A 72 -7.007 1.257 -10.285 1.00 0.00 O ATOM 1065 NE2 GLN A 72 -6.513 0.030 -8.471 1.00 0.00 N ATOM 0 H GLN A 72 -6.430 5.918 -9.096 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.466 4.806 -7.377 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.033 3.772 -9.516 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.315 3.659 -9.189 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.997 2.148 -7.185 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.565 2.053 -7.962 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.513 -0.039 -7.453 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.151 -0.739 -9.035 1.00 0.00 H new ATOM 1074 N THR A 73 -7.141 4.629 -5.282 1.00 0.00 N ATOM 1075 CA THR A 73 -6.438 4.358 -4.035 1.00 0.00 C ATOM 1076 C THR A 73 -6.851 3.011 -3.453 1.00 0.00 C ATOM 1077 O THR A 73 -6.645 2.746 -2.268 1.00 0.00 O ATOM 1078 CB THR A 73 -6.703 5.458 -2.990 1.00 0.00 C ATOM 1079 OG1 THR A 73 -8.108 5.563 -2.734 1.00 0.00 O ATOM 1080 CG2 THR A 73 -6.168 6.800 -3.469 1.00 0.00 C ATOM 0 H THR A 73 -8.081 5.008 -5.163 1.00 0.00 H new ATOM 0 HA THR A 73 -5.374 4.339 -4.270 1.00 0.00 H new ATOM 0 HB THR A 73 -6.186 5.186 -2.070 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.269 5.513 -1.769 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.367 7.561 -2.715 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.093 6.725 -3.635 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.660 7.076 -4.401 1.00 0.00 H new ATOM 1088 N SER A 74 -7.435 2.162 -4.293 1.00 0.00 N ATOM 1089 CA SER A 74 -7.880 0.843 -3.861 1.00 0.00 C ATOM 1090 C SER A 74 -7.681 -0.187 -4.968 1.00 0.00 C ATOM 1091 O SER A 74 -7.955 0.081 -6.138 1.00 0.00 O ATOM 1092 CB SER A 74 -9.352 0.888 -3.448 1.00 0.00 C ATOM 1093 OG SER A 74 -9.604 1.974 -2.574 1.00 0.00 O ATOM 0 H SER A 74 -7.611 2.365 -5.277 1.00 0.00 H new ATOM 0 HA SER A 74 -7.278 0.547 -3.002 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.979 0.978 -4.335 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.624 -0.047 -2.959 1.00 0.00 H new ATOM 0 HG SER A 74 -10.552 1.981 -2.326 1.00 0.00 H new ATOM 1099 N VAL A 75 -7.203 -1.369 -4.591 1.00 0.00 N ATOM 1100 CA VAL A 75 -6.969 -2.441 -5.550 1.00 0.00 C ATOM 1101 C VAL A 75 -7.465 -3.778 -5.012 1.00 0.00 C ATOM 1102 O VAL A 75 -7.395 -4.042 -3.812 1.00 0.00 O ATOM 1103 CB VAL A 75 -5.474 -2.564 -5.900 1.00 0.00 C ATOM 1104 CG1 VAL A 75 -4.660 -2.897 -4.659 1.00 0.00 C ATOM 1105 CG2 VAL A 75 -5.265 -3.613 -6.982 1.00 0.00 C ATOM 0 H VAL A 75 -6.970 -1.608 -3.627 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.526 -2.186 -6.451 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.129 -1.604 -6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.607 -2.980 -4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.785 -2.107 -3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.004 -3.843 -4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.203 -3.687 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.626 -4.578 -6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.816 -3.326 -7.878 1.00 0.00 H new ATOM 1115 N VAL A 76 -7.966 -4.622 -5.910 1.00 0.00 N ATOM 1116 CA VAL A 76 -8.473 -5.934 -5.526 1.00 0.00 C ATOM 1117 C VAL A 76 -7.399 -7.005 -5.681 1.00 0.00 C ATOM 1118 O VAL A 76 -6.898 -7.242 -6.780 1.00 0.00 O ATOM 1119 CB VAL A 76 -9.702 -6.329 -6.367 1.00 0.00 C ATOM 1120 CG1 VAL A 76 -10.143 -7.746 -6.035 1.00 0.00 C ATOM 1121 CG2 VAL A 76 -10.838 -5.342 -6.146 1.00 0.00 C ATOM 0 H VAL A 76 -8.031 -4.420 -6.908 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.766 -5.866 -4.478 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.425 -6.298 -7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -11.012 -8.007 -6.639 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.330 -8.440 -6.250 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.403 -7.808 -4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.698 -5.636 -6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -11.117 -5.338 -5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.515 -4.343 -6.439 1.00 0.00 H new ATOM 1131 N VAL A 77 -7.050 -7.649 -4.572 1.00 0.00 N ATOM 1132 CA VAL A 77 -6.036 -8.697 -4.584 1.00 0.00 C ATOM 1133 C VAL A 77 -6.676 -10.080 -4.606 1.00 0.00 C ATOM 1134 O VAL A 77 -7.522 -10.397 -3.771 1.00 0.00 O ATOM 1135 CB VAL A 77 -5.107 -8.593 -3.360 1.00 0.00 C ATOM 1136 CG1 VAL A 77 -4.061 -9.697 -3.388 1.00 0.00 C ATOM 1137 CG2 VAL A 77 -4.447 -7.223 -3.307 1.00 0.00 C ATOM 0 H VAL A 77 -7.454 -7.464 -3.654 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.447 -8.558 -5.491 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.707 -8.717 -2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.414 -9.607 -2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.556 -10.668 -3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.462 -9.608 -4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.794 -7.167 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.859 -7.067 -4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.214 -6.452 -3.235 1.00 0.00 H new ATOM 1147 N GLU A 78 -6.264 -10.901 -5.567 1.00 0.00 N ATOM 1148 CA GLU A 78 -6.798 -12.252 -5.698 1.00 0.00 C ATOM 1149 C GLU A 78 -5.672 -13.270 -5.849 1.00 0.00 C ATOM 1150 O GLU A 78 -4.493 -12.919 -5.801 1.00 0.00 O ATOM 1151 CB GLU A 78 -7.742 -12.337 -6.900 1.00 0.00 C ATOM 1152 CG GLU A 78 -8.943 -11.412 -6.797 1.00 0.00 C ATOM 1153 CD GLU A 78 -10.067 -11.810 -7.734 1.00 0.00 C ATOM 1154 OE1 GLU A 78 -10.169 -13.011 -8.062 1.00 0.00 O ATOM 1155 OE2 GLU A 78 -10.845 -10.921 -8.139 1.00 0.00 O ATOM 0 H GLU A 78 -5.563 -10.655 -6.266 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.355 -12.484 -4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.186 -12.097 -7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.093 -13.364 -7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.312 -11.414 -5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.632 -10.392 -7.022 1.00 0.00 H new ATOM 1162 N ASP A 79 -6.044 -14.532 -6.032 1.00 0.00 N ATOM 1163 CA ASP A 79 -5.066 -15.602 -6.190 1.00 0.00 C ATOM 1164 C ASP A 79 -4.198 -15.735 -4.942 1.00 0.00 C ATOM 1165 O ASP A 79 -2.972 -15.812 -5.031 1.00 0.00 O ATOM 1166 CB ASP A 79 -4.186 -15.340 -7.413 1.00 0.00 C ATOM 1167 CG ASP A 79 -3.627 -16.618 -8.009 1.00 0.00 C ATOM 1168 OD1 ASP A 79 -4.304 -17.214 -8.872 1.00 0.00 O ATOM 1169 OD2 ASP A 79 -2.514 -17.022 -7.611 1.00 0.00 O ATOM 0 H ASP A 79 -7.016 -14.839 -6.075 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.607 -16.537 -6.335 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.768 -14.814 -8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.363 -14.684 -7.131 1.00 0.00 H new ATOM 1174 N LEU A 80 -4.842 -15.760 -3.781 1.00 0.00 N ATOM 1175 CA LEU A 80 -4.129 -15.882 -2.514 1.00 0.00 C ATOM 1176 C LEU A 80 -4.274 -17.289 -1.941 1.00 0.00 C ATOM 1177 O LEU A 80 -4.894 -18.159 -2.553 1.00 0.00 O ATOM 1178 CB LEU A 80 -4.653 -14.854 -1.510 1.00 0.00 C ATOM 1179 CG LEU A 80 -4.589 -13.391 -1.951 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -5.707 -12.589 -1.305 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -3.233 -12.791 -1.610 1.00 0.00 C ATOM 0 H LEU A 80 -5.856 -15.697 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.072 -15.692 -2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.690 -15.098 -1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.087 -14.959 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.720 -13.351 -3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.645 -11.551 -1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.670 -13.005 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.608 -12.636 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.205 -11.750 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.072 -12.843 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.449 -13.349 -2.121 1.00 0.00 H new ATOM 1193 N LEU A 81 -3.699 -17.504 -0.763 1.00 0.00 N ATOM 1194 CA LEU A 81 -3.766 -18.804 -0.105 1.00 0.00 C ATOM 1195 C LEU A 81 -4.676 -18.750 1.118 1.00 0.00 C ATOM 1196 O LEU A 81 -4.643 -17.805 1.905 1.00 0.00 O ATOM 1197 CB LEU A 81 -2.365 -19.262 0.307 1.00 0.00 C ATOM 1198 CG LEU A 81 -1.426 -19.657 -0.833 1.00 0.00 C ATOM 1199 CD1 LEU A 81 -0.004 -19.821 -0.320 1.00 0.00 C ATOM 1200 CD2 LEU A 81 -1.906 -20.939 -1.499 1.00 0.00 C ATOM 0 H LEU A 81 -3.181 -16.795 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.183 -19.521 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.895 -18.460 0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.466 -20.114 0.979 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.433 -18.860 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.650 -20.102 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.338 -18.880 0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.020 -20.599 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.226 -21.205 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.929 -21.744 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.907 -20.787 -1.902 1.00 0.00 H new ATOM 1212 N PRO A 82 -5.508 -19.789 1.283 1.00 0.00 N ATOM 1213 CA PRO A 82 -6.440 -19.885 2.410 1.00 0.00 C ATOM 1214 C PRO A 82 -5.726 -20.120 3.736 1.00 0.00 C ATOM 1215 O PRO A 82 -4.718 -20.824 3.793 1.00 0.00 O ATOM 1216 CB PRO A 82 -7.309 -21.093 2.049 1.00 0.00 C ATOM 1217 CG PRO A 82 -6.454 -21.921 1.154 1.00 0.00 C ATOM 1218 CD PRO A 82 -5.601 -20.951 0.384 1.00 0.00 C ATOM 0 HA PRO A 82 -7.004 -18.963 2.552 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.604 -21.648 2.939 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.226 -20.785 1.547 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.838 -22.610 1.731 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.063 -22.525 0.481 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.618 -21.368 0.163 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.056 -20.685 -0.570 1.00 0.00 H new ATOM 1226 N ASN A 83 -6.254 -19.527 4.801 1.00 0.00 N ATOM 1227 CA ASN A 83 -5.666 -19.672 6.128 1.00 0.00 C ATOM 1228 C ASN A 83 -4.195 -19.268 6.118 1.00 0.00 C ATOM 1229 O ASN A 83 -3.343 -19.971 6.661 1.00 0.00 O ATOM 1230 CB ASN A 83 -5.807 -21.115 6.616 1.00 0.00 C ATOM 1231 CG ASN A 83 -7.244 -21.482 6.929 1.00 0.00 C ATOM 1232 OD1 ASN A 83 -7.544 -22.004 8.003 1.00 0.00 O ATOM 1233 ND2 ASN A 83 -8.142 -21.210 5.989 1.00 0.00 N ATOM 0 H ASN A 83 -7.088 -18.941 4.771 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.201 -19.011 6.810 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.420 -21.792 5.855 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.197 -21.255 7.508 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.125 -21.434 6.143 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.849 -20.777 5.113 1.00 0.00 H new ATOM 1240 N HIS A 84 -3.904 -18.129 5.496 1.00 0.00 N ATOM 1241 CA HIS A 84 -2.535 -17.630 5.416 1.00 0.00 C ATOM 1242 C HIS A 84 -2.504 -16.110 5.538 1.00 0.00 C ATOM 1243 O HIS A 84 -3.286 -15.409 4.896 1.00 0.00 O ATOM 1244 CB HIS A 84 -1.889 -18.061 4.099 1.00 0.00 C ATOM 1245 CG HIS A 84 -1.407 -19.479 4.104 1.00 0.00 C ATOM 1246 ND1 HIS A 84 -2.234 -20.556 3.868 1.00 0.00 N ATOM 1247 CD2 HIS A 84 -0.173 -19.994 4.318 1.00 0.00 C ATOM 1248 CE1 HIS A 84 -1.531 -21.672 3.937 1.00 0.00 C ATOM 1249 NE2 HIS A 84 -0.277 -21.359 4.209 1.00 0.00 N ATOM 0 H HIS A 84 -4.597 -17.535 5.041 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.970 -18.055 6.245 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.610 -17.934 3.292 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.049 -17.401 3.883 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -3.233 -20.500 3.671 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.726 -19.435 4.534 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.916 -22.671 3.795 1.00 0.00 H new ATOM 1257 N SER A 85 -1.595 -15.606 6.367 1.00 0.00 N ATOM 1258 CA SER A 85 -1.464 -14.169 6.577 1.00 0.00 C ATOM 1259 C SER A 85 -0.664 -13.526 5.449 1.00 0.00 C ATOM 1260 O SER A 85 0.159 -14.178 4.807 1.00 0.00 O ATOM 1261 CB SER A 85 -0.790 -13.888 7.921 1.00 0.00 C ATOM 1262 OG SER A 85 -1.609 -14.304 9.000 1.00 0.00 O ATOM 0 H SER A 85 -0.938 -16.172 6.904 1.00 0.00 H new ATOM 0 HA SER A 85 -2.464 -13.735 6.583 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.168 -14.407 7.966 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.580 -12.822 8.010 1.00 0.00 H new ATOM 0 HG SER A 85 -1.155 -14.115 9.847 1.00 0.00 H new ATOM 1268 N TYR A 86 -0.912 -12.242 5.214 1.00 0.00 N ATOM 1269 CA TYR A 86 -0.217 -11.510 4.162 1.00 0.00 C ATOM 1270 C TYR A 86 0.017 -10.059 4.572 1.00 0.00 C ATOM 1271 O TYR A 86 -0.917 -9.347 4.943 1.00 0.00 O ATOM 1272 CB TYR A 86 -1.020 -11.560 2.861 1.00 0.00 C ATOM 1273 CG TYR A 86 -0.889 -12.871 2.119 1.00 0.00 C ATOM 1274 CD1 TYR A 86 0.186 -13.108 1.270 1.00 0.00 C ATOM 1275 CD2 TYR A 86 -1.839 -13.874 2.268 1.00 0.00 C ATOM 1276 CE1 TYR A 86 0.309 -14.304 0.591 1.00 0.00 C ATOM 1277 CE2 TYR A 86 -1.723 -15.074 1.593 1.00 0.00 C ATOM 1278 CZ TYR A 86 -0.648 -15.284 0.755 1.00 0.00 C ATOM 1279 OH TYR A 86 -0.528 -16.478 0.081 1.00 0.00 O ATOM 0 H TYR A 86 -1.589 -11.687 5.738 1.00 0.00 H new ATOM 0 HA TYR A 86 0.751 -11.985 4.003 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.072 -11.383 3.086 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.692 -10.749 2.210 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.938 -12.344 1.139 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.683 -13.713 2.923 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.150 -14.471 -0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.470 -15.843 1.721 1.00 0.00 H new ATOM 0 HH TYR A 86 0.420 -16.680 -0.061 1.00 0.00 H new ATOM 1289 N VAL A 87 1.272 -9.626 4.501 1.00 0.00 N ATOM 1290 CA VAL A 87 1.631 -8.260 4.863 1.00 0.00 C ATOM 1291 C VAL A 87 1.483 -7.320 3.672 1.00 0.00 C ATOM 1292 O VAL A 87 2.338 -7.281 2.788 1.00 0.00 O ATOM 1293 CB VAL A 87 3.077 -8.180 5.389 1.00 0.00 C ATOM 1294 CG1 VAL A 87 4.060 -8.633 4.320 1.00 0.00 C ATOM 1295 CG2 VAL A 87 3.396 -6.768 5.855 1.00 0.00 C ATOM 0 H VAL A 87 2.057 -10.202 4.196 1.00 0.00 H new ATOM 0 HA VAL A 87 0.947 -7.952 5.654 1.00 0.00 H new ATOM 0 HB VAL A 87 3.173 -8.850 6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.076 -8.570 4.710 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.843 -9.664 4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.967 -7.991 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.421 -6.729 6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.284 -6.075 5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.712 -6.486 6.655 1.00 0.00 H new ATOM 1305 N PHE A 88 0.391 -6.562 3.656 1.00 0.00 N ATOM 1306 CA PHE A 88 0.129 -5.621 2.574 1.00 0.00 C ATOM 1307 C PHE A 88 0.741 -4.256 2.880 1.00 0.00 C ATOM 1308 O PHE A 88 0.281 -3.545 3.774 1.00 0.00 O ATOM 1309 CB PHE A 88 -1.377 -5.478 2.347 1.00 0.00 C ATOM 1310 CG PHE A 88 -1.986 -6.642 1.619 1.00 0.00 C ATOM 1311 CD1 PHE A 88 -2.337 -7.796 2.302 1.00 0.00 C ATOM 1312 CD2 PHE A 88 -2.210 -6.582 0.253 1.00 0.00 C ATOM 1313 CE1 PHE A 88 -2.897 -8.869 1.634 1.00 0.00 C ATOM 1314 CE2 PHE A 88 -2.770 -7.652 -0.420 1.00 0.00 C ATOM 1315 CZ PHE A 88 -3.115 -8.796 0.272 1.00 0.00 C ATOM 0 H PHE A 88 -0.327 -6.582 4.381 1.00 0.00 H new ATOM 0 HA PHE A 88 0.590 -6.011 1.667 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.872 -5.363 3.311 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.566 -4.566 1.781 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.171 -7.858 3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.944 -5.689 -0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.164 -9.764 2.177 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.937 -7.593 -1.485 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.555 -9.632 -0.251 1.00 0.00 H new ATOM 1325 N ARG A 89 1.779 -3.899 2.132 1.00 0.00 N ATOM 1326 CA ARG A 89 2.455 -2.621 2.323 1.00 0.00 C ATOM 1327 C ARG A 89 2.216 -1.696 1.134 1.00 0.00 C ATOM 1328 O ARG A 89 2.907 -1.782 0.118 1.00 0.00 O ATOM 1329 CB ARG A 89 3.956 -2.839 2.521 1.00 0.00 C ATOM 1330 CG ARG A 89 4.303 -3.548 3.819 1.00 0.00 C ATOM 1331 CD ARG A 89 5.788 -3.443 4.132 1.00 0.00 C ATOM 1332 NE ARG A 89 6.232 -4.498 5.039 1.00 0.00 N ATOM 1333 CZ ARG A 89 7.498 -4.884 5.153 1.00 0.00 C ATOM 1334 NH1 ARG A 89 8.440 -4.304 4.422 1.00 0.00 N ATOM 1335 NH2 ARG A 89 7.824 -5.851 6.001 1.00 0.00 N ATOM 0 H ARG A 89 2.171 -4.476 1.388 1.00 0.00 H new ATOM 0 HA ARG A 89 2.043 -2.150 3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.343 -3.421 1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.461 -1.873 2.498 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.726 -3.115 4.637 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.018 -4.598 3.749 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.359 -3.498 3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.997 -2.470 4.577 1.00 0.00 H new ATOM 0 HE ARG A 89 5.532 -4.964 5.616 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.193 -3.559 3.770 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.411 -4.602 4.512 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.102 -6.299 6.566 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.796 -6.147 6.088 1.00 0.00 H new ATOM 1349 N VAL A 90 1.232 -0.812 1.266 1.00 0.00 N ATOM 1350 CA VAL A 90 0.902 0.130 0.203 1.00 0.00 C ATOM 1351 C VAL A 90 1.713 1.415 0.336 1.00 0.00 C ATOM 1352 O VAL A 90 2.165 1.765 1.426 1.00 0.00 O ATOM 1353 CB VAL A 90 -0.598 0.479 0.208 1.00 0.00 C ATOM 1354 CG1 VAL A 90 -0.895 1.572 -0.807 1.00 0.00 C ATOM 1355 CG2 VAL A 90 -1.434 -0.761 -0.071 1.00 0.00 C ATOM 0 H VAL A 90 0.649 -0.729 2.099 1.00 0.00 H new ATOM 0 HA VAL A 90 1.151 -0.357 -0.740 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.863 0.853 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.960 1.805 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.323 2.466 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.615 1.229 -1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.491 -0.496 -0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.168 -1.167 -1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.242 -1.510 0.698 1.00 0.00 H new ATOM 1365 N ARG A 91 1.891 2.113 -0.781 1.00 0.00 N ATOM 1366 CA ARG A 91 2.647 3.360 -0.790 1.00 0.00 C ATOM 1367 C ARG A 91 2.210 4.253 -1.947 1.00 0.00 C ATOM 1368 O ARG A 91 1.271 3.929 -2.673 1.00 0.00 O ATOM 1369 CB ARG A 91 4.146 3.071 -0.892 1.00 0.00 C ATOM 1370 CG ARG A 91 4.492 2.004 -1.918 1.00 0.00 C ATOM 1371 CD ARG A 91 5.991 1.759 -1.984 1.00 0.00 C ATOM 1372 NE ARG A 91 6.315 0.535 -2.712 1.00 0.00 N ATOM 1373 CZ ARG A 91 7.547 0.206 -3.084 1.00 0.00 C ATOM 1374 NH1 ARG A 91 8.566 1.004 -2.797 1.00 0.00 N ATOM 1375 NH2 ARG A 91 7.761 -0.925 -3.744 1.00 0.00 N ATOM 0 H ARG A 91 1.522 1.836 -1.691 1.00 0.00 H new ATOM 0 HA ARG A 91 2.447 3.884 0.145 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.668 3.993 -1.148 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.514 2.757 0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.981 1.075 -1.665 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.129 2.310 -2.899 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.476 2.607 -2.467 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.393 1.696 -0.973 1.00 0.00 H new ATOM 0 HE ARG A 91 5.554 -0.102 -2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.405 1.874 -2.289 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.511 0.748 -3.084 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.979 -1.542 -3.966 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.707 -1.178 -4.030 1.00 0.00 H new ATOM 1389 N ALA A 92 2.898 5.378 -2.112 1.00 0.00 N ATOM 1390 CA ALA A 92 2.582 6.316 -3.181 1.00 0.00 C ATOM 1391 C ALA A 92 3.850 6.813 -3.868 1.00 0.00 C ATOM 1392 O ALA A 92 4.943 6.728 -3.309 1.00 0.00 O ATOM 1393 CB ALA A 92 1.782 7.489 -2.634 1.00 0.00 C ATOM 0 H ALA A 92 3.678 5.662 -1.519 1.00 0.00 H new ATOM 0 HA ALA A 92 1.979 5.793 -3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.553 8.182 -3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.854 7.123 -2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.366 8.003 -1.871 1.00 0.00 H new ATOM 1399 N GLN A 93 3.695 7.330 -5.083 1.00 0.00 N ATOM 1400 CA GLN A 93 4.829 7.839 -5.846 1.00 0.00 C ATOM 1401 C GLN A 93 4.571 9.266 -6.318 1.00 0.00 C ATOM 1402 O GLN A 93 3.452 9.612 -6.696 1.00 0.00 O ATOM 1403 CB GLN A 93 5.109 6.934 -7.047 1.00 0.00 C ATOM 1404 CG GLN A 93 6.276 7.402 -7.902 1.00 0.00 C ATOM 1405 CD GLN A 93 6.887 6.280 -8.720 1.00 0.00 C ATOM 1406 OE1 GLN A 93 8.108 6.172 -8.831 1.00 0.00 O ATOM 1407 NE2 GLN A 93 6.038 5.438 -9.297 1.00 0.00 N ATOM 0 H GLN A 93 2.796 7.407 -5.560 1.00 0.00 H new ATOM 0 HA GLN A 93 5.702 7.845 -5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.312 5.924 -6.691 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.214 6.879 -7.667 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.937 8.192 -8.572 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.042 7.836 -7.259 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.033 5.566 -9.178 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.391 4.663 -9.859 1.00 0.00 H new ATOM 1416 N SER A 94 5.614 10.089 -6.294 1.00 0.00 N ATOM 1417 CA SER A 94 5.499 11.481 -6.715 1.00 0.00 C ATOM 1418 C SER A 94 6.753 11.928 -7.460 1.00 0.00 C ATOM 1419 O SER A 94 7.766 11.229 -7.465 1.00 0.00 O ATOM 1420 CB SER A 94 5.262 12.385 -5.504 1.00 0.00 C ATOM 1421 OG SER A 94 6.474 12.648 -4.819 1.00 0.00 O ATOM 0 H SER A 94 6.548 9.817 -5.988 1.00 0.00 H new ATOM 0 HA SER A 94 4.647 11.561 -7.391 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.813 13.324 -5.829 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.553 11.911 -4.826 1.00 0.00 H new ATOM 0 HG SER A 94 6.296 13.229 -4.050 1.00 0.00 H new ATOM 1427 N GLN A 95 6.676 13.097 -8.088 1.00 0.00 N ATOM 1428 CA GLN A 95 7.804 13.637 -8.837 1.00 0.00 C ATOM 1429 C GLN A 95 9.126 13.259 -8.177 1.00 0.00 C ATOM 1430 O GLN A 95 10.093 12.913 -8.856 1.00 0.00 O ATOM 1431 CB GLN A 95 7.690 15.159 -8.944 1.00 0.00 C ATOM 1432 CG GLN A 95 8.598 15.763 -10.004 1.00 0.00 C ATOM 1433 CD GLN A 95 8.421 17.263 -10.136 1.00 0.00 C ATOM 1434 OE1 GLN A 95 9.330 18.036 -9.829 1.00 0.00 O ATOM 1435 NE2 GLN A 95 7.249 17.684 -10.595 1.00 0.00 N ATOM 0 H GLN A 95 5.845 13.688 -8.093 1.00 0.00 H new ATOM 0 HA GLN A 95 7.783 13.207 -9.838 1.00 0.00 H new ATOM 0 HB2 GLN A 95 6.657 15.423 -9.169 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.929 15.602 -7.977 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.636 15.544 -9.756 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.393 15.291 -10.965 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.524 17.009 -10.837 1.00 0.00 H new ATOM 0 HE22 GLN A 95 7.073 18.683 -10.705 1.00 0.00 H new ATOM 1444 N GLU A 96 9.161 13.329 -6.850 1.00 0.00 N ATOM 1445 CA GLU A 96 10.366 12.995 -6.099 1.00 0.00 C ATOM 1446 C GLU A 96 10.668 11.502 -6.191 1.00 0.00 C ATOM 1447 O GLU A 96 11.733 11.100 -6.657 1.00 0.00 O ATOM 1448 CB GLU A 96 10.211 13.407 -4.634 1.00 0.00 C ATOM 1449 CG GLU A 96 10.333 14.904 -4.406 1.00 0.00 C ATOM 1450 CD GLU A 96 11.769 15.349 -4.208 1.00 0.00 C ATOM 1451 OE1 GLU A 96 12.595 14.516 -3.780 1.00 0.00 O ATOM 1452 OE2 GLU A 96 12.067 16.531 -4.481 1.00 0.00 O ATOM 0 H GLU A 96 8.370 13.614 -6.273 1.00 0.00 H new ATOM 0 HA GLU A 96 11.200 13.544 -6.536 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.239 13.071 -4.272 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.967 12.895 -4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.907 15.433 -5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.746 15.183 -3.531 1.00 0.00 H new ATOM 1459 N GLY A 97 9.721 10.684 -5.740 1.00 0.00 N ATOM 1460 CA GLY A 97 9.904 9.245 -5.779 1.00 0.00 C ATOM 1461 C GLY A 97 9.009 8.520 -4.793 1.00 0.00 C ATOM 1462 O GLY A 97 8.185 9.140 -4.122 1.00 0.00 O ATOM 0 H GLY A 97 8.831 10.992 -5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.698 8.883 -6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.946 9.008 -5.562 1.00 0.00 H new ATOM 1466 N TRP A 98 9.171 7.205 -4.707 1.00 0.00 N ATOM 1467 CA TRP A 98 8.369 6.395 -3.797 1.00 0.00 C ATOM 1468 C TRP A 98 8.716 6.703 -2.345 1.00 0.00 C ATOM 1469 O TRP A 98 9.853 6.514 -1.915 1.00 0.00 O ATOM 1470 CB TRP A 98 8.584 4.907 -4.081 1.00 0.00 C ATOM 1471 CG TRP A 98 7.987 4.458 -5.380 1.00 0.00 C ATOM 1472 CD1 TRP A 98 8.651 4.218 -6.549 1.00 0.00 C ATOM 1473 CD2 TRP A 98 6.603 4.198 -5.643 1.00 0.00 C ATOM 1474 NE1 TRP A 98 7.765 3.824 -7.522 1.00 0.00 N ATOM 1475 CE2 TRP A 98 6.502 3.803 -6.991 1.00 0.00 C ATOM 1476 CE3 TRP A 98 5.441 4.258 -4.870 1.00 0.00 C ATOM 1477 CZ2 TRP A 98 5.285 3.472 -7.580 1.00 0.00 C ATOM 1478 CZ3 TRP A 98 4.233 3.929 -5.456 1.00 0.00 C ATOM 1479 CH2 TRP A 98 4.163 3.539 -6.800 1.00 0.00 C ATOM 0 H TRP A 98 9.850 6.677 -5.256 1.00 0.00 H new ATOM 0 HA TRP A 98 7.320 6.641 -3.960 1.00 0.00 H new ATOM 0 HB2 TRP A 98 9.654 4.697 -4.089 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.150 4.323 -3.269 1.00 0.00 H new ATOM 0 HD1 TRP A 98 9.717 4.323 -6.688 1.00 0.00 H new ATOM 0 HE1 TRP A 98 8.008 3.586 -8.484 1.00 0.00 H new ATOM 0 HE3 TRP A 98 5.486 4.556 -3.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 5.228 3.173 -8.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 3.328 3.973 -4.868 1.00 0.00 H new ATOM 0 HH2 TRP A 98 3.204 3.286 -7.229 1.00 0.00 H new ATOM 1490 N GLY A 99 7.727 7.178 -1.593 1.00 0.00 N ATOM 1491 CA GLY A 99 7.949 7.505 -0.196 1.00 0.00 C ATOM 1492 C GLY A 99 7.840 6.292 0.707 1.00 0.00 C ATOM 1493 O GLY A 99 8.297 5.204 0.355 1.00 0.00 O ATOM 0 H GLY A 99 6.777 7.342 -1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.937 7.951 -0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.223 8.255 0.118 1.00 0.00 H new ATOM 1497 N ARG A 100 7.236 6.479 1.876 1.00 0.00 N ATOM 1498 CA ARG A 100 7.071 5.392 2.833 1.00 0.00 C ATOM 1499 C ARG A 100 5.900 4.495 2.442 1.00 0.00 C ATOM 1500 O ARG A 100 5.264 4.705 1.410 1.00 0.00 O ATOM 1501 CB ARG A 100 6.851 5.951 4.240 1.00 0.00 C ATOM 1502 CG ARG A 100 8.108 6.527 4.870 1.00 0.00 C ATOM 1503 CD ARG A 100 8.084 6.392 6.385 1.00 0.00 C ATOM 1504 NE ARG A 100 9.344 6.812 6.992 1.00 0.00 N ATOM 1505 CZ ARG A 100 9.663 8.081 7.221 1.00 0.00 C ATOM 1506 NH1 ARG A 100 8.818 9.049 6.895 1.00 0.00 N ATOM 1507 NH2 ARG A 100 10.829 8.383 7.778 1.00 0.00 N ATOM 0 H ARG A 100 6.853 7.373 2.183 1.00 0.00 H new ATOM 0 HA ARG A 100 7.982 4.794 2.825 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.087 6.728 4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.464 5.158 4.880 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.984 6.014 4.472 1.00 0.00 H new ATOM 0 HG3 ARG A 100 8.203 7.578 4.599 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.269 6.992 6.790 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.880 5.355 6.653 1.00 0.00 H new ATOM 0 HE ARG A 100 10.016 6.091 7.255 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.921 8.820 6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.065 10.023 7.072 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.481 7.640 8.031 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.073 9.358 7.953 1.00 0.00 H new ATOM 1521 N GLU A 101 5.624 3.495 3.273 1.00 0.00 N ATOM 1522 CA GLU A 101 4.531 2.566 3.012 1.00 0.00 C ATOM 1523 C GLU A 101 3.915 2.070 4.317 1.00 0.00 C ATOM 1524 O GLU A 101 4.627 1.699 5.250 1.00 0.00 O ATOM 1525 CB GLU A 101 5.028 1.378 2.186 1.00 0.00 C ATOM 1526 CG GLU A 101 5.685 0.290 3.018 1.00 0.00 C ATOM 1527 CD GLU A 101 6.693 0.841 4.007 1.00 0.00 C ATOM 1528 OE1 GLU A 101 7.462 1.749 3.626 1.00 0.00 O ATOM 1529 OE2 GLU A 101 6.714 0.366 5.162 1.00 0.00 O ATOM 0 H GLU A 101 6.142 3.308 4.132 1.00 0.00 H new ATOM 0 HA GLU A 101 3.765 3.097 2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.188 0.949 1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.741 1.736 1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 101 4.917 -0.263 3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.182 -0.419 2.355 1.00 0.00 H new ATOM 1536 N ARG A 102 2.587 2.067 4.375 1.00 0.00 N ATOM 1537 CA ARG A 102 1.875 1.619 5.565 1.00 0.00 C ATOM 1538 C ARG A 102 1.713 0.101 5.563 1.00 0.00 C ATOM 1539 O ARG A 102 1.466 -0.504 4.521 1.00 0.00 O ATOM 1540 CB ARG A 102 0.502 2.288 5.647 1.00 0.00 C ATOM 1541 CG ARG A 102 -0.321 1.847 6.846 1.00 0.00 C ATOM 1542 CD ARG A 102 -0.035 2.708 8.066 1.00 0.00 C ATOM 1543 NE ARG A 102 1.249 2.380 8.679 1.00 0.00 N ATOM 1544 CZ ARG A 102 1.919 3.210 9.471 1.00 0.00 C ATOM 1545 NH1 ARG A 102 1.430 4.411 9.743 1.00 0.00 N ATOM 1546 NH2 ARG A 102 3.082 2.838 9.991 1.00 0.00 N ATOM 0 H ARG A 102 1.983 2.370 3.611 1.00 0.00 H new ATOM 0 HA ARG A 102 2.463 1.904 6.437 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.636 3.369 5.687 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.054 2.069 4.735 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.382 1.903 6.601 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.101 0.804 7.076 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.041 3.759 7.777 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.831 2.574 8.799 1.00 0.00 H new ATOM 0 HE ARG A 102 1.654 1.463 8.489 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.537 4.700 9.344 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.947 5.046 10.351 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.462 1.915 9.783 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.596 3.476 10.599 1.00 0.00 H new ATOM 1560 N GLU A 103 1.856 -0.506 6.737 1.00 0.00 N ATOM 1561 CA GLU A 103 1.727 -1.952 6.869 1.00 0.00 C ATOM 1562 C GLU A 103 0.278 -2.347 7.139 1.00 0.00 C ATOM 1563 O GLU A 103 -0.420 -1.696 7.915 1.00 0.00 O ATOM 1564 CB GLU A 103 2.625 -2.466 7.996 1.00 0.00 C ATOM 1565 CG GLU A 103 3.009 -3.929 7.849 1.00 0.00 C ATOM 1566 CD GLU A 103 3.391 -4.567 9.171 1.00 0.00 C ATOM 1567 OE1 GLU A 103 2.507 -4.698 10.043 1.00 0.00 O ATOM 1568 OE2 GLU A 103 4.573 -4.935 9.333 1.00 0.00 O ATOM 0 H GLU A 103 2.061 -0.019 7.609 1.00 0.00 H new ATOM 0 HA GLU A 103 2.040 -2.406 5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.532 -1.863 8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.114 -2.327 8.949 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.174 -4.478 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.844 -4.014 7.154 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.168 -3.419 6.490 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.532 -3.882 6.672 1.00 0.00 C ATOM 1577 C GLY A 104 -1.660 -5.384 6.515 1.00 0.00 C ATOM 1578 O GLY A 104 -2.008 -5.876 5.442 1.00 0.00 O ATOM 0 H GLY A 104 0.390 -3.975 5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.882 -3.592 7.663 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.180 -3.388 5.948 1.00 0.00 H new ATOM 1582 N VAL A 105 -1.376 -6.116 7.588 1.00 0.00 N ATOM 1583 CA VAL A 105 -1.460 -7.571 7.565 1.00 0.00 C ATOM 1584 C VAL A 105 -2.912 -8.037 7.565 1.00 0.00 C ATOM 1585 O VAL A 105 -3.766 -7.439 8.219 1.00 0.00 O ATOM 1586 CB VAL A 105 -0.732 -8.195 8.770 1.00 0.00 C ATOM 1587 CG1 VAL A 105 -1.269 -7.623 10.073 1.00 0.00 C ATOM 1588 CG2 VAL A 105 -0.867 -9.710 8.748 1.00 0.00 C ATOM 0 H VAL A 105 -1.086 -5.725 8.484 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.975 -7.902 6.647 1.00 0.00 H new ATOM 0 HB VAL A 105 0.327 -7.946 8.701 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.743 -8.076 10.913 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.115 -6.544 10.087 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.334 -7.839 10.153 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.347 -10.134 9.607 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.922 -9.982 8.792 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.430 -10.101 7.829 1.00 0.00 H new ATOM 1598 N ILE A 106 -3.183 -9.110 6.829 1.00 0.00 N ATOM 1599 CA ILE A 106 -4.531 -9.657 6.745 1.00 0.00 C ATOM 1600 C ILE A 106 -4.521 -11.172 6.921 1.00 0.00 C ATOM 1601 O ILE A 106 -3.558 -11.845 6.551 1.00 0.00 O ATOM 1602 CB ILE A 106 -5.197 -9.312 5.400 1.00 0.00 C ATOM 1603 CG1 ILE A 106 -6.651 -9.790 5.388 1.00 0.00 C ATOM 1604 CG2 ILE A 106 -4.420 -9.934 4.249 1.00 0.00 C ATOM 1605 CD1 ILE A 106 -7.569 -8.951 6.249 1.00 0.00 C ATOM 0 H ILE A 106 -2.487 -9.617 6.283 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.106 -9.203 7.552 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.189 -8.229 5.275 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.020 -9.781 4.362 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.688 -10.824 5.731 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.903 -9.681 3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.400 -9.550 4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.399 -11.017 4.367 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.583 -9.347 6.193 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.225 -8.980 7.283 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.562 -7.921 5.892 1.00 0.00 H new ATOM 1617 N THR A 107 -5.600 -11.704 7.486 1.00 0.00 N ATOM 1618 CA THR A 107 -5.717 -13.140 7.710 1.00 0.00 C ATOM 1619 C THR A 107 -6.954 -13.705 7.022 1.00 0.00 C ATOM 1620 O THR A 107 -8.069 -13.230 7.241 1.00 0.00 O ATOM 1621 CB THR A 107 -5.783 -13.470 9.213 1.00 0.00 C ATOM 1622 OG1 THR A 107 -4.547 -13.121 9.846 1.00 0.00 O ATOM 1623 CG2 THR A 107 -6.070 -14.948 9.430 1.00 0.00 C ATOM 0 H THR A 107 -6.406 -11.162 7.797 1.00 0.00 H new ATOM 0 HA THR A 107 -4.826 -13.600 7.283 1.00 0.00 H new ATOM 0 HB THR A 107 -6.593 -12.890 9.655 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.809 -13.593 9.406 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.112 -15.157 10.499 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.025 -15.204 8.972 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.278 -15.543 8.975 1.00 0.00 H new ATOM 1631 N ILE A 108 -6.751 -14.721 6.190 1.00 0.00 N ATOM 1632 CA ILE A 108 -7.851 -15.351 5.472 1.00 0.00 C ATOM 1633 C ILE A 108 -8.672 -16.243 6.397 1.00 0.00 C ATOM 1634 O ILE A 108 -8.145 -17.172 7.008 1.00 0.00 O ATOM 1635 CB ILE A 108 -7.341 -16.192 4.286 1.00 0.00 C ATOM 1636 CG1 ILE A 108 -6.378 -15.370 3.427 1.00 0.00 C ATOM 1637 CG2 ILE A 108 -8.510 -16.693 3.450 1.00 0.00 C ATOM 1638 CD1 ILE A 108 -7.057 -14.268 2.645 1.00 0.00 C ATOM 0 H ILE A 108 -5.835 -15.125 5.997 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.482 -14.547 5.092 1.00 0.00 H new ATOM 0 HB ILE A 108 -6.803 -17.056 4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -5.615 -14.931 4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -5.866 -16.035 2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.133 -17.285 2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.162 -17.310 4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.073 -15.843 3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.314 -13.727 2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.801 -14.701 1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.546 -13.580 3.335 1.00 0.00 H new ATOM 1650 N GLU A 109 -9.966 -15.955 6.492 1.00 0.00 N ATOM 1651 CA GLU A 109 -10.860 -16.733 7.342 1.00 0.00 C ATOM 1652 C GLU A 109 -12.049 -17.261 6.543 1.00 0.00 C ATOM 1653 O GLU A 109 -12.989 -16.523 6.250 1.00 0.00 O ATOM 1654 CB GLU A 109 -11.357 -15.880 8.512 1.00 0.00 C ATOM 1655 CG GLU A 109 -10.363 -15.780 9.657 1.00 0.00 C ATOM 1656 CD GLU A 109 -11.007 -15.321 10.951 1.00 0.00 C ATOM 1657 OE1 GLU A 109 -11.184 -14.096 11.122 1.00 0.00 O ATOM 1658 OE2 GLU A 109 -11.335 -16.185 11.791 1.00 0.00 O ATOM 0 H GLU A 109 -10.418 -15.190 5.992 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.300 -17.583 7.732 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.583 -14.877 8.149 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.290 -16.301 8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -9.896 -16.752 9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.569 -15.085 9.384 1.00 0.00 H new ATOM 1665 N SER A 110 -11.997 -18.542 6.195 1.00 0.00 N ATOM 1666 CA SER A 110 -13.066 -19.169 5.426 1.00 0.00 C ATOM 1667 C SER A 110 -14.091 -19.818 6.351 1.00 0.00 C ATOM 1668 O SER A 110 -15.288 -19.546 6.255 1.00 0.00 O ATOM 1669 CB SER A 110 -12.490 -20.215 4.470 1.00 0.00 C ATOM 1670 OG SER A 110 -11.696 -21.160 5.167 1.00 0.00 O ATOM 0 H SER A 110 -11.226 -19.166 6.433 1.00 0.00 H new ATOM 0 HA SER A 110 -13.566 -18.393 4.845 1.00 0.00 H new ATOM 0 HB2 SER A 110 -13.302 -20.727 3.954 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.888 -19.722 3.706 1.00 0.00 H new ATOM 0 HG SER A 110 -11.341 -21.819 4.534 1.00 0.00 H new ATOM 1676 N GLN A 111 -13.613 -20.676 7.245 1.00 0.00 N ATOM 1677 CA GLN A 111 -14.487 -21.365 8.187 1.00 0.00 C ATOM 1678 C GLN A 111 -14.769 -20.493 9.406 1.00 0.00 C ATOM 1679 O GLN A 111 -13.937 -20.378 10.306 1.00 0.00 O ATOM 1680 CB GLN A 111 -13.858 -22.688 8.626 1.00 0.00 C ATOM 1681 CG GLN A 111 -14.718 -23.477 9.600 1.00 0.00 C ATOM 1682 CD GLN A 111 -15.886 -24.166 8.923 1.00 0.00 C ATOM 1683 OE1 GLN A 111 -16.744 -23.514 8.327 1.00 0.00 O ATOM 1684 NE2 GLN A 111 -15.925 -25.490 9.011 1.00 0.00 N ATOM 0 H GLN A 111 -12.625 -20.911 7.337 1.00 0.00 H new ATOM 0 HA GLN A 111 -15.432 -21.570 7.683 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -13.667 -23.300 7.745 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -12.892 -22.486 9.089 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -14.101 -24.224 10.100 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -15.095 -22.806 10.372 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -15.192 -25.989 9.515 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -16.688 -26.008 8.575 1.00 0.00 H new ATOM 1693 N VAL A 112 -15.948 -19.879 9.428 1.00 0.00 N ATOM 1694 CA VAL A 112 -16.340 -19.017 10.537 1.00 0.00 C ATOM 1695 C VAL A 112 -16.542 -19.824 11.815 1.00 0.00 C ATOM 1696 O VAL A 112 -17.222 -20.850 11.813 1.00 0.00 O ATOM 1697 CB VAL A 112 -17.635 -18.247 10.219 1.00 0.00 C ATOM 1698 CG1 VAL A 112 -18.725 -19.203 9.759 1.00 0.00 C ATOM 1699 CG2 VAL A 112 -18.092 -17.449 11.431 1.00 0.00 C ATOM 0 H VAL A 112 -16.648 -19.963 8.691 1.00 0.00 H new ATOM 0 HA VAL A 112 -15.529 -18.304 10.685 1.00 0.00 H new ATOM 0 HB VAL A 112 -17.431 -17.548 9.408 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -19.633 -18.641 9.539 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -18.395 -19.726 8.861 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -18.929 -19.928 10.547 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -19.008 -16.911 11.188 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -18.279 -18.127 12.264 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -17.316 -16.736 11.711 1.00 0.00 H new ATOM 1709 N SER A 113 -15.947 -19.353 12.906 1.00 0.00 N ATOM 1710 CA SER A 113 -16.059 -20.032 14.192 1.00 0.00 C ATOM 1711 C SER A 113 -16.714 -19.126 15.230 1.00 0.00 C ATOM 1712 O SER A 113 -16.037 -18.369 15.925 1.00 0.00 O ATOM 1713 CB SER A 113 -14.678 -20.472 14.682 1.00 0.00 C ATOM 1714 OG SER A 113 -14.781 -21.270 15.848 1.00 0.00 O ATOM 0 H SER A 113 -15.382 -18.504 12.925 1.00 0.00 H new ATOM 0 HA SER A 113 -16.687 -20.913 14.056 1.00 0.00 H new ATOM 0 HB2 SER A 113 -14.172 -21.034 13.897 1.00 0.00 H new ATOM 0 HB3 SER A 113 -14.066 -19.594 14.891 1.00 0.00 H new ATOM 0 HG SER A 113 -13.885 -21.540 16.140 1.00 0.00 H new ATOM 1720 N GLY A 114 -18.037 -19.210 15.328 1.00 0.00 N ATOM 1721 CA GLY A 114 -18.763 -18.393 16.283 1.00 0.00 C ATOM 1722 C GLY A 114 -18.177 -18.473 17.679 1.00 0.00 C ATOM 1723 O GLY A 114 -17.550 -19.463 18.056 1.00 0.00 O ATOM 0 H GLY A 114 -18.619 -19.829 14.763 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -18.756 -17.356 15.948 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -19.805 -18.712 16.311 1.00 0.00 H new ATOM 1727 N PRO A 115 -18.379 -17.411 18.472 1.00 0.00 N ATOM 1728 CA PRO A 115 -17.873 -17.341 19.846 1.00 0.00 C ATOM 1729 C PRO A 115 -18.601 -18.301 20.781 1.00 0.00 C ATOM 1730 O PRO A 115 -18.137 -18.575 21.888 1.00 0.00 O ATOM 1731 CB PRO A 115 -18.146 -15.890 20.251 1.00 0.00 C ATOM 1732 CG PRO A 115 -19.286 -15.465 19.392 1.00 0.00 C ATOM 1733 CD PRO A 115 -19.118 -16.196 18.089 1.00 0.00 C ATOM 0 HA PRO A 115 -16.822 -17.625 19.909 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -18.398 -15.815 21.309 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -17.271 -15.262 20.087 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -20.240 -15.713 19.858 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -19.277 -14.386 19.238 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -20.080 -16.437 17.636 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -18.564 -15.601 17.363 1.00 0.00 H new ATOM 1741 N SER A 116 -19.743 -18.808 20.329 1.00 0.00 N ATOM 1742 CA SER A 116 -20.537 -19.735 21.127 1.00 0.00 C ATOM 1743 C SER A 116 -19.726 -20.977 21.483 1.00 0.00 C ATOM 1744 O SER A 116 -18.634 -21.191 20.957 1.00 0.00 O ATOM 1745 CB SER A 116 -21.803 -20.139 20.370 1.00 0.00 C ATOM 1746 OG SER A 116 -22.807 -20.594 21.261 1.00 0.00 O ATOM 0 H SER A 116 -20.139 -18.593 19.414 1.00 0.00 H new ATOM 0 HA SER A 116 -20.820 -19.230 22.050 1.00 0.00 H new ATOM 0 HB2 SER A 116 -22.177 -19.288 19.800 1.00 0.00 H new ATOM 0 HB3 SER A 116 -21.566 -20.924 19.652 1.00 0.00 H new ATOM 0 HG SER A 116 -23.606 -20.845 20.753 1.00 0.00 H new ATOM 1752 N SER A 117 -20.269 -21.794 22.381 1.00 0.00 N ATOM 1753 CA SER A 117 -19.595 -23.013 22.811 1.00 0.00 C ATOM 1754 C SER A 117 -20.003 -24.196 21.938 1.00 0.00 C ATOM 1755 O SER A 117 -21.188 -24.427 21.701 1.00 0.00 O ATOM 1756 CB SER A 117 -19.919 -23.310 24.276 1.00 0.00 C ATOM 1757 OG SER A 117 -18.939 -24.154 24.855 1.00 0.00 O ATOM 0 H SER A 117 -21.173 -21.633 22.824 1.00 0.00 H new ATOM 0 HA SER A 117 -18.521 -22.861 22.708 1.00 0.00 H new ATOM 0 HB2 SER A 117 -19.975 -22.376 24.836 1.00 0.00 H new ATOM 0 HB3 SER A 117 -20.898 -23.783 24.346 1.00 0.00 H new ATOM 0 HG SER A 117 -19.169 -24.327 25.792 1.00 0.00 H new ATOM 1763 N GLY A 118 -19.011 -24.943 21.463 1.00 0.00 N ATOM 1764 CA GLY A 118 -19.286 -26.093 20.621 1.00 0.00 C ATOM 1765 C GLY A 118 -19.111 -25.788 19.147 1.00 0.00 C ATOM 1766 O GLY A 118 -18.279 -24.962 18.772 1.00 0.00 O ATOM 0 H GLY A 118 -18.022 -24.773 21.646 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -18.622 -26.911 20.901 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -20.306 -26.434 20.800 1.00 0.00 H new TER 1770 GLY A 118