USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 620 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 89 ASN : amide:sc= 0.581 K(o=1.1,f=0) USER MOD Set 1.2: A 98 THR OG1 : rot 170:sc= 0.53 USER MOD Set 2.1: A 41 SER OG : rot 27:sc= 0.455 USER MOD Set 2.2: A 62 ASN : amide:sc= -0.581 X(o=-0.13,f=0.37) USER MOD Set 3.1: A 27 LYS NZ :NH3+ 151:sc= 1.73 (180deg=0.945) USER MOD Set 3.2: A 104 ASN : amide:sc= 0.116! K(o=1.8!,f=-2.8) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.0181 USER MOD Single : A 32 THR OG1 : rot -60:sc= 0.472 USER MOD Single : A 33 MET CE :methyl -167:sc= -0.933 (180deg=-1.24) USER MOD Single : A 34 LYS NZ :NH3+ -120:sc= 0.00661 (180deg=-0.0502!) USER MOD Single : A 35 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.5) USER MOD Single : A 40 CYS SG : rot 151:sc= 1.02 USER MOD Single : A 43 GLN : amide:sc= 1.09 K(o=1.1,f=-0.095) USER MOD Single : A 46 LYS NZ :NH3+ 172:sc= 0.549 (180deg=0.516) USER MOD Single : A 52 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -30:sc= -0.367 USER MOD Single : A 57 THR OG1 : rot -140:sc= -0.0527 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0195 USER MOD Single : A 60 SER OG : rot -150:sc= 0.168 USER MOD Single : A 63 THR OG1 : rot -43:sc= 0.247 USER MOD Single : A 69 THR OG1 : rot -151:sc= 0.725 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.414 X(o=0.41,f=0) USER MOD Single : A 95 SER OG : rot -140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 25 8.708 12.393 8.135 1.00 0.00 N ATOM 2 CA PRO A 25 9.689 13.398 7.689 1.00 0.00 C ATOM 3 C PRO A 25 9.035 14.772 7.415 1.00 0.00 C ATOM 4 O PRO A 25 8.541 15.376 8.368 1.00 0.00 O ATOM 5 CB PRO A 25 10.473 12.722 6.554 1.00 0.00 C ATOM 6 CG PRO A 25 10.390 11.219 6.892 1.00 0.00 C ATOM 7 CD PRO A 25 9.488 11.142 8.122 1.00 0.00 C ATOM 0 HA PRO A 25 10.410 13.689 8.453 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.033 12.938 5.580 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.506 13.068 6.521 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.974 10.650 6.061 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.377 10.806 7.099 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.831 10.274 8.070 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.078 11.041 9.033 1.00 0.00 H new ATOM 15 N ALA A 26 8.961 15.260 6.164 1.00 0.00 N ATOM 16 CA ALA A 26 8.155 16.445 5.792 1.00 0.00 C ATOM 17 C ALA A 26 6.675 16.246 6.187 1.00 0.00 C ATOM 18 O ALA A 26 6.039 17.104 6.801 1.00 0.00 O ATOM 19 CB ALA A 26 8.308 16.671 4.282 1.00 0.00 C ATOM 0 H ALA A 26 9.459 14.845 5.377 1.00 0.00 H new ATOM 0 HA ALA A 26 8.509 17.325 6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.722 17.540 3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.358 16.842 4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.953 15.792 3.745 1.00 0.00 H new ATOM 25 N LYS A 27 6.189 15.041 5.881 1.00 0.00 N ATOM 26 CA LYS A 27 4.983 14.379 6.383 1.00 0.00 C ATOM 27 C LYS A 27 5.461 13.031 6.896 1.00 0.00 C ATOM 28 O LYS A 27 6.471 12.497 6.421 1.00 0.00 O ATOM 29 CB LYS A 27 3.920 14.148 5.278 1.00 0.00 C ATOM 30 CG LYS A 27 2.568 14.808 5.590 1.00 0.00 C ATOM 31 CD LYS A 27 1.830 14.223 6.815 1.00 0.00 C ATOM 32 CE LYS A 27 1.015 12.960 6.506 1.00 0.00 C ATOM 33 NZ LYS A 27 -0.440 13.255 6.438 1.00 0.00 N ATOM 0 H LYS A 27 6.677 14.447 5.211 1.00 0.00 H new ATOM 0 HA LYS A 27 4.504 14.997 7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.298 14.538 4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.771 13.076 5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.729 15.873 5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.923 14.714 4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.560 13.991 7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.163 14.983 7.222 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.346 12.535 5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.200 12.209 7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.900 12.587 5.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.858 13.158 7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.582 14.226 6.094 1.00 0.00 H new ATOM 47 N ARG A 28 4.757 12.464 7.857 1.00 0.00 N ATOM 48 CA ARG A 28 4.917 11.056 8.196 1.00 0.00 C ATOM 49 C ARG A 28 3.540 10.451 8.315 1.00 0.00 C ATOM 50 O ARG A 28 2.622 11.055 8.871 1.00 0.00 O ATOM 51 CB ARG A 28 5.832 10.815 9.398 1.00 0.00 C ATOM 52 CG ARG A 28 5.249 10.948 10.819 1.00 0.00 C ATOM 53 CD ARG A 28 5.836 9.833 11.692 1.00 0.00 C ATOM 54 NE ARG A 28 5.155 8.546 11.398 1.00 0.00 N ATOM 55 CZ ARG A 28 5.608 7.521 10.698 1.00 0.00 C ATOM 56 NH1 ARG A 28 6.858 7.401 10.360 1.00 0.00 N ATOM 57 NH2 ARG A 28 4.786 6.601 10.303 1.00 0.00 N ATOM 0 H ARG A 28 4.065 12.957 8.421 1.00 0.00 H new ATOM 0 HA ARG A 28 5.453 10.541 7.398 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.242 9.809 9.303 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.669 11.509 9.319 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.492 11.925 11.238 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.162 10.874 10.791 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.906 9.739 11.505 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.717 10.084 12.746 1.00 0.00 H new ATOM 0 HE ARG A 28 4.218 8.440 11.786 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.532 8.115 10.636 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.165 6.593 9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.795 6.670 10.533 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.130 5.808 9.762 1.00 0.00 H new ATOM 71 N TYR A 29 3.400 9.295 7.703 1.00 0.00 N ATOM 72 CA TYR A 29 2.152 8.576 7.663 1.00 0.00 C ATOM 73 C TYR A 29 2.441 7.090 7.485 1.00 0.00 C ATOM 74 O TYR A 29 3.510 6.680 7.032 1.00 0.00 O ATOM 75 CB TYR A 29 1.278 9.127 6.514 1.00 0.00 C ATOM 76 CG TYR A 29 1.613 8.600 5.137 1.00 0.00 C ATOM 77 CD1 TYR A 29 1.163 7.310 4.787 1.00 0.00 C ATOM 78 CD2 TYR A 29 2.326 9.384 4.210 1.00 0.00 C ATOM 79 CE1 TYR A 29 1.508 6.742 3.554 1.00 0.00 C ATOM 80 CE2 TYR A 29 2.574 8.852 2.939 1.00 0.00 C ATOM 81 CZ TYR A 29 2.197 7.520 2.614 1.00 0.00 C ATOM 82 OH TYR A 29 2.394 6.979 1.392 1.00 0.00 O ATOM 0 H TYR A 29 4.162 8.825 7.214 1.00 0.00 H new ATOM 0 HA TYR A 29 1.603 8.710 8.595 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.235 8.895 6.730 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.367 10.213 6.501 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.546 6.754 5.477 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.673 10.372 4.473 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.247 5.718 3.331 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.060 9.463 2.193 1.00 0.00 H new ATOM 0 HH TYR A 29 1.660 6.364 1.184 1.00 0.00 H new ATOM 92 N ARG A 30 1.424 6.298 7.773 1.00 0.00 N ATOM 93 CA ARG A 30 1.330 4.884 7.475 1.00 0.00 C ATOM 94 C ARG A 30 -0.098 4.632 6.999 1.00 0.00 C ATOM 95 O ARG A 30 -1.049 5.151 7.585 1.00 0.00 O ATOM 96 CB ARG A 30 1.683 4.127 8.760 1.00 0.00 C ATOM 97 CG ARG A 30 1.706 2.600 8.643 1.00 0.00 C ATOM 98 CD ARG A 30 2.907 2.087 7.846 1.00 0.00 C ATOM 99 NE ARG A 30 4.189 2.436 8.488 1.00 0.00 N ATOM 100 CZ ARG A 30 4.985 1.647 9.169 1.00 0.00 C ATOM 101 NH1 ARG A 30 4.715 0.391 9.354 1.00 0.00 N ATOM 102 NH2 ARG A 30 6.070 2.140 9.677 1.00 0.00 N ATOM 0 H ARG A 30 0.593 6.648 8.250 1.00 0.00 H new ATOM 0 HA ARG A 30 2.012 4.546 6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.663 4.462 9.100 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.965 4.404 9.532 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.725 2.163 9.642 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.787 2.262 8.165 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.837 1.004 7.742 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.880 2.506 6.840 1.00 0.00 H new ATOM 0 HE ARG A 30 4.492 3.405 8.391 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.862 -0.010 8.964 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.356 -0.195 9.889 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.293 3.126 9.544 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.701 1.542 10.210 1.00 0.00 H new ATOM 116 N ILE A 31 -0.253 3.871 5.921 1.00 0.00 N ATOM 117 CA ILE A 31 -1.550 3.335 5.493 1.00 0.00 C ATOM 118 C ILE A 31 -1.603 1.858 5.784 1.00 0.00 C ATOM 119 O ILE A 31 -0.568 1.221 5.796 1.00 0.00 O ATOM 120 CB ILE A 31 -1.863 3.554 4.001 1.00 0.00 C ATOM 121 CG1 ILE A 31 -0.812 2.940 3.066 1.00 0.00 C ATOM 122 CG2 ILE A 31 -2.057 5.037 3.729 1.00 0.00 C ATOM 123 CD1 ILE A 31 -1.296 2.870 1.622 1.00 0.00 C ATOM 0 H ILE A 31 0.520 3.604 5.312 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.302 3.886 6.057 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.790 3.025 3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.103 3.531 3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.562 1.937 3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.278 5.187 2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.885 5.412 4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.147 5.577 3.989 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.518 2.429 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.195 2.256 1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.521 3.875 1.264 1.00 0.00 H new ATOM 135 N THR A 32 -2.812 1.358 5.953 1.00 0.00 N ATOM 136 CA THR A 32 -3.283 -0.022 6.027 1.00 0.00 C ATOM 137 C THR A 32 -3.642 -0.436 4.611 1.00 0.00 C ATOM 138 O THR A 32 -4.264 0.350 3.896 1.00 0.00 O ATOM 139 CB THR A 32 -4.579 -0.027 6.850 1.00 0.00 C ATOM 140 OG1 THR A 32 -4.532 0.696 8.053 1.00 0.00 O ATOM 141 CG2 THR A 32 -5.090 -1.425 7.179 1.00 0.00 C ATOM 0 H THR A 32 -3.600 1.997 6.057 1.00 0.00 H new ATOM 0 HA THR A 32 -2.536 -0.682 6.468 1.00 0.00 H new ATOM 0 HB THR A 32 -5.266 0.478 6.171 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.833 0.324 8.631 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.008 -1.349 7.762 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.291 -1.966 6.254 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.337 -1.961 7.757 1.00 0.00 H new ATOM 149 N MET A 33 -3.275 -1.665 4.231 1.00 0.00 N ATOM 150 CA MET A 33 -3.682 -2.329 2.993 1.00 0.00 C ATOM 151 C MET A 33 -3.997 -3.777 3.333 1.00 0.00 C ATOM 152 O MET A 33 -3.130 -4.615 3.587 1.00 0.00 O ATOM 153 CB MET A 33 -2.643 -2.223 1.880 1.00 0.00 C ATOM 154 CG MET A 33 -2.037 -0.829 1.708 1.00 0.00 C ATOM 155 SD MET A 33 -1.540 -0.284 0.048 1.00 0.00 S ATOM 156 CE MET A 33 -1.004 -1.837 -0.683 1.00 0.00 C ATOM 0 H MET A 33 -2.661 -2.246 4.803 1.00 0.00 H new ATOM 0 HA MET A 33 -4.563 -1.826 2.594 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.840 -2.932 2.081 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.105 -2.523 0.939 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.759 -0.107 2.089 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.158 -0.770 2.350 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.461 -1.636 -1.606 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.352 -2.362 0.015 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.874 -2.456 -0.902 1.00 0.00 H new ATOM 166 N LYS A 34 -5.294 -4.026 3.379 1.00 0.00 N ATOM 167 CA LYS A 34 -5.912 -5.145 4.061 1.00 0.00 C ATOM 168 C LYS A 34 -7.221 -5.532 3.442 1.00 0.00 C ATOM 169 O LYS A 34 -7.884 -4.680 2.863 1.00 0.00 O ATOM 170 CB LYS A 34 -6.273 -4.445 5.381 1.00 0.00 C ATOM 171 CG LYS A 34 -7.297 -4.995 6.362 1.00 0.00 C ATOM 172 CD LYS A 34 -8.733 -4.479 6.095 1.00 0.00 C ATOM 173 CE LYS A 34 -8.878 -2.979 6.416 1.00 0.00 C ATOM 174 NZ LYS A 34 -9.126 -2.187 5.188 1.00 0.00 N ATOM 0 H LYS A 34 -5.976 -3.423 2.919 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.285 -6.036 4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.342 -4.335 5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.607 -3.442 5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.293 -6.084 6.310 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.002 -4.723 7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.992 -4.653 5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.440 -5.048 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.699 -2.833 7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.973 -2.621 6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.365 -1.489 5.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.149 -2.822 4.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.038 -1.694 5.271 1.00 0.00 H new ATOM 188 N ASN A 35 -7.655 -6.749 3.703 1.00 0.00 N ATOM 189 CA ASN A 35 -9.034 -7.177 3.532 1.00 0.00 C ATOM 190 C ASN A 35 -9.154 -8.637 4.052 1.00 0.00 C ATOM 191 O ASN A 35 -8.133 -9.264 4.340 1.00 0.00 O ATOM 192 CB ASN A 35 -9.504 -6.884 2.083 1.00 0.00 C ATOM 193 CG ASN A 35 -10.649 -7.726 1.565 1.00 0.00 C ATOM 194 OD1 ASN A 35 -11.748 -7.706 2.104 1.00 0.00 O ATOM 195 ND2 ASN A 35 -10.428 -8.474 0.520 1.00 0.00 N ATOM 0 H ASN A 35 -7.044 -7.489 4.049 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.743 -6.608 4.133 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.797 -5.836 2.024 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.653 -7.016 1.414 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.176 -9.054 0.140 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.507 -8.479 0.082 1.00 0.00 H new ATOM 202 N LEU A 36 -10.360 -9.181 4.256 1.00 0.00 N ATOM 203 CA LEU A 36 -10.518 -10.540 4.807 1.00 0.00 C ATOM 204 C LEU A 36 -10.000 -11.632 3.833 1.00 0.00 C ATOM 205 O LEU A 36 -9.086 -12.368 4.221 1.00 0.00 O ATOM 206 CB LEU A 36 -11.958 -10.762 5.315 1.00 0.00 C ATOM 207 CG LEU A 36 -12.341 -9.894 6.531 1.00 0.00 C ATOM 208 CD1 LEU A 36 -13.798 -10.166 6.906 1.00 0.00 C ATOM 209 CD2 LEU A 36 -11.476 -10.164 7.768 1.00 0.00 C ATOM 0 H LEU A 36 -11.239 -8.707 4.050 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.876 -10.636 5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.654 -10.555 4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.080 -11.812 5.580 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.182 -8.858 6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.073 -9.554 7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.443 -9.918 6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.918 -11.220 7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.799 -9.520 8.586 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.581 -11.208 8.065 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.432 -9.957 7.534 1.00 0.00 H new ATOM 221 N PRO A 37 -10.483 -11.736 2.579 1.00 0.00 N ATOM 222 CA PRO A 37 -9.861 -12.569 1.552 1.00 0.00 C ATOM 223 C PRO A 37 -8.599 -11.899 0.953 1.00 0.00 C ATOM 224 O PRO A 37 -8.643 -11.329 -0.130 1.00 0.00 O ATOM 225 CB PRO A 37 -10.964 -12.867 0.521 1.00 0.00 C ATOM 226 CG PRO A 37 -11.879 -11.653 0.626 1.00 0.00 C ATOM 227 CD PRO A 37 -11.783 -11.275 2.107 1.00 0.00 C ATOM 0 HA PRO A 37 -9.482 -13.505 1.961 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.556 -12.978 -0.484 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.493 -13.791 0.754 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.547 -10.840 -0.020 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.902 -11.893 0.336 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.881 -10.197 2.237 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.588 -11.740 2.677 1.00 0.00 H new ATOM 235 N GLU A 38 -7.503 -11.954 1.730 1.00 0.00 N ATOM 236 CA GLU A 38 -6.079 -11.686 1.439 1.00 0.00 C ATOM 237 C GLU A 38 -5.441 -10.424 2.063 1.00 0.00 C ATOM 238 O GLU A 38 -6.042 -9.353 2.150 1.00 0.00 O ATOM 239 CB GLU A 38 -5.807 -11.750 -0.063 1.00 0.00 C ATOM 240 CG GLU A 38 -4.343 -11.872 -0.490 1.00 0.00 C ATOM 241 CD GLU A 38 -3.672 -13.123 0.096 1.00 0.00 C ATOM 242 OE1 GLU A 38 -3.152 -13.018 1.231 1.00 0.00 O ATOM 243 OE2 GLU A 38 -3.681 -14.198 -0.545 1.00 0.00 O ATOM 0 H GLU A 38 -7.608 -12.223 2.708 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.570 -12.496 1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.353 -12.600 -0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.222 -10.853 -0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.285 -11.906 -1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.797 -10.985 -0.169 1.00 0.00 H new ATOM 250 N GLY A 39 -4.151 -10.563 2.393 1.00 0.00 N ATOM 251 CA GLY A 39 -3.230 -9.497 2.815 1.00 0.00 C ATOM 252 C GLY A 39 -1.811 -9.608 2.217 1.00 0.00 C ATOM 253 O GLY A 39 -0.992 -8.721 2.459 1.00 0.00 O ATOM 0 H GLY A 39 -3.694 -11.475 2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.655 -8.534 2.534 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.155 -9.507 3.902 1.00 0.00 H new ATOM 257 N CYS A 40 -1.526 -10.653 1.428 1.00 0.00 N ATOM 258 CA CYS A 40 -0.252 -10.951 0.772 1.00 0.00 C ATOM 259 C CYS A 40 0.989 -10.806 1.691 1.00 0.00 C ATOM 260 O CYS A 40 0.989 -11.271 2.828 1.00 0.00 O ATOM 261 CB CYS A 40 -0.206 -10.196 -0.557 1.00 0.00 C ATOM 262 SG CYS A 40 -1.346 -10.958 -1.755 1.00 0.00 S ATOM 0 H CYS A 40 -2.231 -11.360 1.219 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.198 -12.015 0.541 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.477 -9.152 -0.400 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.809 -10.205 -0.954 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.767 -10.054 -2.589 1.00 0.00 H new ATOM 268 N SER A 41 2.066 -10.241 1.157 1.00 0.00 N ATOM 269 CA SER A 41 3.410 -10.071 1.743 1.00 0.00 C ATOM 270 C SER A 41 4.032 -8.808 1.139 1.00 0.00 C ATOM 271 O SER A 41 3.484 -8.279 0.167 1.00 0.00 O ATOM 272 CB SER A 41 4.282 -11.278 1.373 1.00 0.00 C ATOM 273 OG SER A 41 3.996 -12.364 2.236 1.00 0.00 O ATOM 0 H SER A 41 2.027 -9.851 0.215 1.00 0.00 H new ATOM 0 HA SER A 41 3.343 -9.990 2.828 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.098 -11.567 0.338 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.336 -11.012 1.447 1.00 0.00 H new ATOM 0 HG SER A 41 3.078 -12.284 2.570 1.00 0.00 H new ATOM 279 N TRP A 42 5.160 -8.301 1.659 1.00 0.00 N ATOM 280 CA TRP A 42 5.693 -7.039 1.125 1.00 0.00 C ATOM 281 C TRP A 42 6.010 -7.101 -0.363 1.00 0.00 C ATOM 282 O TRP A 42 5.497 -6.286 -1.123 1.00 0.00 O ATOM 283 CB TRP A 42 6.870 -6.467 1.928 1.00 0.00 C ATOM 284 CG TRP A 42 7.382 -5.155 1.369 1.00 0.00 C ATOM 285 CD1 TRP A 42 8.681 -4.780 1.317 1.00 0.00 C ATOM 286 CD2 TRP A 42 6.644 -4.079 0.686 1.00 0.00 C ATOM 287 NE1 TRP A 42 8.802 -3.589 0.627 1.00 0.00 N ATOM 288 CE2 TRP A 42 7.585 -3.147 0.149 1.00 0.00 C ATOM 289 CE3 TRP A 42 5.279 -3.807 0.423 1.00 0.00 C ATOM 290 CZ2 TRP A 42 7.201 -2.068 -0.658 1.00 0.00 C ATOM 291 CZ3 TRP A 42 4.887 -2.764 -0.423 1.00 0.00 C ATOM 292 CH2 TRP A 42 5.840 -1.902 -0.973 1.00 0.00 C ATOM 0 H TRP A 42 5.700 -8.722 2.415 1.00 0.00 H new ATOM 0 HA TRP A 42 4.872 -6.333 1.247 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.560 -6.319 2.962 1.00 0.00 H new ATOM 0 HB3 TRP A 42 7.683 -7.193 1.939 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.502 -5.331 1.751 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.684 -3.096 0.488 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.521 -4.421 0.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.939 -1.374 -1.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 3.841 -2.624 -0.653 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.532 -1.110 -1.639 1.00 0.00 H new ATOM 303 N GLN A 43 6.760 -8.097 -0.840 1.00 0.00 N ATOM 304 CA GLN A 43 7.119 -8.140 -2.263 1.00 0.00 C ATOM 305 C GLN A 43 5.937 -8.266 -3.232 1.00 0.00 C ATOM 306 O GLN A 43 5.990 -7.775 -4.364 1.00 0.00 O ATOM 307 CB GLN A 43 8.238 -9.167 -2.501 1.00 0.00 C ATOM 308 CG GLN A 43 7.811 -10.644 -2.360 1.00 0.00 C ATOM 309 CD GLN A 43 7.549 -11.339 -3.700 1.00 0.00 C ATOM 310 OE1 GLN A 43 8.365 -11.323 -4.610 1.00 0.00 O ATOM 311 NE2 GLN A 43 6.424 -11.994 -3.880 1.00 0.00 N ATOM 0 H GLN A 43 7.124 -8.868 -0.280 1.00 0.00 H new ATOM 0 HA GLN A 43 7.512 -7.154 -2.513 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.642 -9.016 -3.502 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.047 -8.970 -1.797 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.589 -11.188 -1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.908 -10.696 -1.751 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.726 -12.023 -3.137 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.249 -12.473 -4.763 1.00 0.00 H new ATOM 320 N ASP A 44 4.834 -8.812 -2.733 1.00 0.00 N ATOM 321 CA ASP A 44 3.577 -8.952 -3.450 1.00 0.00 C ATOM 322 C ASP A 44 2.811 -7.627 -3.497 1.00 0.00 C ATOM 323 O ASP A 44 2.293 -7.235 -4.548 1.00 0.00 O ATOM 324 CB ASP A 44 2.766 -10.002 -2.708 1.00 0.00 C ATOM 325 CG ASP A 44 3.240 -11.426 -3.001 1.00 0.00 C ATOM 326 OD1 ASP A 44 2.736 -12.035 -3.976 1.00 0.00 O ATOM 327 OD2 ASP A 44 4.124 -11.925 -2.276 1.00 0.00 O ATOM 0 H ASP A 44 4.791 -9.182 -1.783 1.00 0.00 H new ATOM 0 HA ASP A 44 3.761 -9.246 -4.483 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.830 -9.815 -1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.716 -9.908 -2.986 1.00 0.00 H new ATOM 332 N LEU A 45 2.773 -6.912 -2.373 1.00 0.00 N ATOM 333 CA LEU A 45 2.177 -5.589 -2.254 1.00 0.00 C ATOM 334 C LEU A 45 2.967 -4.495 -2.965 1.00 0.00 C ATOM 335 O LEU A 45 2.361 -3.555 -3.466 1.00 0.00 O ATOM 336 CB LEU A 45 2.081 -5.278 -0.766 1.00 0.00 C ATOM 337 CG LEU A 45 0.886 -5.935 -0.074 1.00 0.00 C ATOM 338 CD1 LEU A 45 0.949 -5.455 1.357 1.00 0.00 C ATOM 339 CD2 LEU A 45 -0.466 -5.499 -0.641 1.00 0.00 C ATOM 0 H LEU A 45 3.169 -7.251 -1.496 1.00 0.00 H new ATOM 0 HA LEU A 45 1.201 -5.603 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.998 -5.606 -0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.017 -4.198 -0.633 1.00 0.00 H new ATOM 0 HG LEU A 45 0.950 -7.015 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.121 -5.884 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.893 -5.766 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.878 -4.368 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.267 -6.005 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.577 -4.421 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.519 -5.760 -1.698 1.00 0.00 H new ATOM 351 N LYS A 46 4.291 -4.631 -3.042 1.00 0.00 N ATOM 352 CA LYS A 46 5.212 -3.873 -3.903 1.00 0.00 C ATOM 353 C LYS A 46 4.782 -4.142 -5.313 1.00 0.00 C ATOM 354 O LYS A 46 4.489 -3.202 -6.034 1.00 0.00 O ATOM 355 CB LYS A 46 6.629 -4.366 -3.561 1.00 0.00 C ATOM 356 CG LYS A 46 7.765 -3.566 -4.196 1.00 0.00 C ATOM 357 CD LYS A 46 8.047 -3.851 -5.675 1.00 0.00 C ATOM 358 CE LYS A 46 8.817 -5.158 -5.955 1.00 0.00 C ATOM 359 NZ LYS A 46 7.953 -6.360 -6.142 1.00 0.00 N ATOM 0 H LYS A 46 4.785 -5.316 -2.470 1.00 0.00 H new ATOM 0 HA LYS A 46 5.204 -2.792 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.752 -4.346 -2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.720 -5.407 -3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.539 -2.505 -4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.677 -3.757 -3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.098 -3.885 -6.210 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.615 -3.017 -6.088 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.425 -5.021 -6.849 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.503 -5.345 -5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.536 -7.161 -6.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.493 -6.600 -5.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.227 -6.157 -6.858 1.00 0.00 H new ATOM 373 N ASP A 47 4.644 -5.402 -5.704 1.00 0.00 N ATOM 374 CA ASP A 47 4.164 -5.704 -7.037 1.00 0.00 C ATOM 375 C ASP A 47 2.829 -5.053 -7.358 1.00 0.00 C ATOM 376 O ASP A 47 2.780 -4.316 -8.338 1.00 0.00 O ATOM 377 CB ASP A 47 4.159 -7.214 -7.285 1.00 0.00 C ATOM 378 CG ASP A 47 5.142 -7.593 -8.403 1.00 0.00 C ATOM 379 OD1 ASP A 47 6.334 -7.212 -8.295 1.00 0.00 O ATOM 380 OD2 ASP A 47 4.716 -8.254 -9.378 1.00 0.00 O ATOM 0 H ASP A 47 4.855 -6.215 -5.126 1.00 0.00 H new ATOM 0 HA ASP A 47 4.869 -5.256 -7.737 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.427 -7.737 -6.367 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.154 -7.538 -7.555 1.00 0.00 H new ATOM 385 N LEU A 48 1.804 -5.185 -6.516 1.00 0.00 N ATOM 386 CA LEU A 48 0.570 -4.444 -6.760 1.00 0.00 C ATOM 387 C LEU A 48 0.802 -2.939 -6.799 1.00 0.00 C ATOM 388 O LEU A 48 0.354 -2.279 -7.727 1.00 0.00 O ATOM 389 CB LEU A 48 -0.580 -4.834 -5.821 1.00 0.00 C ATOM 390 CG LEU A 48 -1.860 -4.035 -6.163 1.00 0.00 C ATOM 391 CD1 LEU A 48 -3.110 -4.732 -5.672 1.00 0.00 C ATOM 392 CD2 LEU A 48 -1.873 -2.662 -5.526 1.00 0.00 C ATOM 0 H LEU A 48 1.801 -5.778 -5.686 1.00 0.00 H new ATOM 0 HA LEU A 48 0.242 -4.743 -7.755 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.779 -5.902 -5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.292 -4.644 -4.787 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.852 -3.956 -7.250 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.985 -4.137 -5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.186 -5.714 -6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.060 -4.848 -4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.792 -2.144 -5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.820 -2.763 -4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.016 -2.089 -5.879 1.00 0.00 H new ATOM 404 N ALA A 49 1.466 -2.353 -5.818 1.00 0.00 N ATOM 405 CA ALA A 49 1.700 -0.918 -5.781 1.00 0.00 C ATOM 406 C ALA A 49 2.369 -0.412 -7.079 1.00 0.00 C ATOM 407 O ALA A 49 1.974 0.607 -7.650 1.00 0.00 O ATOM 408 CB ALA A 49 2.519 -0.679 -4.523 1.00 0.00 C ATOM 0 H ALA A 49 1.859 -2.858 -5.024 1.00 0.00 H new ATOM 0 HA ALA A 49 0.774 -0.345 -5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.736 0.385 -4.426 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.955 -1.015 -3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.454 -1.235 -4.587 1.00 0.00 H new ATOM 414 N ARG A 50 3.296 -1.211 -7.606 1.00 0.00 N ATOM 415 CA ARG A 50 3.966 -1.025 -8.896 1.00 0.00 C ATOM 416 C ARG A 50 3.015 -1.247 -10.094 1.00 0.00 C ATOM 417 O ARG A 50 3.209 -0.618 -11.135 1.00 0.00 O ATOM 418 CB ARG A 50 5.213 -1.930 -8.897 1.00 0.00 C ATOM 419 CG ARG A 50 6.418 -1.406 -8.077 1.00 0.00 C ATOM 420 CD ARG A 50 6.295 -0.898 -6.634 1.00 0.00 C ATOM 421 NE ARG A 50 7.524 -0.205 -6.177 1.00 0.00 N ATOM 422 CZ ARG A 50 8.056 0.929 -6.602 1.00 0.00 C ATOM 423 NH1 ARG A 50 7.470 1.719 -7.450 1.00 0.00 N ATOM 424 NH2 ARG A 50 9.218 1.301 -6.153 1.00 0.00 N ATOM 0 H ARG A 50 3.618 -2.049 -7.121 1.00 0.00 H new ATOM 0 HA ARG A 50 4.284 0.010 -9.022 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.930 -2.909 -8.510 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.534 -2.076 -9.928 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.152 -2.211 -8.059 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.853 -0.591 -8.655 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.447 -0.216 -6.562 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.086 -1.738 -5.972 1.00 0.00 H new ATOM 0 HE ARG A 50 8.033 -0.671 -5.426 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.552 1.476 -7.823 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.928 2.582 -7.743 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.714 0.720 -5.477 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.634 2.174 -6.477 1.00 0.00 H new ATOM 438 N GLU A 51 1.954 -2.056 -9.959 1.00 0.00 N ATOM 439 CA GLU A 51 0.815 -2.148 -10.910 1.00 0.00 C ATOM 440 C GLU A 51 0.003 -0.851 -10.970 1.00 0.00 C ATOM 441 O GLU A 51 -0.517 -0.442 -12.009 1.00 0.00 O ATOM 442 CB GLU A 51 -0.229 -3.228 -10.539 1.00 0.00 C ATOM 443 CG GLU A 51 0.306 -4.656 -10.441 1.00 0.00 C ATOM 444 CD GLU A 51 0.305 -5.440 -11.764 1.00 0.00 C ATOM 445 OE1 GLU A 51 -0.685 -6.154 -12.043 1.00 0.00 O ATOM 446 OE2 GLU A 51 1.358 -5.492 -12.440 1.00 0.00 O ATOM 0 H GLU A 51 1.853 -2.687 -9.164 1.00 0.00 H new ATOM 0 HA GLU A 51 1.308 -2.385 -11.853 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.678 -2.961 -9.582 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.026 -3.208 -11.282 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.326 -4.621 -10.057 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.291 -5.203 -9.711 1.00 0.00 H new ATOM 453 N ASN A 52 -0.116 -0.239 -9.798 1.00 0.00 N ATOM 454 CA ASN A 52 -1.058 0.816 -9.471 1.00 0.00 C ATOM 455 C ASN A 52 -0.506 2.248 -9.484 1.00 0.00 C ATOM 456 O ASN A 52 -1.302 3.180 -9.402 1.00 0.00 O ATOM 457 CB ASN A 52 -1.604 0.398 -8.104 1.00 0.00 C ATOM 458 CG ASN A 52 -2.912 -0.351 -8.236 1.00 0.00 C ATOM 459 OD1 ASN A 52 -2.845 -1.653 -8.360 1.00 0.00 O flip ATOM 460 ND2 ASN A 52 -3.991 0.216 -8.255 1.00 0.00 N flip ATOM 0 H ASN A 52 0.479 -0.483 -9.006 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.822 0.894 -10.244 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.873 -0.231 -7.596 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.751 1.282 -7.483 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.036 1.230 -8.158 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.849 -0.324 -8.368 1.00 0.00 H new ATOM 467 N SER A 53 0.816 2.412 -9.575 1.00 0.00 N ATOM 468 CA SER A 53 1.589 3.667 -9.752 1.00 0.00 C ATOM 469 C SER A 53 2.152 4.212 -8.421 1.00 0.00 C ATOM 470 O SER A 53 2.717 5.310 -8.395 1.00 0.00 O ATOM 471 CB SER A 53 0.860 4.791 -10.512 1.00 0.00 C ATOM 472 OG SER A 53 0.386 4.364 -11.775 1.00 0.00 O ATOM 0 H SER A 53 1.438 1.605 -9.523 1.00 0.00 H new ATOM 0 HA SER A 53 2.415 3.356 -10.392 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.022 5.147 -9.913 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.537 5.634 -10.646 1.00 0.00 H new ATOM 0 HG SER A 53 -0.071 5.107 -12.221 1.00 0.00 H new ATOM 478 N LEU A 54 2.009 3.461 -7.322 1.00 0.00 N ATOM 479 CA LEU A 54 2.682 3.762 -6.064 1.00 0.00 C ATOM 480 C LEU A 54 4.191 3.536 -6.193 1.00 0.00 C ATOM 481 O LEU A 54 4.695 2.846 -7.087 1.00 0.00 O ATOM 482 CB LEU A 54 2.146 2.872 -4.920 1.00 0.00 C ATOM 483 CG LEU A 54 0.848 3.241 -4.170 1.00 0.00 C ATOM 484 CD1 LEU A 54 0.961 2.791 -2.703 1.00 0.00 C ATOM 485 CD2 LEU A 54 0.501 4.728 -4.227 1.00 0.00 C ATOM 0 H LEU A 54 1.422 2.628 -7.286 1.00 0.00 H new ATOM 0 HA LEU A 54 2.483 4.808 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.004 1.873 -5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.937 2.800 -4.174 1.00 0.00 H new ATOM 0 HG LEU A 54 0.037 2.720 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.046 3.051 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.110 1.712 -2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.808 3.291 -2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.423 4.907 -3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.308 5.307 -3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.370 5.032 -5.266 1.00 0.00 H new ATOM 497 N GLU A 55 4.892 4.082 -5.215 1.00 0.00 N ATOM 498 CA GLU A 55 6.339 4.022 -5.072 1.00 0.00 C ATOM 499 C GLU A 55 6.727 3.694 -3.633 1.00 0.00 C ATOM 500 O GLU A 55 7.360 2.675 -3.358 1.00 0.00 O ATOM 501 CB GLU A 55 6.894 5.373 -5.548 1.00 0.00 C ATOM 502 CG GLU A 55 8.416 5.479 -5.516 1.00 0.00 C ATOM 503 CD GLU A 55 9.110 4.524 -6.501 1.00 0.00 C ATOM 504 OE1 GLU A 55 8.577 4.260 -7.606 1.00 0.00 O ATOM 505 OE2 GLU A 55 10.170 3.949 -6.167 1.00 0.00 O ATOM 0 H GLU A 55 4.447 4.605 -4.461 1.00 0.00 H new ATOM 0 HA GLU A 55 6.768 3.223 -5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.551 5.554 -6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.474 6.163 -4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.707 6.504 -5.747 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.767 5.268 -4.506 1.00 0.00 H new ATOM 512 N THR A 56 6.210 4.534 -2.750 1.00 0.00 N ATOM 513 CA THR A 56 6.427 4.582 -1.294 1.00 0.00 C ATOM 514 C THR A 56 7.908 4.467 -0.874 1.00 0.00 C ATOM 515 O THR A 56 8.823 4.522 -1.703 1.00 0.00 O ATOM 516 CB THR A 56 5.554 3.536 -0.573 1.00 0.00 C ATOM 517 OG1 THR A 56 6.118 2.253 -0.712 1.00 0.00 O ATOM 518 CG2 THR A 56 4.105 3.478 -1.054 1.00 0.00 C ATOM 0 H THR A 56 5.570 5.269 -3.051 1.00 0.00 H new ATOM 0 HA THR A 56 6.116 5.578 -0.979 1.00 0.00 H new ATOM 0 HB THR A 56 5.532 3.856 0.469 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.606 2.200 -1.560 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.565 2.715 -0.492 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.631 4.447 -0.898 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.084 3.230 -2.115 1.00 0.00 H new ATOM 526 N THR A 57 8.174 4.359 0.421 1.00 0.00 N ATOM 527 CA THR A 57 9.503 4.010 0.946 1.00 0.00 C ATOM 528 C THR A 57 9.546 2.517 1.219 1.00 0.00 C ATOM 529 O THR A 57 10.477 1.823 0.803 1.00 0.00 O ATOM 530 CB THR A 57 9.784 4.698 2.295 1.00 0.00 C ATOM 531 OG1 THR A 57 9.503 6.077 2.225 1.00 0.00 O ATOM 532 CG2 THR A 57 11.233 4.557 2.750 1.00 0.00 C ATOM 0 H THR A 57 7.474 4.511 1.148 1.00 0.00 H new ATOM 0 HA THR A 57 10.237 4.327 0.205 1.00 0.00 H new ATOM 0 HB THR A 57 9.135 4.196 3.012 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.188 6.576 2.717 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.365 5.063 3.706 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.478 3.501 2.862 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.893 5.006 2.008 1.00 0.00 H new ATOM 540 N PHE A 58 8.532 2.037 1.946 1.00 0.00 N ATOM 541 CA PHE A 58 8.510 0.712 2.540 1.00 0.00 C ATOM 542 C PHE A 58 7.135 0.318 3.074 1.00 0.00 C ATOM 543 O PHE A 58 6.241 1.160 3.187 1.00 0.00 O ATOM 544 CB PHE A 58 9.545 0.704 3.676 1.00 0.00 C ATOM 545 CG PHE A 58 9.124 1.000 5.108 1.00 0.00 C ATOM 546 CD1 PHE A 58 9.025 2.326 5.566 1.00 0.00 C ATOM 547 CD2 PHE A 58 8.979 -0.065 6.019 1.00 0.00 C ATOM 548 CE1 PHE A 58 8.854 2.581 6.938 1.00 0.00 C ATOM 549 CE2 PHE A 58 8.771 0.192 7.381 1.00 0.00 C ATOM 550 CZ PHE A 58 8.739 1.517 7.845 1.00 0.00 C ATOM 0 H PHE A 58 7.688 2.577 2.138 1.00 0.00 H new ATOM 0 HA PHE A 58 8.750 -0.022 1.771 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.015 -0.280 3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.317 1.426 3.412 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.080 3.146 4.866 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.028 -1.084 5.666 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.811 3.599 7.295 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.636 -0.627 8.072 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.626 1.717 8.900 1.00 0.00 H new ATOM 560 N SER A 59 7.006 -0.945 3.491 1.00 0.00 N ATOM 561 CA SER A 59 5.851 -1.440 4.233 1.00 0.00 C ATOM 562 C SER A 59 6.226 -2.436 5.336 1.00 0.00 C ATOM 563 O SER A 59 7.192 -3.198 5.223 1.00 0.00 O ATOM 564 CB SER A 59 4.879 -2.136 3.299 1.00 0.00 C ATOM 565 OG SER A 59 3.808 -2.764 3.965 1.00 0.00 O ATOM 0 H SER A 59 7.713 -1.660 3.318 1.00 0.00 H new ATOM 0 HA SER A 59 5.400 -0.562 4.695 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.480 -1.407 2.594 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.420 -2.881 2.715 1.00 0.00 H new ATOM 0 HG SER A 59 3.219 -3.191 3.308 1.00 0.00 H new ATOM 571 N SER A 60 5.397 -2.450 6.369 1.00 0.00 N ATOM 572 CA SER A 60 5.346 -3.479 7.406 1.00 0.00 C ATOM 573 C SER A 60 4.266 -4.502 7.024 1.00 0.00 C ATOM 574 O SER A 60 3.077 -4.174 6.998 1.00 0.00 O ATOM 575 CB SER A 60 4.979 -2.830 8.744 1.00 0.00 C ATOM 576 OG SER A 60 6.082 -2.113 9.284 1.00 0.00 O ATOM 0 H SER A 60 4.709 -1.712 6.517 1.00 0.00 H new ATOM 0 HA SER A 60 6.314 -3.971 7.496 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.135 -2.154 8.605 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.660 -3.598 9.449 1.00 0.00 H new ATOM 0 HG SER A 60 6.029 -2.119 10.263 1.00 0.00 H new ATOM 582 N VAL A 61 4.675 -5.740 6.726 1.00 0.00 N ATOM 583 CA VAL A 61 3.805 -6.898 6.418 1.00 0.00 C ATOM 584 C VAL A 61 4.323 -8.132 7.169 1.00 0.00 C ATOM 585 O VAL A 61 5.481 -8.160 7.587 1.00 0.00 O ATOM 586 CB VAL A 61 3.740 -7.198 4.900 1.00 0.00 C ATOM 587 CG1 VAL A 61 2.437 -7.925 4.518 1.00 0.00 C ATOM 588 CG2 VAL A 61 3.835 -5.956 4.004 1.00 0.00 C ATOM 0 H VAL A 61 5.665 -5.981 6.689 1.00 0.00 H new ATOM 0 HA VAL A 61 2.794 -6.651 6.742 1.00 0.00 H new ATOM 0 HB VAL A 61 4.615 -7.824 4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.429 -8.118 3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.376 -8.870 5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.582 -7.302 4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.781 -6.257 2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.010 -5.280 4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.781 -5.447 4.187 1.00 0.00 H new ATOM 598 N ASN A 62 3.487 -9.163 7.348 1.00 0.00 N ATOM 599 CA ASN A 62 3.830 -10.491 7.902 1.00 0.00 C ATOM 600 C ASN A 62 4.225 -10.535 9.397 1.00 0.00 C ATOM 601 O ASN A 62 4.450 -11.617 9.946 1.00 0.00 O ATOM 602 CB ASN A 62 4.882 -11.179 7.008 1.00 0.00 C ATOM 603 CG ASN A 62 4.392 -11.436 5.596 1.00 0.00 C ATOM 604 OD1 ASN A 62 3.325 -11.991 5.377 1.00 0.00 O ATOM 605 ND2 ASN A 62 5.148 -11.065 4.582 1.00 0.00 N ATOM 0 H ASN A 62 2.500 -9.096 7.099 1.00 0.00 H new ATOM 0 HA ASN A 62 2.895 -11.052 7.886 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.777 -10.558 6.967 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.172 -12.126 7.463 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.841 -11.242 3.625 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.040 -10.601 4.754 1.00 0.00 H new ATOM 612 N THR A 63 4.262 -9.388 10.088 1.00 0.00 N ATOM 613 CA THR A 63 4.555 -9.247 11.531 1.00 0.00 C ATOM 614 C THR A 63 3.563 -8.284 12.217 1.00 0.00 C ATOM 615 O THR A 63 3.840 -7.730 13.285 1.00 0.00 O ATOM 616 CB THR A 63 6.042 -8.867 11.714 1.00 0.00 C ATOM 617 OG1 THR A 63 6.452 -8.954 13.064 1.00 0.00 O ATOM 618 CG2 THR A 63 6.423 -7.484 11.173 1.00 0.00 C ATOM 0 H THR A 63 4.081 -8.489 9.641 1.00 0.00 H new ATOM 0 HA THR A 63 4.406 -10.200 12.039 1.00 0.00 H new ATOM 0 HB THR A 63 6.569 -9.607 11.112 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.759 -8.571 13.642 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.484 -7.305 11.346 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.218 -7.443 10.103 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.838 -6.719 11.685 1.00 0.00 H new ATOM 626 N ARG A 64 2.402 -8.052 11.581 1.00 0.00 N ATOM 627 CA ARG A 64 1.406 -7.019 11.926 1.00 0.00 C ATOM 628 C ARG A 64 -0.021 -7.443 11.509 1.00 0.00 C ATOM 629 O ARG A 64 -0.195 -8.197 10.555 1.00 0.00 O ATOM 630 CB ARG A 64 1.911 -5.709 11.266 1.00 0.00 C ATOM 631 CG ARG A 64 0.951 -4.508 11.255 1.00 0.00 C ATOM 632 CD ARG A 64 0.190 -4.414 9.923 1.00 0.00 C ATOM 633 NE ARG A 64 -1.126 -3.769 10.068 1.00 0.00 N ATOM 634 CZ ARG A 64 -1.424 -2.508 10.295 1.00 0.00 C ATOM 635 NH1 ARG A 64 -0.531 -1.588 10.509 1.00 0.00 N ATOM 636 NH2 ARG A 64 -2.669 -2.159 10.308 1.00 0.00 N ATOM 0 H ARG A 64 2.117 -8.606 10.773 1.00 0.00 H new ATOM 0 HA ARG A 64 1.316 -6.869 13.002 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.825 -5.405 11.776 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.181 -5.934 10.234 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.241 -4.600 12.077 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.513 -3.589 11.421 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.789 -3.853 9.205 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.057 -5.415 9.513 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.927 -4.394 9.979 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.460 -1.829 10.506 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.821 -0.625 10.680 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.396 -2.856 10.144 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.924 -1.187 10.482 1.00 0.00 H new ATOM 650 N ASP A 65 -1.021 -6.926 12.235 1.00 0.00 N ATOM 651 CA ASP A 65 -2.483 -7.090 12.057 1.00 0.00 C ATOM 652 C ASP A 65 -3.087 -8.421 12.572 1.00 0.00 C ATOM 653 O ASP A 65 -2.412 -9.215 13.232 1.00 0.00 O ATOM 654 CB ASP A 65 -2.934 -6.785 10.619 1.00 0.00 C ATOM 655 CG ASP A 65 -4.104 -5.786 10.609 1.00 0.00 C ATOM 656 OD1 ASP A 65 -5.189 -6.143 11.122 1.00 0.00 O ATOM 657 OD2 ASP A 65 -3.915 -4.643 10.130 1.00 0.00 O ATOM 0 H ASP A 65 -0.817 -6.328 13.035 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.901 -6.333 12.721 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.098 -6.377 10.051 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.235 -7.709 10.125 1.00 0.00 H new ATOM 662 N PHE A 66 -4.376 -8.645 12.261 1.00 0.00 N ATOM 663 CA PHE A 66 -5.185 -9.827 12.600 1.00 0.00 C ATOM 664 C PHE A 66 -4.486 -11.175 12.333 1.00 0.00 C ATOM 665 O PHE A 66 -4.625 -12.115 13.117 1.00 0.00 O ATOM 666 CB PHE A 66 -6.535 -9.731 11.846 1.00 0.00 C ATOM 667 CG PHE A 66 -6.513 -9.925 10.332 1.00 0.00 C ATOM 668 CD1 PHE A 66 -6.395 -11.217 9.773 1.00 0.00 C ATOM 669 CD2 PHE A 66 -6.646 -8.824 9.460 1.00 0.00 C ATOM 670 CE1 PHE A 66 -6.320 -11.399 8.383 1.00 0.00 C ATOM 671 CE2 PHE A 66 -6.631 -9.016 8.064 1.00 0.00 C ATOM 672 CZ PHE A 66 -6.449 -10.299 7.517 1.00 0.00 C ATOM 0 H PHE A 66 -4.915 -7.960 11.731 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.344 -9.816 13.678 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.211 -10.474 12.270 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.967 -8.752 12.053 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.362 -12.078 10.425 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.760 -7.829 9.864 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.163 -12.388 7.977 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.761 -8.169 7.407 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.409 -10.437 6.447 1.00 0.00 H new ATOM 682 N ASP A 67 -3.726 -11.253 11.237 1.00 0.00 N ATOM 683 CA ASP A 67 -2.892 -12.390 10.820 1.00 0.00 C ATOM 684 C ASP A 67 -1.961 -11.943 9.680 1.00 0.00 C ATOM 685 O ASP A 67 -0.789 -12.323 9.639 1.00 0.00 O ATOM 686 CB ASP A 67 -3.764 -13.565 10.338 1.00 0.00 C ATOM 687 CG ASP A 67 -2.916 -14.805 10.012 1.00 0.00 C ATOM 688 OD1 ASP A 67 -2.286 -15.377 10.932 1.00 0.00 O ATOM 689 OD2 ASP A 67 -2.901 -15.224 8.832 1.00 0.00 O ATOM 0 H ASP A 67 -3.671 -10.479 10.575 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.306 -12.724 11.676 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.495 -13.816 11.107 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.324 -13.264 9.453 1.00 0.00 H new ATOM 694 N GLY A 68 -2.467 -11.077 8.791 1.00 0.00 N ATOM 695 CA GLY A 68 -1.663 -10.381 7.796 1.00 0.00 C ATOM 696 C GLY A 68 -2.427 -9.347 6.972 1.00 0.00 C ATOM 697 O GLY A 68 -3.437 -9.637 6.331 1.00 0.00 O ATOM 0 H GLY A 68 -3.459 -10.842 8.748 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.834 -9.884 8.300 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.229 -11.117 7.119 1.00 0.00 H new ATOM 701 N THR A 69 -1.872 -8.142 6.972 1.00 0.00 N ATOM 702 CA THR A 69 -2.164 -6.969 6.126 1.00 0.00 C ATOM 703 C THR A 69 -0.826 -6.275 5.911 1.00 0.00 C ATOM 704 O THR A 69 0.109 -6.452 6.701 1.00 0.00 O ATOM 705 CB THR A 69 -3.139 -5.972 6.767 1.00 0.00 C ATOM 706 OG1 THR A 69 -2.550 -5.277 7.832 1.00 0.00 O ATOM 707 CG2 THR A 69 -4.417 -6.632 7.265 1.00 0.00 C ATOM 0 H THR A 69 -1.124 -7.929 7.632 1.00 0.00 H new ATOM 0 HA THR A 69 -2.642 -7.305 5.206 1.00 0.00 H new ATOM 0 HB THR A 69 -3.396 -5.273 5.971 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.240 -5.029 8.482 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.067 -5.878 7.708 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.930 -7.108 6.429 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.170 -7.384 8.015 1.00 0.00 H new ATOM 715 N GLY A 70 -0.716 -5.487 4.847 1.00 0.00 N ATOM 716 CA GLY A 70 0.426 -4.600 4.699 1.00 0.00 C ATOM 717 C GLY A 70 0.110 -3.242 5.273 1.00 0.00 C ATOM 718 O GLY A 70 -1.053 -2.848 5.390 1.00 0.00 O ATOM 0 H GLY A 70 -1.394 -5.446 4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.293 -5.024 5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.688 -4.505 3.645 1.00 0.00 H new ATOM 722 N ALA A 71 1.159 -2.502 5.597 1.00 0.00 N ATOM 723 CA ALA A 71 1.020 -1.108 5.953 1.00 0.00 C ATOM 724 C ALA A 71 2.187 -0.279 5.398 1.00 0.00 C ATOM 725 O ALA A 71 3.325 -0.481 5.820 1.00 0.00 O ATOM 726 CB ALA A 71 0.857 -1.033 7.477 1.00 0.00 C ATOM 0 H ALA A 71 2.118 -2.850 5.619 1.00 0.00 H new ATOM 0 HA ALA A 71 0.134 -0.665 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.749 0.008 7.781 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.030 -1.592 7.776 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.736 -1.462 7.958 1.00 0.00 H new ATOM 732 N LEU A 72 1.923 0.581 4.409 1.00 0.00 N ATOM 733 CA LEU A 72 2.924 1.308 3.605 1.00 0.00 C ATOM 734 C LEU A 72 3.184 2.711 4.184 1.00 0.00 C ATOM 735 O LEU A 72 2.285 3.330 4.747 1.00 0.00 O ATOM 736 CB LEU A 72 2.396 1.529 2.194 1.00 0.00 C ATOM 737 CG LEU A 72 2.562 0.432 1.139 1.00 0.00 C ATOM 738 CD1 LEU A 72 4.014 0.320 0.688 1.00 0.00 C ATOM 739 CD2 LEU A 72 1.938 -0.912 1.505 1.00 0.00 C ATOM 0 H LEU A 72 0.967 0.802 4.131 1.00 0.00 H new ATOM 0 HA LEU A 72 3.835 0.709 3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.330 1.743 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.873 2.429 1.805 1.00 0.00 H new ATOM 0 HG LEU A 72 1.972 0.754 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.103 -0.467 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.336 1.269 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.643 0.078 1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.107 -1.624 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.394 -1.288 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.866 -0.786 1.659 1.00 0.00 H new ATOM 751 N GLU A 73 4.366 3.260 3.921 1.00 0.00 N ATOM 752 CA GLU A 73 4.833 4.556 4.487 1.00 0.00 C ATOM 753 C GLU A 73 5.526 5.474 3.438 1.00 0.00 C ATOM 754 O GLU A 73 6.207 4.972 2.539 1.00 0.00 O ATOM 755 CB GLU A 73 5.802 4.222 5.635 1.00 0.00 C ATOM 756 CG GLU A 73 6.452 5.450 6.298 1.00 0.00 C ATOM 757 CD GLU A 73 6.732 5.275 7.802 1.00 0.00 C ATOM 758 OE1 GLU A 73 5.900 4.705 8.550 1.00 0.00 O ATOM 759 OE2 GLU A 73 7.767 5.781 8.290 1.00 0.00 O ATOM 0 H GLU A 73 5.049 2.824 3.301 1.00 0.00 H new ATOM 0 HA GLU A 73 3.969 5.121 4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.263 3.657 6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.589 3.572 5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.389 5.672 5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.801 6.313 6.158 1.00 0.00 H new ATOM 766 N PHE A 74 5.418 6.812 3.580 1.00 0.00 N ATOM 767 CA PHE A 74 6.207 7.793 2.793 1.00 0.00 C ATOM 768 C PHE A 74 6.464 9.152 3.508 1.00 0.00 C ATOM 769 O PHE A 74 5.655 9.566 4.344 1.00 0.00 O ATOM 770 CB PHE A 74 5.493 8.143 1.466 1.00 0.00 C ATOM 771 CG PHE A 74 6.438 8.519 0.333 1.00 0.00 C ATOM 772 CD1 PHE A 74 7.466 7.646 -0.039 1.00 0.00 C ATOM 773 CD2 PHE A 74 6.380 9.793 -0.249 1.00 0.00 C ATOM 774 CE1 PHE A 74 8.407 8.012 -1.020 1.00 0.00 C ATOM 775 CE2 PHE A 74 7.324 10.177 -1.224 1.00 0.00 C ATOM 776 CZ PHE A 74 8.335 9.282 -1.609 1.00 0.00 C ATOM 0 H PHE A 74 4.779 7.247 4.246 1.00 0.00 H new ATOM 0 HA PHE A 74 7.161 7.288 2.641 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.890 7.290 1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.807 8.971 1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.539 6.677 0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.607 10.485 0.051 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.180 7.318 -1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.269 11.157 -1.674 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.057 9.572 -2.358 1.00 0.00 H new ATOM 786 N PRO A 75 7.520 9.906 3.114 1.00 0.00 N ATOM 787 CA PRO A 75 7.747 11.311 3.479 1.00 0.00 C ATOM 788 C PRO A 75 6.677 12.341 3.064 1.00 0.00 C ATOM 789 O PRO A 75 6.758 13.474 3.533 1.00 0.00 O ATOM 790 CB PRO A 75 9.079 11.691 2.818 1.00 0.00 C ATOM 791 CG PRO A 75 9.853 10.383 2.817 1.00 0.00 C ATOM 792 CD PRO A 75 8.750 9.371 2.533 1.00 0.00 C ATOM 0 HA PRO A 75 7.725 11.358 4.568 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.932 12.073 1.808 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.600 12.467 3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.629 10.368 2.052 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.343 10.197 3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.635 9.217 1.460 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.993 8.402 2.970 1.00 0.00 H new ATOM 800 N SER A 76 5.698 12.012 2.201 1.00 0.00 N ATOM 801 CA SER A 76 4.698 12.977 1.702 1.00 0.00 C ATOM 802 C SER A 76 3.312 12.364 1.587 1.00 0.00 C ATOM 803 O SER A 76 3.138 11.363 0.892 1.00 0.00 O ATOM 804 CB SER A 76 5.037 13.433 0.296 1.00 0.00 C ATOM 805 OG SER A 76 6.305 14.041 0.208 1.00 0.00 O ATOM 0 H SER A 76 5.577 11.070 1.829 1.00 0.00 H new ATOM 0 HA SER A 76 4.710 13.796 2.422 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.003 12.576 -0.377 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.278 14.137 -0.045 1.00 0.00 H new ATOM 0 HG SER A 76 6.473 14.314 -0.718 1.00 0.00 H new ATOM 811 N GLU A 77 2.301 13.027 2.156 1.00 0.00 N ATOM 812 CA GLU A 77 0.896 12.613 2.025 1.00 0.00 C ATOM 813 C GLU A 77 0.369 12.507 0.591 1.00 0.00 C ATOM 814 O GLU A 77 -0.662 11.883 0.367 1.00 0.00 O ATOM 815 CB GLU A 77 -0.025 13.492 2.875 1.00 0.00 C ATOM 816 CG GLU A 77 0.007 14.984 2.528 1.00 0.00 C ATOM 817 CD GLU A 77 -0.850 15.809 3.515 1.00 0.00 C ATOM 818 OE1 GLU A 77 -0.925 15.445 4.714 1.00 0.00 O ATOM 819 OE2 GLU A 77 -1.455 16.825 3.095 1.00 0.00 O ATOM 0 H GLU A 77 2.431 13.866 2.721 1.00 0.00 H new ATOM 0 HA GLU A 77 0.883 11.591 2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.048 13.131 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.248 13.372 3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.036 15.342 2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.361 15.131 1.513 1.00 0.00 H new ATOM 826 N GLU A 78 1.089 13.048 -0.387 1.00 0.00 N ATOM 827 CA GLU A 78 0.836 12.826 -1.816 1.00 0.00 C ATOM 828 C GLU A 78 0.606 11.332 -2.113 1.00 0.00 C ATOM 829 O GLU A 78 -0.415 10.956 -2.696 1.00 0.00 O ATOM 830 CB GLU A 78 2.048 13.338 -2.624 1.00 0.00 C ATOM 831 CG GLU A 78 2.340 14.837 -2.457 1.00 0.00 C ATOM 832 CD GLU A 78 3.640 15.224 -3.189 1.00 0.00 C ATOM 833 OE1 GLU A 78 3.607 15.439 -4.425 1.00 0.00 O ATOM 834 OE2 GLU A 78 4.702 15.327 -2.529 1.00 0.00 O ATOM 0 H GLU A 78 1.881 13.666 -0.210 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.065 13.369 -2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.932 12.774 -2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.878 13.130 -3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.508 15.421 -2.850 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.427 15.080 -1.398 1.00 0.00 H new ATOM 841 N ILE A 79 1.526 10.475 -1.656 1.00 0.00 N ATOM 842 CA ILE A 79 1.539 9.022 -1.906 1.00 0.00 C ATOM 843 C ILE A 79 0.464 8.296 -1.080 1.00 0.00 C ATOM 844 O ILE A 79 -0.176 7.352 -1.554 1.00 0.00 O ATOM 845 CB ILE A 79 2.965 8.476 -1.647 1.00 0.00 C ATOM 846 CG1 ILE A 79 3.984 9.290 -2.488 1.00 0.00 C ATOM 847 CG2 ILE A 79 3.066 6.955 -1.873 1.00 0.00 C ATOM 848 CD1 ILE A 79 5.152 8.539 -3.140 1.00 0.00 C ATOM 0 H ILE A 79 2.311 10.781 -1.081 1.00 0.00 H new ATOM 0 HA ILE A 79 1.285 8.830 -2.948 1.00 0.00 H new ATOM 0 HB ILE A 79 3.209 8.611 -0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.432 9.798 -3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.404 10.064 -1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.086 6.625 -1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.383 6.441 -1.197 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.800 6.722 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.774 9.243 -3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.750 8.055 -2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.763 7.785 -3.824 1.00 0.00 H new ATOM 860 N LEU A 80 0.213 8.794 0.136 1.00 0.00 N ATOM 861 CA LEU A 80 -0.873 8.331 1.000 1.00 0.00 C ATOM 862 C LEU A 80 -2.222 8.495 0.280 1.00 0.00 C ATOM 863 O LEU A 80 -2.984 7.541 0.131 1.00 0.00 O ATOM 864 CB LEU A 80 -0.830 9.126 2.321 1.00 0.00 C ATOM 865 CG LEU A 80 -2.136 9.359 3.113 1.00 0.00 C ATOM 866 CD1 LEU A 80 -2.763 8.089 3.654 1.00 0.00 C ATOM 867 CD2 LEU A 80 -1.873 10.235 4.340 1.00 0.00 C ATOM 0 H LEU A 80 0.769 9.542 0.552 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.752 7.272 1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.132 8.617 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.404 10.104 2.099 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.809 9.823 2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.675 8.336 4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.003 7.421 2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.062 7.595 4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.805 10.388 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.149 9.743 4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.477 11.199 4.021 1.00 0.00 H new ATOM 879 N VAL A 81 -2.494 9.716 -0.192 1.00 0.00 N ATOM 880 CA VAL A 81 -3.784 10.134 -0.763 1.00 0.00 C ATOM 881 C VAL A 81 -4.011 9.461 -2.086 1.00 0.00 C ATOM 882 O VAL A 81 -5.126 9.023 -2.370 1.00 0.00 O ATOM 883 CB VAL A 81 -3.849 11.668 -0.924 1.00 0.00 C ATOM 884 CG1 VAL A 81 -5.092 12.159 -1.674 1.00 0.00 C ATOM 885 CG2 VAL A 81 -3.866 12.359 0.440 1.00 0.00 C ATOM 0 H VAL A 81 -1.803 10.466 -0.188 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.573 9.832 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.960 11.920 -1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.067 13.246 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.107 11.728 -2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.988 11.852 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.912 13.439 0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.738 12.029 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.960 12.102 0.989 1.00 0.00 H new ATOM 895 N GLU A 82 -2.937 9.307 -2.857 1.00 0.00 N ATOM 896 CA GLU A 82 -2.915 8.463 -4.011 1.00 0.00 C ATOM 897 C GLU A 82 -3.459 7.077 -3.634 1.00 0.00 C ATOM 898 O GLU A 82 -4.587 6.768 -3.991 1.00 0.00 O ATOM 899 CB GLU A 82 -1.451 8.393 -4.418 1.00 0.00 C ATOM 900 CG GLU A 82 -0.997 9.286 -5.561 1.00 0.00 C ATOM 901 CD GLU A 82 -1.878 9.268 -6.813 1.00 0.00 C ATOM 902 OE1 GLU A 82 -2.046 8.200 -7.447 1.00 0.00 O ATOM 903 OE2 GLU A 82 -2.418 10.335 -7.192 1.00 0.00 O ATOM 0 H GLU A 82 -2.051 9.781 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.532 8.836 -4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.847 8.633 -3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.226 7.361 -4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.940 10.311 -5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.013 8.993 -5.847 1.00 0.00 H new ATOM 910 N ALA A 83 -2.748 6.279 -2.829 1.00 0.00 N ATOM 911 CA ALA A 83 -3.198 4.926 -2.460 1.00 0.00 C ATOM 912 C ALA A 83 -4.652 4.880 -1.941 1.00 0.00 C ATOM 913 O ALA A 83 -5.424 4.030 -2.377 1.00 0.00 O ATOM 914 CB ALA A 83 -2.252 4.383 -1.394 1.00 0.00 C ATOM 0 H ALA A 83 -1.854 6.546 -2.417 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.180 4.314 -3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.567 3.380 -1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.238 4.345 -1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.274 5.036 -0.521 1.00 0.00 H new ATOM 920 N LEU A 84 -5.056 5.838 -1.106 1.00 0.00 N ATOM 921 CA LEU A 84 -6.420 5.957 -0.557 1.00 0.00 C ATOM 922 C LEU A 84 -7.467 6.165 -1.645 1.00 0.00 C ATOM 923 O LEU A 84 -8.612 5.746 -1.481 1.00 0.00 O ATOM 924 CB LEU A 84 -6.553 7.117 0.448 1.00 0.00 C ATOM 925 CG LEU A 84 -5.758 7.093 1.755 1.00 0.00 C ATOM 926 CD1 LEU A 84 -6.595 7.696 2.874 1.00 0.00 C ATOM 927 CD2 LEU A 84 -5.339 5.696 2.159 1.00 0.00 C ATOM 0 H LEU A 84 -4.432 6.576 -0.780 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.597 5.009 -0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.285 8.033 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.608 7.198 0.712 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.853 7.677 1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.027 7.678 3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.849 8.726 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.510 7.117 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.779 5.740 3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.225 5.076 2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.711 5.265 1.379 1.00 0.00 H new ATOM 939 N GLU A 85 -7.082 6.775 -2.762 1.00 0.00 N ATOM 940 CA GLU A 85 -7.933 6.885 -3.940 1.00 0.00 C ATOM 941 C GLU A 85 -7.655 5.831 -5.034 1.00 0.00 C ATOM 942 O GLU A 85 -8.431 5.742 -5.990 1.00 0.00 O ATOM 943 CB GLU A 85 -7.761 8.276 -4.568 1.00 0.00 C ATOM 944 CG GLU A 85 -8.195 9.453 -3.688 1.00 0.00 C ATOM 945 CD GLU A 85 -7.924 10.817 -4.365 1.00 0.00 C ATOM 946 OE1 GLU A 85 -7.600 10.869 -5.588 1.00 0.00 O ATOM 947 OE2 GLU A 85 -8.082 11.863 -3.696 1.00 0.00 O ATOM 0 H GLU A 85 -6.166 7.209 -2.875 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.948 6.714 -3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.712 8.409 -4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.330 8.310 -5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.258 9.365 -3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.664 9.409 -2.737 1.00 0.00 H new ATOM 954 N ARG A 86 -6.572 5.038 -4.947 1.00 0.00 N ATOM 955 CA ARG A 86 -6.057 4.191 -6.036 1.00 0.00 C ATOM 956 C ARG A 86 -6.226 2.705 -5.740 1.00 0.00 C ATOM 957 O ARG A 86 -6.408 1.926 -6.665 1.00 0.00 O ATOM 958 CB ARG A 86 -4.577 4.585 -6.269 1.00 0.00 C ATOM 959 CG ARG A 86 -4.323 5.549 -7.445 1.00 0.00 C ATOM 960 CD ARG A 86 -5.120 6.835 -7.170 1.00 0.00 C ATOM 961 NE ARG A 86 -4.831 8.028 -7.980 1.00 0.00 N ATOM 962 CZ ARG A 86 -5.602 9.091 -7.803 1.00 0.00 C ATOM 963 NH1 ARG A 86 -6.897 9.012 -7.690 1.00 0.00 N ATOM 964 NH2 ARG A 86 -5.103 10.274 -7.642 1.00 0.00 N ATOM 0 H ARG A 86 -6.017 4.967 -4.094 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.632 4.360 -6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.194 5.043 -5.357 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.999 3.676 -6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.260 5.770 -7.537 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.637 5.097 -8.386 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.178 6.601 -7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.969 7.101 -6.124 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.065 8.037 -8.653 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.359 8.104 -7.737 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.450 9.859 -7.555 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.092 10.406 -7.649 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.721 11.074 -7.508 1.00 0.00 H new ATOM 978 N LEU A 87 -6.216 2.327 -4.454 1.00 0.00 N ATOM 979 CA LEU A 87 -6.242 0.969 -3.947 1.00 0.00 C ATOM 980 C LEU A 87 -7.396 0.730 -2.948 1.00 0.00 C ATOM 981 O LEU A 87 -7.502 -0.345 -2.360 1.00 0.00 O ATOM 982 CB LEU A 87 -4.873 0.673 -3.301 1.00 0.00 C ATOM 983 CG LEU A 87 -3.678 0.437 -4.228 1.00 0.00 C ATOM 984 CD1 LEU A 87 -3.262 1.610 -5.072 1.00 0.00 C ATOM 985 CD2 LEU A 87 -2.467 -0.080 -3.449 1.00 0.00 C ATOM 0 H LEU A 87 -6.188 3.014 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.426 0.286 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.626 1.507 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.985 -0.208 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.041 -0.316 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.408 1.330 -5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.091 1.908 -5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.986 2.443 -4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.634 -0.238 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.181 0.652 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.722 -1.022 -2.964 1.00 0.00 H new ATOM 997 N ASN A 88 -8.281 1.704 -2.709 1.00 0.00 N ATOM 998 CA ASN A 88 -9.415 1.519 -1.803 1.00 0.00 C ATOM 999 C ASN A 88 -10.484 0.573 -2.389 1.00 0.00 C ATOM 1000 O ASN A 88 -11.341 0.981 -3.180 1.00 0.00 O ATOM 1001 CB ASN A 88 -9.957 2.873 -1.335 1.00 0.00 C ATOM 1002 CG ASN A 88 -11.146 2.716 -0.399 1.00 0.00 C ATOM 1003 OD1 ASN A 88 -12.298 2.872 -0.775 1.00 0.00 O ATOM 1004 ND2 ASN A 88 -10.912 2.364 0.837 1.00 0.00 N ATOM 0 H ASN A 88 -8.231 2.630 -3.133 1.00 0.00 H new ATOM 0 HA ASN A 88 -9.064 1.006 -0.908 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.166 3.425 -0.827 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.253 3.465 -2.201 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.689 2.221 1.482 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.952 2.232 1.157 1.00 0.00 H new ATOM 1011 N ASN A 89 -10.408 -0.696 -1.978 1.00 0.00 N ATOM 1012 CA ASN A 89 -11.317 -1.794 -2.310 1.00 0.00 C ATOM 1013 C ASN A 89 -11.213 -2.167 -3.802 1.00 0.00 C ATOM 1014 O ASN A 89 -12.172 -2.089 -4.575 1.00 0.00 O ATOM 1015 CB ASN A 89 -12.703 -1.536 -1.700 1.00 0.00 C ATOM 1016 CG ASN A 89 -13.597 -2.763 -1.714 1.00 0.00 C ATOM 1017 OD1 ASN A 89 -14.480 -2.926 -2.547 1.00 0.00 O ATOM 1018 ND2 ASN A 89 -13.405 -3.661 -0.775 1.00 0.00 N ATOM 0 H ASN A 89 -9.656 -1.003 -1.361 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.021 -2.729 -1.834 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -12.583 -1.193 -0.672 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -13.191 -0.731 -2.250 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.991 -4.495 -0.739 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -12.669 -3.525 -0.082 1.00 0.00 H new ATOM 1025 N ILE A 90 -9.988 -2.543 -4.191 1.00 0.00 N ATOM 1026 CA ILE A 90 -9.559 -2.914 -5.545 1.00 0.00 C ATOM 1027 C ILE A 90 -9.218 -4.390 -5.610 1.00 0.00 C ATOM 1028 O ILE A 90 -8.731 -4.969 -4.644 1.00 0.00 O ATOM 1029 CB ILE A 90 -8.348 -2.065 -6.009 1.00 0.00 C ATOM 1030 CG1 ILE A 90 -7.076 -2.326 -5.188 1.00 0.00 C ATOM 1031 CG2 ILE A 90 -8.763 -0.588 -6.044 1.00 0.00 C ATOM 1032 CD1 ILE A 90 -5.811 -2.074 -5.991 1.00 0.00 C ATOM 0 H ILE A 90 -9.219 -2.600 -3.523 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.390 -2.713 -6.221 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.070 -2.370 -7.018 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.078 -1.686 -4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.080 -3.357 -4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.919 0.020 -6.369 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.592 -0.459 -6.740 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.074 -0.274 -5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.939 -2.272 -5.368 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.794 -2.733 -6.859 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.792 -1.036 -6.323 1.00 0.00 H new ATOM 1044 N GLU A 91 -9.435 -5.001 -6.766 1.00 0.00 N ATOM 1045 CA GLU A 91 -9.034 -6.375 -7.009 1.00 0.00 C ATOM 1046 C GLU A 91 -7.557 -6.469 -7.431 1.00 0.00 C ATOM 1047 O GLU A 91 -7.096 -5.898 -8.418 1.00 0.00 O ATOM 1048 CB GLU A 91 -10.015 -6.993 -7.996 1.00 0.00 C ATOM 1049 CG GLU A 91 -9.692 -8.417 -8.440 1.00 0.00 C ATOM 1050 CD GLU A 91 -9.187 -8.499 -9.885 1.00 0.00 C ATOM 1051 OE1 GLU A 91 -10.009 -8.400 -10.832 1.00 0.00 O ATOM 1052 OE2 GLU A 91 -7.967 -8.698 -10.078 1.00 0.00 O ATOM 0 H GLU A 91 -9.894 -4.556 -7.561 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.082 -6.959 -6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.008 -6.988 -7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.063 -6.357 -8.880 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.938 -8.836 -7.774 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.585 -9.034 -8.338 1.00 0.00 H new ATOM 1059 N PHE A 92 -6.828 -7.190 -6.590 1.00 0.00 N ATOM 1060 CA PHE A 92 -5.392 -7.450 -6.605 1.00 0.00 C ATOM 1061 C PHE A 92 -5.067 -8.776 -7.307 1.00 0.00 C ATOM 1062 O PHE A 92 -4.972 -9.815 -6.650 1.00 0.00 O ATOM 1063 CB PHE A 92 -4.948 -7.465 -5.133 1.00 0.00 C ATOM 1064 CG PHE A 92 -3.499 -7.753 -4.747 1.00 0.00 C ATOM 1065 CD1 PHE A 92 -2.482 -8.075 -5.680 1.00 0.00 C ATOM 1066 CD2 PHE A 92 -3.171 -7.691 -3.378 1.00 0.00 C ATOM 1067 CE1 PHE A 92 -1.169 -8.320 -5.238 1.00 0.00 C ATOM 1068 CE2 PHE A 92 -1.856 -7.913 -2.947 1.00 0.00 C ATOM 1069 CZ PHE A 92 -0.853 -8.214 -3.879 1.00 0.00 C ATOM 0 H PHE A 92 -7.272 -7.656 -5.799 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.859 -6.683 -7.168 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.201 -6.491 -4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.566 -8.203 -4.622 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.715 -8.132 -6.733 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.941 -7.470 -2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.403 -8.591 -5.950 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.615 -7.852 -1.896 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.164 -8.364 -3.548 1.00 0.00 H new ATOM 1079 N ARG A 93 -4.887 -8.740 -8.629 1.00 0.00 N ATOM 1080 CA ARG A 93 -4.551 -9.890 -9.502 1.00 0.00 C ATOM 1081 C ARG A 93 -5.383 -11.175 -9.258 1.00 0.00 C ATOM 1082 O ARG A 93 -4.929 -12.279 -9.569 1.00 0.00 O ATOM 1083 CB ARG A 93 -3.033 -10.168 -9.437 1.00 0.00 C ATOM 1084 CG ARG A 93 -2.148 -9.027 -9.965 1.00 0.00 C ATOM 1085 CD ARG A 93 -0.683 -9.469 -9.865 1.00 0.00 C ATOM 1086 NE ARG A 93 0.258 -8.499 -10.462 1.00 0.00 N ATOM 1087 CZ ARG A 93 1.570 -8.513 -10.288 1.00 0.00 C ATOM 1088 NH1 ARG A 93 2.165 -9.385 -9.521 1.00 0.00 N ATOM 1089 NH2 ARG A 93 2.363 -7.658 -10.856 1.00 0.00 N ATOM 0 H ARG A 93 -4.974 -7.870 -9.155 1.00 0.00 H new ATOM 0 HA ARG A 93 -4.832 -9.591 -10.512 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -2.759 -10.373 -8.402 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.818 -11.071 -10.009 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.405 -8.794 -10.998 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.311 -8.119 -9.384 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.425 -9.617 -8.816 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.566 -10.432 -10.361 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.132 -7.764 -11.052 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.616 -10.090 -9.029 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.179 -9.362 -9.414 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.981 -6.936 -11.467 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.368 -7.708 -10.692 1.00 0.00 H new ATOM 1103 N GLY A 94 -6.577 -11.054 -8.671 1.00 0.00 N ATOM 1104 CA GLY A 94 -7.440 -12.168 -8.260 1.00 0.00 C ATOM 1105 C GLY A 94 -7.828 -12.202 -6.766 1.00 0.00 C ATOM 1106 O GLY A 94 -8.684 -13.015 -6.405 1.00 0.00 O ATOM 0 H GLY A 94 -6.986 -10.143 -8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.354 -12.132 -8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.937 -13.103 -8.507 1.00 0.00 H new ATOM 1110 N SER A 95 -7.270 -11.342 -5.903 1.00 0.00 N ATOM 1111 CA SER A 95 -7.732 -11.136 -4.528 1.00 0.00 C ATOM 1112 C SER A 95 -8.306 -9.722 -4.484 1.00 0.00 C ATOM 1113 O SER A 95 -8.533 -9.123 -5.521 1.00 0.00 O ATOM 1114 CB SER A 95 -6.571 -11.315 -3.539 1.00 0.00 C ATOM 1115 OG SER A 95 -6.006 -12.610 -3.687 1.00 0.00 O ATOM 0 H SER A 95 -6.469 -10.760 -6.148 1.00 0.00 H new ATOM 0 HA SER A 95 -8.489 -11.865 -4.239 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.811 -10.554 -3.716 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.927 -11.178 -2.518 1.00 0.00 H new ATOM 0 HG SER A 95 -5.785 -12.974 -2.804 1.00 0.00 H new ATOM 1121 N VAL A 96 -8.536 -9.121 -3.327 1.00 0.00 N ATOM 1122 CA VAL A 96 -8.857 -7.680 -3.249 1.00 0.00 C ATOM 1123 C VAL A 96 -8.235 -7.114 -1.976 1.00 0.00 C ATOM 1124 O VAL A 96 -8.101 -7.828 -0.979 1.00 0.00 O ATOM 1125 CB VAL A 96 -10.369 -7.336 -3.446 1.00 0.00 C ATOM 1126 CG1 VAL A 96 -11.287 -8.547 -3.580 1.00 0.00 C ATOM 1127 CG2 VAL A 96 -10.998 -6.320 -2.482 1.00 0.00 C ATOM 0 H VAL A 96 -8.510 -9.596 -2.424 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.409 -7.178 -4.107 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.305 -6.827 -4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.315 -8.211 -3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.984 -9.139 -4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.218 -9.157 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.048 -6.179 -2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.919 -6.691 -1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.474 -5.368 -2.564 1.00 0.00 H new ATOM 1137 N ILE A 97 -7.870 -5.836 -1.985 1.00 0.00 N ATOM 1138 CA ILE A 97 -7.405 -5.071 -0.826 1.00 0.00 C ATOM 1139 C ILE A 97 -8.200 -3.780 -0.716 1.00 0.00 C ATOM 1140 O ILE A 97 -8.637 -3.193 -1.698 1.00 0.00 O ATOM 1141 CB ILE A 97 -5.899 -4.730 -0.875 1.00 0.00 C ATOM 1142 CG1 ILE A 97 -5.470 -4.271 -2.280 1.00 0.00 C ATOM 1143 CG2 ILE A 97 -5.044 -5.889 -0.344 1.00 0.00 C ATOM 1144 CD1 ILE A 97 -4.053 -3.697 -2.333 1.00 0.00 C ATOM 0 H ILE A 97 -7.890 -5.277 -2.838 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.561 -5.707 0.046 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.726 -3.886 -0.208 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.536 -5.116 -2.965 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.172 -3.517 -2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.990 -5.616 -0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.317 -6.099 0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.217 -6.777 -0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.821 -3.395 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.986 -2.831 -1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.341 -4.455 -2.008 1.00 0.00 H new ATOM 1156 N THR A 98 -8.324 -3.324 0.513 1.00 0.00 N ATOM 1157 CA THR A 98 -8.943 -2.078 0.939 1.00 0.00 C ATOM 1158 C THR A 98 -7.924 -1.327 1.772 1.00 0.00 C ATOM 1159 O THR A 98 -7.292 -1.898 2.661 1.00 0.00 O ATOM 1160 CB THR A 98 -10.186 -2.349 1.777 1.00 0.00 C ATOM 1161 OG1 THR A 98 -11.094 -3.162 1.061 1.00 0.00 O ATOM 1162 CG2 THR A 98 -10.932 -1.077 2.160 1.00 0.00 C ATOM 0 H THR A 98 -7.967 -3.856 1.307 1.00 0.00 H new ATOM 0 HA THR A 98 -9.247 -1.497 0.068 1.00 0.00 H new ATOM 0 HB THR A 98 -9.831 -2.841 2.682 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.809 -3.461 1.661 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.808 -1.334 2.756 1.00 0.00 H new ATOM 0 HG22 THR A 98 -10.275 -0.431 2.741 1.00 0.00 H new ATOM 0 HG23 THR A 98 -11.248 -0.555 1.257 1.00 0.00 H new ATOM 1170 N VAL A 99 -7.767 -0.045 1.467 1.00 0.00 N ATOM 1171 CA VAL A 99 -6.694 0.770 2.028 1.00 0.00 C ATOM 1172 C VAL A 99 -7.237 2.024 2.676 1.00 0.00 C ATOM 1173 O VAL A 99 -8.248 2.587 2.238 1.00 0.00 O ATOM 1174 CB VAL A 99 -5.601 1.103 1.001 1.00 0.00 C ATOM 1175 CG1 VAL A 99 -5.162 -0.123 0.212 1.00 0.00 C ATOM 1176 CG2 VAL A 99 -6.103 2.126 0.009 1.00 0.00 C ATOM 0 H VAL A 99 -8.378 0.460 0.825 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.220 0.166 2.802 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.754 1.489 1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.388 0.161 -0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.766 -0.874 0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.016 -0.536 -0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.316 2.351 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.972 1.729 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.383 3.038 0.537 1.00 0.00 H new ATOM 1186 N GLU A 100 -6.532 2.453 3.706 1.00 0.00 N ATOM 1187 CA GLU A 100 -6.871 3.641 4.508 1.00 0.00 C ATOM 1188 C GLU A 100 -5.712 4.028 5.422 1.00 0.00 C ATOM 1189 O GLU A 100 -4.739 3.298 5.562 1.00 0.00 O ATOM 1190 CB GLU A 100 -8.160 3.399 5.321 1.00 0.00 C ATOM 1191 CG GLU A 100 -8.105 2.261 6.359 1.00 0.00 C ATOM 1192 CD GLU A 100 -8.490 0.902 5.754 1.00 0.00 C ATOM 1193 OE1 GLU A 100 -9.695 0.558 5.707 1.00 0.00 O ATOM 1194 OE2 GLU A 100 -7.606 0.114 5.364 1.00 0.00 O ATOM 0 H GLU A 100 -5.685 1.982 4.026 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.052 4.473 3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.417 4.323 5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.971 3.188 4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.099 2.199 6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.778 2.492 7.185 1.00 0.00 H new ATOM 1201 N ARG A 101 -5.802 5.196 6.052 1.00 0.00 N ATOM 1202 CA ARG A 101 -4.824 5.685 7.028 1.00 0.00 C ATOM 1203 C ARG A 101 -4.765 4.825 8.303 1.00 0.00 C ATOM 1204 O ARG A 101 -5.792 4.374 8.809 1.00 0.00 O ATOM 1205 CB ARG A 101 -5.145 7.159 7.282 1.00 0.00 C ATOM 1206 CG ARG A 101 -6.527 7.411 7.919 1.00 0.00 C ATOM 1207 CD ARG A 101 -7.050 8.784 7.480 1.00 0.00 C ATOM 1208 NE ARG A 101 -8.331 9.142 8.123 1.00 0.00 N ATOM 1209 CZ ARG A 101 -8.501 9.745 9.287 1.00 0.00 C ATOM 1210 NH1 ARG A 101 -7.514 10.021 10.081 1.00 0.00 N ATOM 1211 NH2 ARG A 101 -9.693 10.094 9.678 1.00 0.00 N ATOM 0 H ARG A 101 -6.573 5.846 5.897 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.812 5.599 6.632 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.377 7.578 7.932 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -5.091 7.698 6.336 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -7.226 6.631 7.618 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.451 7.369 9.006 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.305 9.544 7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -7.178 8.790 6.398 1.00 0.00 H new ATOM 0 HE ARG A 101 -9.179 8.897 7.612 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -6.561 9.772 9.816 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -7.690 10.488 10.971 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -10.501 9.902 9.085 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -9.819 10.559 10.577 1.00 0.00 H new ATOM 1225 N ASP A 102 -3.553 4.631 8.827 1.00 0.00 N ATOM 1226 CA ASP A 102 -3.210 3.677 9.907 1.00 0.00 C ATOM 1227 C ASP A 102 -2.573 4.332 11.150 1.00 0.00 C ATOM 1228 O ASP A 102 -2.643 3.763 12.244 1.00 0.00 O ATOM 1229 CB ASP A 102 -2.242 2.628 9.340 1.00 0.00 C ATOM 1230 CG ASP A 102 -2.023 1.410 10.251 1.00 0.00 C ATOM 1231 OD1 ASP A 102 -2.949 0.590 10.414 1.00 0.00 O ATOM 1232 OD2 ASP A 102 -0.888 1.194 10.728 1.00 0.00 O ATOM 0 H ASP A 102 -2.740 5.154 8.502 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.146 3.232 10.244 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -2.621 2.284 8.378 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.279 3.104 9.152 1.00 0.00 H new ATOM 1237 N ASP A 103 -1.983 5.529 11.018 1.00 0.00 N ATOM 1238 CA ASP A 103 -1.315 6.266 12.116 1.00 0.00 C ATOM 1239 C ASP A 103 -1.647 7.777 12.167 1.00 0.00 C ATOM 1240 O ASP A 103 -1.174 8.476 13.072 1.00 0.00 O ATOM 1241 CB ASP A 103 0.211 6.045 12.039 1.00 0.00 C ATOM 1242 CG ASP A 103 0.923 6.909 10.983 1.00 0.00 C ATOM 1243 OD1 ASP A 103 0.261 7.369 10.028 1.00 0.00 O ATOM 1244 OD2 ASP A 103 2.160 7.098 11.095 1.00 0.00 O ATOM 0 H ASP A 103 -1.953 6.028 10.129 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.711 5.855 13.045 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.646 6.254 13.016 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.404 4.994 11.822 1.00 0.00 H new ATOM 1249 N ASN A 104 -2.455 8.282 11.224 1.00 0.00 N ATOM 1250 CA ASN A 104 -2.777 9.705 11.034 1.00 0.00 C ATOM 1251 C ASN A 104 -4.272 9.929 10.803 1.00 0.00 C ATOM 1252 O ASN A 104 -4.830 10.820 11.479 1.00 0.00 O ATOM 1253 CB ASN A 104 -1.901 10.296 9.897 1.00 0.00 C ATOM 1254 CG ASN A 104 -1.936 11.817 9.743 1.00 0.00 C ATOM 1255 OD1 ASN A 104 -1.092 12.403 9.078 1.00 0.00 O ATOM 1256 ND2 ASN A 104 -2.891 12.525 10.303 1.00 0.00 N ATOM 0 H ASN A 104 -2.923 7.684 10.543 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.540 10.241 11.953 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -0.868 9.992 10.066 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.215 9.848 8.954 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -2.916 13.537 10.178 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.607 12.063 10.863 1.00 0.00 H new TER 1263 ASN A 104