USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 521 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 Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc=-0.00725 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0.0647 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 146:sc= -0.485 (180deg=-2.1!) USER MOD Single : A 111 THR OG1 : rot 87:sc= 0.85 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 ASN : amide:sc= -3.92 K(o=-3.9,f=-19!) USER MOD Single : A 139 TYR OH : rot 30:sc= -0.484 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N ALA A 81 175.546 15.144 -7.287 1.00 0.00 N ATOM 24 CA ALA A 81 174.504 14.649 -6.339 1.00 0.00 C ATOM 25 C ALA A 81 174.970 14.838 -4.893 1.00 0.00 C ATOM 26 O ALA A 81 176.149 14.990 -4.633 1.00 0.00 O ATOM 27 CB ALA A 81 174.382 13.157 -6.656 1.00 0.00 C ATOM 0 HA ALA A 81 173.559 15.182 -6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 81 173.634 12.706 -6.004 1.00 0.00 H new ATOM 0 HB2 ALA A 81 174.081 13.029 -7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 81 175.344 12.671 -6.495 1.00 0.00 H new ATOM 33 N LYS A 82 174.057 14.847 -3.954 1.00 0.00 N ATOM 34 CA LYS A 82 174.449 15.044 -2.529 1.00 0.00 C ATOM 35 C LYS A 82 174.265 13.759 -1.723 1.00 0.00 C ATOM 36 O LYS A 82 173.570 12.844 -2.123 1.00 0.00 O ATOM 37 CB LYS A 82 173.517 16.140 -2.012 1.00 0.00 C ATOM 38 CG LYS A 82 173.890 17.475 -2.661 1.00 0.00 C ATOM 39 CD LYS A 82 173.055 18.597 -2.041 1.00 0.00 C ATOM 40 CE LYS A 82 171.644 18.572 -2.633 1.00 0.00 C ATOM 41 NZ LYS A 82 170.915 19.667 -1.932 1.00 0.00 N ATOM 0 H LYS A 82 173.057 14.726 -4.115 1.00 0.00 H new ATOM 0 HA LYS A 82 175.500 15.315 -2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 82 172.481 15.889 -2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 82 173.595 16.216 -0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 82 174.952 17.676 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 82 173.716 17.430 -3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 82 173.009 18.475 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 82 173.524 19.562 -2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 82 171.664 18.737 -3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 82 171.163 17.608 -2.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 169.937 19.714 -2.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 170.906 19.479 -0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 171.392 20.573 -2.113 1.00 0.00 H new ATOM 55 N THR A 83 174.905 13.700 -0.581 1.00 0.00 N ATOM 56 CA THR A 83 174.804 12.487 0.295 1.00 0.00 C ATOM 57 C THR A 83 173.328 12.126 0.512 1.00 0.00 C ATOM 58 O THR A 83 172.971 10.976 0.671 1.00 0.00 O ATOM 59 CB THR A 83 175.466 12.889 1.616 1.00 0.00 C ATOM 60 OG1 THR A 83 176.758 13.417 1.353 1.00 0.00 O ATOM 61 CG2 THR A 83 175.590 11.668 2.534 1.00 0.00 C ATOM 0 H THR A 83 175.498 14.445 -0.214 1.00 0.00 H new ATOM 0 HA THR A 83 175.287 11.614 -0.144 1.00 0.00 H new ATOM 0 HB THR A 83 174.853 13.644 2.109 1.00 0.00 H new ATOM 0 HG1 THR A 83 177.183 13.677 2.197 1.00 0.00 H new ATOM 0 HG21 THR A 83 176.062 11.964 3.471 1.00 0.00 H new ATOM 0 HG22 THR A 83 174.598 11.264 2.739 1.00 0.00 H new ATOM 0 HG23 THR A 83 176.198 10.906 2.046 1.00 0.00 H new ATOM 69 N GLU A 84 172.477 13.119 0.508 1.00 0.00 N ATOM 70 CA GLU A 84 171.009 12.883 0.703 1.00 0.00 C ATOM 71 C GLU A 84 170.491 11.797 -0.248 1.00 0.00 C ATOM 72 O GLU A 84 169.643 11.001 0.110 1.00 0.00 O ATOM 73 CB GLU A 84 170.357 14.224 0.361 1.00 0.00 C ATOM 74 CG GLU A 84 170.693 15.249 1.447 1.00 0.00 C ATOM 75 CD GLU A 84 170.042 16.590 1.104 1.00 0.00 C ATOM 76 OE1 GLU A 84 170.623 17.326 0.323 1.00 0.00 O ATOM 77 OE2 GLU A 84 168.973 16.858 1.627 1.00 0.00 O ATOM 0 H GLU A 84 172.737 14.097 0.377 1.00 0.00 H new ATOM 0 HA GLU A 84 170.786 12.544 1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 84 170.712 14.576 -0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 84 169.277 14.105 0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 84 170.338 14.898 2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 84 171.774 15.368 1.528 1.00 0.00 H new ATOM 84 N ASP A 85 171.000 11.761 -1.453 1.00 0.00 N ATOM 85 CA ASP A 85 170.545 10.724 -2.432 1.00 0.00 C ATOM 86 C ASP A 85 170.829 9.325 -1.882 1.00 0.00 C ATOM 87 O ASP A 85 169.966 8.467 -1.862 1.00 0.00 O ATOM 88 CB ASP A 85 171.363 10.980 -3.700 1.00 0.00 C ATOM 89 CG ASP A 85 170.827 10.112 -4.840 1.00 0.00 C ATOM 90 OD1 ASP A 85 170.562 8.947 -4.596 1.00 0.00 O ATOM 91 OD2 ASP A 85 170.686 10.629 -5.936 1.00 0.00 O ATOM 0 H ASP A 85 171.711 12.404 -1.803 1.00 0.00 H new ATOM 0 HA ASP A 85 169.474 10.781 -2.626 1.00 0.00 H new ATOM 0 HB2 ASP A 85 171.307 12.033 -3.974 1.00 0.00 H new ATOM 0 HB3 ASP A 85 172.414 10.753 -3.519 1.00 0.00 H new ATOM 96 N PHE A 86 172.037 9.094 -1.436 1.00 0.00 N ATOM 97 CA PHE A 86 172.396 7.755 -0.881 1.00 0.00 C ATOM 98 C PHE A 86 171.826 7.574 0.533 1.00 0.00 C ATOM 99 O PHE A 86 171.384 6.499 0.893 1.00 0.00 O ATOM 100 CB PHE A 86 173.929 7.729 -0.850 1.00 0.00 C ATOM 101 CG PHE A 86 174.451 7.107 -2.126 1.00 0.00 C ATOM 102 CD1 PHE A 86 174.014 5.835 -2.512 1.00 0.00 C ATOM 103 CD2 PHE A 86 175.369 7.803 -2.925 1.00 0.00 C ATOM 104 CE1 PHE A 86 174.489 5.257 -3.694 1.00 0.00 C ATOM 105 CE2 PHE A 86 175.844 7.223 -4.110 1.00 0.00 C ATOM 106 CZ PHE A 86 175.404 5.951 -4.494 1.00 0.00 C ATOM 0 H PHE A 86 172.793 9.778 -1.433 1.00 0.00 H new ATOM 0 HA PHE A 86 171.984 6.947 -1.485 1.00 0.00 H new ATOM 0 HB2 PHE A 86 174.318 8.741 -0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 86 174.276 7.160 0.012 1.00 0.00 H new ATOM 0 HD1 PHE A 86 173.308 5.298 -1.896 1.00 0.00 H new ATOM 0 HD2 PHE A 86 175.710 8.784 -2.628 1.00 0.00 H new ATOM 0 HE1 PHE A 86 174.150 4.275 -3.989 1.00 0.00 H new ATOM 0 HE2 PHE A 86 176.550 7.758 -4.727 1.00 0.00 H new ATOM 0 HZ PHE A 86 175.770 5.505 -5.407 1.00 0.00 H new ATOM 116 N VAL A 87 171.859 8.603 1.346 1.00 0.00 N ATOM 117 CA VAL A 87 171.346 8.471 2.750 1.00 0.00 C ATOM 118 C VAL A 87 169.868 8.055 2.750 1.00 0.00 C ATOM 119 O VAL A 87 169.484 7.099 3.396 1.00 0.00 O ATOM 120 CB VAL A 87 171.509 9.870 3.365 1.00 0.00 C ATOM 121 CG1 VAL A 87 171.002 9.867 4.810 1.00 0.00 C ATOM 122 CG2 VAL A 87 172.991 10.266 3.351 1.00 0.00 C ATOM 0 H VAL A 87 172.217 9.526 1.101 1.00 0.00 H new ATOM 0 HA VAL A 87 171.886 7.708 3.311 1.00 0.00 H new ATOM 0 HB VAL A 87 170.930 10.585 2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 87 171.121 10.862 5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 87 169.948 9.589 4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 87 171.576 9.148 5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 87 173.107 11.258 3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 87 173.566 9.545 3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 87 173.355 10.277 2.324 1.00 0.00 H new ATOM 132 N LYS A 88 169.040 8.784 2.045 1.00 0.00 N ATOM 133 CA LYS A 88 167.579 8.458 2.013 1.00 0.00 C ATOM 134 C LYS A 88 167.345 7.044 1.473 1.00 0.00 C ATOM 135 O LYS A 88 166.418 6.366 1.865 1.00 0.00 O ATOM 136 CB LYS A 88 166.956 9.495 1.076 1.00 0.00 C ATOM 137 CG LYS A 88 165.431 9.373 1.121 1.00 0.00 C ATOM 138 CD LYS A 88 164.802 10.558 0.387 1.00 0.00 C ATOM 139 CE LYS A 88 165.072 10.433 -1.114 1.00 0.00 C ATOM 140 NZ LYS A 88 164.419 11.625 -1.723 1.00 0.00 N ATOM 0 H LYS A 88 169.313 9.594 1.488 1.00 0.00 H new ATOM 0 HA LYS A 88 167.140 8.487 3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 88 167.260 10.499 1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 88 167.314 9.342 0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 88 165.117 8.437 0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 88 165.088 9.349 2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 88 163.728 10.586 0.573 1.00 0.00 H new ATOM 0 HD3 LYS A 88 165.215 11.493 0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 88 166.142 10.419 -1.323 1.00 0.00 H new ATOM 0 HE3 LYS A 88 164.657 9.508 -1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 164.561 11.610 -2.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 163.400 11.608 -1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 164.839 12.491 -1.328 1.00 0.00 H new ATOM 154 N ALA A 89 168.173 6.607 0.564 1.00 0.00 N ATOM 155 CA ALA A 89 168.000 5.245 -0.030 1.00 0.00 C ATOM 156 C ALA A 89 168.139 4.140 1.022 1.00 0.00 C ATOM 157 O ALA A 89 167.291 3.272 1.120 1.00 0.00 O ATOM 158 CB ALA A 89 169.109 5.121 -1.072 1.00 0.00 C ATOM 0 H ALA A 89 168.967 7.136 0.203 1.00 0.00 H new ATOM 0 HA ALA A 89 167.004 5.130 -0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 89 169.048 4.145 -1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 89 168.993 5.903 -1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 89 170.079 5.226 -0.586 1.00 0.00 H new ATOM 164 N PHE A 90 169.199 4.142 1.791 1.00 0.00 N ATOM 165 CA PHE A 90 169.383 3.064 2.814 1.00 0.00 C ATOM 166 C PHE A 90 168.487 3.291 4.037 1.00 0.00 C ATOM 167 O PHE A 90 167.757 2.412 4.452 1.00 0.00 O ATOM 168 CB PHE A 90 170.858 3.142 3.213 1.00 0.00 C ATOM 169 CG PHE A 90 171.672 2.251 2.307 1.00 0.00 C ATOM 170 CD1 PHE A 90 171.808 0.892 2.606 1.00 0.00 C ATOM 171 CD2 PHE A 90 172.291 2.783 1.167 1.00 0.00 C ATOM 172 CE1 PHE A 90 172.560 0.062 1.768 1.00 0.00 C ATOM 173 CE2 PHE A 90 173.042 1.953 0.329 1.00 0.00 C ATOM 174 CZ PHE A 90 173.177 0.592 0.629 1.00 0.00 C ATOM 0 H PHE A 90 169.942 4.839 1.756 1.00 0.00 H new ATOM 0 HA PHE A 90 169.110 2.087 2.415 1.00 0.00 H new ATOM 0 HB2 PHE A 90 171.211 4.171 3.142 1.00 0.00 H new ATOM 0 HB3 PHE A 90 170.982 2.834 4.251 1.00 0.00 H new ATOM 0 HD1 PHE A 90 171.332 0.483 3.485 1.00 0.00 H new ATOM 0 HD2 PHE A 90 172.188 3.833 0.936 1.00 0.00 H new ATOM 0 HE1 PHE A 90 172.664 -0.988 2.000 1.00 0.00 H new ATOM 0 HE2 PHE A 90 173.518 2.362 -0.550 1.00 0.00 H new ATOM 0 HZ PHE A 90 173.757 -0.049 -0.018 1.00 0.00 H new ATOM 184 N GLN A 91 168.583 4.444 4.647 1.00 0.00 N ATOM 185 CA GLN A 91 167.793 4.722 5.891 1.00 0.00 C ATOM 186 C GLN A 91 166.309 4.351 5.750 1.00 0.00 C ATOM 187 O GLN A 91 165.706 3.879 6.698 1.00 0.00 O ATOM 188 CB GLN A 91 167.938 6.227 6.126 1.00 0.00 C ATOM 189 CG GLN A 91 169.168 6.493 6.997 1.00 0.00 C ATOM 190 CD GLN A 91 168.891 7.675 7.928 1.00 0.00 C ATOM 191 OE1 GLN A 91 169.132 8.888 7.511 1.00 0.00 O flip ATOM 192 NE2 GLN A 91 168.450 7.494 9.045 1.00 0.00 N flip ATOM 0 H GLN A 91 169.178 5.212 4.337 1.00 0.00 H new ATOM 0 HA GLN A 91 168.165 4.121 6.720 1.00 0.00 H new ATOM 0 HB2 GLN A 91 168.035 6.747 5.173 1.00 0.00 H new ATOM 0 HB3 GLN A 91 167.044 6.617 6.612 1.00 0.00 H new ATOM 0 HG2 GLN A 91 169.411 5.606 7.582 1.00 0.00 H new ATOM 0 HG3 GLN A 91 170.032 6.707 6.368 1.00 0.00 H new ATOM 0 HE21 GLN A 91 168.261 6.546 9.371 1.00 0.00 H new ATOM 0 HE22 GLN A 91 168.268 8.290 9.657 1.00 0.00 H new ATOM 201 N VAL A 92 165.703 4.561 4.603 1.00 0.00 N ATOM 202 CA VAL A 92 164.250 4.211 4.466 1.00 0.00 C ATOM 203 C VAL A 92 164.052 2.706 4.722 1.00 0.00 C ATOM 204 O VAL A 92 163.081 2.298 5.329 1.00 0.00 O ATOM 205 CB VAL A 92 163.858 4.608 3.034 1.00 0.00 C ATOM 206 CG1 VAL A 92 162.435 4.131 2.720 1.00 0.00 C ATOM 207 CG2 VAL A 92 163.912 6.131 2.904 1.00 0.00 C ATOM 0 H VAL A 92 166.142 4.952 3.770 1.00 0.00 H new ATOM 0 HA VAL A 92 163.623 4.732 5.189 1.00 0.00 H new ATOM 0 HB VAL A 92 164.553 4.143 2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 92 162.171 4.419 1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 92 162.386 3.046 2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 92 161.735 4.588 3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 92 163.635 6.420 1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 92 163.217 6.582 3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 92 164.923 6.479 3.117 1.00 0.00 H new ATOM 217 N PHE A 93 164.982 1.890 4.288 1.00 0.00 N ATOM 218 CA PHE A 93 164.865 0.420 4.535 1.00 0.00 C ATOM 219 C PHE A 93 165.062 0.157 6.031 1.00 0.00 C ATOM 220 O PHE A 93 164.306 -0.583 6.632 1.00 0.00 O ATOM 221 CB PHE A 93 165.990 -0.222 3.721 1.00 0.00 C ATOM 222 CG PHE A 93 165.808 -1.721 3.706 1.00 0.00 C ATOM 223 CD1 PHE A 93 166.394 -2.506 4.706 1.00 0.00 C ATOM 224 CD2 PHE A 93 165.055 -2.325 2.693 1.00 0.00 C ATOM 225 CE1 PHE A 93 166.227 -3.896 4.692 1.00 0.00 C ATOM 226 CE2 PHE A 93 164.887 -3.715 2.680 1.00 0.00 C ATOM 227 CZ PHE A 93 165.472 -4.501 3.679 1.00 0.00 C ATOM 0 H PHE A 93 165.815 2.178 3.775 1.00 0.00 H new ATOM 0 HA PHE A 93 163.894 0.016 4.247 1.00 0.00 H new ATOM 0 HB2 PHE A 93 165.984 0.166 2.702 1.00 0.00 H new ATOM 0 HB3 PHE A 93 166.958 0.033 4.153 1.00 0.00 H new ATOM 0 HD1 PHE A 93 166.975 -2.040 5.488 1.00 0.00 H new ATOM 0 HD2 PHE A 93 164.603 -1.719 1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 93 166.680 -4.502 5.462 1.00 0.00 H new ATOM 0 HE2 PHE A 93 164.305 -4.181 1.898 1.00 0.00 H new ATOM 0 HZ PHE A 93 165.342 -5.573 3.669 1.00 0.00 H new ATOM 237 N ASP A 94 166.072 0.737 6.630 1.00 0.00 N ATOM 238 CA ASP A 94 166.322 0.505 8.091 1.00 0.00 C ATOM 239 C ASP A 94 165.145 1.010 8.932 1.00 0.00 C ATOM 240 O ASP A 94 165.174 2.106 9.461 1.00 0.00 O ATOM 241 CB ASP A 94 167.589 1.302 8.415 1.00 0.00 C ATOM 242 CG ASP A 94 168.798 0.636 7.754 1.00 0.00 C ATOM 243 OD1 ASP A 94 168.795 -0.579 7.642 1.00 0.00 O ATOM 244 OD2 ASP A 94 169.706 1.353 7.369 1.00 0.00 O ATOM 0 H ASP A 94 166.736 1.362 6.173 1.00 0.00 H new ATOM 0 HA ASP A 94 166.435 -0.555 8.316 1.00 0.00 H new ATOM 0 HB2 ASP A 94 167.487 2.327 8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 94 167.733 1.352 9.494 1.00 0.00 H new ATOM 249 N LYS A 95 164.110 0.218 9.052 1.00 0.00 N ATOM 250 CA LYS A 95 162.920 0.640 9.852 1.00 0.00 C ATOM 251 C LYS A 95 163.299 0.810 11.325 1.00 0.00 C ATOM 252 O LYS A 95 162.849 1.733 11.978 1.00 0.00 O ATOM 253 CB LYS A 95 161.902 -0.490 9.688 1.00 0.00 C ATOM 254 CG LYS A 95 161.366 -0.491 8.256 1.00 0.00 C ATOM 255 CD LYS A 95 160.367 0.654 8.083 1.00 0.00 C ATOM 256 CE LYS A 95 158.960 0.160 8.426 1.00 0.00 C ATOM 257 NZ LYS A 95 158.193 1.390 8.767 1.00 0.00 N ATOM 0 H LYS A 95 164.038 -0.707 8.628 1.00 0.00 H new ATOM 0 HA LYS A 95 162.522 1.597 9.515 1.00 0.00 H new ATOM 0 HB2 LYS A 95 162.368 -1.449 9.914 1.00 0.00 H new ATOM 0 HB3 LYS A 95 161.082 -0.360 10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 95 162.188 -0.380 7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 95 160.884 -1.444 8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 95 160.639 1.488 8.729 1.00 0.00 H new ATOM 0 HD3 LYS A 95 160.395 1.023 7.058 1.00 0.00 H new ATOM 0 HE2 LYS A 95 158.510 -0.365 7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 95 158.980 -0.538 9.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 157.216 1.133 9.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 158.641 1.865 9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 158.186 2.032 7.949 1.00 0.00 H new ATOM 271 N GLU A 96 164.118 -0.065 11.857 1.00 0.00 N ATOM 272 CA GLU A 96 164.517 0.056 13.293 1.00 0.00 C ATOM 273 C GLU A 96 165.803 0.885 13.432 1.00 0.00 C ATOM 274 O GLU A 96 166.438 0.877 14.469 1.00 0.00 O ATOM 275 CB GLU A 96 164.754 -1.381 13.764 1.00 0.00 C ATOM 276 CG GLU A 96 163.469 -2.198 13.595 1.00 0.00 C ATOM 277 CD GLU A 96 163.534 -3.443 14.482 1.00 0.00 C ATOM 278 OE1 GLU A 96 164.071 -4.441 14.031 1.00 0.00 O ATOM 279 OE2 GLU A 96 163.043 -3.376 15.598 1.00 0.00 O ATOM 0 H GLU A 96 164.526 -0.856 11.359 1.00 0.00 H new ATOM 0 HA GLU A 96 163.754 0.561 13.885 1.00 0.00 H new ATOM 0 HB2 GLU A 96 165.562 -1.834 13.190 1.00 0.00 H new ATOM 0 HB3 GLU A 96 165.064 -1.385 14.809 1.00 0.00 H new ATOM 0 HG2 GLU A 96 162.603 -1.593 13.863 1.00 0.00 H new ATOM 0 HG3 GLU A 96 163.345 -2.488 12.552 1.00 0.00 H new ATOM 286 N SER A 97 166.168 1.625 12.409 1.00 0.00 N ATOM 287 CA SER A 97 167.386 2.502 12.447 1.00 0.00 C ATOM 288 C SER A 97 168.584 1.885 13.187 1.00 0.00 C ATOM 289 O SER A 97 169.324 2.587 13.852 1.00 0.00 O ATOM 290 CB SER A 97 166.927 3.775 13.154 1.00 0.00 C ATOM 291 OG SER A 97 167.492 4.905 12.501 1.00 0.00 O ATOM 0 H SER A 97 165.658 1.658 11.526 1.00 0.00 H new ATOM 0 HA SER A 97 167.753 2.669 11.434 1.00 0.00 H new ATOM 0 HB2 SER A 97 165.839 3.840 13.141 1.00 0.00 H new ATOM 0 HB3 SER A 97 167.233 3.754 14.200 1.00 0.00 H new ATOM 0 HG SER A 97 167.198 5.724 12.952 1.00 0.00 H new ATOM 297 N THR A 98 168.791 0.591 13.080 1.00 0.00 N ATOM 298 CA THR A 98 169.956 -0.028 13.790 1.00 0.00 C ATOM 299 C THR A 98 171.258 0.540 13.220 1.00 0.00 C ATOM 300 O THR A 98 172.226 0.734 13.932 1.00 0.00 O ATOM 301 CB THR A 98 169.851 -1.530 13.514 1.00 0.00 C ATOM 302 OG1 THR A 98 169.908 -1.758 12.113 1.00 0.00 O ATOM 303 CG2 THR A 98 168.529 -2.064 14.068 1.00 0.00 C ATOM 0 H THR A 98 168.213 -0.053 12.540 1.00 0.00 H new ATOM 0 HA THR A 98 169.951 0.177 14.860 1.00 0.00 H new ATOM 0 HB THR A 98 170.679 -2.047 14.000 1.00 0.00 H new ATOM 0 HG1 THR A 98 169.843 -2.719 11.935 1.00 0.00 H new ATOM 0 HG21 THR A 98 168.457 -3.133 13.870 1.00 0.00 H new ATOM 0 HG22 THR A 98 168.489 -1.890 15.143 1.00 0.00 H new ATOM 0 HG23 THR A 98 167.698 -1.549 13.586 1.00 0.00 H new ATOM 311 N GLY A 99 171.279 0.821 11.943 1.00 0.00 N ATOM 312 CA GLY A 99 172.505 1.397 11.315 1.00 0.00 C ATOM 313 C GLY A 99 173.366 0.299 10.672 1.00 0.00 C ATOM 314 O GLY A 99 174.497 0.545 10.295 1.00 0.00 O ATOM 0 H GLY A 99 170.496 0.676 11.305 1.00 0.00 H new ATOM 0 HA2 GLY A 99 172.220 2.129 10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 99 173.089 1.926 12.068 1.00 0.00 H new ATOM 318 N LYS A 100 172.855 -0.905 10.542 1.00 0.00 N ATOM 319 CA LYS A 100 173.667 -1.999 9.924 1.00 0.00 C ATOM 320 C LYS A 100 172.844 -2.743 8.866 1.00 0.00 C ATOM 321 O LYS A 100 171.630 -2.787 8.938 1.00 0.00 O ATOM 322 CB LYS A 100 174.006 -2.936 11.083 1.00 0.00 C ATOM 323 CG LYS A 100 174.896 -2.203 12.090 1.00 0.00 C ATOM 324 CD LYS A 100 176.280 -1.978 11.479 1.00 0.00 C ATOM 325 CE LYS A 100 177.240 -1.475 12.559 1.00 0.00 C ATOM 326 NZ LYS A 100 177.236 0.008 12.417 1.00 0.00 N ATOM 0 H LYS A 100 171.916 -1.174 10.836 1.00 0.00 H new ATOM 0 HA LYS A 100 174.558 -1.618 9.424 1.00 0.00 H new ATOM 0 HB2 LYS A 100 173.091 -3.275 11.570 1.00 0.00 H new ATOM 0 HB3 LYS A 100 174.516 -3.824 10.709 1.00 0.00 H new ATOM 0 HG2 LYS A 100 174.447 -1.248 12.361 1.00 0.00 H new ATOM 0 HG3 LYS A 100 174.982 -2.786 13.007 1.00 0.00 H new ATOM 0 HD2 LYS A 100 176.654 -2.907 11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 100 176.217 -1.253 10.667 1.00 0.00 H new ATOM 0 HE2 LYS A 100 176.910 -1.777 13.553 1.00 0.00 H new ATOM 0 HE3 LYS A 100 178.241 -1.882 12.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 177.872 0.426 13.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 177.561 0.266 11.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 176.271 0.368 12.563 1.00 0.00 H new ATOM 340 N VAL A 101 173.492 -3.341 7.895 1.00 0.00 N ATOM 341 CA VAL A 101 172.741 -4.100 6.844 1.00 0.00 C ATOM 342 C VAL A 101 173.598 -5.254 6.315 1.00 0.00 C ATOM 343 O VAL A 101 174.806 -5.261 6.464 1.00 0.00 O ATOM 344 CB VAL A 101 172.437 -3.088 5.731 1.00 0.00 C ATOM 345 CG1 VAL A 101 171.545 -1.973 6.280 1.00 0.00 C ATOM 346 CG2 VAL A 101 173.746 -2.483 5.212 1.00 0.00 C ATOM 0 H VAL A 101 174.506 -3.337 7.784 1.00 0.00 H new ATOM 0 HA VAL A 101 171.824 -4.539 7.236 1.00 0.00 H new ATOM 0 HB VAL A 101 171.923 -3.596 4.915 1.00 0.00 H new ATOM 0 HG11 VAL A 101 171.330 -1.256 5.488 1.00 0.00 H new ATOM 0 HG12 VAL A 101 170.611 -2.401 6.645 1.00 0.00 H new ATOM 0 HG13 VAL A 101 172.057 -1.467 7.099 1.00 0.00 H new ATOM 0 HG21 VAL A 101 173.527 -1.765 4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 101 174.262 -1.978 6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 101 174.381 -3.275 4.816 1.00 0.00 H new ATOM 356 N SER A 102 172.980 -6.221 5.689 1.00 0.00 N ATOM 357 CA SER A 102 173.743 -7.378 5.132 1.00 0.00 C ATOM 358 C SER A 102 174.300 -7.023 3.752 1.00 0.00 C ATOM 359 O SER A 102 173.684 -6.294 2.998 1.00 0.00 O ATOM 360 CB SER A 102 172.717 -8.504 5.010 1.00 0.00 C ATOM 361 OG SER A 102 171.533 -7.996 4.410 1.00 0.00 O ATOM 0 H SER A 102 171.972 -6.259 5.538 1.00 0.00 H new ATOM 0 HA SER A 102 174.588 -7.657 5.761 1.00 0.00 H new ATOM 0 HB2 SER A 102 173.123 -9.318 4.409 1.00 0.00 H new ATOM 0 HB3 SER A 102 172.492 -8.915 5.994 1.00 0.00 H new ATOM 0 HG SER A 102 170.873 -8.716 4.328 1.00 0.00 H new ATOM 367 N VAL A 103 175.461 -7.528 3.416 1.00 0.00 N ATOM 368 CA VAL A 103 176.063 -7.217 2.079 1.00 0.00 C ATOM 369 C VAL A 103 175.107 -7.618 0.948 1.00 0.00 C ATOM 370 O VAL A 103 175.000 -6.931 -0.051 1.00 0.00 O ATOM 371 CB VAL A 103 177.362 -8.035 2.018 1.00 0.00 C ATOM 372 CG1 VAL A 103 177.047 -9.531 2.126 1.00 0.00 C ATOM 373 CG2 VAL A 103 178.079 -7.760 0.692 1.00 0.00 C ATOM 0 H VAL A 103 176.019 -8.142 4.009 1.00 0.00 H new ATOM 0 HA VAL A 103 176.254 -6.151 1.956 1.00 0.00 H new ATOM 0 HB VAL A 103 178.004 -7.744 2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 103 177.974 -10.102 2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 103 176.543 -9.729 3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 103 176.399 -9.827 1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 103 179.000 -8.341 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 103 177.432 -8.045 -0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 103 178.315 -6.698 0.620 1.00 0.00 H new ATOM 383 N GLY A 104 174.416 -8.724 1.090 1.00 0.00 N ATOM 384 CA GLY A 104 173.474 -9.167 0.018 1.00 0.00 C ATOM 385 C GLY A 104 172.400 -8.100 -0.209 1.00 0.00 C ATOM 386 O GLY A 104 172.029 -7.808 -1.331 1.00 0.00 O ATOM 0 H GLY A 104 174.465 -9.338 1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 104 174.021 -9.346 -0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 104 173.007 -10.111 0.300 1.00 0.00 H new ATOM 390 N ASP A 105 171.906 -7.512 0.852 1.00 0.00 N ATOM 391 CA ASP A 105 170.860 -6.454 0.716 1.00 0.00 C ATOM 392 C ASP A 105 171.503 -5.113 0.357 1.00 0.00 C ATOM 393 O ASP A 105 170.980 -4.357 -0.440 1.00 0.00 O ATOM 394 CB ASP A 105 170.188 -6.377 2.087 1.00 0.00 C ATOM 395 CG ASP A 105 168.937 -5.503 1.995 1.00 0.00 C ATOM 396 OD1 ASP A 105 169.083 -4.318 1.737 1.00 0.00 O ATOM 397 OD2 ASP A 105 167.853 -6.030 2.185 1.00 0.00 O ATOM 0 H ASP A 105 172.184 -7.721 1.811 1.00 0.00 H new ATOM 0 HA ASP A 105 170.145 -6.684 -0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 105 169.921 -7.377 2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 105 170.880 -5.963 2.820 1.00 0.00 H new ATOM 402 N LEU A 106 172.629 -4.812 0.953 1.00 0.00 N ATOM 403 CA LEU A 106 173.313 -3.513 0.666 1.00 0.00 C ATOM 404 C LEU A 106 173.661 -3.421 -0.824 1.00 0.00 C ATOM 405 O LEU A 106 173.376 -2.431 -1.471 1.00 0.00 O ATOM 406 CB LEU A 106 174.587 -3.538 1.519 1.00 0.00 C ATOM 407 CG LEU A 106 175.372 -2.238 1.320 1.00 0.00 C ATOM 408 CD1 LEU A 106 176.056 -1.849 2.631 1.00 0.00 C ATOM 409 CD2 LEU A 106 176.431 -2.441 0.233 1.00 0.00 C ATOM 0 H LEU A 106 173.106 -5.411 1.627 1.00 0.00 H new ATOM 0 HA LEU A 106 172.686 -2.652 0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 106 174.329 -3.660 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 106 175.204 -4.392 1.241 1.00 0.00 H new ATOM 0 HG LEU A 106 174.688 -1.445 1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 106 176.615 -0.924 2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 106 175.303 -1.703 3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 106 176.739 -2.642 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 106 176.989 -1.516 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 106 177.114 -3.235 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 106 175.944 -2.717 -0.702 1.00 0.00 H new ATOM 421 N ARG A 107 174.282 -4.436 -1.366 1.00 0.00 N ATOM 422 CA ARG A 107 174.659 -4.399 -2.813 1.00 0.00 C ATOM 423 C ARG A 107 173.410 -4.358 -3.695 1.00 0.00 C ATOM 424 O ARG A 107 173.433 -3.813 -4.783 1.00 0.00 O ATOM 425 CB ARG A 107 175.464 -5.678 -3.062 1.00 0.00 C ATOM 426 CG ARG A 107 176.125 -5.614 -4.443 1.00 0.00 C ATOM 427 CD ARG A 107 176.246 -7.028 -5.015 1.00 0.00 C ATOM 428 NE ARG A 107 176.550 -6.834 -6.460 1.00 0.00 N ATOM 429 CZ ARG A 107 175.769 -7.357 -7.366 1.00 0.00 C ATOM 430 NH1 ARG A 107 175.796 -8.643 -7.588 1.00 0.00 N ATOM 431 NH2 ARG A 107 174.962 -6.594 -8.050 1.00 0.00 N ATOM 0 H ARG A 107 174.545 -5.288 -0.871 1.00 0.00 H new ATOM 0 HA ARG A 107 175.239 -3.509 -3.057 1.00 0.00 H new ATOM 0 HB2 ARG A 107 176.224 -5.796 -2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 107 174.810 -6.548 -3.002 1.00 0.00 H new ATOM 0 HG2 ARG A 107 175.534 -4.988 -5.112 1.00 0.00 H new ATOM 0 HG3 ARG A 107 177.111 -5.156 -4.366 1.00 0.00 H new ATOM 0 HD2 ARG A 107 177.037 -7.589 -4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 107 175.322 -7.590 -4.878 1.00 0.00 H new ATOM 0 HE ARG A 107 177.368 -6.293 -6.742 1.00 0.00 H new ATOM 0 HH11 ARG A 107 176.427 -9.240 -7.054 1.00 0.00 H new ATOM 0 HH12 ARG A 107 175.186 -9.051 -8.296 1.00 0.00 H new ATOM 0 HH21 ARG A 107 174.941 -5.589 -7.877 1.00 0.00 H new ATOM 0 HH22 ARG A 107 174.352 -7.002 -8.758 1.00 0.00 H new ATOM 445 N TYR A 108 172.322 -4.938 -3.242 1.00 0.00 N ATOM 446 CA TYR A 108 171.083 -4.932 -4.075 1.00 0.00 C ATOM 447 C TYR A 108 170.531 -3.510 -4.201 1.00 0.00 C ATOM 448 O TYR A 108 170.195 -3.068 -5.285 1.00 0.00 O ATOM 449 CB TYR A 108 170.092 -5.851 -3.359 1.00 0.00 C ATOM 450 CG TYR A 108 168.871 -6.048 -4.225 1.00 0.00 C ATOM 451 CD1 TYR A 108 167.845 -5.095 -4.215 1.00 0.00 C ATOM 452 CD2 TYR A 108 168.766 -7.182 -5.040 1.00 0.00 C ATOM 453 CE1 TYR A 108 166.713 -5.278 -5.019 1.00 0.00 C ATOM 454 CE2 TYR A 108 167.634 -7.363 -5.843 1.00 0.00 C ATOM 455 CZ TYR A 108 166.608 -6.412 -5.833 1.00 0.00 C ATOM 456 OH TYR A 108 165.493 -6.591 -6.626 1.00 0.00 O ATOM 0 H TYR A 108 172.242 -5.409 -2.341 1.00 0.00 H new ATOM 0 HA TYR A 108 171.275 -5.281 -5.090 1.00 0.00 H new ATOM 0 HB2 TYR A 108 170.559 -6.813 -3.147 1.00 0.00 H new ATOM 0 HB3 TYR A 108 169.805 -5.418 -2.401 1.00 0.00 H new ATOM 0 HD1 TYR A 108 167.927 -4.220 -3.588 1.00 0.00 H new ATOM 0 HD2 TYR A 108 169.558 -7.916 -5.049 1.00 0.00 H new ATOM 0 HE1 TYR A 108 165.921 -4.544 -5.011 1.00 0.00 H new ATOM 0 HE2 TYR A 108 167.552 -8.238 -6.471 1.00 0.00 H new ATOM 0 HH TYR A 108 165.580 -7.428 -7.129 1.00 0.00 H new ATOM 466 N MET A 109 170.421 -2.791 -3.106 1.00 0.00 N ATOM 467 CA MET A 109 169.874 -1.404 -3.188 1.00 0.00 C ATOM 468 C MET A 109 170.797 -0.529 -4.021 1.00 0.00 C ATOM 469 O MET A 109 170.338 0.283 -4.803 1.00 0.00 O ATOM 470 CB MET A 109 169.804 -0.902 -1.750 1.00 0.00 C ATOM 471 CG MET A 109 168.427 -1.230 -1.156 1.00 0.00 C ATOM 472 SD MET A 109 167.652 0.276 -0.507 1.00 0.00 S ATOM 473 CE MET A 109 167.740 1.255 -2.031 1.00 0.00 C ATOM 0 H MET A 109 170.684 -3.103 -2.171 1.00 0.00 H new ATOM 0 HA MET A 109 168.894 -1.379 -3.664 1.00 0.00 H new ATOM 0 HB2 MET A 109 170.589 -1.367 -1.153 1.00 0.00 H new ATOM 0 HB3 MET A 109 169.977 0.174 -1.721 1.00 0.00 H new ATOM 0 HG2 MET A 109 167.790 -1.676 -1.920 1.00 0.00 H new ATOM 0 HG3 MET A 109 168.532 -1.966 -0.359 1.00 0.00 H new ATOM 0 HE1 MET A 109 166.869 1.908 -2.095 1.00 0.00 H new ATOM 0 HE2 MET A 109 168.647 1.860 -2.023 1.00 0.00 H new ATOM 0 HE3 MET A 109 167.757 0.587 -2.892 1.00 0.00 H new ATOM 483 N LEU A 110 172.093 -0.687 -3.886 1.00 0.00 N ATOM 484 CA LEU A 110 173.030 0.145 -4.709 1.00 0.00 C ATOM 485 C LEU A 110 172.678 -0.051 -6.186 1.00 0.00 C ATOM 486 O LEU A 110 172.558 0.890 -6.945 1.00 0.00 O ATOM 487 CB LEU A 110 174.434 -0.402 -4.409 1.00 0.00 C ATOM 488 CG LEU A 110 175.246 0.639 -3.633 1.00 0.00 C ATOM 489 CD1 LEU A 110 174.846 0.604 -2.158 1.00 0.00 C ATOM 490 CD2 LEU A 110 176.740 0.322 -3.762 1.00 0.00 C ATOM 0 H LEU A 110 172.539 -1.348 -3.250 1.00 0.00 H new ATOM 0 HA LEU A 110 172.970 1.210 -4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 110 174.359 -1.322 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 110 174.943 -0.652 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 110 175.047 1.630 -4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 110 175.424 1.345 -1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 110 173.784 0.829 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 110 175.044 -0.387 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 110 177.318 1.063 -3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 110 176.938 -0.670 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 110 177.028 0.347 -4.813 1.00 0.00 H new ATOM 502 N THR A 111 172.471 -1.282 -6.571 1.00 0.00 N ATOM 503 CA THR A 111 172.092 -1.582 -7.988 1.00 0.00 C ATOM 504 C THR A 111 170.782 -0.867 -8.341 1.00 0.00 C ATOM 505 O THR A 111 170.559 -0.467 -9.466 1.00 0.00 O ATOM 506 CB THR A 111 171.900 -3.100 -8.037 1.00 0.00 C ATOM 507 OG1 THR A 111 173.094 -3.740 -7.610 1.00 0.00 O ATOM 508 CG2 THR A 111 171.572 -3.530 -9.468 1.00 0.00 C ATOM 0 H THR A 111 172.548 -2.098 -5.964 1.00 0.00 H new ATOM 0 HA THR A 111 172.846 -1.244 -8.699 1.00 0.00 H new ATOM 0 HB THR A 111 171.079 -3.384 -7.379 1.00 0.00 H new ATOM 0 HG1 THR A 111 173.082 -3.839 -6.635 1.00 0.00 H new ATOM 0 HG21 THR A 111 171.436 -4.611 -9.501 1.00 0.00 H new ATOM 0 HG22 THR A 111 170.656 -3.039 -9.795 1.00 0.00 H new ATOM 0 HG23 THR A 111 172.391 -3.247 -10.130 1.00 0.00 H new ATOM 516 N GLY A 112 169.936 -0.682 -7.363 1.00 0.00 N ATOM 517 CA GLY A 112 168.646 0.032 -7.582 1.00 0.00 C ATOM 518 C GLY A 112 168.837 1.548 -7.405 1.00 0.00 C ATOM 519 O GLY A 112 167.972 2.333 -7.744 1.00 0.00 O ATOM 0 H GLY A 112 170.088 -1.001 -6.406 1.00 0.00 H new ATOM 0 HA2 GLY A 112 168.271 -0.180 -8.583 1.00 0.00 H new ATOM 0 HA3 GLY A 112 167.897 -0.332 -6.878 1.00 0.00 H new ATOM 523 N LEU A 113 169.943 1.958 -6.831 1.00 0.00 N ATOM 524 CA LEU A 113 170.191 3.411 -6.565 1.00 0.00 C ATOM 525 C LEU A 113 171.015 4.086 -7.674 1.00 0.00 C ATOM 526 O LEU A 113 171.426 5.222 -7.526 1.00 0.00 O ATOM 527 CB LEU A 113 170.997 3.412 -5.262 1.00 0.00 C ATOM 528 CG LEU A 113 170.491 4.511 -4.328 1.00 0.00 C ATOM 529 CD1 LEU A 113 171.267 4.439 -3.013 1.00 0.00 C ATOM 530 CD2 LEU A 113 170.712 5.881 -4.972 1.00 0.00 C ATOM 0 H LEU A 113 170.695 1.338 -6.531 1.00 0.00 H new ATOM 0 HA LEU A 113 169.254 3.966 -6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 113 170.912 2.442 -4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 113 172.054 3.568 -5.480 1.00 0.00 H new ATOM 0 HG LEU A 113 169.426 4.371 -4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 113 170.914 5.219 -2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 113 171.112 3.464 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 113 172.330 4.583 -3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 113 170.350 6.661 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 113 171.776 6.028 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 113 170.168 5.932 -5.915 1.00 0.00 H new ATOM 542 N GLY A 114 171.292 3.411 -8.760 1.00 0.00 N ATOM 543 CA GLY A 114 172.125 4.038 -9.837 1.00 0.00 C ATOM 544 C GLY A 114 173.547 3.470 -9.747 1.00 0.00 C ATOM 545 O GLY A 114 174.517 4.127 -10.073 1.00 0.00 O ATOM 0 H GLY A 114 170.981 2.458 -8.950 1.00 0.00 H new ATOM 0 HA2 GLY A 114 171.696 3.830 -10.817 1.00 0.00 H new ATOM 0 HA3 GLY A 114 172.142 5.122 -9.720 1.00 0.00 H new ATOM 549 N GLU A 115 173.653 2.237 -9.337 1.00 0.00 N ATOM 550 CA GLU A 115 174.987 1.573 -9.250 1.00 0.00 C ATOM 551 C GLU A 115 175.065 0.429 -10.259 1.00 0.00 C ATOM 552 O GLU A 115 174.298 -0.513 -10.188 1.00 0.00 O ATOM 553 CB GLU A 115 175.092 1.031 -7.827 1.00 0.00 C ATOM 554 CG GLU A 115 176.567 0.848 -7.462 1.00 0.00 C ATOM 555 CD GLU A 115 177.230 2.219 -7.306 1.00 0.00 C ATOM 556 OE1 GLU A 115 176.560 3.132 -6.853 1.00 0.00 O ATOM 557 OE2 GLU A 115 178.398 2.330 -7.642 1.00 0.00 O ATOM 0 H GLU A 115 172.865 1.654 -9.055 1.00 0.00 H new ATOM 0 HA GLU A 115 175.799 2.265 -9.474 1.00 0.00 H new ATOM 0 HB2 GLU A 115 174.615 1.718 -7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 115 174.565 0.080 -7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 115 176.655 0.282 -6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 115 177.075 0.273 -8.236 1.00 0.00 H new ATOM 564 N LYS A 116 175.996 0.481 -11.175 1.00 0.00 N ATOM 565 CA LYS A 116 176.128 -0.630 -12.158 1.00 0.00 C ATOM 566 C LYS A 116 177.532 -1.220 -12.069 1.00 0.00 C ATOM 567 O LYS A 116 178.276 -1.268 -13.028 1.00 0.00 O ATOM 568 CB LYS A 116 175.825 -0.043 -13.537 1.00 0.00 C ATOM 569 CG LYS A 116 174.399 0.508 -13.554 1.00 0.00 C ATOM 570 CD LYS A 116 174.093 1.095 -14.933 1.00 0.00 C ATOM 571 CE LYS A 116 172.665 1.645 -14.948 1.00 0.00 C ATOM 572 NZ LYS A 116 172.325 1.791 -16.390 1.00 0.00 N ATOM 0 H LYS A 116 176.667 1.242 -11.283 1.00 0.00 H new ATOM 0 HA LYS A 116 175.433 -1.445 -11.957 1.00 0.00 H new ATOM 0 HB2 LYS A 116 176.535 0.750 -13.771 1.00 0.00 H new ATOM 0 HB3 LYS A 116 175.939 -0.810 -14.303 1.00 0.00 H new ATOM 0 HG2 LYS A 116 173.689 -0.285 -13.319 1.00 0.00 H new ATOM 0 HG3 LYS A 116 174.285 1.275 -12.788 1.00 0.00 H new ATOM 0 HD2 LYS A 116 174.802 1.889 -15.168 1.00 0.00 H new ATOM 0 HD3 LYS A 116 174.207 0.329 -15.700 1.00 0.00 H new ATOM 0 HE2 LYS A 116 171.975 0.966 -14.446 1.00 0.00 H new ATOM 0 HE3 LYS A 116 172.605 2.602 -14.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 171.359 2.164 -16.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 172.994 2.448 -16.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 172.384 0.863 -16.856 1.00 0.00 H new ATOM 586 N LEU A 117 177.866 -1.705 -10.905 1.00 0.00 N ATOM 587 CA LEU A 117 179.186 -2.351 -10.679 1.00 0.00 C ATOM 588 C LEU A 117 179.051 -3.840 -10.994 1.00 0.00 C ATOM 589 O LEU A 117 178.005 -4.427 -10.788 1.00 0.00 O ATOM 590 CB LEU A 117 179.487 -2.137 -9.195 1.00 0.00 C ATOM 591 CG LEU A 117 179.582 -0.638 -8.902 1.00 0.00 C ATOM 592 CD1 LEU A 117 179.654 -0.416 -7.390 1.00 0.00 C ATOM 593 CD2 LEU A 117 180.841 -0.069 -9.561 1.00 0.00 C ATOM 0 H LEU A 117 177.263 -1.679 -10.083 1.00 0.00 H new ATOM 0 HA LEU A 117 179.981 -1.943 -11.303 1.00 0.00 H new ATOM 0 HB2 LEU A 117 178.704 -2.588 -8.586 1.00 0.00 H new ATOM 0 HB3 LEU A 117 180.422 -2.630 -8.928 1.00 0.00 H new ATOM 0 HG LEU A 117 178.702 -0.134 -9.301 1.00 0.00 H new ATOM 0 HD11 LEU A 117 179.722 0.652 -7.182 1.00 0.00 H new ATOM 0 HD12 LEU A 117 178.758 -0.821 -6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 117 180.534 -0.920 -6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 117 180.910 0.999 -9.353 1.00 0.00 H new ATOM 0 HD22 LEU A 117 181.721 -0.574 -9.162 1.00 0.00 H new ATOM 0 HD23 LEU A 117 180.790 -0.226 -10.638 1.00 0.00 H new ATOM 605 N THR A 118 180.096 -4.460 -11.470 1.00 0.00 N ATOM 606 CA THR A 118 180.025 -5.918 -11.776 1.00 0.00 C ATOM 607 C THR A 118 180.897 -6.688 -10.785 1.00 0.00 C ATOM 608 O THR A 118 181.928 -6.192 -10.377 1.00 0.00 O ATOM 609 CB THR A 118 180.570 -6.056 -13.195 1.00 0.00 C ATOM 610 OG1 THR A 118 179.980 -5.067 -14.026 1.00 0.00 O ATOM 611 CG2 THR A 118 180.241 -7.446 -13.739 1.00 0.00 C ATOM 0 H THR A 118 180.996 -4.020 -11.660 1.00 0.00 H new ATOM 0 HA THR A 118 179.013 -6.316 -11.697 1.00 0.00 H new ATOM 0 HB THR A 118 181.652 -5.922 -13.183 1.00 0.00 H new ATOM 0 HG1 THR A 118 180.331 -5.154 -14.937 1.00 0.00 H new ATOM 0 HG21 THR A 118 180.631 -7.542 -14.752 1.00 0.00 H new ATOM 0 HG22 THR A 118 180.697 -8.204 -13.101 1.00 0.00 H new ATOM 0 HG23 THR A 118 179.160 -7.585 -13.752 1.00 0.00 H new ATOM 619 N ASP A 119 180.486 -7.866 -10.356 1.00 0.00 N ATOM 620 CA ASP A 119 181.287 -8.655 -9.346 1.00 0.00 C ATOM 621 C ASP A 119 182.802 -8.576 -9.605 1.00 0.00 C ATOM 622 O ASP A 119 183.593 -8.636 -8.682 1.00 0.00 O ATOM 623 CB ASP A 119 180.801 -10.096 -9.503 1.00 0.00 C ATOM 624 CG ASP A 119 181.348 -10.947 -8.356 1.00 0.00 C ATOM 625 OD1 ASP A 119 182.544 -11.187 -8.339 1.00 0.00 O ATOM 626 OD2 ASP A 119 180.561 -11.346 -7.512 1.00 0.00 O ATOM 0 H ASP A 119 179.625 -8.319 -10.663 1.00 0.00 H new ATOM 0 HA ASP A 119 181.141 -8.260 -8.341 1.00 0.00 H new ATOM 0 HB2 ASP A 119 179.711 -10.125 -9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 119 181.132 -10.500 -10.460 1.00 0.00 H new ATOM 631 N ALA A 120 183.203 -8.390 -10.838 1.00 0.00 N ATOM 632 CA ALA A 120 184.659 -8.247 -11.133 1.00 0.00 C ATOM 633 C ALA A 120 185.160 -6.954 -10.482 1.00 0.00 C ATOM 634 O ALA A 120 186.132 -6.953 -9.751 1.00 0.00 O ATOM 635 CB ALA A 120 184.758 -8.157 -12.657 1.00 0.00 C ATOM 0 H ALA A 120 182.587 -8.331 -11.649 1.00 0.00 H new ATOM 0 HA ALA A 120 185.257 -9.074 -10.750 1.00 0.00 H new ATOM 0 HB1 ALA A 120 185.803 -8.050 -12.948 1.00 0.00 H new ATOM 0 HB2 ALA A 120 184.348 -9.064 -13.102 1.00 0.00 H new ATOM 0 HB3 ALA A 120 184.193 -7.293 -13.008 1.00 0.00 H new ATOM 641 N GLU A 121 184.490 -5.855 -10.732 1.00 0.00 N ATOM 642 CA GLU A 121 184.901 -4.551 -10.123 1.00 0.00 C ATOM 643 C GLU A 121 184.503 -4.498 -8.642 1.00 0.00 C ATOM 644 O GLU A 121 185.137 -3.838 -7.841 1.00 0.00 O ATOM 645 CB GLU A 121 184.146 -3.483 -10.917 1.00 0.00 C ATOM 646 CG GLU A 121 184.727 -3.389 -12.329 1.00 0.00 C ATOM 647 CD GLU A 121 183.972 -2.321 -13.123 1.00 0.00 C ATOM 648 OE1 GLU A 121 184.374 -1.172 -13.063 1.00 0.00 O ATOM 649 OE2 GLU A 121 183.004 -2.672 -13.778 1.00 0.00 O ATOM 0 H GLU A 121 183.670 -5.805 -11.336 1.00 0.00 H new ATOM 0 HA GLU A 121 185.980 -4.405 -10.164 1.00 0.00 H new ATOM 0 HB2 GLU A 121 183.086 -3.732 -10.965 1.00 0.00 H new ATOM 0 HB3 GLU A 121 184.225 -2.519 -10.415 1.00 0.00 H new ATOM 0 HG2 GLU A 121 185.787 -3.140 -12.281 1.00 0.00 H new ATOM 0 HG3 GLU A 121 184.648 -4.353 -12.831 1.00 0.00 H new ATOM 656 N VAL A 122 183.448 -5.182 -8.277 1.00 0.00 N ATOM 657 CA VAL A 122 183.003 -5.177 -6.849 1.00 0.00 C ATOM 658 C VAL A 122 183.892 -6.111 -6.017 1.00 0.00 C ATOM 659 O VAL A 122 184.131 -5.864 -4.851 1.00 0.00 O ATOM 660 CB VAL A 122 181.554 -5.684 -6.863 1.00 0.00 C ATOM 661 CG1 VAL A 122 180.985 -5.649 -5.440 1.00 0.00 C ATOM 662 CG2 VAL A 122 180.701 -4.787 -7.766 1.00 0.00 C ATOM 0 H VAL A 122 182.875 -5.744 -8.906 1.00 0.00 H new ATOM 0 HA VAL A 122 183.074 -4.184 -6.405 1.00 0.00 H new ATOM 0 HB VAL A 122 181.537 -6.706 -7.242 1.00 0.00 H new ATOM 0 HG11 VAL A 122 179.956 -6.009 -5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 122 181.586 -6.287 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 122 181.008 -4.626 -5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 122 179.673 -5.150 -7.773 1.00 0.00 H new ATOM 0 HG22 VAL A 122 180.722 -3.765 -7.388 1.00 0.00 H new ATOM 0 HG23 VAL A 122 181.100 -4.807 -8.780 1.00 0.00 H new ATOM 672 N ASP A 123 184.378 -7.183 -6.602 1.00 0.00 N ATOM 673 CA ASP A 123 185.245 -8.127 -5.827 1.00 0.00 C ATOM 674 C ASP A 123 186.594 -7.472 -5.502 1.00 0.00 C ATOM 675 O ASP A 123 187.088 -7.586 -4.395 1.00 0.00 O ATOM 676 CB ASP A 123 185.426 -9.356 -6.720 1.00 0.00 C ATOM 677 CG ASP A 123 186.263 -10.406 -5.987 1.00 0.00 C ATOM 678 OD1 ASP A 123 187.447 -10.171 -5.806 1.00 0.00 O ATOM 679 OD2 ASP A 123 185.707 -11.427 -5.619 1.00 0.00 O ATOM 0 H ASP A 123 184.213 -7.442 -7.575 1.00 0.00 H new ATOM 0 HA ASP A 123 184.796 -8.400 -4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 123 184.454 -9.772 -6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 123 185.916 -9.072 -7.652 1.00 0.00 H new ATOM 684 N GLU A 124 187.183 -6.765 -6.439 1.00 0.00 N ATOM 685 CA GLU A 124 188.486 -6.082 -6.156 1.00 0.00 C ATOM 686 C GLU A 124 188.313 -5.084 -5.003 1.00 0.00 C ATOM 687 O GLU A 124 189.171 -4.957 -4.153 1.00 0.00 O ATOM 688 CB GLU A 124 188.894 -5.364 -7.459 1.00 0.00 C ATOM 689 CG GLU A 124 187.795 -4.424 -7.957 1.00 0.00 C ATOM 690 CD GLU A 124 188.318 -3.634 -9.159 1.00 0.00 C ATOM 691 OE1 GLU A 124 188.189 -4.127 -10.268 1.00 0.00 O ATOM 692 OE2 GLU A 124 188.837 -2.550 -8.951 1.00 0.00 O ATOM 0 H GLU A 124 186.819 -6.632 -7.383 1.00 0.00 H new ATOM 0 HA GLU A 124 189.257 -6.790 -5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 124 189.809 -4.796 -7.290 1.00 0.00 H new ATOM 0 HB3 GLU A 124 189.115 -6.104 -8.228 1.00 0.00 H new ATOM 0 HG2 GLU A 124 186.911 -4.995 -8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 124 187.494 -3.743 -7.161 1.00 0.00 H new ATOM 699 N LEU A 125 187.212 -4.374 -4.973 1.00 0.00 N ATOM 700 CA LEU A 125 186.978 -3.380 -3.877 1.00 0.00 C ATOM 701 C LEU A 125 186.723 -4.101 -2.549 1.00 0.00 C ATOM 702 O LEU A 125 187.231 -3.722 -1.511 1.00 0.00 O ATOM 703 CB LEU A 125 185.714 -2.617 -4.303 1.00 0.00 C ATOM 704 CG LEU A 125 185.792 -1.150 -3.852 1.00 0.00 C ATOM 705 CD1 LEU A 125 185.948 -1.074 -2.329 1.00 0.00 C ATOM 706 CD2 LEU A 125 186.988 -0.464 -4.522 1.00 0.00 C ATOM 0 H LEU A 125 186.463 -4.440 -5.662 1.00 0.00 H new ATOM 0 HA LEU A 125 187.836 -2.723 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 125 185.601 -2.665 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 125 184.833 -3.090 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 125 184.872 -0.643 -4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 125 186.002 -0.030 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 125 185.091 -1.549 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 125 186.862 -1.588 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 125 187.039 0.576 -4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 125 187.907 -0.977 -4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 125 186.870 -0.502 -5.605 1.00 0.00 H new ATOM 718 N LEU A 126 185.917 -5.129 -2.587 1.00 0.00 N ATOM 719 CA LEU A 126 185.582 -5.892 -1.343 1.00 0.00 C ATOM 720 C LEU A 126 186.833 -6.497 -0.692 1.00 0.00 C ATOM 721 O LEU A 126 186.795 -6.925 0.447 1.00 0.00 O ATOM 722 CB LEU A 126 184.644 -7.009 -1.800 1.00 0.00 C ATOM 723 CG LEU A 126 183.224 -6.462 -1.942 1.00 0.00 C ATOM 724 CD1 LEU A 126 182.345 -7.508 -2.628 1.00 0.00 C ATOM 725 CD2 LEU A 126 182.655 -6.149 -0.555 1.00 0.00 C ATOM 0 H LEU A 126 185.470 -5.478 -3.435 1.00 0.00 H new ATOM 0 HA LEU A 126 185.131 -5.240 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 126 184.984 -7.416 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 126 184.659 -7.827 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 126 183.243 -5.551 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 126 181.331 -7.121 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 126 182.749 -7.732 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 126 182.327 -8.418 -2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 126 181.642 -5.759 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 126 182.635 -7.060 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 126 183.283 -5.405 -0.064 1.00 0.00 H new ATOM 737 N LYS A 127 187.928 -6.572 -1.412 1.00 0.00 N ATOM 738 CA LYS A 127 189.163 -7.195 -0.837 1.00 0.00 C ATOM 739 C LYS A 127 189.599 -6.483 0.450 1.00 0.00 C ATOM 740 O LYS A 127 190.349 -7.026 1.240 1.00 0.00 O ATOM 741 CB LYS A 127 190.237 -7.013 -1.913 1.00 0.00 C ATOM 742 CG LYS A 127 190.199 -8.202 -2.876 1.00 0.00 C ATOM 743 CD LYS A 127 191.563 -8.358 -3.563 1.00 0.00 C ATOM 744 CE LYS A 127 191.487 -7.821 -4.995 1.00 0.00 C ATOM 745 NZ LYS A 127 192.720 -8.326 -5.660 1.00 0.00 N ATOM 0 H LYS A 127 188.020 -6.230 -2.369 1.00 0.00 H new ATOM 0 HA LYS A 127 188.994 -8.240 -0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 127 190.068 -6.084 -2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 127 191.221 -6.937 -1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 127 189.948 -9.113 -2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 127 189.420 -8.052 -3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 127 192.327 -7.818 -3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 127 191.857 -9.407 -3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 127 190.590 -8.176 -5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 127 191.450 -6.732 -5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 192.741 -7.999 -6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 193.557 -7.966 -5.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 192.725 -9.366 -5.639 1.00 0.00 H new ATOM 759 N GLY A 128 189.140 -5.271 0.664 1.00 0.00 N ATOM 760 CA GLY A 128 189.533 -4.524 1.894 1.00 0.00 C ATOM 761 C GLY A 128 188.300 -4.253 2.761 1.00 0.00 C ATOM 762 O GLY A 128 188.284 -3.322 3.545 1.00 0.00 O ATOM 0 H GLY A 128 188.510 -4.770 0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 128 190.266 -5.099 2.460 1.00 0.00 H new ATOM 0 HA3 GLY A 128 190.009 -3.582 1.621 1.00 0.00 H new ATOM 766 N VAL A 129 187.274 -5.060 2.641 1.00 0.00 N ATOM 767 CA VAL A 129 186.051 -4.847 3.475 1.00 0.00 C ATOM 768 C VAL A 129 185.981 -5.919 4.564 1.00 0.00 C ATOM 769 O VAL A 129 186.030 -7.106 4.305 1.00 0.00 O ATOM 770 CB VAL A 129 184.863 -4.942 2.510 1.00 0.00 C ATOM 771 CG1 VAL A 129 183.554 -4.726 3.276 1.00 0.00 C ATOM 772 CG2 VAL A 129 184.999 -3.867 1.429 1.00 0.00 C ATOM 0 H VAL A 129 187.231 -5.855 2.003 1.00 0.00 H new ATOM 0 HA VAL A 129 186.054 -3.882 3.982 1.00 0.00 H new ATOM 0 HB VAL A 129 184.853 -5.929 2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 129 182.713 -4.794 2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 129 183.454 -5.490 4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 129 183.563 -3.740 3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 129 184.155 -3.933 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 129 185.011 -2.882 1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 129 185.928 -4.020 0.879 1.00 0.00 H new ATOM 782 N GLU A 130 185.894 -5.480 5.791 1.00 0.00 N ATOM 783 CA GLU A 130 185.850 -6.420 6.947 1.00 0.00 C ATOM 784 C GLU A 130 184.432 -6.570 7.507 1.00 0.00 C ATOM 785 O GLU A 130 183.927 -5.705 8.198 1.00 0.00 O ATOM 786 CB GLU A 130 186.761 -5.779 7.993 1.00 0.00 C ATOM 787 CG GLU A 130 187.051 -6.789 9.106 1.00 0.00 C ATOM 788 CD GLU A 130 188.184 -6.267 9.994 1.00 0.00 C ATOM 789 OE1 GLU A 130 188.281 -5.061 10.152 1.00 0.00 O ATOM 790 OE2 GLU A 130 188.934 -7.083 10.504 1.00 0.00 O ATOM 0 H GLU A 130 185.851 -4.493 6.044 1.00 0.00 H new ATOM 0 HA GLU A 130 186.166 -7.422 6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 130 187.693 -5.455 7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 130 186.286 -4.890 8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 130 186.154 -6.954 9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 130 187.328 -7.751 8.674 1.00 0.00 H new ATOM 797 N VAL A 131 183.809 -7.687 7.239 1.00 0.00 N ATOM 798 CA VAL A 131 182.439 -7.949 7.776 1.00 0.00 C ATOM 799 C VAL A 131 182.573 -8.616 9.150 1.00 0.00 C ATOM 800 O VAL A 131 183.628 -9.105 9.505 1.00 0.00 O ATOM 801 CB VAL A 131 181.762 -8.890 6.764 1.00 0.00 C ATOM 802 CG1 VAL A 131 181.740 -8.227 5.383 1.00 0.00 C ATOM 803 CG2 VAL A 131 182.522 -10.226 6.682 1.00 0.00 C ATOM 0 H VAL A 131 184.194 -8.437 6.665 1.00 0.00 H new ATOM 0 HA VAL A 131 181.851 -7.040 7.902 1.00 0.00 H new ATOM 0 HB VAL A 131 180.742 -9.086 7.094 1.00 0.00 H new ATOM 0 HG11 VAL A 131 181.260 -8.894 4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 131 181.183 -7.292 5.437 1.00 0.00 H new ATOM 0 HG13 VAL A 131 182.761 -8.023 5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 131 182.031 -10.881 5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 131 183.548 -10.042 6.364 1.00 0.00 H new ATOM 0 HG23 VAL A 131 182.526 -10.703 7.662 1.00 0.00 H new ATOM 813 N ASP A 132 181.521 -8.623 9.929 1.00 0.00 N ATOM 814 CA ASP A 132 181.601 -9.239 11.286 1.00 0.00 C ATOM 815 C ASP A 132 181.152 -10.703 11.252 1.00 0.00 C ATOM 816 O ASP A 132 180.880 -11.261 10.208 1.00 0.00 O ATOM 817 CB ASP A 132 180.645 -8.411 12.147 1.00 0.00 C ATOM 818 CG ASP A 132 181.230 -7.014 12.369 1.00 0.00 C ATOM 819 OD1 ASP A 132 182.444 -6.900 12.419 1.00 0.00 O ATOM 820 OD2 ASP A 132 180.453 -6.081 12.487 1.00 0.00 O ATOM 0 H ASP A 132 180.613 -8.229 9.684 1.00 0.00 H new ATOM 0 HA ASP A 132 182.620 -9.237 11.673 1.00 0.00 H new ATOM 0 HB2 ASP A 132 179.673 -8.336 11.659 1.00 0.00 H new ATOM 0 HB3 ASP A 132 180.483 -8.905 13.105 1.00 0.00 H new ATOM 825 N SER A 133 181.084 -11.320 12.404 1.00 0.00 N ATOM 826 CA SER A 133 180.662 -12.755 12.483 1.00 0.00 C ATOM 827 C SER A 133 179.161 -12.926 12.187 1.00 0.00 C ATOM 828 O SER A 133 178.661 -14.035 12.170 1.00 0.00 O ATOM 829 CB SER A 133 180.973 -13.180 13.918 1.00 0.00 C ATOM 830 OG SER A 133 182.319 -13.633 13.992 1.00 0.00 O ATOM 0 H SER A 133 181.304 -10.889 13.302 1.00 0.00 H new ATOM 0 HA SER A 133 181.184 -13.362 11.743 1.00 0.00 H new ATOM 0 HB2 SER A 133 180.821 -12.342 14.599 1.00 0.00 H new ATOM 0 HB3 SER A 133 180.293 -13.972 14.231 1.00 0.00 H new ATOM 0 HG SER A 133 182.523 -13.905 14.911 1.00 0.00 H new ATOM 836 N ASN A 134 178.440 -11.856 11.938 1.00 0.00 N ATOM 837 CA ASN A 134 176.985 -11.981 11.625 1.00 0.00 C ATOM 838 C ASN A 134 176.721 -11.689 10.138 1.00 0.00 C ATOM 839 O ASN A 134 175.643 -11.948 9.637 1.00 0.00 O ATOM 840 CB ASN A 134 176.293 -10.949 12.522 1.00 0.00 C ATOM 841 CG ASN A 134 176.813 -9.539 12.207 1.00 0.00 C ATOM 842 OD1 ASN A 134 177.582 -9.348 11.284 1.00 0.00 O ATOM 843 ND2 ASN A 134 176.423 -8.537 12.946 1.00 0.00 N ATOM 0 H ASN A 134 178.800 -10.902 11.939 1.00 0.00 H new ATOM 0 HA ASN A 134 176.612 -12.989 11.808 1.00 0.00 H new ATOM 0 HB2 ASN A 134 175.214 -10.989 12.370 1.00 0.00 H new ATOM 0 HB3 ASN A 134 176.476 -11.186 13.570 1.00 0.00 H new ATOM 0 HD21 ASN A 134 176.763 -7.596 12.749 1.00 0.00 H new ATOM 0 HD22 ASN A 134 175.778 -8.695 13.720 1.00 0.00 H new ATOM 850 N GLY A 135 177.692 -11.157 9.429 1.00 0.00 N ATOM 851 CA GLY A 135 177.490 -10.856 7.980 1.00 0.00 C ATOM 852 C GLY A 135 176.893 -9.456 7.816 1.00 0.00 C ATOM 853 O GLY A 135 176.192 -9.179 6.862 1.00 0.00 O ATOM 0 H GLY A 135 178.614 -10.920 9.795 1.00 0.00 H new ATOM 0 HA2 GLY A 135 178.441 -10.920 7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 135 176.827 -11.598 7.535 1.00 0.00 H new ATOM 857 N GLU A 136 177.157 -8.577 8.751 1.00 0.00 N ATOM 858 CA GLU A 136 176.598 -7.195 8.669 1.00 0.00 C ATOM 859 C GLU A 136 177.698 -6.172 8.376 1.00 0.00 C ATOM 860 O GLU A 136 178.778 -6.220 8.933 1.00 0.00 O ATOM 861 CB GLU A 136 175.978 -6.938 10.042 1.00 0.00 C ATOM 862 CG GLU A 136 174.729 -7.806 10.210 1.00 0.00 C ATOM 863 CD GLU A 136 174.102 -7.553 11.584 1.00 0.00 C ATOM 864 OE1 GLU A 136 174.236 -6.447 12.084 1.00 0.00 O ATOM 865 OE2 GLU A 136 173.498 -8.471 12.114 1.00 0.00 O ATOM 0 H GLU A 136 177.738 -8.759 9.570 1.00 0.00 H new ATOM 0 HA GLU A 136 175.871 -7.101 7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 136 176.700 -7.165 10.827 1.00 0.00 H new ATOM 0 HB3 GLU A 136 175.718 -5.884 10.144 1.00 0.00 H new ATOM 0 HG2 GLU A 136 174.009 -7.579 9.424 1.00 0.00 H new ATOM 0 HG3 GLU A 136 174.991 -8.859 10.108 1.00 0.00 H new ATOM 872 N ILE A 137 177.409 -5.240 7.506 1.00 0.00 N ATOM 873 CA ILE A 137 178.406 -4.185 7.156 1.00 0.00 C ATOM 874 C ILE A 137 177.750 -2.805 7.269 1.00 0.00 C ATOM 875 O ILE A 137 176.604 -2.620 6.905 1.00 0.00 O ATOM 876 CB ILE A 137 178.820 -4.485 5.712 1.00 0.00 C ATOM 877 CG1 ILE A 137 179.495 -5.861 5.653 1.00 0.00 C ATOM 878 CG2 ILE A 137 179.809 -3.422 5.223 1.00 0.00 C ATOM 879 CD1 ILE A 137 178.439 -6.959 5.485 1.00 0.00 C ATOM 0 H ILE A 137 176.516 -5.164 7.018 1.00 0.00 H new ATOM 0 HA ILE A 137 179.270 -4.183 7.820 1.00 0.00 H new ATOM 0 HB ILE A 137 177.934 -4.477 5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 137 180.200 -5.894 4.822 1.00 0.00 H new ATOM 0 HG13 ILE A 137 180.068 -6.033 6.564 1.00 0.00 H new ATOM 0 HG21 ILE A 137 180.100 -3.641 4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 137 179.338 -2.440 5.266 1.00 0.00 H new ATOM 0 HG23 ILE A 137 180.694 -3.428 5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 137 178.929 -7.932 5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 137 177.751 -6.934 6.330 1.00 0.00 H new ATOM 0 HD13 ILE A 137 177.885 -6.793 4.561 1.00 0.00 H new ATOM 891 N ASP A 138 178.473 -1.845 7.779 1.00 0.00 N ATOM 892 CA ASP A 138 177.899 -0.471 7.930 1.00 0.00 C ATOM 893 C ASP A 138 177.703 0.168 6.551 1.00 0.00 C ATOM 894 O ASP A 138 178.658 0.474 5.862 1.00 0.00 O ATOM 895 CB ASP A 138 178.939 0.309 8.739 1.00 0.00 C ATOM 896 CG ASP A 138 178.358 1.664 9.152 1.00 0.00 C ATOM 897 OD1 ASP A 138 177.564 2.203 8.398 1.00 0.00 O ATOM 898 OD2 ASP A 138 178.721 2.142 10.215 1.00 0.00 O ATOM 0 H ASP A 138 179.436 -1.950 8.098 1.00 0.00 H new ATOM 0 HA ASP A 138 176.926 -0.480 8.422 1.00 0.00 H new ATOM 0 HB2 ASP A 138 179.227 -0.259 9.623 1.00 0.00 H new ATOM 0 HB3 ASP A 138 179.842 0.455 8.146 1.00 0.00 H new ATOM 903 N TYR A 139 176.474 0.345 6.134 1.00 0.00 N ATOM 904 CA TYR A 139 176.211 0.935 4.783 1.00 0.00 C ATOM 905 C TYR A 139 176.746 2.371 4.671 1.00 0.00 C ATOM 906 O TYR A 139 177.121 2.808 3.599 1.00 0.00 O ATOM 907 CB TYR A 139 174.682 0.897 4.608 1.00 0.00 C ATOM 908 CG TYR A 139 173.990 1.866 5.542 1.00 0.00 C ATOM 909 CD1 TYR A 139 173.597 1.452 6.817 1.00 0.00 C ATOM 910 CD2 TYR A 139 173.730 3.176 5.120 1.00 0.00 C ATOM 911 CE1 TYR A 139 172.946 2.345 7.673 1.00 0.00 C ATOM 912 CE2 TYR A 139 173.077 4.070 5.975 1.00 0.00 C ATOM 913 CZ TYR A 139 172.685 3.655 7.253 1.00 0.00 C ATOM 914 OH TYR A 139 172.040 4.536 8.097 1.00 0.00 O ATOM 0 H TYR A 139 175.640 0.106 6.671 1.00 0.00 H new ATOM 0 HA TYR A 139 176.723 0.372 4.002 1.00 0.00 H new ATOM 0 HB2 TYR A 139 174.427 1.140 3.576 1.00 0.00 H new ATOM 0 HB3 TYR A 139 174.319 -0.113 4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 139 173.796 0.441 7.142 1.00 0.00 H new ATOM 0 HD2 TYR A 139 174.034 3.496 4.134 1.00 0.00 H new ATOM 0 HE1 TYR A 139 172.644 2.024 8.659 1.00 0.00 H new ATOM 0 HE2 TYR A 139 172.875 5.080 5.649 1.00 0.00 H new ATOM 0 HH TYR A 139 172.250 4.311 9.027 1.00 0.00 H new ATOM 924 N LYS A 140 176.766 3.111 5.754 1.00 0.00 N ATOM 925 CA LYS A 140 177.258 4.521 5.676 1.00 0.00 C ATOM 926 C LYS A 140 178.773 4.548 5.465 1.00 0.00 C ATOM 927 O LYS A 140 179.309 5.435 4.829 1.00 0.00 O ATOM 928 CB LYS A 140 176.903 5.159 7.022 1.00 0.00 C ATOM 929 CG LYS A 140 175.435 5.593 7.025 1.00 0.00 C ATOM 930 CD LYS A 140 175.298 6.938 7.744 1.00 0.00 C ATOM 931 CE LYS A 140 173.835 7.169 8.124 1.00 0.00 C ATOM 932 NZ LYS A 140 173.846 8.404 8.959 1.00 0.00 N ATOM 0 H LYS A 140 176.466 2.803 6.679 1.00 0.00 H new ATOM 0 HA LYS A 140 176.806 5.056 4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 140 177.082 4.449 7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 140 177.546 6.020 7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 140 175.068 5.677 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 140 174.824 4.840 7.522 1.00 0.00 H new ATOM 0 HD2 LYS A 140 175.923 6.950 8.637 1.00 0.00 H new ATOM 0 HD3 LYS A 140 175.649 7.744 7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 140 173.212 7.296 7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 140 173.432 6.321 8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 172.876 8.629 9.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 174.441 8.251 9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 174.228 9.195 8.403 1.00 0.00 H new ATOM 946 N LYS A 141 179.463 3.589 6.024 1.00 0.00 N ATOM 947 CA LYS A 141 180.951 3.549 5.895 1.00 0.00 C ATOM 948 C LYS A 141 181.381 3.152 4.480 1.00 0.00 C ATOM 949 O LYS A 141 182.275 3.748 3.908 1.00 0.00 O ATOM 950 CB LYS A 141 181.412 2.496 6.904 1.00 0.00 C ATOM 951 CG LYS A 141 181.190 3.019 8.325 1.00 0.00 C ATOM 952 CD LYS A 141 182.264 4.056 8.662 1.00 0.00 C ATOM 953 CE LYS A 141 182.034 4.589 10.078 1.00 0.00 C ATOM 954 NZ LYS A 141 182.861 3.717 10.956 1.00 0.00 N ATOM 0 H LYS A 141 179.058 2.827 6.568 1.00 0.00 H new ATOM 0 HA LYS A 141 181.391 4.528 6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 141 180.859 1.568 6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 141 182.466 2.267 6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 141 180.199 3.466 8.409 1.00 0.00 H new ATOM 0 HG3 LYS A 141 181.229 2.195 9.037 1.00 0.00 H new ATOM 0 HD2 LYS A 141 183.254 3.607 8.588 1.00 0.00 H new ATOM 0 HD3 LYS A 141 182.231 4.875 7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 141 182.336 5.633 10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 141 180.980 4.540 10.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 182.756 4.021 11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 182.546 2.730 10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 183.860 3.790 10.676 1.00 0.00 H new ATOM 968 N PHE A 142 180.777 2.128 3.926 1.00 0.00 N ATOM 969 CA PHE A 142 181.185 1.668 2.563 1.00 0.00 C ATOM 970 C PHE A 142 180.748 2.664 1.485 1.00 0.00 C ATOM 971 O PHE A 142 181.388 2.782 0.459 1.00 0.00 O ATOM 972 CB PHE A 142 180.512 0.307 2.361 1.00 0.00 C ATOM 973 CG PHE A 142 181.070 -0.374 1.127 1.00 0.00 C ATOM 974 CD1 PHE A 142 182.457 -0.462 0.936 1.00 0.00 C ATOM 975 CD2 PHE A 142 180.200 -0.926 0.177 1.00 0.00 C ATOM 976 CE1 PHE A 142 182.970 -1.099 -0.200 1.00 0.00 C ATOM 977 CE2 PHE A 142 180.716 -1.566 -0.960 1.00 0.00 C ATOM 978 CZ PHE A 142 182.101 -1.651 -1.147 1.00 0.00 C ATOM 0 H PHE A 142 180.023 1.594 4.357 1.00 0.00 H new ATOM 0 HA PHE A 142 182.269 1.592 2.481 1.00 0.00 H new ATOM 0 HB2 PHE A 142 180.675 -0.321 3.237 1.00 0.00 H new ATOM 0 HB3 PHE A 142 179.435 0.437 2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 142 183.130 -0.038 1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 142 179.132 -0.859 0.320 1.00 0.00 H new ATOM 0 HE1 PHE A 142 184.038 -1.164 -0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 142 180.045 -1.993 -1.691 1.00 0.00 H new ATOM 0 HZ PHE A 142 182.498 -2.143 -2.023 1.00 0.00 H new ATOM 988 N ILE A 143 179.676 3.387 1.703 1.00 0.00 N ATOM 989 CA ILE A 143 179.220 4.375 0.678 1.00 0.00 C ATOM 990 C ILE A 143 180.060 5.659 0.762 1.00 0.00 C ATOM 991 O ILE A 143 180.496 6.179 -0.249 1.00 0.00 O ATOM 992 CB ILE A 143 177.729 4.628 0.977 1.00 0.00 C ATOM 993 CG1 ILE A 143 177.111 5.453 -0.161 1.00 0.00 C ATOM 994 CG2 ILE A 143 177.557 5.377 2.305 1.00 0.00 C ATOM 995 CD1 ILE A 143 176.294 4.536 -1.075 1.00 0.00 C ATOM 0 H ILE A 143 179.100 3.335 2.543 1.00 0.00 H new ATOM 0 HA ILE A 143 179.346 4.006 -0.340 1.00 0.00 H new ATOM 0 HB ILE A 143 177.223 3.666 1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 143 176.473 6.236 0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 143 177.896 5.948 -0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 143 176.497 5.544 2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 143 177.981 4.784 3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 143 178.071 6.337 2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 143 175.856 5.123 -1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 143 176.944 3.769 -1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 143 175.499 4.062 -0.499 1.00 0.00 H new ATOM 1007 N GLU A 144 180.308 6.165 1.945 1.00 0.00 N ATOM 1008 CA GLU A 144 181.141 7.404 2.072 1.00 0.00 C ATOM 1009 C GLU A 144 182.551 7.140 1.536 1.00 0.00 C ATOM 1010 O GLU A 144 183.221 8.048 1.080 1.00 0.00 O ATOM 1011 CB GLU A 144 181.189 7.709 3.570 1.00 0.00 C ATOM 1012 CG GLU A 144 179.809 8.178 4.041 1.00 0.00 C ATOM 1013 CD GLU A 144 179.829 8.432 5.554 1.00 0.00 C ATOM 1014 OE1 GLU A 144 180.671 7.859 6.227 1.00 0.00 O ATOM 1015 OE2 GLU A 144 178.995 9.194 6.015 1.00 0.00 O ATOM 0 H GLU A 144 179.972 5.776 2.826 1.00 0.00 H new ATOM 0 HA GLU A 144 180.728 8.238 1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 144 181.491 6.820 4.123 1.00 0.00 H new ATOM 0 HB3 GLU A 144 181.934 8.478 3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 144 179.527 9.090 3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 144 179.058 7.425 3.800 1.00 0.00 H new ATOM 1022 N ASP A 145 182.997 5.909 1.563 1.00 0.00 N ATOM 1023 CA ASP A 145 184.355 5.601 1.023 1.00 0.00 C ATOM 1024 C ASP A 145 184.272 5.319 -0.487 1.00 0.00 C ATOM 1025 O ASP A 145 185.279 5.318 -1.171 1.00 0.00 O ATOM 1026 CB ASP A 145 184.855 4.382 1.801 1.00 0.00 C ATOM 1027 CG ASP A 145 186.268 4.024 1.337 1.00 0.00 C ATOM 1028 OD1 ASP A 145 186.404 3.560 0.217 1.00 0.00 O ATOM 1029 OD2 ASP A 145 187.190 4.219 2.112 1.00 0.00 O ATOM 0 H ASP A 145 182.483 5.109 1.933 1.00 0.00 H new ATOM 0 HA ASP A 145 185.043 6.438 1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 145 184.855 4.595 2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 145 184.184 3.537 1.644 1.00 0.00 H new ATOM 1034 N VAL A 146 183.086 5.133 -1.020 1.00 0.00 N ATOM 1035 CA VAL A 146 182.947 4.914 -2.491 1.00 0.00 C ATOM 1036 C VAL A 146 182.608 6.265 -3.138 1.00 0.00 C ATOM 1037 O VAL A 146 183.130 6.627 -4.175 1.00 0.00 O ATOM 1038 CB VAL A 146 181.801 3.902 -2.641 1.00 0.00 C ATOM 1039 CG1 VAL A 146 181.406 3.759 -4.117 1.00 0.00 C ATOM 1040 CG2 VAL A 146 182.263 2.541 -2.117 1.00 0.00 C ATOM 0 H VAL A 146 182.210 5.124 -0.497 1.00 0.00 H new ATOM 0 HA VAL A 146 183.849 4.535 -2.972 1.00 0.00 H new ATOM 0 HB VAL A 146 180.940 4.255 -2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 146 180.593 3.039 -4.208 1.00 0.00 H new ATOM 0 HG12 VAL A 146 181.080 4.725 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 146 182.265 3.411 -4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 146 181.454 1.818 -2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 146 183.127 2.204 -2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 146 182.538 2.630 -1.066 1.00 0.00 H new ATOM 1050 N LEU A 147 181.741 7.013 -2.504 1.00 0.00 N ATOM 1051 CA LEU A 147 181.350 8.358 -3.029 1.00 0.00 C ATOM 1052 C LEU A 147 182.575 9.264 -3.165 1.00 0.00 C ATOM 1053 O LEU A 147 182.619 10.148 -3.998 1.00 0.00 O ATOM 1054 CB LEU A 147 180.394 8.931 -1.981 1.00 0.00 C ATOM 1055 CG LEU A 147 179.315 9.764 -2.675 1.00 0.00 C ATOM 1056 CD1 LEU A 147 178.243 8.838 -3.248 1.00 0.00 C ATOM 1057 CD2 LEU A 147 178.677 10.715 -1.658 1.00 0.00 C ATOM 0 H LEU A 147 181.281 6.746 -1.634 1.00 0.00 H new ATOM 0 HA LEU A 147 180.894 8.287 -4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 147 179.934 8.123 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 147 180.944 9.548 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 147 179.764 10.341 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 147 177.475 9.433 -3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 147 178.697 8.159 -3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 147 177.792 8.261 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 147 177.907 11.310 -2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 147 178.228 10.136 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 147 179.441 11.376 -1.249 1.00 0.00 H new