USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 725 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 24 ASN : amide:sc= -6.15! C(o=-8.3!,f=-5.5!) USER MOD Set 1.2: A 78 GLN : amide:sc= -2.15! C(o=-8.3!,f=-5.5!) USER MOD Set 2.1: A 59 ASN : amide:sc= -1.73! C(o=-1.2!,f=-4.4!) USER MOD Set 2.2: A 62 ASN : amide:sc= 0.519 K(o=-1.2,f=-7.3!) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.107 (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 170:sc= -0.0138 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 13 SER OG : rot 180:sc= -0.697 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 111:sc= -0.48! USER MOD Single : A 22 ASN : amide:sc= 0.713 K(o=0.71,f=-0.22) USER MOD Single : A 25 THR OG1 : rot -130:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -15:sc= -0.904 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 34:sc= -1.79 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -4.79! C(o=-4.8!,f=-8!) USER MOD Single : A 57 TYR OH : rot -158:sc= -5.57! USER MOD Single : A 74 MET CE :methyl 162:sc= 0 (180deg=-0.476) USER MOD Single : A 83 ASN : amide:sc= -2.8 K(o=-2.8,f=-0.41!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.466 K(o=-0.47,f=-2.3!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -29:sc= 0.488 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.774 4.320 29.184 1.00 0.00 N ATOM 2 CA GLY A 1 -14.540 4.149 29.932 1.00 0.00 C ATOM 3 C GLY A 1 -13.473 5.140 29.462 1.00 0.00 C ATOM 4 O GLY A 1 -13.762 6.045 28.682 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.583 4.292 29.837 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.758 5.236 28.692 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.866 3.554 28.486 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.732 4.293 30.995 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.174 3.130 29.809 1.00 0.00 H new ATOM 8 N SER A 2 -12.261 4.934 29.957 1.00 0.00 N ATOM 9 CA SER A 2 -11.150 5.798 29.597 1.00 0.00 C ATOM 10 C SER A 2 -9.952 4.954 29.158 1.00 0.00 C ATOM 11 O SER A 2 -9.397 5.170 28.081 1.00 0.00 O ATOM 12 CB SER A 2 -10.758 6.707 30.764 1.00 0.00 C ATOM 13 OG SER A 2 -10.576 8.058 30.350 1.00 0.00 O ATOM 0 H SER A 2 -12.024 4.182 30.604 1.00 0.00 H new ATOM 0 HA SER A 2 -11.465 6.431 28.768 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.530 6.664 31.532 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.837 6.339 31.217 1.00 0.00 H new ATOM 0 HG SER A 2 -10.328 8.607 31.123 1.00 0.00 H new ATOM 19 N SER A 3 -9.589 4.009 30.013 1.00 0.00 N ATOM 20 CA SER A 3 -8.467 3.131 29.726 1.00 0.00 C ATOM 21 C SER A 3 -7.200 3.958 29.497 1.00 0.00 C ATOM 22 O SER A 3 -7.275 5.164 29.265 1.00 0.00 O ATOM 23 CB SER A 3 -8.753 2.251 28.508 1.00 0.00 C ATOM 24 OG SER A 3 -9.605 1.155 28.829 1.00 0.00 O ATOM 0 H SER A 3 -10.052 3.832 30.905 1.00 0.00 H new ATOM 0 HA SER A 3 -8.317 2.477 30.585 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.216 2.853 27.726 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.813 1.874 28.105 1.00 0.00 H new ATOM 0 HG SER A 3 -9.765 0.618 28.025 1.00 0.00 H new ATOM 30 N GLY A 4 -6.066 3.278 29.571 1.00 0.00 N ATOM 31 CA GLY A 4 -4.785 3.934 29.375 1.00 0.00 C ATOM 32 C GLY A 4 -4.047 3.349 28.169 1.00 0.00 C ATOM 33 O GLY A 4 -4.409 2.283 27.673 1.00 0.00 O ATOM 0 H GLY A 4 -6.008 2.278 29.764 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.939 5.003 29.228 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.174 3.820 30.270 1.00 0.00 H new ATOM 37 N SER A 5 -3.027 4.072 27.732 1.00 0.00 N ATOM 38 CA SER A 5 -2.235 3.638 26.594 1.00 0.00 C ATOM 39 C SER A 5 -0.793 3.370 27.030 1.00 0.00 C ATOM 40 O SER A 5 -0.367 3.826 28.090 1.00 0.00 O ATOM 41 CB SER A 5 -2.266 4.679 25.472 1.00 0.00 C ATOM 42 OG SER A 5 -1.941 5.983 25.945 1.00 0.00 O ATOM 0 H SER A 5 -2.730 4.956 28.146 1.00 0.00 H new ATOM 0 HA SER A 5 -2.668 2.715 26.209 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.563 4.391 24.691 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.257 4.694 25.019 1.00 0.00 H new ATOM 0 HG SER A 5 -1.813 6.585 25.182 1.00 0.00 H new ATOM 48 N SER A 6 -0.082 2.632 26.191 1.00 0.00 N ATOM 49 CA SER A 6 1.303 2.299 26.476 1.00 0.00 C ATOM 50 C SER A 6 1.881 1.449 25.343 1.00 0.00 C ATOM 51 O SER A 6 1.689 0.234 25.313 1.00 0.00 O ATOM 52 CB SER A 6 1.428 1.560 27.810 1.00 0.00 C ATOM 53 OG SER A 6 2.758 1.108 28.048 1.00 0.00 O ATOM 0 H SER A 6 -0.439 2.255 25.313 1.00 0.00 H new ATOM 0 HA SER A 6 1.869 3.227 26.551 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.119 2.220 28.620 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.749 0.708 27.817 1.00 0.00 H new ATOM 0 HG SER A 6 2.796 0.643 28.910 1.00 0.00 H new ATOM 59 N GLY A 7 2.577 2.121 24.438 1.00 0.00 N ATOM 60 CA GLY A 7 3.184 1.443 23.306 1.00 0.00 C ATOM 61 C GLY A 7 4.189 2.352 22.596 1.00 0.00 C ATOM 62 O GLY A 7 3.894 2.902 21.536 1.00 0.00 O ATOM 0 H GLY A 7 2.734 3.128 24.466 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.685 0.537 23.646 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.409 1.134 22.604 1.00 0.00 H new ATOM 66 N LYS A 8 5.356 2.483 23.209 1.00 0.00 N ATOM 67 CA LYS A 8 6.407 3.317 22.650 1.00 0.00 C ATOM 68 C LYS A 8 7.678 3.159 23.486 1.00 0.00 C ATOM 69 O LYS A 8 7.762 3.677 24.598 1.00 0.00 O ATOM 70 CB LYS A 8 5.930 4.766 22.523 1.00 0.00 C ATOM 71 CG LYS A 8 5.855 5.192 21.055 1.00 0.00 C ATOM 72 CD LYS A 8 7.087 6.005 20.656 1.00 0.00 C ATOM 73 CE LYS A 8 6.695 7.418 20.219 1.00 0.00 C ATOM 74 NZ LYS A 8 6.770 8.353 21.364 1.00 0.00 N ATOM 0 H LYS A 8 5.597 2.025 24.088 1.00 0.00 H new ATOM 0 HA LYS A 8 6.650 2.995 21.637 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.949 4.872 22.987 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.610 5.425 23.062 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.776 4.309 20.420 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.955 5.784 20.890 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.779 6.059 21.497 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.611 5.502 19.844 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.357 7.756 19.422 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.684 7.412 19.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.501 9.308 21.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.120 8.038 22.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.742 8.371 21.734 1.00 0.00 H new ATOM 88 N THR A 9 8.635 2.439 22.918 1.00 0.00 N ATOM 89 CA THR A 9 9.898 2.206 23.598 1.00 0.00 C ATOM 90 C THR A 9 11.069 2.611 22.700 1.00 0.00 C ATOM 91 O THR A 9 11.903 3.426 23.092 1.00 0.00 O ATOM 92 CB THR A 9 9.941 0.738 24.026 1.00 0.00 C ATOM 93 OG1 THR A 9 9.724 0.017 22.816 1.00 0.00 O ATOM 94 CG2 THR A 9 8.752 0.351 24.908 1.00 0.00 C ATOM 0 H THR A 9 8.561 2.010 21.996 1.00 0.00 H new ATOM 0 HA THR A 9 9.985 2.823 24.492 1.00 0.00 H new ATOM 0 HB THR A 9 10.870 0.543 24.562 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.738 -0.945 23.002 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.831 -0.701 25.184 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.753 0.964 25.809 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.824 0.514 24.360 1.00 0.00 H new ATOM 102 N ASP A 10 11.094 2.023 21.513 1.00 0.00 N ATOM 103 CA ASP A 10 12.149 2.313 20.557 1.00 0.00 C ATOM 104 C ASP A 10 11.530 2.557 19.179 1.00 0.00 C ATOM 105 O ASP A 10 10.482 1.999 18.858 1.00 0.00 O ATOM 106 CB ASP A 10 13.122 1.138 20.437 1.00 0.00 C ATOM 107 CG ASP A 10 12.545 -0.113 19.770 1.00 0.00 C ATOM 108 OD1 ASP A 10 11.881 -0.886 20.493 1.00 0.00 O ATOM 109 OD2 ASP A 10 12.783 -0.267 18.552 1.00 0.00 O ATOM 0 H ASP A 10 10.401 1.347 21.192 1.00 0.00 H new ATOM 0 HA ASP A 10 12.688 3.193 20.907 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.994 1.464 19.870 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.471 0.871 21.435 1.00 0.00 H new ATOM 114 N PRO A 11 12.223 3.413 18.382 1.00 0.00 N ATOM 115 CA PRO A 11 11.752 3.738 17.046 1.00 0.00 C ATOM 116 C PRO A 11 12.004 2.579 16.079 1.00 0.00 C ATOM 117 O PRO A 11 12.889 1.756 16.308 1.00 0.00 O ATOM 118 CB PRO A 11 12.500 5.004 16.662 1.00 0.00 C ATOM 119 CG PRO A 11 13.696 5.082 17.597 1.00 0.00 C ATOM 120 CD PRO A 11 13.468 4.092 18.729 1.00 0.00 C ATOM 0 HA PRO A 11 10.675 3.900 17.008 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.820 4.968 15.621 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.863 5.882 16.769 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.615 4.845 17.062 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.808 6.092 17.990 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.295 3.386 18.810 1.00 0.00 H new ATOM 0 HD3 PRO A 11 13.387 4.601 19.690 1.00 0.00 H new ATOM 128 N ARG A 12 11.209 2.552 15.019 1.00 0.00 N ATOM 129 CA ARG A 12 11.335 1.507 14.017 1.00 0.00 C ATOM 130 C ARG A 12 12.681 1.619 13.299 1.00 0.00 C ATOM 131 O ARG A 12 13.246 2.707 13.197 1.00 0.00 O ATOM 132 CB ARG A 12 10.207 1.595 12.986 1.00 0.00 C ATOM 133 CG ARG A 12 8.936 0.920 13.506 1.00 0.00 C ATOM 134 CD ARG A 12 8.120 1.881 14.373 1.00 0.00 C ATOM 135 NE ARG A 12 6.725 1.401 14.485 1.00 0.00 N ATOM 136 CZ ARG A 12 5.821 1.910 15.334 1.00 0.00 C ATOM 137 NH1 ARG A 12 6.161 2.918 16.150 1.00 0.00 N ATOM 138 NH2 ARG A 12 4.578 1.412 15.367 1.00 0.00 N ATOM 0 H ARG A 12 10.476 3.236 14.832 1.00 0.00 H new ATOM 0 HA ARG A 12 11.271 0.547 14.529 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.000 2.640 12.756 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.521 1.120 12.056 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.331 0.580 12.666 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.201 0.036 14.087 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.567 1.959 15.364 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.136 2.880 13.937 1.00 0.00 H new ATOM 0 HE ARG A 12 6.433 0.635 13.878 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.107 3.298 16.125 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.473 3.305 16.796 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.319 0.645 14.746 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.890 1.799 16.013 1.00 0.00 H new ATOM 152 N SER A 13 13.157 0.479 12.821 1.00 0.00 N ATOM 153 CA SER A 13 14.427 0.435 12.116 1.00 0.00 C ATOM 154 C SER A 13 14.190 0.190 10.625 1.00 0.00 C ATOM 155 O SER A 13 14.603 0.990 9.787 1.00 0.00 O ATOM 156 CB SER A 13 15.340 -0.649 12.693 1.00 0.00 C ATOM 157 OG SER A 13 15.160 -1.902 12.040 1.00 0.00 O ATOM 0 H SER A 13 12.686 -0.422 12.908 1.00 0.00 H new ATOM 0 HA SER A 13 14.923 1.397 12.245 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.380 -0.336 12.597 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.139 -0.763 13.758 1.00 0.00 H new ATOM 0 HG SER A 13 15.762 -2.567 12.436 1.00 0.00 H new ATOM 163 N MET A 14 13.525 -0.920 10.339 1.00 0.00 N ATOM 164 CA MET A 14 13.228 -1.281 8.963 1.00 0.00 C ATOM 165 C MET A 14 11.819 -1.866 8.841 1.00 0.00 C ATOM 166 O MET A 14 11.646 -3.084 8.847 1.00 0.00 O ATOM 167 CB MET A 14 14.251 -2.307 8.471 1.00 0.00 C ATOM 168 CG MET A 14 14.278 -2.365 6.943 1.00 0.00 C ATOM 169 SD MET A 14 15.962 -2.510 6.367 1.00 0.00 S ATOM 170 CE MET A 14 15.878 -1.490 4.904 1.00 0.00 C ATOM 0 H MET A 14 13.184 -1.581 11.037 1.00 0.00 H new ATOM 0 HA MET A 14 13.281 -0.380 8.352 1.00 0.00 H new ATOM 0 HB2 MET A 14 15.241 -2.047 8.846 1.00 0.00 H new ATOM 0 HB3 MET A 14 14.006 -3.291 8.872 1.00 0.00 H new ATOM 0 HG2 MET A 14 13.691 -3.214 6.593 1.00 0.00 H new ATOM 0 HG3 MET A 14 13.819 -1.467 6.529 1.00 0.00 H new ATOM 0 HE1 MET A 14 16.853 -1.470 4.418 1.00 0.00 H new ATOM 0 HE2 MET A 14 15.138 -1.900 4.217 1.00 0.00 H new ATOM 0 HE3 MET A 14 15.591 -0.476 5.183 1.00 0.00 H new ATOM 180 N ASN A 15 10.849 -0.971 8.735 1.00 0.00 N ATOM 181 CA ASN A 15 9.461 -1.383 8.612 1.00 0.00 C ATOM 182 C ASN A 15 8.716 -0.391 7.717 1.00 0.00 C ATOM 183 O ASN A 15 7.957 0.444 8.206 1.00 0.00 O ATOM 184 CB ASN A 15 8.769 -1.400 9.977 1.00 0.00 C ATOM 185 CG ASN A 15 8.676 -2.824 10.527 1.00 0.00 C ATOM 186 OD1 ASN A 15 7.835 -3.616 10.135 1.00 0.00 O ATOM 187 ND2 ASN A 15 9.586 -3.105 11.456 1.00 0.00 N ATOM 0 H ASN A 15 10.996 0.038 8.732 1.00 0.00 H new ATOM 0 HA ASN A 15 9.444 -2.386 8.186 1.00 0.00 H new ATOM 0 HB2 ASN A 15 9.321 -0.772 10.676 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.769 -0.975 9.887 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.608 -4.030 11.885 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.262 -2.395 11.739 1.00 0.00 H new ATOM 194 N SER A 16 8.959 -0.515 6.420 1.00 0.00 N ATOM 195 CA SER A 16 8.321 0.360 5.452 1.00 0.00 C ATOM 196 C SER A 16 7.494 -0.466 4.465 1.00 0.00 C ATOM 197 O SER A 16 8.038 -1.048 3.527 1.00 0.00 O ATOM 198 CB SER A 16 9.356 1.201 4.703 1.00 0.00 C ATOM 199 OG SER A 16 8.800 1.832 3.552 1.00 0.00 O ATOM 0 H SER A 16 9.589 -1.209 6.017 1.00 0.00 H new ATOM 0 HA SER A 16 7.661 1.040 5.990 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.760 1.960 5.373 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.189 0.566 4.401 1.00 0.00 H new ATOM 0 HG SER A 16 8.758 2.800 3.698 1.00 0.00 H new ATOM 205 N ARG A 17 6.192 -0.492 4.709 1.00 0.00 N ATOM 206 CA ARG A 17 5.284 -1.238 3.854 1.00 0.00 C ATOM 207 C ARG A 17 3.923 -0.543 3.791 1.00 0.00 C ATOM 208 O ARG A 17 3.395 -0.110 4.814 1.00 0.00 O ATOM 209 CB ARG A 17 5.096 -2.668 4.364 1.00 0.00 C ATOM 210 CG ARG A 17 5.456 -3.688 3.281 1.00 0.00 C ATOM 211 CD ARG A 17 4.915 -5.075 3.634 1.00 0.00 C ATOM 212 NE ARG A 17 4.995 -5.965 2.454 1.00 0.00 N ATOM 213 CZ ARG A 17 4.644 -7.258 2.462 1.00 0.00 C ATOM 214 NH1 ARG A 17 4.186 -7.820 3.589 1.00 0.00 N ATOM 215 NH2 ARG A 17 4.750 -7.988 1.344 1.00 0.00 N ATOM 0 H ARG A 17 5.744 -0.008 5.487 1.00 0.00 H new ATOM 0 HA ARG A 17 5.723 -1.275 2.857 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.720 -2.830 5.243 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.062 -2.814 4.676 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.047 -3.367 2.323 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.539 -3.734 3.165 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.488 -5.499 4.459 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.881 -4.996 3.971 1.00 0.00 H new ATOM 0 HE ARG A 17 5.339 -5.569 1.579 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.105 -7.263 4.440 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.919 -8.804 3.596 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.098 -7.560 0.486 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.483 -8.972 1.350 1.00 0.00 H new ATOM 229 N VAL A 18 3.392 -0.459 2.580 1.00 0.00 N ATOM 230 CA VAL A 18 2.102 0.176 2.370 1.00 0.00 C ATOM 231 C VAL A 18 1.194 -0.771 1.584 1.00 0.00 C ATOM 232 O VAL A 18 1.553 -1.221 0.497 1.00 0.00 O ATOM 233 CB VAL A 18 2.291 1.530 1.684 1.00 0.00 C ATOM 234 CG1 VAL A 18 0.941 2.171 1.356 1.00 0.00 C ATOM 235 CG2 VAL A 18 3.148 2.465 2.541 1.00 0.00 C ATOM 0 H VAL A 18 3.832 -0.820 1.734 1.00 0.00 H new ATOM 0 HA VAL A 18 1.615 0.376 3.324 1.00 0.00 H new ATOM 0 HB VAL A 18 2.818 1.359 0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.104 3.132 0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.380 1.517 0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.376 2.321 2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.267 3.420 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.661 2.626 3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.128 2.015 2.702 1.00 0.00 H new ATOM 245 N PHE A 19 0.035 -1.047 2.164 1.00 0.00 N ATOM 246 CA PHE A 19 -0.927 -1.932 1.531 1.00 0.00 C ATOM 247 C PHE A 19 -1.967 -1.137 0.740 1.00 0.00 C ATOM 248 O PHE A 19 -2.743 -0.376 1.317 1.00 0.00 O ATOM 249 CB PHE A 19 -1.632 -2.700 2.650 1.00 0.00 C ATOM 250 CG PHE A 19 -2.980 -3.299 2.241 1.00 0.00 C ATOM 251 CD1 PHE A 19 -4.110 -2.547 2.321 1.00 0.00 C ATOM 252 CD2 PHE A 19 -3.047 -4.583 1.798 1.00 0.00 C ATOM 253 CE1 PHE A 19 -5.361 -3.102 1.941 1.00 0.00 C ATOM 254 CE2 PHE A 19 -4.298 -5.138 1.419 1.00 0.00 C ATOM 255 CZ PHE A 19 -5.428 -4.386 1.498 1.00 0.00 C ATOM 0 H PHE A 19 -0.259 -0.673 3.066 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.417 -2.601 0.838 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.979 -3.502 2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.786 -2.030 3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.056 -1.528 2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.149 -5.180 1.734 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.259 -2.505 2.004 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.352 -6.158 1.068 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.379 -4.808 1.209 1.00 0.00 H new ATOM 265 N ILE A 20 -1.950 -1.339 -0.569 1.00 0.00 N ATOM 266 CA ILE A 20 -2.883 -0.650 -1.445 1.00 0.00 C ATOM 267 C ILE A 20 -4.087 -1.555 -1.714 1.00 0.00 C ATOM 268 O ILE A 20 -4.007 -2.476 -2.525 1.00 0.00 O ATOM 269 CB ILE A 20 -2.174 -0.176 -2.716 1.00 0.00 C ATOM 270 CG1 ILE A 20 -0.979 0.717 -2.376 1.00 0.00 C ATOM 271 CG2 ILE A 20 -3.155 0.514 -3.666 1.00 0.00 C ATOM 272 CD1 ILE A 20 0.113 -0.078 -1.658 1.00 0.00 C ATOM 0 H ILE A 20 -1.305 -1.970 -1.045 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.262 0.251 -0.964 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.784 -1.051 -3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.575 1.153 -3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.306 1.544 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.626 0.841 -4.561 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.943 -0.185 -3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.596 1.378 -3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.951 0.580 -1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.287 -0.493 -0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.455 -0.889 -2.301 1.00 0.00 H new ATOM 284 N GLY A 21 -5.175 -1.260 -1.018 1.00 0.00 N ATOM 285 CA GLY A 21 -6.395 -2.035 -1.171 1.00 0.00 C ATOM 286 C GLY A 21 -7.342 -1.373 -2.173 1.00 0.00 C ATOM 287 O GLY A 21 -7.058 -0.289 -2.680 1.00 0.00 O ATOM 0 H GLY A 21 -5.237 -0.495 -0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.150 -3.043 -1.507 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.892 -2.133 -0.206 1.00 0.00 H new ATOM 291 N ASN A 22 -8.450 -2.054 -2.430 1.00 0.00 N ATOM 292 CA ASN A 22 -9.441 -1.546 -3.363 1.00 0.00 C ATOM 293 C ASN A 22 -8.731 -0.901 -4.554 1.00 0.00 C ATOM 294 O ASN A 22 -9.065 0.214 -4.951 1.00 0.00 O ATOM 295 CB ASN A 22 -10.323 -0.482 -2.705 1.00 0.00 C ATOM 296 CG ASN A 22 -11.722 -0.472 -3.322 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.390 -1.487 -3.430 1.00 0.00 O ATOM 298 ND2 ASN A 22 -12.128 0.730 -3.721 1.00 0.00 N ATOM 0 H ASN A 22 -8.683 -2.953 -2.008 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.063 -2.382 -3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.395 -0.675 -1.635 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.863 0.499 -2.821 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.048 0.842 -4.147 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.519 1.540 -3.601 1.00 0.00 H new ATOM 305 N LEU A 23 -7.763 -1.629 -5.091 1.00 0.00 N ATOM 306 CA LEU A 23 -7.002 -1.142 -6.228 1.00 0.00 C ATOM 307 C LEU A 23 -7.523 -1.803 -7.506 1.00 0.00 C ATOM 308 O LEU A 23 -7.383 -3.012 -7.684 1.00 0.00 O ATOM 309 CB LEU A 23 -5.503 -1.345 -5.998 1.00 0.00 C ATOM 310 CG LEU A 23 -4.570 -0.489 -6.857 1.00 0.00 C ATOM 311 CD1 LEU A 23 -3.189 -1.135 -6.977 1.00 0.00 C ATOM 312 CD2 LEU A 23 -5.192 -0.205 -8.226 1.00 0.00 C ATOM 0 H LEU A 23 -7.488 -2.553 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.140 -0.067 -6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.286 -1.143 -4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.267 -2.394 -6.176 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.433 0.472 -6.360 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.546 -0.506 -7.593 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.750 -1.242 -5.985 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.286 -2.117 -7.439 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.509 0.405 -8.817 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.378 -1.146 -8.743 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.133 0.329 -8.094 1.00 0.00 H new ATOM 324 N ASN A 24 -8.113 -0.981 -8.362 1.00 0.00 N ATOM 325 CA ASN A 24 -8.655 -1.472 -9.617 1.00 0.00 C ATOM 326 C ASN A 24 -7.515 -2.003 -10.488 1.00 0.00 C ATOM 327 O ASN A 24 -7.048 -1.314 -11.394 1.00 0.00 O ATOM 328 CB ASN A 24 -9.357 -0.352 -10.389 1.00 0.00 C ATOM 329 CG ASN A 24 -10.752 -0.789 -10.840 1.00 0.00 C ATOM 330 OD1 ASN A 24 -11.739 -0.625 -10.141 1.00 0.00 O ATOM 331 ND2 ASN A 24 -10.779 -1.352 -12.045 1.00 0.00 N ATOM 0 H ASN A 24 -8.227 0.021 -8.211 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.374 -2.259 -9.389 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.435 0.535 -9.760 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.760 -0.075 -11.258 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.663 -1.677 -12.436 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.916 -1.459 -12.577 1.00 0.00 H new ATOM 338 N THR A 25 -7.098 -3.223 -10.183 1.00 0.00 N ATOM 339 CA THR A 25 -6.021 -3.854 -10.926 1.00 0.00 C ATOM 340 C THR A 25 -6.509 -4.284 -12.310 1.00 0.00 C ATOM 341 O THR A 25 -5.759 -4.886 -13.078 1.00 0.00 O ATOM 342 CB THR A 25 -5.482 -5.013 -10.085 1.00 0.00 C ATOM 343 OG1 THR A 25 -6.558 -5.945 -10.047 1.00 0.00 O ATOM 344 CG2 THR A 25 -5.273 -4.625 -8.619 1.00 0.00 C ATOM 0 H THR A 25 -7.487 -3.792 -9.431 1.00 0.00 H new ATOM 0 HA THR A 25 -5.203 -3.156 -11.106 1.00 0.00 H new ATOM 0 HB THR A 25 -4.539 -5.359 -10.507 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.723 -6.216 -9.120 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.890 -5.483 -8.067 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.557 -3.805 -8.558 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.223 -4.310 -8.187 1.00 0.00 H new ATOM 352 N LEU A 26 -7.764 -3.960 -12.588 1.00 0.00 N ATOM 353 CA LEU A 26 -8.361 -4.305 -13.866 1.00 0.00 C ATOM 354 C LEU A 26 -8.079 -3.189 -14.874 1.00 0.00 C ATOM 355 O LEU A 26 -8.366 -3.333 -16.062 1.00 0.00 O ATOM 356 CB LEU A 26 -9.849 -4.618 -13.696 1.00 0.00 C ATOM 357 CG LEU A 26 -10.230 -6.100 -13.716 1.00 0.00 C ATOM 358 CD1 LEU A 26 -11.675 -6.301 -13.256 1.00 0.00 C ATOM 359 CD2 LEU A 26 -9.976 -6.712 -15.095 1.00 0.00 C ATOM 0 H LEU A 26 -8.383 -3.462 -11.949 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.911 -5.215 -14.263 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.184 -4.190 -12.751 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.399 -4.111 -14.489 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.591 -6.627 -13.007 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.920 -7.363 -13.280 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.789 -5.925 -12.239 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.347 -5.759 -13.921 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.255 -7.766 -15.082 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.573 -6.188 -15.841 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.919 -6.619 -15.345 1.00 0.00 H new ATOM 371 N VAL A 27 -7.519 -2.102 -14.364 1.00 0.00 N ATOM 372 CA VAL A 27 -7.194 -0.963 -15.205 1.00 0.00 C ATOM 373 C VAL A 27 -5.844 -0.385 -14.775 1.00 0.00 C ATOM 374 O VAL A 27 -4.961 -0.177 -15.606 1.00 0.00 O ATOM 375 CB VAL A 27 -8.327 0.065 -15.154 1.00 0.00 C ATOM 376 CG1 VAL A 27 -9.520 -0.392 -15.997 1.00 0.00 C ATOM 377 CG2 VAL A 27 -8.751 0.343 -13.710 1.00 0.00 C ATOM 0 H VAL A 27 -7.282 -1.986 -13.379 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.099 -1.272 -16.246 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.953 0.997 -15.579 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.311 0.356 -15.944 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.207 -0.516 -17.034 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.893 -1.342 -15.615 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.557 1.077 -13.702 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.097 -0.582 -13.248 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.901 0.732 -13.150 1.00 0.00 H new ATOM 387 N VAL A 28 -5.726 -0.142 -13.478 1.00 0.00 N ATOM 388 CA VAL A 28 -4.498 0.407 -12.928 1.00 0.00 C ATOM 389 C VAL A 28 -3.370 -0.612 -13.094 1.00 0.00 C ATOM 390 O VAL A 28 -3.613 -1.818 -13.102 1.00 0.00 O ATOM 391 CB VAL A 28 -4.718 0.824 -11.473 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.617 1.777 -11.004 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.101 1.449 -11.284 1.00 0.00 C ATOM 0 H VAL A 28 -6.461 -0.315 -12.792 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.205 1.307 -13.469 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.670 -0.074 -10.857 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.797 2.058 -9.966 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.649 1.282 -11.083 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.619 2.671 -11.628 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.231 1.736 -10.241 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.191 2.332 -11.917 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.868 0.725 -11.559 1.00 0.00 H new ATOM 403 N LYS A 29 -2.159 -0.091 -13.224 1.00 0.00 N ATOM 404 CA LYS A 29 -0.991 -0.940 -13.389 1.00 0.00 C ATOM 405 C LYS A 29 -0.108 -0.834 -12.144 1.00 0.00 C ATOM 406 O LYS A 29 -0.456 -0.141 -11.189 1.00 0.00 O ATOM 407 CB LYS A 29 -0.263 -0.601 -14.691 1.00 0.00 C ATOM 408 CG LYS A 29 -0.451 -1.710 -15.729 1.00 0.00 C ATOM 409 CD LYS A 29 0.749 -2.659 -15.741 1.00 0.00 C ATOM 410 CE LYS A 29 0.590 -3.758 -14.689 1.00 0.00 C ATOM 411 NZ LYS A 29 0.337 -5.064 -15.337 1.00 0.00 N ATOM 0 H LYS A 29 -1.961 0.910 -13.218 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.289 -1.985 -13.480 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.640 0.341 -15.088 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.799 -0.461 -14.492 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.360 -2.270 -15.508 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.581 -1.270 -16.718 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.852 -3.108 -16.729 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.663 -2.097 -15.550 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.490 -3.817 -14.078 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.234 -3.512 -14.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.232 -5.798 -14.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.535 -5.008 -15.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.136 -5.304 -15.958 1.00 0.00 H new ATOM 425 N LYS A 30 1.017 -1.531 -12.195 1.00 0.00 N ATOM 426 CA LYS A 30 1.953 -1.524 -11.084 1.00 0.00 C ATOM 427 C LYS A 30 2.762 -0.226 -11.112 1.00 0.00 C ATOM 428 O LYS A 30 3.322 0.183 -10.096 1.00 0.00 O ATOM 429 CB LYS A 30 2.816 -2.787 -11.102 1.00 0.00 C ATOM 430 CG LYS A 30 3.033 -3.324 -9.685 1.00 0.00 C ATOM 431 CD LYS A 30 2.705 -4.816 -9.608 1.00 0.00 C ATOM 432 CE LYS A 30 3.979 -5.651 -9.462 1.00 0.00 C ATOM 433 NZ LYS A 30 4.478 -6.070 -10.790 1.00 0.00 N ATOM 0 H LYS A 30 1.302 -2.105 -12.989 1.00 0.00 H new ATOM 0 HA LYS A 30 1.417 -1.546 -10.135 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.337 -3.551 -11.715 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.779 -2.567 -11.563 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.068 -3.160 -9.384 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.406 -2.773 -8.984 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.044 -5.003 -8.762 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.167 -5.121 -10.506 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.744 -5.071 -8.946 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.777 -6.529 -8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.343 -6.636 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.753 -6.641 -11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.690 -5.228 -11.363 1.00 0.00 H new ATOM 447 N SER A 31 2.798 0.386 -12.287 1.00 0.00 N ATOM 448 CA SER A 31 3.530 1.629 -12.461 1.00 0.00 C ATOM 449 C SER A 31 2.671 2.810 -12.004 1.00 0.00 C ATOM 450 O SER A 31 3.161 3.933 -11.894 1.00 0.00 O ATOM 451 CB SER A 31 3.957 1.817 -13.918 1.00 0.00 C ATOM 452 OG SER A 31 5.268 1.313 -14.159 1.00 0.00 O ATOM 0 H SER A 31 2.332 0.044 -13.127 1.00 0.00 H new ATOM 0 HA SER A 31 4.431 1.584 -11.849 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.248 1.310 -14.572 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.923 2.876 -14.172 1.00 0.00 H new ATOM 0 HG SER A 31 5.503 1.450 -15.100 1.00 0.00 H new ATOM 458 N ASP A 32 1.405 2.516 -11.749 1.00 0.00 N ATOM 459 CA ASP A 32 0.473 3.539 -11.306 1.00 0.00 C ATOM 460 C ASP A 32 0.586 3.703 -9.789 1.00 0.00 C ATOM 461 O ASP A 32 0.431 4.806 -9.266 1.00 0.00 O ATOM 462 CB ASP A 32 -0.970 3.150 -11.633 1.00 0.00 C ATOM 463 CG ASP A 32 -1.854 4.298 -12.123 1.00 0.00 C ATOM 464 OD1 ASP A 32 -1.413 4.993 -13.063 1.00 0.00 O ATOM 465 OD2 ASP A 32 -2.952 4.455 -11.545 1.00 0.00 O ATOM 0 H ASP A 32 1.002 1.583 -11.841 1.00 0.00 H new ATOM 0 HA ASP A 32 0.721 4.467 -11.821 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.957 2.371 -12.395 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.424 2.716 -10.742 1.00 0.00 H new ATOM 470 N VAL A 33 0.855 2.589 -9.124 1.00 0.00 N ATOM 471 CA VAL A 33 0.991 2.595 -7.677 1.00 0.00 C ATOM 472 C VAL A 33 2.468 2.747 -7.308 1.00 0.00 C ATOM 473 O VAL A 33 2.798 3.034 -6.158 1.00 0.00 O ATOM 474 CB VAL A 33 0.353 1.336 -7.086 1.00 0.00 C ATOM 475 CG1 VAL A 33 0.366 1.380 -5.557 1.00 0.00 C ATOM 476 CG2 VAL A 33 -1.068 1.140 -7.617 1.00 0.00 C ATOM 0 H VAL A 33 0.982 1.676 -9.561 1.00 0.00 H new ATOM 0 HA VAL A 33 0.460 3.444 -7.247 1.00 0.00 H new ATOM 0 HB VAL A 33 0.949 0.480 -7.401 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.093 0.473 -5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.395 1.449 -5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.194 2.249 -5.213 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.498 0.238 -7.181 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.679 2.001 -7.347 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.040 1.041 -8.702 1.00 0.00 H new ATOM 486 N GLU A 34 3.317 2.547 -8.305 1.00 0.00 N ATOM 487 CA GLU A 34 4.751 2.658 -8.099 1.00 0.00 C ATOM 488 C GLU A 34 5.218 4.090 -8.372 1.00 0.00 C ATOM 489 O GLU A 34 6.172 4.563 -7.757 1.00 0.00 O ATOM 490 CB GLU A 34 5.510 1.659 -8.975 1.00 0.00 C ATOM 491 CG GLU A 34 5.609 0.294 -8.290 1.00 0.00 C ATOM 492 CD GLU A 34 6.460 -0.673 -9.115 1.00 0.00 C ATOM 493 OE1 GLU A 34 5.953 -1.120 -10.167 1.00 0.00 O ATOM 494 OE2 GLU A 34 7.599 -0.943 -8.676 1.00 0.00 O ATOM 0 H GLU A 34 3.040 2.309 -9.257 1.00 0.00 H new ATOM 0 HA GLU A 34 4.968 2.418 -7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.003 1.553 -9.934 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.510 2.039 -9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.045 0.412 -7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.611 -0.121 -8.152 1.00 0.00 H new ATOM 501 N ALA A 35 4.522 4.739 -9.294 1.00 0.00 N ATOM 502 CA ALA A 35 4.853 6.107 -9.656 1.00 0.00 C ATOM 503 C ALA A 35 4.110 7.069 -8.727 1.00 0.00 C ATOM 504 O ALA A 35 4.727 7.909 -8.074 1.00 0.00 O ATOM 505 CB ALA A 35 4.515 6.342 -11.129 1.00 0.00 C ATOM 0 H ALA A 35 3.731 4.343 -9.801 1.00 0.00 H new ATOM 0 HA ALA A 35 5.921 6.289 -9.534 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.763 7.368 -11.400 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.090 5.654 -11.749 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.450 6.172 -11.290 1.00 0.00 H new ATOM 511 N ILE A 36 2.794 6.914 -8.697 1.00 0.00 N ATOM 512 CA ILE A 36 1.960 7.759 -7.859 1.00 0.00 C ATOM 513 C ILE A 36 2.525 7.776 -6.437 1.00 0.00 C ATOM 514 O ILE A 36 2.372 8.761 -5.716 1.00 0.00 O ATOM 515 CB ILE A 36 0.499 7.313 -7.935 1.00 0.00 C ATOM 516 CG1 ILE A 36 -0.027 7.397 -9.369 1.00 0.00 C ATOM 517 CG2 ILE A 36 -0.369 8.109 -6.958 1.00 0.00 C ATOM 518 CD1 ILE A 36 -1.436 6.811 -9.472 1.00 0.00 C ATOM 0 H ILE A 36 2.285 6.216 -9.239 1.00 0.00 H new ATOM 0 HA ILE A 36 1.974 8.787 -8.220 1.00 0.00 H new ATOM 0 HB ILE A 36 0.446 6.267 -7.634 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.037 8.437 -9.696 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.644 6.859 -10.038 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.403 7.772 -7.032 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.009 7.953 -5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.314 9.170 -7.204 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.786 6.883 -10.502 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.418 5.765 -9.168 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.110 7.367 -8.820 1.00 0.00 H new ATOM 530 N PHE A 37 3.166 6.674 -6.076 1.00 0.00 N ATOM 531 CA PHE A 37 3.754 6.550 -4.753 1.00 0.00 C ATOM 532 C PHE A 37 5.217 6.999 -4.759 1.00 0.00 C ATOM 533 O PHE A 37 5.740 7.437 -3.736 1.00 0.00 O ATOM 534 CB PHE A 37 3.690 5.070 -4.372 1.00 0.00 C ATOM 535 CG PHE A 37 2.278 4.568 -4.061 1.00 0.00 C ATOM 536 CD1 PHE A 37 1.298 4.671 -4.998 1.00 0.00 C ATOM 537 CD2 PHE A 37 2.003 4.020 -2.847 1.00 0.00 C ATOM 538 CE1 PHE A 37 -0.012 4.206 -4.709 1.00 0.00 C ATOM 539 CE2 PHE A 37 0.693 3.554 -2.558 1.00 0.00 C ATOM 540 CZ PHE A 37 -0.287 3.657 -3.496 1.00 0.00 C ATOM 0 H PHE A 37 3.291 5.859 -6.677 1.00 0.00 H new ATOM 0 HA PHE A 37 3.212 7.177 -4.045 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.104 4.477 -5.188 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.324 4.902 -3.502 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.516 5.106 -5.962 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.781 3.939 -2.102 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.790 4.288 -5.453 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.475 3.118 -1.594 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.283 3.303 -3.277 1.00 0.00 H new ATOM 550 N SER A 38 5.836 6.876 -5.924 1.00 0.00 N ATOM 551 CA SER A 38 7.228 7.264 -6.077 1.00 0.00 C ATOM 552 C SER A 38 7.427 8.701 -5.591 1.00 0.00 C ATOM 553 O SER A 38 8.487 9.042 -5.070 1.00 0.00 O ATOM 554 CB SER A 38 7.681 7.128 -7.532 1.00 0.00 C ATOM 555 OG SER A 38 8.805 7.954 -7.821 1.00 0.00 O ATOM 0 H SER A 38 5.399 6.513 -6.771 1.00 0.00 H new ATOM 0 HA SER A 38 7.838 6.594 -5.471 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.933 6.088 -7.737 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.857 7.393 -8.194 1.00 0.00 H new ATOM 0 HG SER A 38 9.064 7.837 -8.759 1.00 0.00 H new ATOM 561 N LYS A 39 6.390 9.504 -5.779 1.00 0.00 N ATOM 562 CA LYS A 39 6.438 10.896 -5.367 1.00 0.00 C ATOM 563 C LYS A 39 6.493 10.969 -3.839 1.00 0.00 C ATOM 564 O LYS A 39 7.099 11.882 -3.280 1.00 0.00 O ATOM 565 CB LYS A 39 5.272 11.677 -5.978 1.00 0.00 C ATOM 566 CG LYS A 39 3.965 11.374 -5.243 1.00 0.00 C ATOM 567 CD LYS A 39 2.756 11.635 -6.145 1.00 0.00 C ATOM 568 CE LYS A 39 2.259 13.073 -5.992 1.00 0.00 C ATOM 569 NZ LYS A 39 0.829 13.169 -6.361 1.00 0.00 N ATOM 0 H LYS A 39 5.512 9.217 -6.211 1.00 0.00 H new ATOM 0 HA LYS A 39 7.343 11.373 -5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.481 12.746 -5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.169 11.419 -7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.961 10.335 -4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.895 11.992 -4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.026 11.448 -7.184 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.954 10.941 -5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.398 13.405 -4.963 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.849 13.737 -6.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.507 14.152 -6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.705 12.872 -7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.268 12.550 -5.741 1.00 0.00 H new ATOM 583 N TYR A 40 5.853 9.996 -3.209 1.00 0.00 N ATOM 584 CA TYR A 40 5.822 9.938 -1.757 1.00 0.00 C ATOM 585 C TYR A 40 7.077 9.256 -1.208 1.00 0.00 C ATOM 586 O TYR A 40 7.146 8.937 -0.023 1.00 0.00 O ATOM 587 CB TYR A 40 4.598 9.096 -1.395 1.00 0.00 C ATOM 588 CG TYR A 40 3.270 9.847 -1.506 1.00 0.00 C ATOM 589 CD1 TYR A 40 3.152 11.121 -0.987 1.00 0.00 C ATOM 590 CD2 TYR A 40 2.189 9.252 -2.125 1.00 0.00 C ATOM 591 CE1 TYR A 40 1.902 11.828 -1.092 1.00 0.00 C ATOM 592 CE2 TYR A 40 0.939 9.959 -2.230 1.00 0.00 C ATOM 593 CZ TYR A 40 0.858 11.213 -1.708 1.00 0.00 C ATOM 594 OH TYR A 40 -0.323 11.881 -1.807 1.00 0.00 O ATOM 0 H TYR A 40 5.352 9.241 -3.677 1.00 0.00 H new ATOM 0 HA TYR A 40 5.779 10.942 -1.334 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.565 8.223 -2.047 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.711 8.729 -0.375 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.997 11.587 -0.502 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.281 8.255 -2.531 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.796 12.825 -0.690 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.086 9.505 -2.712 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.318 12.647 -1.196 1.00 0.00 H new ATOM 604 N GLY A 41 8.038 9.053 -2.097 1.00 0.00 N ATOM 605 CA GLY A 41 9.286 8.414 -1.717 1.00 0.00 C ATOM 606 C GLY A 41 9.727 7.399 -2.773 1.00 0.00 C ATOM 607 O GLY A 41 8.965 7.074 -3.683 1.00 0.00 O ATOM 0 H GLY A 41 7.977 9.320 -3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.061 9.170 -1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.165 7.914 -0.756 1.00 0.00 H new ATOM 611 N LYS A 42 10.954 6.925 -2.618 1.00 0.00 N ATOM 612 CA LYS A 42 11.505 5.953 -3.547 1.00 0.00 C ATOM 613 C LYS A 42 11.020 4.554 -3.162 1.00 0.00 C ATOM 614 O LYS A 42 11.159 4.140 -2.012 1.00 0.00 O ATOM 615 CB LYS A 42 13.029 6.080 -3.613 1.00 0.00 C ATOM 616 CG LYS A 42 13.645 4.892 -4.355 1.00 0.00 C ATOM 617 CD LYS A 42 14.709 5.361 -5.351 1.00 0.00 C ATOM 618 CE LYS A 42 16.117 5.135 -4.795 1.00 0.00 C ATOM 619 NZ LYS A 42 16.900 6.390 -4.842 1.00 0.00 N ATOM 0 H LYS A 42 11.583 7.196 -1.862 1.00 0.00 H new ATOM 0 HA LYS A 42 11.148 6.147 -4.558 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.299 7.008 -4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.437 6.135 -2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.091 4.202 -3.638 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.865 4.343 -4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.595 4.822 -6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.566 6.419 -5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.055 4.776 -3.768 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.623 4.362 -5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.853 6.219 -4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.974 6.716 -5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.424 7.118 -4.271 1.00 0.00 H new ATOM 633 N ILE A 43 10.462 3.865 -4.146 1.00 0.00 N ATOM 634 CA ILE A 43 9.955 2.521 -3.924 1.00 0.00 C ATOM 635 C ILE A 43 11.070 1.509 -4.199 1.00 0.00 C ATOM 636 O ILE A 43 11.796 1.634 -5.184 1.00 0.00 O ATOM 637 CB ILE A 43 8.690 2.282 -4.751 1.00 0.00 C ATOM 638 CG1 ILE A 43 7.605 3.302 -4.399 1.00 0.00 C ATOM 639 CG2 ILE A 43 8.196 0.843 -4.594 1.00 0.00 C ATOM 640 CD1 ILE A 43 6.417 3.191 -5.357 1.00 0.00 C ATOM 0 H ILE A 43 10.350 4.212 -5.099 1.00 0.00 H new ATOM 0 HA ILE A 43 9.656 2.393 -2.884 1.00 0.00 H new ATOM 0 HB ILE A 43 8.937 2.424 -5.803 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.268 3.141 -3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.020 4.309 -4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.296 0.700 -5.192 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.970 0.154 -4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.970 0.648 -3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.660 3.927 -5.085 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.754 3.377 -6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.990 2.190 -5.292 1.00 0.00 H new ATOM 652 N VAL A 44 11.169 0.531 -3.312 1.00 0.00 N ATOM 653 CA VAL A 44 12.182 -0.502 -3.447 1.00 0.00 C ATOM 654 C VAL A 44 11.518 -1.808 -3.888 1.00 0.00 C ATOM 655 O VAL A 44 12.154 -2.648 -4.524 1.00 0.00 O ATOM 656 CB VAL A 44 12.964 -0.641 -2.139 1.00 0.00 C ATOM 657 CG1 VAL A 44 13.577 0.697 -1.722 1.00 0.00 C ATOM 658 CG2 VAL A 44 12.079 -1.209 -1.028 1.00 0.00 C ATOM 0 H VAL A 44 10.564 0.432 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 44 12.905 -0.230 -4.216 1.00 0.00 H new ATOM 0 HB VAL A 44 13.779 -1.344 -2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.127 0.570 -0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.257 1.044 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.784 1.431 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.660 -1.297 -0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.233 -0.542 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.713 -2.193 -1.322 1.00 0.00 H new ATOM 668 N GLY A 45 10.248 -1.938 -3.534 1.00 0.00 N ATOM 669 CA GLY A 45 9.491 -3.127 -3.886 1.00 0.00 C ATOM 670 C GLY A 45 7.986 -2.855 -3.830 1.00 0.00 C ATOM 671 O GLY A 45 7.459 -2.473 -2.786 1.00 0.00 O ATOM 0 H GLY A 45 9.724 -1.239 -3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.768 -3.455 -4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.743 -3.938 -3.203 1.00 0.00 H new ATOM 675 N CYS A 46 7.337 -3.064 -4.966 1.00 0.00 N ATOM 676 CA CYS A 46 5.903 -2.846 -5.059 1.00 0.00 C ATOM 677 C CYS A 46 5.279 -4.054 -5.761 1.00 0.00 C ATOM 678 O CYS A 46 5.800 -4.528 -6.770 1.00 0.00 O ATOM 679 CB CYS A 46 5.575 -1.536 -5.777 1.00 0.00 C ATOM 680 SG CYS A 46 3.772 -1.412 -6.061 1.00 0.00 S ATOM 0 H CYS A 46 7.777 -3.382 -5.829 1.00 0.00 H new ATOM 0 HA CYS A 46 5.481 -2.750 -4.059 1.00 0.00 H new ATOM 0 HB2 CYS A 46 5.917 -0.690 -5.181 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.105 -1.491 -6.728 1.00 0.00 H new ATOM 0 HG CYS A 46 3.138 -1.977 -5.077 1.00 0.00 H new ATOM 686 N SER A 47 4.171 -4.517 -5.201 1.00 0.00 N ATOM 687 CA SER A 47 3.470 -5.660 -5.761 1.00 0.00 C ATOM 688 C SER A 47 1.971 -5.366 -5.843 1.00 0.00 C ATOM 689 O SER A 47 1.445 -4.579 -5.056 1.00 0.00 O ATOM 690 CB SER A 47 3.719 -6.920 -4.930 1.00 0.00 C ATOM 691 OG SER A 47 5.107 -7.132 -4.685 1.00 0.00 O ATOM 0 H SER A 47 3.741 -4.121 -4.365 1.00 0.00 H new ATOM 0 HA SER A 47 3.854 -5.838 -6.765 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.191 -6.838 -3.980 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.306 -7.785 -5.450 1.00 0.00 H new ATOM 0 HG SER A 47 5.224 -7.945 -4.150 1.00 0.00 H new ATOM 697 N VAL A 48 1.325 -6.013 -6.801 1.00 0.00 N ATOM 698 CA VAL A 48 -0.103 -5.830 -6.996 1.00 0.00 C ATOM 699 C VAL A 48 -0.769 -7.197 -7.168 1.00 0.00 C ATOM 700 O VAL A 48 -0.426 -7.948 -8.079 1.00 0.00 O ATOM 701 CB VAL A 48 -0.355 -4.890 -8.176 1.00 0.00 C ATOM 702 CG1 VAL A 48 -1.854 -4.727 -8.438 1.00 0.00 C ATOM 703 CG2 VAL A 48 0.313 -3.533 -7.948 1.00 0.00 C ATOM 0 H VAL A 48 1.764 -6.665 -7.451 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.550 -5.358 -6.121 1.00 0.00 H new ATOM 0 HB VAL A 48 0.092 -5.339 -9.063 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.005 -4.054 -9.282 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.291 -5.699 -8.667 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.335 -4.312 -7.552 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.118 -2.884 -8.802 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.091 -3.076 -7.045 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.388 -3.671 -7.835 1.00 0.00 H new ATOM 713 N HIS A 49 -1.709 -7.478 -6.277 1.00 0.00 N ATOM 714 CA HIS A 49 -2.425 -8.742 -6.319 1.00 0.00 C ATOM 715 C HIS A 49 -3.905 -8.483 -6.612 1.00 0.00 C ATOM 716 O HIS A 49 -4.515 -7.600 -6.011 1.00 0.00 O ATOM 717 CB HIS A 49 -2.206 -9.534 -5.029 1.00 0.00 C ATOM 718 CG HIS A 49 -0.756 -9.834 -4.732 1.00 0.00 C ATOM 719 ND1 HIS A 49 -0.070 -10.880 -5.323 1.00 0.00 N ATOM 720 CD2 HIS A 49 0.130 -9.214 -3.900 1.00 0.00 C ATOM 721 CE1 HIS A 49 1.172 -10.881 -4.861 1.00 0.00 C ATOM 722 NE2 HIS A 49 1.294 -9.848 -3.979 1.00 0.00 N ATOM 0 H HIS A 49 -1.991 -6.852 -5.522 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.032 -9.360 -7.127 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.629 -8.974 -4.195 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.755 -10.473 -5.094 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.080 -8.354 -3.282 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.951 -11.577 -5.135 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.140 -9.603 -3.465 1.00 0.00 H new ATOM 730 N LYS A 50 -4.439 -9.269 -7.535 1.00 0.00 N ATOM 731 CA LYS A 50 -5.835 -9.137 -7.914 1.00 0.00 C ATOM 732 C LYS A 50 -6.677 -8.880 -6.663 1.00 0.00 C ATOM 733 O LYS A 50 -7.035 -9.815 -5.949 1.00 0.00 O ATOM 734 CB LYS A 50 -6.289 -10.354 -8.722 1.00 0.00 C ATOM 735 CG LYS A 50 -6.391 -10.018 -10.211 1.00 0.00 C ATOM 736 CD LYS A 50 -6.682 -11.272 -11.038 1.00 0.00 C ATOM 737 CE LYS A 50 -7.469 -10.925 -12.302 1.00 0.00 C ATOM 738 NZ LYS A 50 -7.432 -12.051 -13.262 1.00 0.00 N ATOM 0 H LYS A 50 -3.930 -10.000 -8.032 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.971 -8.279 -8.572 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.585 -11.173 -8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.257 -10.697 -8.356 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.181 -9.283 -10.368 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.460 -9.563 -10.549 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.745 -11.758 -11.311 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.247 -11.985 -10.438 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.502 -10.695 -12.042 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.050 -10.031 -12.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.971 -11.798 -14.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.446 -12.252 -13.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.853 -12.895 -12.824 1.00 0.00 H new ATOM 752 N GLY A 51 -6.968 -7.607 -6.435 1.00 0.00 N ATOM 753 CA GLY A 51 -7.761 -7.216 -5.283 1.00 0.00 C ATOM 754 C GLY A 51 -7.088 -6.075 -4.516 1.00 0.00 C ATOM 755 O GLY A 51 -7.756 -5.143 -4.072 1.00 0.00 O ATOM 0 H GLY A 51 -6.668 -6.834 -7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.753 -6.904 -5.609 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.897 -8.073 -4.623 1.00 0.00 H new ATOM 759 N PHE A 52 -5.775 -6.187 -4.385 1.00 0.00 N ATOM 760 CA PHE A 52 -5.004 -5.177 -3.680 1.00 0.00 C ATOM 761 C PHE A 52 -3.566 -5.123 -4.199 1.00 0.00 C ATOM 762 O PHE A 52 -3.249 -5.727 -5.223 1.00 0.00 O ATOM 763 CB PHE A 52 -4.986 -5.578 -2.203 1.00 0.00 C ATOM 764 CG PHE A 52 -4.461 -6.993 -1.949 1.00 0.00 C ATOM 765 CD1 PHE A 52 -3.140 -7.269 -2.119 1.00 0.00 C ATOM 766 CD2 PHE A 52 -5.315 -7.974 -1.553 1.00 0.00 C ATOM 767 CE1 PHE A 52 -2.653 -8.581 -1.882 1.00 0.00 C ATOM 768 CE2 PHE A 52 -4.828 -9.287 -1.317 1.00 0.00 C ATOM 769 CZ PHE A 52 -3.507 -9.563 -1.487 1.00 0.00 C ATOM 0 H PHE A 52 -5.225 -6.962 -4.755 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.453 -4.195 -3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.369 -4.868 -1.652 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.997 -5.499 -1.803 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.462 -6.490 -2.434 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.364 -7.755 -1.418 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.604 -8.800 -2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.506 -10.066 -1.003 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.136 -10.562 -1.308 1.00 0.00 H new ATOM 779 N ALA A 53 -2.734 -4.395 -3.469 1.00 0.00 N ATOM 780 CA ALA A 53 -1.337 -4.254 -3.843 1.00 0.00 C ATOM 781 C ALA A 53 -0.530 -3.802 -2.624 1.00 0.00 C ATOM 782 O ALA A 53 -1.091 -3.580 -1.552 1.00 0.00 O ATOM 783 CB ALA A 53 -1.218 -3.278 -5.015 1.00 0.00 C ATOM 0 H ALA A 53 -3.001 -3.896 -2.620 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.930 -5.210 -4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.170 -3.172 -5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.784 -3.659 -5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.615 -2.306 -4.721 1.00 0.00 H new ATOM 789 N PHE A 54 0.773 -3.680 -2.829 1.00 0.00 N ATOM 790 CA PHE A 54 1.663 -3.259 -1.760 1.00 0.00 C ATOM 791 C PHE A 54 2.781 -2.364 -2.298 1.00 0.00 C ATOM 792 O PHE A 54 3.165 -2.475 -3.461 1.00 0.00 O ATOM 793 CB PHE A 54 2.281 -4.526 -1.167 1.00 0.00 C ATOM 794 CG PHE A 54 1.502 -5.104 0.016 1.00 0.00 C ATOM 795 CD1 PHE A 54 0.401 -5.872 -0.204 1.00 0.00 C ATOM 796 CD2 PHE A 54 1.910 -4.850 1.288 1.00 0.00 C ATOM 797 CE1 PHE A 54 -0.321 -6.408 0.894 1.00 0.00 C ATOM 798 CE2 PHE A 54 1.187 -5.386 2.386 1.00 0.00 C ATOM 799 CZ PHE A 54 0.087 -6.154 2.166 1.00 0.00 C ATOM 0 H PHE A 54 1.234 -3.865 -3.720 1.00 0.00 H new ATOM 0 HA PHE A 54 1.106 -2.691 -1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.351 -5.283 -1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.299 -4.305 -0.845 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.076 -6.074 -1.214 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.784 -4.240 1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.195 -7.018 0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.511 -5.184 3.396 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.463 -6.562 3.001 1.00 0.00 H new ATOM 809 N VAL A 55 3.271 -1.495 -1.426 1.00 0.00 N ATOM 810 CA VAL A 55 4.337 -0.581 -1.798 1.00 0.00 C ATOM 811 C VAL A 55 5.376 -0.531 -0.676 1.00 0.00 C ATOM 812 O VAL A 55 5.024 -0.373 0.492 1.00 0.00 O ATOM 813 CB VAL A 55 3.755 0.793 -2.136 1.00 0.00 C ATOM 814 CG1 VAL A 55 4.858 1.848 -2.231 1.00 0.00 C ATOM 815 CG2 VAL A 55 2.936 0.738 -3.427 1.00 0.00 C ATOM 0 H VAL A 55 2.949 -1.405 -0.462 1.00 0.00 H new ATOM 0 HA VAL A 55 4.845 -0.933 -2.696 1.00 0.00 H new ATOM 0 HB VAL A 55 3.085 1.082 -1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.417 2.815 -2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.380 1.915 -1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.564 1.567 -3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.533 1.727 -3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.575 0.417 -4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.115 0.031 -3.307 1.00 0.00 H new ATOM 825 N GLN A 56 6.633 -0.667 -1.069 1.00 0.00 N ATOM 826 CA GLN A 56 7.725 -0.639 -0.111 1.00 0.00 C ATOM 827 C GLN A 56 8.661 0.534 -0.407 1.00 0.00 C ATOM 828 O GLN A 56 9.366 0.531 -1.416 1.00 0.00 O ATOM 829 CB GLN A 56 8.489 -1.964 -0.111 1.00 0.00 C ATOM 830 CG GLN A 56 9.620 -1.945 0.920 1.00 0.00 C ATOM 831 CD GLN A 56 9.289 -2.844 2.113 1.00 0.00 C ATOM 832 OE1 GLN A 56 8.426 -3.705 2.054 1.00 0.00 O ATOM 833 NE2 GLN A 56 10.020 -2.596 3.196 1.00 0.00 N ATOM 0 H GLN A 56 6.920 -0.797 -2.039 1.00 0.00 H new ATOM 0 HA GLN A 56 7.305 -0.500 0.885 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.804 -2.783 0.110 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.900 -2.151 -1.103 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.547 -2.279 0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.786 -0.924 1.264 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.726 -1.860 3.177 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.874 -3.142 4.045 1.00 0.00 H new ATOM 842 N TYR A 57 8.639 1.509 0.490 1.00 0.00 N ATOM 843 CA TYR A 57 9.477 2.686 0.337 1.00 0.00 C ATOM 844 C TYR A 57 10.857 2.461 0.959 1.00 0.00 C ATOM 845 O TYR A 57 11.075 1.468 1.652 1.00 0.00 O ATOM 846 CB TYR A 57 8.767 3.810 1.093 1.00 0.00 C ATOM 847 CG TYR A 57 7.479 4.294 0.424 1.00 0.00 C ATOM 848 CD1 TYR A 57 6.342 3.513 0.471 1.00 0.00 C ATOM 849 CD2 TYR A 57 7.454 5.511 -0.226 1.00 0.00 C ATOM 850 CE1 TYR A 57 5.130 3.969 -0.159 1.00 0.00 C ATOM 851 CE2 TYR A 57 6.242 5.966 -0.856 1.00 0.00 C ATOM 852 CZ TYR A 57 5.140 5.172 -0.791 1.00 0.00 C ATOM 853 OH TYR A 57 3.995 5.602 -1.386 1.00 0.00 O ATOM 0 H TYR A 57 8.054 1.508 1.325 1.00 0.00 H new ATOM 0 HA TYR A 57 9.623 2.919 -0.718 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.533 3.465 2.100 1.00 0.00 H new ATOM 0 HB3 TYR A 57 9.450 4.653 1.195 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.361 2.561 0.980 1.00 0.00 H new ATOM 0 HD2 TYR A 57 8.344 6.122 -0.262 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.233 3.368 -0.130 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.209 6.916 -1.368 1.00 0.00 H new ATOM 0 HH TYR A 57 4.213 6.266 -2.073 1.00 0.00 H new ATOM 863 N VAL A 58 11.752 3.399 0.689 1.00 0.00 N ATOM 864 CA VAL A 58 13.105 3.316 1.214 1.00 0.00 C ATOM 865 C VAL A 58 13.070 3.496 2.733 1.00 0.00 C ATOM 866 O VAL A 58 13.972 3.043 3.436 1.00 0.00 O ATOM 867 CB VAL A 58 14.002 4.337 0.511 1.00 0.00 C ATOM 868 CG1 VAL A 58 15.107 4.832 1.447 1.00 0.00 C ATOM 869 CG2 VAL A 58 14.593 3.754 -0.774 1.00 0.00 C ATOM 0 H VAL A 58 11.567 4.221 0.114 1.00 0.00 H new ATOM 0 HA VAL A 58 13.533 2.334 1.013 1.00 0.00 H new ATOM 0 HB VAL A 58 13.385 5.193 0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.730 5.557 0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.659 5.304 2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.720 3.988 1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.226 4.500 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.188 2.873 -0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.786 3.473 -1.451 1.00 0.00 H new ATOM 879 N ASN A 59 12.020 4.158 3.194 1.00 0.00 N ATOM 880 CA ASN A 59 11.856 4.403 4.617 1.00 0.00 C ATOM 881 C ASN A 59 10.372 4.310 4.979 1.00 0.00 C ATOM 882 O ASN A 59 9.512 4.343 4.100 1.00 0.00 O ATOM 883 CB ASN A 59 12.347 5.802 4.995 1.00 0.00 C ATOM 884 CG ASN A 59 13.725 6.081 4.392 1.00 0.00 C ATOM 885 OD1 ASN A 59 14.694 5.382 4.642 1.00 0.00 O ATOM 886 ND2 ASN A 59 13.759 7.138 3.585 1.00 0.00 N ATOM 0 H ASN A 59 11.274 4.533 2.608 1.00 0.00 H new ATOM 0 HA ASN A 59 12.440 3.657 5.157 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.635 6.548 4.644 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.396 5.893 6.080 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.633 7.406 3.133 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.911 7.680 3.419 1.00 0.00 H new ATOM 893 N GLU A 60 10.117 4.196 6.274 1.00 0.00 N ATOM 894 CA GLU A 60 8.752 4.098 6.762 1.00 0.00 C ATOM 895 C GLU A 60 8.043 5.448 6.632 1.00 0.00 C ATOM 896 O GLU A 60 6.935 5.522 6.104 1.00 0.00 O ATOM 897 CB GLU A 60 8.722 3.601 8.209 1.00 0.00 C ATOM 898 CG GLU A 60 7.339 3.058 8.573 1.00 0.00 C ATOM 899 CD GLU A 60 6.357 4.199 8.850 1.00 0.00 C ATOM 900 OE1 GLU A 60 6.664 5.004 9.755 1.00 0.00 O ATOM 901 OE2 GLU A 60 5.323 4.240 8.149 1.00 0.00 O ATOM 0 H GLU A 60 10.833 4.169 7.000 1.00 0.00 H new ATOM 0 HA GLU A 60 8.220 3.370 6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.471 2.820 8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.986 4.416 8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.962 2.438 7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.416 2.418 9.452 1.00 0.00 H new ATOM 908 N ARG A 61 8.712 6.481 7.122 1.00 0.00 N ATOM 909 CA ARG A 61 8.160 7.824 7.066 1.00 0.00 C ATOM 910 C ARG A 61 7.593 8.108 5.674 1.00 0.00 C ATOM 911 O ARG A 61 6.548 8.743 5.543 1.00 0.00 O ATOM 912 CB ARG A 61 9.225 8.872 7.399 1.00 0.00 C ATOM 913 CG ARG A 61 9.378 9.036 8.912 1.00 0.00 C ATOM 914 CD ARG A 61 9.829 10.455 9.266 1.00 0.00 C ATOM 915 NE ARG A 61 10.416 10.475 10.625 1.00 0.00 N ATOM 916 CZ ARG A 61 9.696 10.507 11.754 1.00 0.00 C ATOM 917 NH1 ARG A 61 8.357 10.522 11.695 1.00 0.00 N ATOM 918 NH2 ARG A 61 10.314 10.523 12.943 1.00 0.00 N ATOM 0 H ARG A 61 9.631 6.415 7.560 1.00 0.00 H new ATOM 0 HA ARG A 61 7.362 7.885 7.806 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.180 8.577 6.963 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.952 9.828 6.952 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.429 8.819 9.403 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.104 8.315 9.288 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.562 10.805 8.539 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.981 11.138 9.217 1.00 0.00 H new ATOM 0 HE ARG A 61 11.433 10.464 10.707 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.886 10.509 10.790 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.809 10.546 12.555 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.333 10.511 12.988 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.765 10.547 13.803 1.00 0.00 H new ATOM 932 N ASN A 62 8.307 7.624 4.669 1.00 0.00 N ATOM 933 CA ASN A 62 7.888 7.817 3.291 1.00 0.00 C ATOM 934 C ASN A 62 6.639 6.976 3.020 1.00 0.00 C ATOM 935 O ASN A 62 5.752 7.397 2.278 1.00 0.00 O ATOM 936 CB ASN A 62 8.979 7.372 2.316 1.00 0.00 C ATOM 937 CG ASN A 62 10.199 8.293 2.399 1.00 0.00 C ATOM 938 OD1 ASN A 62 11.283 7.896 2.793 1.00 0.00 O ATOM 939 ND2 ASN A 62 9.961 9.541 2.008 1.00 0.00 N ATOM 0 H ASN A 62 9.174 7.098 4.781 1.00 0.00 H new ATOM 0 HA ASN A 62 7.686 8.878 3.145 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.276 6.348 2.541 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.586 7.374 1.299 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.710 10.233 2.027 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.029 9.807 1.689 1.00 0.00 H new ATOM 946 N ALA A 63 6.610 5.803 3.635 1.00 0.00 N ATOM 947 CA ALA A 63 5.484 4.899 3.468 1.00 0.00 C ATOM 948 C ALA A 63 4.208 5.585 3.959 1.00 0.00 C ATOM 949 O ALA A 63 3.298 5.847 3.174 1.00 0.00 O ATOM 950 CB ALA A 63 5.766 3.591 4.211 1.00 0.00 C ATOM 0 H ALA A 63 7.347 5.458 4.249 1.00 0.00 H new ATOM 0 HA ALA A 63 5.342 4.653 2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.922 2.912 4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.666 3.129 3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.911 3.799 5.271 1.00 0.00 H new ATOM 956 N ARG A 64 4.181 5.857 5.256 1.00 0.00 N ATOM 957 CA ARG A 64 3.032 6.508 5.860 1.00 0.00 C ATOM 958 C ARG A 64 2.610 7.721 5.029 1.00 0.00 C ATOM 959 O ARG A 64 1.424 7.920 4.772 1.00 0.00 O ATOM 960 CB ARG A 64 3.343 6.960 7.289 1.00 0.00 C ATOM 961 CG ARG A 64 2.128 7.638 7.926 1.00 0.00 C ATOM 962 CD ARG A 64 2.452 8.126 9.339 1.00 0.00 C ATOM 963 NE ARG A 64 2.329 7.008 10.301 1.00 0.00 N ATOM 964 CZ ARG A 64 2.486 7.136 11.626 1.00 0.00 C ATOM 965 NH1 ARG A 64 2.772 8.334 12.154 1.00 0.00 N ATOM 966 NH2 ARG A 64 2.357 6.067 12.423 1.00 0.00 N ATOM 0 H ARG A 64 4.937 5.638 5.905 1.00 0.00 H new ATOM 0 HA ARG A 64 2.218 5.783 5.889 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.641 6.100 7.889 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.186 7.650 7.280 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.812 8.480 7.310 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.293 6.938 7.961 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.463 8.533 9.369 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.775 8.933 9.618 1.00 0.00 H new ATOM 0 HE ARG A 64 2.111 6.082 9.933 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.870 9.148 11.548 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.891 8.432 13.162 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.139 5.155 12.022 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.477 6.165 13.431 1.00 0.00 H new ATOM 980 N ALA A 65 3.605 8.501 4.632 1.00 0.00 N ATOM 981 CA ALA A 65 3.352 9.689 3.836 1.00 0.00 C ATOM 982 C ALA A 65 2.274 9.381 2.795 1.00 0.00 C ATOM 983 O ALA A 65 1.222 10.017 2.778 1.00 0.00 O ATOM 984 CB ALA A 65 4.660 10.164 3.198 1.00 0.00 C ATOM 0 H ALA A 65 4.588 8.333 4.847 1.00 0.00 H new ATOM 0 HA ALA A 65 2.982 10.500 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.471 11.056 2.600 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.382 10.398 3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.060 9.377 2.559 1.00 0.00 H new ATOM 990 N ALA A 66 2.574 8.403 1.952 1.00 0.00 N ATOM 991 CA ALA A 66 1.643 8.002 0.910 1.00 0.00 C ATOM 992 C ALA A 66 0.349 7.500 1.554 1.00 0.00 C ATOM 993 O ALA A 66 -0.739 7.950 1.201 1.00 0.00 O ATOM 994 CB ALA A 66 2.299 6.946 0.018 1.00 0.00 C ATOM 0 H ALA A 66 3.448 7.877 1.969 1.00 0.00 H new ATOM 0 HA ALA A 66 1.387 8.851 0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.601 6.645 -0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.197 7.362 -0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.567 6.077 0.619 1.00 0.00 H new ATOM 1000 N VAL A 67 0.511 6.573 2.487 1.00 0.00 N ATOM 1001 CA VAL A 67 -0.630 6.005 3.183 1.00 0.00 C ATOM 1002 C VAL A 67 -1.603 7.124 3.558 1.00 0.00 C ATOM 1003 O VAL A 67 -2.812 6.906 3.621 1.00 0.00 O ATOM 1004 CB VAL A 67 -0.156 5.195 4.392 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -1.341 4.738 5.245 1.00 0.00 C ATOM 1006 CG2 VAL A 67 0.696 4.003 3.953 1.00 0.00 C ATOM 0 H VAL A 67 1.416 6.201 2.777 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.166 5.312 2.534 1.00 0.00 H new ATOM 0 HB VAL A 67 0.468 5.844 5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.976 4.165 6.097 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.890 5.609 5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.002 4.114 4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.020 3.444 4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.107 3.353 3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.570 4.361 3.408 1.00 0.00 H new ATOM 1016 N ALA A 68 -1.039 8.299 3.798 1.00 0.00 N ATOM 1017 CA ALA A 68 -1.841 9.454 4.165 1.00 0.00 C ATOM 1018 C ALA A 68 -2.173 10.259 2.908 1.00 0.00 C ATOM 1019 O ALA A 68 -3.251 10.844 2.807 1.00 0.00 O ATOM 1020 CB ALA A 68 -1.092 10.284 5.209 1.00 0.00 C ATOM 0 H ALA A 68 -0.036 8.476 3.745 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.784 9.140 4.613 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.693 11.150 5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.907 9.675 6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.142 10.619 4.794 1.00 0.00 H new ATOM 1026 N GLY A 69 -1.228 10.264 1.980 1.00 0.00 N ATOM 1027 CA GLY A 69 -1.406 10.988 0.733 1.00 0.00 C ATOM 1028 C GLY A 69 -2.204 10.157 -0.274 1.00 0.00 C ATOM 1029 O GLY A 69 -3.381 10.425 -0.511 1.00 0.00 O ATOM 0 H GLY A 69 -0.336 9.778 2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.923 11.928 0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.432 11.240 0.312 1.00 0.00 H new ATOM 1033 N GLU A 70 -1.531 9.166 -0.840 1.00 0.00 N ATOM 1034 CA GLU A 70 -2.163 8.294 -1.816 1.00 0.00 C ATOM 1035 C GLU A 70 -3.571 7.914 -1.356 1.00 0.00 C ATOM 1036 O GLU A 70 -4.555 8.248 -2.014 1.00 0.00 O ATOM 1037 CB GLU A 70 -1.313 7.048 -2.069 1.00 0.00 C ATOM 1038 CG GLU A 70 -0.856 6.981 -3.528 1.00 0.00 C ATOM 1039 CD GLU A 70 -1.993 6.509 -4.437 1.00 0.00 C ATOM 1040 OE1 GLU A 70 -2.356 5.319 -4.320 1.00 0.00 O ATOM 1041 OE2 GLU A 70 -2.473 7.350 -5.228 1.00 0.00 O ATOM 0 H GLU A 70 -0.555 8.947 -0.642 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.245 8.835 -2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.443 7.058 -1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.888 6.155 -1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.512 7.964 -3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.009 6.301 -3.617 1.00 0.00 H new ATOM 1048 N ASP A 71 -3.623 7.220 -0.228 1.00 0.00 N ATOM 1049 CA ASP A 71 -4.895 6.790 0.328 1.00 0.00 C ATOM 1050 C ASP A 71 -5.925 7.909 0.158 1.00 0.00 C ATOM 1051 O ASP A 71 -5.761 8.997 0.708 1.00 0.00 O ATOM 1052 CB ASP A 71 -4.768 6.487 1.822 1.00 0.00 C ATOM 1053 CG ASP A 71 -6.019 5.890 2.470 1.00 0.00 C ATOM 1054 OD1 ASP A 71 -6.274 4.693 2.214 1.00 0.00 O ATOM 1055 OD2 ASP A 71 -6.692 6.643 3.205 1.00 0.00 O ATOM 0 H ASP A 71 -2.805 6.945 0.316 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.206 5.887 -0.198 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.937 5.797 1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.512 7.409 2.344 1.00 0.00 H new ATOM 1060 N GLY A 72 -6.963 7.602 -0.605 1.00 0.00 N ATOM 1061 CA GLY A 72 -8.020 8.568 -0.854 1.00 0.00 C ATOM 1062 C GLY A 72 -7.910 9.149 -2.265 1.00 0.00 C ATOM 1063 O GLY A 72 -8.436 10.227 -2.538 1.00 0.00 O ATOM 0 H GLY A 72 -7.095 6.698 -1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.991 8.090 -0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.963 9.372 -0.120 1.00 0.00 H new ATOM 1067 N ARG A 73 -7.223 8.410 -3.123 1.00 0.00 N ATOM 1068 CA ARG A 73 -7.037 8.839 -4.499 1.00 0.00 C ATOM 1069 C ARG A 73 -8.041 8.135 -5.414 1.00 0.00 C ATOM 1070 O ARG A 73 -8.273 6.934 -5.280 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.617 8.537 -4.983 1.00 0.00 C ATOM 1072 CG ARG A 73 -5.234 9.442 -6.156 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.348 8.696 -7.156 1.00 0.00 C ATOM 1074 NE ARG A 73 -4.673 9.123 -8.536 1.00 0.00 N ATOM 1075 CZ ARG A 73 -4.140 10.196 -9.135 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -3.254 10.958 -8.480 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -4.494 10.508 -10.390 1.00 0.00 N ATOM 0 H ARG A 73 -6.788 7.517 -2.892 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.199 9.916 -4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.912 8.679 -4.164 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.547 7.493 -5.287 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.135 9.796 -6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.709 10.322 -5.785 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.298 8.895 -6.943 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.496 7.621 -7.055 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.345 8.565 -9.063 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.985 10.721 -7.525 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.848 11.775 -8.936 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.169 9.928 -10.889 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.088 11.325 -10.846 1.00 0.00 H new ATOM 1091 N MET A 74 -8.609 8.912 -6.325 1.00 0.00 N ATOM 1092 CA MET A 74 -9.582 8.378 -7.262 1.00 0.00 C ATOM 1093 C MET A 74 -8.893 7.806 -8.503 1.00 0.00 C ATOM 1094 O MET A 74 -8.577 8.543 -9.436 1.00 0.00 O ATOM 1095 CB MET A 74 -10.550 9.486 -7.681 1.00 0.00 C ATOM 1096 CG MET A 74 -12.003 9.030 -7.534 1.00 0.00 C ATOM 1097 SD MET A 74 -13.096 10.439 -7.610 1.00 0.00 S ATOM 1098 CE MET A 74 -14.674 9.614 -7.493 1.00 0.00 C ATOM 0 H MET A 74 -8.414 9.907 -6.434 1.00 0.00 H new ATOM 0 HA MET A 74 -10.128 7.573 -6.769 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.380 10.373 -7.070 1.00 0.00 H new ATOM 0 HB3 MET A 74 -10.357 9.770 -8.716 1.00 0.00 H new ATOM 0 HG2 MET A 74 -12.253 8.323 -8.325 1.00 0.00 H new ATOM 0 HG3 MET A 74 -12.135 8.508 -6.586 1.00 0.00 H new ATOM 0 HE1 MET A 74 -15.441 10.334 -7.206 1.00 0.00 H new ATOM 0 HE2 MET A 74 -14.929 9.178 -8.459 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.618 8.826 -6.742 1.00 0.00 H new ATOM 1108 N ILE A 75 -8.679 6.499 -8.473 1.00 0.00 N ATOM 1109 CA ILE A 75 -8.032 5.821 -9.583 1.00 0.00 C ATOM 1110 C ILE A 75 -9.065 4.974 -10.329 1.00 0.00 C ATOM 1111 O ILE A 75 -9.683 4.085 -9.744 1.00 0.00 O ATOM 1112 CB ILE A 75 -6.822 5.024 -9.093 1.00 0.00 C ATOM 1113 CG1 ILE A 75 -5.669 5.105 -10.095 1.00 0.00 C ATOM 1114 CG2 ILE A 75 -7.209 3.576 -8.780 1.00 0.00 C ATOM 1115 CD1 ILE A 75 -4.734 6.269 -9.761 1.00 0.00 C ATOM 0 H ILE A 75 -8.942 5.891 -7.697 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.639 6.546 -10.295 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.472 5.472 -8.163 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.109 4.170 -10.087 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.066 5.230 -11.102 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.331 3.031 -8.434 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.973 3.564 -8.003 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.599 3.101 -9.680 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.923 6.304 -10.488 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.292 7.205 -9.794 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.320 6.128 -8.763 1.00 0.00 H new ATOM 1127 N ALA A 76 -9.222 5.279 -11.608 1.00 0.00 N ATOM 1128 CA ALA A 76 -10.169 4.557 -12.440 1.00 0.00 C ATOM 1129 C ALA A 76 -11.585 5.058 -12.146 1.00 0.00 C ATOM 1130 O ALA A 76 -12.562 4.490 -12.632 1.00 0.00 O ATOM 1131 CB ALA A 76 -10.020 3.054 -12.197 1.00 0.00 C ATOM 0 H ALA A 76 -8.709 6.017 -12.089 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.968 4.738 -13.496 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.731 2.512 -12.821 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.006 2.744 -12.448 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.217 2.834 -11.148 1.00 0.00 H new ATOM 1137 N GLY A 77 -11.650 6.116 -11.351 1.00 0.00 N ATOM 1138 CA GLY A 77 -12.930 6.700 -10.986 1.00 0.00 C ATOM 1139 C GLY A 77 -13.360 6.248 -9.589 1.00 0.00 C ATOM 1140 O GLY A 77 -14.353 6.738 -9.053 1.00 0.00 O ATOM 0 H GLY A 77 -10.837 6.584 -10.949 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.859 7.787 -11.015 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.687 6.411 -11.715 1.00 0.00 H new ATOM 1144 N GLN A 78 -12.592 5.319 -9.040 1.00 0.00 N ATOM 1145 CA GLN A 78 -12.881 4.795 -7.716 1.00 0.00 C ATOM 1146 C GLN A 78 -11.764 5.171 -6.741 1.00 0.00 C ATOM 1147 O GLN A 78 -10.623 5.381 -7.149 1.00 0.00 O ATOM 1148 CB GLN A 78 -13.085 3.279 -7.758 1.00 0.00 C ATOM 1149 CG GLN A 78 -14.318 2.914 -8.587 1.00 0.00 C ATOM 1150 CD GLN A 78 -13.921 2.483 -10.000 1.00 0.00 C ATOM 1151 OE1 GLN A 78 -14.432 2.974 -10.993 1.00 0.00 O ATOM 1152 NE2 GLN A 78 -12.984 1.540 -10.035 1.00 0.00 N ATOM 0 H GLN A 78 -11.769 4.915 -9.488 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.810 5.244 -7.364 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -12.202 2.801 -8.183 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -13.198 2.895 -6.744 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.864 2.108 -8.097 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -14.991 3.769 -8.640 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.598 1.172 -9.165 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -12.651 1.185 -10.931 1.00 0.00 H new ATOM 1161 N VAL A 79 -12.132 5.246 -5.470 1.00 0.00 N ATOM 1162 CA VAL A 79 -11.175 5.593 -4.433 1.00 0.00 C ATOM 1163 C VAL A 79 -10.345 4.358 -4.077 1.00 0.00 C ATOM 1164 O VAL A 79 -10.811 3.229 -4.223 1.00 0.00 O ATOM 1165 CB VAL A 79 -11.903 6.192 -3.228 1.00 0.00 C ATOM 1166 CG1 VAL A 79 -10.941 6.411 -2.059 1.00 0.00 C ATOM 1167 CG2 VAL A 79 -12.611 7.495 -3.607 1.00 0.00 C ATOM 0 H VAL A 79 -13.080 5.072 -5.135 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.484 6.357 -4.791 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.662 5.479 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.484 6.838 -1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.504 5.457 -1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.148 7.095 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.121 7.900 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.877 8.217 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.340 7.298 -4.393 1.00 0.00 H new ATOM 1177 N LEU A 80 -9.129 4.614 -3.616 1.00 0.00 N ATOM 1178 CA LEU A 80 -8.230 3.538 -3.237 1.00 0.00 C ATOM 1179 C LEU A 80 -8.137 3.469 -1.711 1.00 0.00 C ATOM 1180 O LEU A 80 -7.893 4.480 -1.055 1.00 0.00 O ATOM 1181 CB LEU A 80 -6.875 3.703 -3.929 1.00 0.00 C ATOM 1182 CG LEU A 80 -6.890 3.635 -5.457 1.00 0.00 C ATOM 1183 CD1 LEU A 80 -5.494 3.887 -6.031 1.00 0.00 C ATOM 1184 CD2 LEU A 80 -7.477 2.307 -5.941 1.00 0.00 C ATOM 0 H LEU A 80 -8.746 5.552 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.621 2.579 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.452 4.663 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.203 2.930 -3.557 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.539 4.429 -5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.533 3.833 -7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.149 4.876 -5.729 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.804 3.132 -5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.476 2.284 -7.031 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.874 1.482 -5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.499 2.207 -5.577 1.00 0.00 H new ATOM 1196 N ASP A 81 -8.337 2.267 -1.192 1.00 0.00 N ATOM 1197 CA ASP A 81 -8.279 2.053 0.244 1.00 0.00 C ATOM 1198 C ASP A 81 -6.889 1.538 0.623 1.00 0.00 C ATOM 1199 O ASP A 81 -6.594 0.356 0.456 1.00 0.00 O ATOM 1200 CB ASP A 81 -9.307 1.010 0.688 1.00 0.00 C ATOM 1201 CG ASP A 81 -10.476 1.561 1.507 1.00 0.00 C ATOM 1202 OD1 ASP A 81 -10.801 2.750 1.302 1.00 0.00 O ATOM 1203 OD2 ASP A 81 -11.016 0.781 2.320 1.00 0.00 O ATOM 0 H ASP A 81 -8.539 1.431 -1.740 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.494 3.002 0.735 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.705 0.515 -0.198 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.797 0.248 1.278 1.00 0.00 H new ATOM 1208 N ILE A 82 -6.072 2.452 1.127 1.00 0.00 N ATOM 1209 CA ILE A 82 -4.720 2.105 1.531 1.00 0.00 C ATOM 1210 C ILE A 82 -4.613 2.178 3.055 1.00 0.00 C ATOM 1211 O ILE A 82 -5.390 2.879 3.703 1.00 0.00 O ATOM 1212 CB ILE A 82 -3.701 2.981 0.800 1.00 0.00 C ATOM 1213 CG1 ILE A 82 -4.127 3.227 -0.649 1.00 0.00 C ATOM 1214 CG2 ILE A 82 -2.297 2.381 0.891 1.00 0.00 C ATOM 1215 CD1 ILE A 82 -3.240 4.284 -1.310 1.00 0.00 C ATOM 0 H ILE A 82 -6.320 3.432 1.265 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.488 1.079 1.244 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.669 3.952 1.294 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.069 2.295 -1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.167 3.552 -0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.592 3.023 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.002 2.302 1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.295 1.390 0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.564 4.439 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.319 5.221 -0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.204 3.945 -1.304 1.00 0.00 H new ATOM 1227 N ASN A 83 -3.646 1.444 3.585 1.00 0.00 N ATOM 1228 CA ASN A 83 -3.427 1.417 5.021 1.00 0.00 C ATOM 1229 C ASN A 83 -2.051 0.816 5.312 1.00 0.00 C ATOM 1230 O ASN A 83 -1.640 -0.146 4.664 1.00 0.00 O ATOM 1231 CB ASN A 83 -4.478 0.554 5.722 1.00 0.00 C ATOM 1232 CG ASN A 83 -4.650 -0.788 5.008 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -5.547 -0.983 4.204 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -3.743 -1.700 5.345 1.00 0.00 N ATOM 0 H ASN A 83 -3.005 0.863 3.045 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.495 2.440 5.392 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.182 0.384 6.757 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.431 1.082 5.745 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.772 -2.628 4.923 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.018 -1.471 6.025 1.00 0.00 H new ATOM 1241 N LEU A 84 -1.377 1.407 6.288 1.00 0.00 N ATOM 1242 CA LEU A 84 -0.055 0.941 6.672 1.00 0.00 C ATOM 1243 C LEU A 84 -0.154 -0.499 7.179 1.00 0.00 C ATOM 1244 O LEU A 84 -1.003 -0.811 8.013 1.00 0.00 O ATOM 1245 CB LEU A 84 0.581 1.904 7.677 1.00 0.00 C ATOM 1246 CG LEU A 84 1.796 2.688 7.178 1.00 0.00 C ATOM 1247 CD1 LEU A 84 2.144 3.829 8.137 1.00 0.00 C ATOM 1248 CD2 LEU A 84 2.987 1.759 6.936 1.00 0.00 C ATOM 0 H LEU A 84 -1.721 2.204 6.824 1.00 0.00 H new ATOM 0 HA LEU A 84 0.611 0.931 5.809 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.179 2.616 7.999 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.878 1.335 8.558 1.00 0.00 H new ATOM 0 HG LEU A 84 1.541 3.140 6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.011 4.370 7.759 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.297 4.510 8.215 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.372 3.420 9.121 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.837 2.342 6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.253 1.258 7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.721 1.014 6.187 1.00 0.00 H new ATOM 1260 N ALA A 85 0.726 -1.339 6.654 1.00 0.00 N ATOM 1261 CA ALA A 85 0.749 -2.739 7.042 1.00 0.00 C ATOM 1262 C ALA A 85 1.161 -2.849 8.512 1.00 0.00 C ATOM 1263 O ALA A 85 2.310 -3.170 8.815 1.00 0.00 O ATOM 1264 CB ALA A 85 1.687 -3.512 6.114 1.00 0.00 C ATOM 0 H ALA A 85 1.429 -1.077 5.963 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.243 -3.181 6.943 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.704 -4.562 6.406 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.334 -3.427 5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.693 -3.099 6.187 1.00 0.00 H new ATOM 1270 N ALA A 86 0.202 -2.578 9.385 1.00 0.00 N ATOM 1271 CA ALA A 86 0.452 -2.643 10.815 1.00 0.00 C ATOM 1272 C ALA A 86 -0.875 -2.516 11.566 1.00 0.00 C ATOM 1273 O ALA A 86 -1.239 -3.397 12.344 1.00 0.00 O ATOM 1274 CB ALA A 86 1.451 -1.553 11.209 1.00 0.00 C ATOM 0 H ALA A 86 -0.749 -2.313 9.130 1.00 0.00 H new ATOM 0 HA ALA A 86 0.893 -3.603 11.084 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.638 -1.602 12.282 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.386 -1.704 10.670 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.041 -0.575 10.956 1.00 0.00 H new ATOM 1280 N GLU A 87 -1.563 -1.414 11.306 1.00 0.00 N ATOM 1281 CA GLU A 87 -2.841 -1.160 11.948 1.00 0.00 C ATOM 1282 C GLU A 87 -3.975 -1.245 10.924 1.00 0.00 C ATOM 1283 O GLU A 87 -4.169 -0.326 10.129 1.00 0.00 O ATOM 1284 CB GLU A 87 -2.841 0.197 12.654 1.00 0.00 C ATOM 1285 CG GLU A 87 -2.653 0.029 14.163 1.00 0.00 C ATOM 1286 CD GLU A 87 -3.075 1.295 14.912 1.00 0.00 C ATOM 1287 OE1 GLU A 87 -2.600 2.378 14.509 1.00 0.00 O ATOM 1288 OE2 GLU A 87 -3.863 1.151 15.872 1.00 0.00 O ATOM 0 H GLU A 87 -1.259 -0.686 10.659 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.003 -1.926 12.706 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.043 0.821 12.252 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.780 0.714 12.456 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.241 -0.819 14.514 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.609 -0.196 14.380 1.00 0.00 H new ATOM 1295 N PRO A 88 -4.714 -2.386 10.977 1.00 0.00 N ATOM 1296 CA PRO A 88 -5.823 -2.602 10.064 1.00 0.00 C ATOM 1297 C PRO A 88 -7.035 -1.758 10.463 1.00 0.00 C ATOM 1298 O PRO A 88 -8.022 -1.697 9.732 1.00 0.00 O ATOM 1299 CB PRO A 88 -6.095 -4.097 10.123 1.00 0.00 C ATOM 1300 CG PRO A 88 -5.443 -4.589 11.405 1.00 0.00 C ATOM 1301 CD PRO A 88 -4.513 -3.495 11.904 1.00 0.00 C ATOM 0 HA PRO A 88 -5.595 -2.291 9.044 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.166 -4.299 10.127 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.678 -4.604 9.253 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.200 -4.818 12.155 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -4.887 -5.509 11.222 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.755 -3.205 12.926 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.475 -3.827 11.904 1.00 0.00 H new ATOM 1309 N LYS A 89 -6.920 -1.127 11.623 1.00 0.00 N ATOM 1310 CA LYS A 89 -7.994 -0.289 12.128 1.00 0.00 C ATOM 1311 C LYS A 89 -9.339 -0.955 11.829 1.00 0.00 C ATOM 1312 O LYS A 89 -10.318 -0.275 11.526 1.00 0.00 O ATOM 1313 CB LYS A 89 -7.873 1.131 11.571 1.00 0.00 C ATOM 1314 CG LYS A 89 -6.602 1.813 12.081 1.00 0.00 C ATOM 1315 CD LYS A 89 -6.640 3.318 11.807 1.00 0.00 C ATOM 1316 CE LYS A 89 -5.649 4.064 12.702 1.00 0.00 C ATOM 1317 NZ LYS A 89 -5.479 5.459 12.238 1.00 0.00 N ATOM 0 H LYS A 89 -6.100 -1.180 12.227 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.922 -0.189 13.211 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.860 1.098 10.482 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.746 1.715 11.862 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.495 1.637 13.151 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -5.730 1.373 11.597 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.403 3.507 10.760 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.647 3.697 11.979 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.005 4.058 13.732 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -4.687 3.552 12.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.803 5.951 12.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.119 5.459 11.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.396 5.949 12.268 1.00 0.00 H new ATOM 1331 N VAL A 90 -9.343 -2.276 11.924 1.00 0.00 N ATOM 1332 CA VAL A 90 -10.551 -3.041 11.667 1.00 0.00 C ATOM 1333 C VAL A 90 -11.215 -3.400 12.998 1.00 0.00 C ATOM 1334 O VAL A 90 -10.820 -4.363 13.653 1.00 0.00 O ATOM 1335 CB VAL A 90 -10.222 -4.268 10.813 1.00 0.00 C ATOM 1336 CG1 VAL A 90 -11.351 -5.298 10.876 1.00 0.00 C ATOM 1337 CG2 VAL A 90 -9.927 -3.865 9.366 1.00 0.00 C ATOM 0 H VAL A 90 -8.529 -2.836 12.175 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.265 -2.447 11.097 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.324 -4.730 11.222 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.092 -6.160 10.261 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -11.494 -5.619 11.908 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.273 -4.851 10.504 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.696 -4.755 8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.799 -3.368 8.942 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.075 -3.185 9.344 1.00 0.00 H new ATOM 1347 N ASN A 91 -12.213 -2.606 13.358 1.00 0.00 N ATOM 1348 CA ASN A 91 -12.935 -2.828 14.598 1.00 0.00 C ATOM 1349 C ASN A 91 -11.934 -3.013 15.741 1.00 0.00 C ATOM 1350 O ASN A 91 -11.440 -4.117 15.965 1.00 0.00 O ATOM 1351 CB ASN A 91 -13.797 -4.090 14.516 1.00 0.00 C ATOM 1352 CG ASN A 91 -14.700 -4.218 15.744 1.00 0.00 C ATOM 1353 OD1 ASN A 91 -14.249 -4.256 16.877 1.00 0.00 O ATOM 1354 ND2 ASN A 91 -15.997 -4.284 15.457 1.00 0.00 N ATOM 0 H ASN A 91 -12.538 -1.808 12.812 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.576 -1.964 14.773 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.407 -4.060 13.613 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -13.156 -4.968 14.438 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -16.682 -4.372 16.208 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -16.307 -4.247 14.486 1.00 0.00 H new ATOM 1361 N ARG A 92 -11.665 -1.916 16.433 1.00 0.00 N ATOM 1362 CA ARG A 92 -10.732 -1.943 17.546 1.00 0.00 C ATOM 1363 C ARG A 92 -11.491 -2.003 18.873 1.00 0.00 C ATOM 1364 O ARG A 92 -12.687 -1.721 18.922 1.00 0.00 O ATOM 1365 CB ARG A 92 -9.829 -0.708 17.538 1.00 0.00 C ATOM 1366 CG ARG A 92 -10.637 0.564 17.802 1.00 0.00 C ATOM 1367 CD ARG A 92 -10.798 1.387 16.523 1.00 0.00 C ATOM 1368 NE ARG A 92 -10.466 2.805 16.788 1.00 0.00 N ATOM 1369 CZ ARG A 92 -9.222 3.259 16.994 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -8.186 2.410 16.967 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -9.015 4.562 17.228 1.00 0.00 N ATOM 0 H ARG A 92 -12.077 -1.002 16.244 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.112 -2.833 17.437 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.054 -0.815 18.297 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.324 -0.629 16.575 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.619 0.300 18.195 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.139 1.164 18.564 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.147 0.992 15.743 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.821 1.307 16.156 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.232 3.478 16.816 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.344 1.418 16.790 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.239 2.756 17.124 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -9.804 5.208 17.249 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -8.068 4.908 17.385 1.00 0.00 H new ATOM 1385 N SER A 93 -10.764 -2.372 19.918 1.00 0.00 N ATOM 1386 CA SER A 93 -11.353 -2.473 21.242 1.00 0.00 C ATOM 1387 C SER A 93 -10.320 -2.094 22.305 1.00 0.00 C ATOM 1388 O SER A 93 -9.126 -2.027 22.018 1.00 0.00 O ATOM 1389 CB SER A 93 -11.889 -3.882 21.501 1.00 0.00 C ATOM 1390 OG SER A 93 -10.876 -4.874 21.351 1.00 0.00 O ATOM 0 H SER A 93 -9.772 -2.605 19.874 1.00 0.00 H new ATOM 0 HA SER A 93 -12.192 -1.779 21.296 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.301 -3.934 22.509 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.707 -4.091 20.811 1.00 0.00 H new ATOM 0 HG SER A 93 -11.257 -5.760 21.526 1.00 0.00 H new ATOM 1396 N GLY A 94 -10.818 -1.856 23.509 1.00 0.00 N ATOM 1397 CA GLY A 94 -9.953 -1.485 24.616 1.00 0.00 C ATOM 1398 C GLY A 94 -9.622 0.008 24.578 1.00 0.00 C ATOM 1399 O GLY A 94 -10.515 0.848 24.683 1.00 0.00 O ATOM 0 H GLY A 94 -11.809 -1.913 23.742 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.440 -1.729 25.560 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.032 -2.066 24.573 1.00 0.00 H new ATOM 1403 N PRO A 95 -8.303 0.301 24.424 1.00 0.00 N ATOM 1404 CA PRO A 95 -7.844 1.679 24.371 1.00 0.00 C ATOM 1405 C PRO A 95 -8.179 2.316 23.021 1.00 0.00 C ATOM 1406 O PRO A 95 -8.410 1.614 22.039 1.00 0.00 O ATOM 1407 CB PRO A 95 -6.350 1.606 24.639 1.00 0.00 C ATOM 1408 CG PRO A 95 -5.948 0.164 24.372 1.00 0.00 C ATOM 1409 CD PRO A 95 -7.218 -0.667 24.297 1.00 0.00 C ATOM 0 HA PRO A 95 -8.336 2.316 25.106 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -5.803 2.290 23.990 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.123 1.891 25.666 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.388 0.090 23.440 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.297 -0.204 25.165 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -7.281 -1.210 23.354 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -7.254 -1.409 25.095 1.00 0.00 H new ATOM 1417 N SER A 96 -8.194 3.641 23.016 1.00 0.00 N ATOM 1418 CA SER A 96 -8.496 4.382 21.803 1.00 0.00 C ATOM 1419 C SER A 96 -7.987 5.819 21.927 1.00 0.00 C ATOM 1420 O SER A 96 -7.219 6.284 21.085 1.00 0.00 O ATOM 1421 CB SER A 96 -9.999 4.374 21.514 1.00 0.00 C ATOM 1422 OG SER A 96 -10.555 3.067 21.617 1.00 0.00 O ATOM 0 H SER A 96 -8.002 4.221 23.833 1.00 0.00 H new ATOM 0 HA SER A 96 -7.990 3.895 20.969 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.506 5.040 22.212 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.178 4.766 20.513 1.00 0.00 H new ATOM 0 HG SER A 96 -9.870 2.402 21.395 1.00 0.00 H new ATOM 1428 N SER A 97 -8.434 6.483 22.982 1.00 0.00 N ATOM 1429 CA SER A 97 -8.034 7.858 23.227 1.00 0.00 C ATOM 1430 C SER A 97 -6.523 8.005 23.033 1.00 0.00 C ATOM 1431 O SER A 97 -6.074 8.798 22.207 1.00 0.00 O ATOM 1432 CB SER A 97 -8.434 8.307 24.633 1.00 0.00 C ATOM 1433 OG SER A 97 -9.431 9.326 24.605 1.00 0.00 O ATOM 0 H SER A 97 -9.070 6.094 23.678 1.00 0.00 H new ATOM 0 HA SER A 97 -8.551 8.497 22.511 1.00 0.00 H new ATOM 0 HB2 SER A 97 -8.807 7.450 25.195 1.00 0.00 H new ATOM 0 HB3 SER A 97 -7.554 8.675 25.160 1.00 0.00 H new ATOM 0 HG SER A 97 -9.661 9.584 25.522 1.00 0.00 H new ATOM 1439 N GLY A 98 -5.781 7.229 23.809 1.00 0.00 N ATOM 1440 CA GLY A 98 -4.330 7.263 23.733 1.00 0.00 C ATOM 1441 C GLY A 98 -3.803 8.684 23.941 1.00 0.00 C ATOM 1442 O GLY A 98 -3.240 9.281 23.024 1.00 0.00 O ATOM 0 H GLY A 98 -6.157 6.573 24.493 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.907 6.600 24.488 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.004 6.889 22.762 1.00 0.00 H new TER 1446 GLY A 98