USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 476 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 51 THR OG1 : rot 80:sc= 0.755 USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= -0.0645 USER MOD Set 2.1: A 8 ASN : amide:sc= -0.166 K(o=-0.62,f=-1.7) USER MOD Set 2.2: A 11 GLN :FLIP amide:sc= -0.452 F(o=-1.5,f=-0.62) USER MOD Single : A 1 THR N :NH3+ -140:sc= 0.0498 (180deg=-0.137) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.041 USER MOD Single : A 2 THR OG1 : rot -150:sc= -0.066 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0953) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0471) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -168:sc=-0.00307 (180deg=-0.105) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0134) USER MOD Single : A 35 ASN : amide:sc= -0.235 X(o=-0.23,f=-0.23) USER MOD Single : A 37 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0288) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0813 USER MOD Single : A 44 THR OG1 : rot 84:sc= 1.13 USER MOD Single : A 46 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.536) USER MOD Single : A 53 THR OG1 : rot 12:sc= 0.963 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 2.717 6.523 15.013 1.00 0.00 N ATOM 2 CA THR A 1 1.689 7.188 14.168 1.00 0.00 C ATOM 3 C THR A 1 2.251 8.439 13.506 1.00 0.00 C ATOM 4 O THR A 1 2.929 9.244 14.133 1.00 0.00 O ATOM 5 CB THR A 1 0.495 7.553 15.053 1.00 0.00 C ATOM 6 OG1 THR A 1 0.919 8.291 16.190 1.00 0.00 O ATOM 7 CG2 THR A 1 -0.271 6.348 15.554 1.00 0.00 C ATOM 0 H1 THR A 1 2.644 5.492 14.901 1.00 0.00 H new ATOM 0 H2 THR A 1 3.664 6.837 14.719 1.00 0.00 H new ATOM 0 H3 THR A 1 2.563 6.775 16.010 1.00 0.00 H new ATOM 0 HA THR A 1 1.378 6.506 13.377 1.00 0.00 H new ATOM 0 HB THR A 1 -0.163 8.145 14.417 1.00 0.00 H new ATOM 0 HG1 THR A 1 0.141 8.516 16.742 1.00 0.00 H new ATOM 0 HG21 THR A 1 -1.104 6.679 16.175 1.00 0.00 H new ATOM 0 HG22 THR A 1 -0.654 5.781 14.705 1.00 0.00 H new ATOM 0 HG23 THR A 1 0.392 5.715 16.144 1.00 0.00 H new ATOM 17 N THR A 2 1.958 8.592 12.210 1.00 0.00 N ATOM 18 CA THR A 2 2.435 9.737 11.458 1.00 0.00 C ATOM 19 C THR A 2 1.264 10.600 10.983 1.00 0.00 C ATOM 20 O THR A 2 1.215 11.803 11.258 1.00 0.00 O ATOM 21 CB THR A 2 3.262 9.278 10.256 1.00 0.00 C ATOM 22 OG1 THR A 2 2.532 8.353 9.471 1.00 0.00 O ATOM 23 CG2 THR A 2 4.570 8.637 10.639 1.00 0.00 C ATOM 0 H THR A 2 1.395 7.935 11.670 1.00 0.00 H new ATOM 0 HA THR A 2 3.065 10.335 12.116 1.00 0.00 H new ATOM 0 HB THR A 2 3.481 10.184 9.691 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.153 7.733 9.034 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.105 8.336 9.738 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.175 9.351 11.199 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.378 7.760 11.258 1.00 0.00 H new ATOM 31 N TYR A 3 0.327 9.984 10.278 1.00 0.00 N ATOM 32 CA TYR A 3 -0.839 10.685 9.768 1.00 0.00 C ATOM 33 C TYR A 3 -0.429 11.848 8.859 1.00 0.00 C ATOM 34 O TYR A 3 -1.200 12.784 8.645 1.00 0.00 O ATOM 35 CB TYR A 3 -1.690 11.214 10.926 1.00 0.00 C ATOM 36 CG TYR A 3 -3.145 10.811 10.844 1.00 0.00 C ATOM 37 CD1 TYR A 3 -4.055 11.584 10.132 1.00 0.00 C ATOM 38 CD2 TYR A 3 -3.607 9.666 11.484 1.00 0.00 C ATOM 39 CE1 TYR A 3 -5.387 11.216 10.050 1.00 0.00 C ATOM 40 CE2 TYR A 3 -4.939 9.298 11.402 1.00 0.00 C ATOM 41 CZ TYR A 3 -5.821 10.077 10.693 1.00 0.00 C ATOM 42 OH TYR A 3 -7.148 9.709 10.610 1.00 0.00 O ATOM 0 H TYR A 3 0.354 8.991 10.045 1.00 0.00 H new ATOM 0 HA TYR A 3 -1.425 9.976 9.183 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -1.274 10.852 11.866 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -1.624 12.302 10.947 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.719 12.483 9.637 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.919 9.057 12.051 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -6.083 11.819 9.485 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -5.284 8.401 11.894 1.00 0.00 H new ATOM 0 HH TYR A 3 -7.291 8.883 11.117 1.00 0.00 H new ATOM 52 N LYS A 4 0.786 11.771 8.320 1.00 0.00 N ATOM 53 CA LYS A 4 1.294 12.813 7.438 1.00 0.00 C ATOM 54 C LYS A 4 2.527 12.331 6.685 1.00 0.00 C ATOM 55 O LYS A 4 3.660 12.590 7.087 1.00 0.00 O ATOM 56 CB LYS A 4 1.632 14.078 8.236 1.00 0.00 C ATOM 57 CG LYS A 4 1.950 15.282 7.361 1.00 0.00 C ATOM 58 CD LYS A 4 3.377 15.769 7.579 1.00 0.00 C ATOM 59 CE LYS A 4 4.042 16.139 6.267 1.00 0.00 C ATOM 60 NZ LYS A 4 3.267 17.170 5.517 1.00 0.00 N ATOM 0 H LYS A 4 1.433 10.999 8.479 1.00 0.00 H new ATOM 0 HA LYS A 4 0.514 13.050 6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.792 14.323 8.886 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.486 13.873 8.882 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.811 15.018 6.313 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.251 16.089 7.582 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.371 16.634 8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.957 14.991 8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.047 16.513 6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.149 15.246 5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.834 17.517 4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.385 16.750 5.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.041 17.963 6.150 1.00 0.00 H new ATOM 74 N LEU A 5 2.298 11.629 5.582 1.00 0.00 N ATOM 75 CA LEU A 5 3.391 11.105 4.767 1.00 0.00 C ATOM 76 C LEU A 5 3.336 11.675 3.356 1.00 0.00 C ATOM 77 O LEU A 5 2.357 12.314 2.972 1.00 0.00 O ATOM 78 CB LEU A 5 3.332 9.573 4.714 1.00 0.00 C ATOM 79 CG LEU A 5 4.062 8.863 5.848 1.00 0.00 C ATOM 80 CD1 LEU A 5 3.306 7.612 6.267 1.00 0.00 C ATOM 81 CD2 LEU A 5 5.483 8.509 5.431 1.00 0.00 C ATOM 0 H LEU A 5 1.366 11.409 5.230 1.00 0.00 H new ATOM 0 HA LEU A 5 4.331 11.408 5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.287 9.264 4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.754 9.240 3.765 1.00 0.00 H new ATOM 0 HG LEU A 5 4.111 9.540 6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.841 7.118 7.078 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.307 7.887 6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.226 6.933 5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.988 8.003 6.254 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.454 7.851 4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.025 9.420 5.178 1.00 0.00 H new ATOM 93 N ILE A 6 4.394 11.445 2.586 1.00 0.00 N ATOM 94 CA ILE A 6 4.467 11.934 1.216 1.00 0.00 C ATOM 95 C ILE A 6 3.622 11.081 0.280 1.00 0.00 C ATOM 96 O ILE A 6 3.074 11.567 -0.705 1.00 0.00 O ATOM 97 CB ILE A 6 5.918 11.962 0.702 1.00 0.00 C ATOM 98 CG1 ILE A 6 6.834 12.640 1.723 1.00 0.00 C ATOM 99 CG2 ILE A 6 5.993 12.675 -0.641 1.00 0.00 C ATOM 100 CD1 ILE A 6 8.302 12.357 1.498 1.00 0.00 C ATOM 0 H ILE A 6 5.215 10.921 2.890 1.00 0.00 H new ATOM 0 HA ILE A 6 4.076 12.951 1.225 1.00 0.00 H new ATOM 0 HB ILE A 6 6.257 10.935 0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.670 13.717 1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.557 12.308 2.724 1.00 0.00 H new ATOM 0 HG21 ILE A 6 7.026 12.686 -0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.370 12.151 -1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.637 13.699 -0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.892 12.869 2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.480 11.284 1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.594 12.714 0.510 1.00 0.00 H new ATOM 112 N LEU A 7 3.522 9.793 0.595 1.00 0.00 N ATOM 113 CA LEU A 7 2.745 8.864 -0.219 1.00 0.00 C ATOM 114 C LEU A 7 2.085 7.788 0.647 1.00 0.00 C ATOM 115 O LEU A 7 0.925 7.437 0.427 1.00 0.00 O ATOM 116 CB LEU A 7 3.638 8.200 -1.270 1.00 0.00 C ATOM 117 CG LEU A 7 4.264 9.155 -2.286 1.00 0.00 C ATOM 118 CD1 LEU A 7 5.718 9.435 -1.942 1.00 0.00 C ATOM 119 CD2 LEU A 7 4.145 8.598 -3.697 1.00 0.00 C ATOM 0 H LEU A 7 3.969 9.369 1.408 1.00 0.00 H new ATOM 0 HA LEU A 7 1.963 9.435 -0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.437 7.664 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.049 7.457 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 7 3.717 10.097 -2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.142 10.117 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.777 9.888 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.280 8.501 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.597 9.295 -4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.659 7.639 -3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.093 8.461 -3.947 1.00 0.00 H new ATOM 131 N ASN A 8 2.838 7.279 1.621 1.00 0.00 N ATOM 132 CA ASN A 8 2.358 6.233 2.534 1.00 0.00 C ATOM 133 C ASN A 8 2.845 4.858 2.084 1.00 0.00 C ATOM 134 O ASN A 8 2.569 3.846 2.729 1.00 0.00 O ATOM 135 CB ASN A 8 0.828 6.233 2.647 1.00 0.00 C ATOM 136 CG ASN A 8 0.338 5.528 3.896 1.00 0.00 C ATOM 137 OD1 ASN A 8 -0.062 4.365 3.850 1.00 0.00 O ATOM 138 ND2 ASN A 8 0.370 6.230 5.022 1.00 0.00 N ATOM 0 H ASN A 8 3.797 7.577 1.802 1.00 0.00 H new ATOM 0 HA ASN A 8 2.769 6.454 3.519 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.467 7.262 2.649 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.402 5.748 1.769 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.055 5.808 5.895 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.710 7.192 5.014 1.00 0.00 H new ATOM 145 N LEU A 9 3.583 4.836 0.979 1.00 0.00 N ATOM 146 CA LEU A 9 4.129 3.604 0.430 1.00 0.00 C ATOM 147 C LEU A 9 4.847 2.789 1.504 1.00 0.00 C ATOM 148 O LEU A 9 4.630 1.584 1.633 1.00 0.00 O ATOM 149 CB LEU A 9 5.099 3.960 -0.690 1.00 0.00 C ATOM 150 CG LEU A 9 5.861 2.787 -1.299 1.00 0.00 C ATOM 151 CD1 LEU A 9 6.133 3.050 -2.770 1.00 0.00 C ATOM 152 CD2 LEU A 9 7.159 2.546 -0.545 1.00 0.00 C ATOM 0 H LEU A 9 3.818 5.670 0.441 1.00 0.00 H new ATOM 0 HA LEU A 9 3.312 2.994 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.543 4.460 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.822 4.679 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 9 5.249 1.889 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.677 2.207 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.188 3.176 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.729 3.956 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.689 1.706 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.782 3.439 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.937 2.320 0.498 1.00 0.00 H new ATOM 164 N LYS A 10 5.699 3.461 2.270 1.00 0.00 N ATOM 165 CA LYS A 10 6.455 2.816 3.336 1.00 0.00 C ATOM 166 C LYS A 10 5.528 2.032 4.257 1.00 0.00 C ATOM 167 O LYS A 10 5.906 0.996 4.802 1.00 0.00 O ATOM 168 CB LYS A 10 7.228 3.860 4.143 1.00 0.00 C ATOM 169 CG LYS A 10 8.629 4.125 3.613 1.00 0.00 C ATOM 170 CD LYS A 10 9.626 3.098 4.130 1.00 0.00 C ATOM 171 CE LYS A 10 10.791 3.761 4.848 1.00 0.00 C ATOM 172 NZ LYS A 10 10.600 3.773 6.324 1.00 0.00 N ATOM 0 H LYS A 10 5.884 4.459 2.171 1.00 0.00 H new ATOM 0 HA LYS A 10 7.161 2.122 2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.667 4.794 4.145 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.297 3.528 5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.616 4.105 2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.948 5.124 3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.122 2.411 4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 10 10.002 2.504 3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 10 11.714 3.234 4.606 1.00 0.00 H new ATOM 0 HE3 LYS A 10 10.904 4.784 4.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 11.416 4.233 6.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.733 4.298 6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.518 2.796 6.671 1.00 0.00 H new ATOM 186 N GLN A 11 4.311 2.535 4.420 1.00 0.00 N ATOM 187 CA GLN A 11 3.325 1.887 5.271 1.00 0.00 C ATOM 188 C GLN A 11 2.497 0.886 4.477 1.00 0.00 C ATOM 189 O GLN A 11 2.023 -0.114 5.017 1.00 0.00 O ATOM 190 CB GLN A 11 2.413 2.933 5.911 1.00 0.00 C ATOM 191 CG GLN A 11 1.737 2.457 7.185 1.00 0.00 C ATOM 192 CD GLN A 11 0.318 1.978 6.948 1.00 0.00 C ATOM 193 OE1 GLN A 11 0.074 0.698 7.201 1.00 0.00 O flip ATOM 194 NE2 GLN A 11 -0.551 2.751 6.542 1.00 0.00 N flip ATOM 0 H GLN A 11 3.984 3.391 3.973 1.00 0.00 H new ATOM 0 HA GLN A 11 3.854 1.347 6.057 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.998 3.825 6.133 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.648 3.224 5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.322 1.647 7.622 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.726 3.270 7.911 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.320 3.728 6.360 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.501 2.414 6.388 1.00 0.00 H new ATOM 203 N ALA A 12 2.335 1.153 3.189 1.00 0.00 N ATOM 204 CA ALA A 12 1.577 0.267 2.321 1.00 0.00 C ATOM 205 C ALA A 12 2.266 -1.085 2.224 1.00 0.00 C ATOM 206 O ALA A 12 1.614 -2.127 2.182 1.00 0.00 O ATOM 207 CB ALA A 12 1.414 0.886 0.940 1.00 0.00 C ATOM 0 H ALA A 12 2.718 1.976 2.723 1.00 0.00 H new ATOM 0 HA ALA A 12 0.585 0.122 2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.844 0.209 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.885 1.835 1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.396 1.058 0.500 1.00 0.00 H new ATOM 213 N LYS A 13 3.596 -1.056 2.196 1.00 0.00 N ATOM 214 CA LYS A 13 4.382 -2.279 2.112 1.00 0.00 C ATOM 215 C LYS A 13 4.608 -2.876 3.498 1.00 0.00 C ATOM 216 O LYS A 13 4.622 -4.096 3.658 1.00 0.00 O ATOM 217 CB LYS A 13 5.705 -2.030 1.367 1.00 0.00 C ATOM 218 CG LYS A 13 6.907 -1.699 2.242 1.00 0.00 C ATOM 219 CD LYS A 13 7.254 -0.228 2.134 1.00 0.00 C ATOM 220 CE LYS A 13 8.737 0.016 2.366 1.00 0.00 C ATOM 221 NZ LYS A 13 9.491 0.112 1.085 1.00 0.00 N ATOM 0 H LYS A 13 4.149 -0.200 2.230 1.00 0.00 H new ATOM 0 HA LYS A 13 3.820 -3.012 1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.941 -2.917 0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.555 -1.211 0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.689 -1.952 3.280 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.762 -2.303 1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.974 0.141 1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.673 0.338 2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.869 0.936 2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.148 -0.793 2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.510 0.159 1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.291 -0.725 0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.198 0.969 0.573 1.00 0.00 H new ATOM 235 N GLU A 14 4.771 -2.017 4.506 1.00 0.00 N ATOM 236 CA GLU A 14 4.976 -2.492 5.870 1.00 0.00 C ATOM 237 C GLU A 14 3.760 -3.300 6.312 1.00 0.00 C ATOM 238 O GLU A 14 3.887 -4.418 6.819 1.00 0.00 O ATOM 239 CB GLU A 14 5.255 -1.317 6.824 1.00 0.00 C ATOM 240 CG GLU A 14 4.021 -0.713 7.487 1.00 0.00 C ATOM 241 CD GLU A 14 3.528 -1.531 8.663 1.00 0.00 C ATOM 242 OE1 GLU A 14 4.315 -1.749 9.608 1.00 0.00 O ATOM 243 OE2 GLU A 14 2.353 -1.958 8.640 1.00 0.00 O ATOM 0 H GLU A 14 4.765 -1.002 4.404 1.00 0.00 H new ATOM 0 HA GLU A 14 5.852 -3.140 5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.937 -1.656 7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.770 -0.533 6.269 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.253 0.297 7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.223 -0.627 6.750 1.00 0.00 H new ATOM 250 N GLU A 15 2.577 -2.746 6.071 1.00 0.00 N ATOM 251 CA GLU A 15 1.340 -3.432 6.402 1.00 0.00 C ATOM 252 C GLU A 15 1.219 -4.668 5.531 1.00 0.00 C ATOM 253 O GLU A 15 0.703 -5.701 5.954 1.00 0.00 O ATOM 254 CB GLU A 15 0.138 -2.520 6.168 1.00 0.00 C ATOM 255 CG GLU A 15 -1.185 -3.149 6.575 1.00 0.00 C ATOM 256 CD GLU A 15 -1.664 -2.675 7.933 1.00 0.00 C ATOM 257 OE1 GLU A 15 -1.075 -3.096 8.950 1.00 0.00 O ATOM 258 OE2 GLU A 15 -2.627 -1.881 7.979 1.00 0.00 O ATOM 0 H GLU A 15 2.452 -1.826 5.649 1.00 0.00 H new ATOM 0 HA GLU A 15 1.357 -3.713 7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.279 -1.595 6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.095 -2.252 5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.940 -2.914 5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.078 -4.234 6.590 1.00 0.00 H new ATOM 265 N ALA A 16 1.716 -4.544 4.305 1.00 0.00 N ATOM 266 CA ALA A 16 1.689 -5.638 3.357 1.00 0.00 C ATOM 267 C ALA A 16 2.622 -6.752 3.803 1.00 0.00 C ATOM 268 O ALA A 16 2.317 -7.934 3.638 1.00 0.00 O ATOM 269 CB ALA A 16 2.069 -5.143 1.974 1.00 0.00 C ATOM 0 H ALA A 16 2.143 -3.689 3.949 1.00 0.00 H new ATOM 0 HA ALA A 16 0.676 -6.038 3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.045 -5.975 1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.362 -4.377 1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.073 -4.721 2.002 1.00 0.00 H new ATOM 275 N ILE A 17 3.760 -6.372 4.385 1.00 0.00 N ATOM 276 CA ILE A 17 4.724 -7.348 4.867 1.00 0.00 C ATOM 277 C ILE A 17 4.061 -8.261 5.889 1.00 0.00 C ATOM 278 O ILE A 17 4.330 -9.459 5.937 1.00 0.00 O ATOM 279 CB ILE A 17 5.981 -6.668 5.475 1.00 0.00 C ATOM 280 CG1 ILE A 17 7.231 -7.488 5.147 1.00 0.00 C ATOM 281 CG2 ILE A 17 5.851 -6.482 6.982 1.00 0.00 C ATOM 282 CD1 ILE A 17 7.839 -7.153 3.803 1.00 0.00 C ATOM 0 H ILE A 17 4.031 -5.400 4.531 1.00 0.00 H new ATOM 0 HA ILE A 17 5.060 -7.941 4.016 1.00 0.00 H new ATOM 0 HB ILE A 17 6.072 -5.677 5.029 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.977 -7.325 5.925 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.976 -8.548 5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.751 -6.003 7.368 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.985 -5.856 7.198 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.724 -7.454 7.459 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.721 -7.772 3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.109 -7.343 3.016 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.126 -6.102 3.785 1.00 0.00 H new ATOM 294 N LYS A 18 3.163 -7.683 6.682 1.00 0.00 N ATOM 295 CA LYS A 18 2.427 -8.444 7.680 1.00 0.00 C ATOM 296 C LYS A 18 1.352 -9.282 6.996 1.00 0.00 C ATOM 297 O LYS A 18 1.032 -10.386 7.433 1.00 0.00 O ATOM 298 CB LYS A 18 1.793 -7.506 8.709 1.00 0.00 C ATOM 299 CG LYS A 18 2.786 -6.941 9.711 1.00 0.00 C ATOM 300 CD LYS A 18 2.144 -6.729 11.072 1.00 0.00 C ATOM 301 CE LYS A 18 3.184 -6.696 12.175 1.00 0.00 C ATOM 302 NZ LYS A 18 2.756 -5.835 13.319 1.00 0.00 N ATOM 0 H LYS A 18 2.929 -6.691 6.651 1.00 0.00 H new ATOM 0 HA LYS A 18 3.119 -9.106 8.201 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.308 -6.681 8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.013 -8.045 9.247 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.633 -7.621 9.809 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.179 -5.994 9.341 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.584 -5.794 11.070 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.429 -7.528 11.267 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.367 -7.710 12.532 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.127 -6.324 11.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.494 -5.839 14.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.606 -4.862 12.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.870 -6.204 13.719 1.00 0.00 H new ATOM 316 N GLU A 19 0.810 -8.741 5.908 1.00 0.00 N ATOM 317 CA GLU A 19 -0.221 -9.421 5.134 1.00 0.00 C ATOM 318 C GLU A 19 0.313 -10.726 4.557 1.00 0.00 C ATOM 319 O GLU A 19 -0.287 -11.786 4.732 1.00 0.00 O ATOM 320 CB GLU A 19 -0.707 -8.507 4.001 1.00 0.00 C ATOM 321 CG GLU A 19 -2.149 -8.052 4.145 1.00 0.00 C ATOM 322 CD GLU A 19 -2.350 -7.112 5.316 1.00 0.00 C ATOM 323 OE1 GLU A 19 -2.323 -7.588 6.471 1.00 0.00 O ATOM 324 OE2 GLU A 19 -2.537 -5.900 5.081 1.00 0.00 O ATOM 0 H GLU A 19 1.072 -7.826 5.541 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.057 -9.653 5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.063 -7.629 3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.596 -9.032 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.462 -7.555 3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.790 -8.924 4.270 1.00 0.00 H new ATOM 331 N LEU A 20 1.446 -10.641 3.869 1.00 0.00 N ATOM 332 CA LEU A 20 2.059 -11.820 3.268 1.00 0.00 C ATOM 333 C LEU A 20 2.620 -12.743 4.344 1.00 0.00 C ATOM 334 O LEU A 20 2.579 -13.965 4.207 1.00 0.00 O ATOM 335 CB LEU A 20 3.162 -11.412 2.287 1.00 0.00 C ATOM 336 CG LEU A 20 3.317 -12.325 1.063 1.00 0.00 C ATOM 337 CD1 LEU A 20 2.844 -11.619 -0.197 1.00 0.00 C ATOM 338 CD2 LEU A 20 4.763 -12.783 0.911 1.00 0.00 C ATOM 0 H LEU A 20 1.957 -9.772 3.714 1.00 0.00 H new ATOM 0 HA LEU A 20 1.289 -12.361 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.962 -10.398 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.111 -11.385 2.823 1.00 0.00 H new ATOM 0 HG LEU A 20 2.694 -13.206 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.963 -12.284 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.793 -11.349 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.436 -10.717 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.850 -13.429 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.409 -11.914 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.066 -13.334 1.801 1.00 0.00 H new ATOM 350 N VAL A 21 3.131 -12.155 5.424 1.00 0.00 N ATOM 351 CA VAL A 21 3.677 -12.940 6.524 1.00 0.00 C ATOM 352 C VAL A 21 2.573 -13.753 7.178 1.00 0.00 C ATOM 353 O VAL A 21 2.808 -14.854 7.676 1.00 0.00 O ATOM 354 CB VAL A 21 4.369 -12.047 7.580 1.00 0.00 C ATOM 355 CG1 VAL A 21 4.620 -12.816 8.871 1.00 0.00 C ATOM 356 CG2 VAL A 21 5.676 -11.494 7.030 1.00 0.00 C ATOM 0 H VAL A 21 3.177 -11.145 5.559 1.00 0.00 H new ATOM 0 HA VAL A 21 4.431 -13.610 6.110 1.00 0.00 H new ATOM 0 HB VAL A 21 3.702 -11.215 7.808 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.107 -12.163 9.595 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.670 -13.164 9.278 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.262 -13.673 8.665 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.152 -10.867 7.784 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.340 -12.319 6.772 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.473 -10.899 6.139 1.00 0.00 H new ATOM 366 N ASP A 22 1.363 -13.210 7.159 1.00 0.00 N ATOM 367 CA ASP A 22 0.223 -13.897 7.735 1.00 0.00 C ATOM 368 C ASP A 22 -0.361 -14.876 6.725 1.00 0.00 C ATOM 369 O ASP A 22 -0.777 -15.977 7.081 1.00 0.00 O ATOM 370 CB ASP A 22 -0.840 -12.893 8.187 1.00 0.00 C ATOM 371 CG ASP A 22 -0.984 -12.843 9.696 1.00 0.00 C ATOM 372 OD1 ASP A 22 -1.355 -13.876 10.290 1.00 0.00 O ATOM 373 OD2 ASP A 22 -0.726 -11.771 10.282 1.00 0.00 O ATOM 0 H ASP A 22 1.150 -12.299 6.752 1.00 0.00 H new ATOM 0 HA ASP A 22 0.557 -14.454 8.610 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.580 -11.901 7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.799 -13.158 7.742 1.00 0.00 H new ATOM 378 N ALA A 23 -0.377 -14.470 5.457 1.00 0.00 N ATOM 379 CA ALA A 23 -0.897 -15.321 4.394 1.00 0.00 C ATOM 380 C ALA A 23 0.106 -16.414 4.022 1.00 0.00 C ATOM 381 O ALA A 23 -0.248 -17.397 3.370 1.00 0.00 O ATOM 382 CB ALA A 23 -1.247 -14.484 3.173 1.00 0.00 C ATOM 0 H ALA A 23 -0.037 -13.561 5.144 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.802 -15.806 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.634 -15.132 2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.004 -13.747 3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.354 -13.972 2.815 1.00 0.00 H new ATOM 388 N GLY A 24 1.356 -16.240 4.457 1.00 0.00 N ATOM 389 CA GLY A 24 2.402 -17.216 4.184 1.00 0.00 C ATOM 390 C GLY A 24 2.364 -17.780 2.771 1.00 0.00 C ATOM 391 O GLY A 24 1.714 -18.797 2.523 1.00 0.00 O ATOM 0 H GLY A 24 1.664 -15.432 4.999 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.373 -16.751 4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.314 -18.037 4.895 1.00 0.00 H new ATOM 395 N ILE A 25 3.069 -17.130 1.846 1.00 0.00 N ATOM 396 CA ILE A 25 3.121 -17.591 0.457 1.00 0.00 C ATOM 397 C ILE A 25 4.392 -17.099 -0.234 1.00 0.00 C ATOM 398 O ILE A 25 5.338 -16.666 0.424 1.00 0.00 O ATOM 399 CB ILE A 25 1.884 -17.148 -0.370 1.00 0.00 C ATOM 400 CG1 ILE A 25 0.815 -16.499 0.514 1.00 0.00 C ATOM 401 CG2 ILE A 25 1.299 -18.339 -1.115 1.00 0.00 C ATOM 402 CD1 ILE A 25 1.230 -15.161 1.081 1.00 0.00 C ATOM 0 H ILE A 25 3.611 -16.286 2.031 1.00 0.00 H new ATOM 0 HA ILE A 25 3.122 -18.680 0.500 1.00 0.00 H new ATOM 0 HB ILE A 25 2.216 -16.400 -1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.097 -16.370 -0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.576 -17.174 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.432 -18.017 -1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.050 -18.752 -1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.995 -19.103 -0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.424 -14.761 1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.125 -15.286 1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.441 -14.470 0.265 1.00 0.00 H new ATOM 414 N ALA A 26 4.411 -17.178 -1.567 1.00 0.00 N ATOM 415 CA ALA A 26 5.568 -16.750 -2.351 1.00 0.00 C ATOM 416 C ALA A 26 6.115 -15.414 -1.870 1.00 0.00 C ATOM 417 O ALA A 26 5.633 -14.353 -2.271 1.00 0.00 O ATOM 418 CB ALA A 26 5.206 -16.664 -3.828 1.00 0.00 C ATOM 0 H ALA A 26 3.636 -17.535 -2.125 1.00 0.00 H new ATOM 0 HA ALA A 26 6.349 -17.498 -2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.078 -16.344 -4.398 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.881 -17.643 -4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.399 -15.943 -3.964 1.00 0.00 H new ATOM 424 N GLU A 27 7.131 -15.468 -1.015 1.00 0.00 N ATOM 425 CA GLU A 27 7.754 -14.257 -0.488 1.00 0.00 C ATOM 426 C GLU A 27 8.070 -13.278 -1.617 1.00 0.00 C ATOM 427 O GLU A 27 8.115 -12.067 -1.410 1.00 0.00 O ATOM 428 CB GLU A 27 9.029 -14.602 0.282 1.00 0.00 C ATOM 429 CG GLU A 27 8.794 -15.537 1.458 1.00 0.00 C ATOM 430 CD GLU A 27 9.977 -15.587 2.407 1.00 0.00 C ATOM 431 OE1 GLU A 27 11.127 -15.599 1.922 1.00 0.00 O ATOM 432 OE2 GLU A 27 9.751 -15.616 3.635 1.00 0.00 O ATOM 0 H GLU A 27 7.541 -16.337 -0.672 1.00 0.00 H new ATOM 0 HA GLU A 27 7.050 -13.782 0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.743 -15.063 -0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.485 -13.681 0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.908 -15.213 2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.589 -16.540 1.085 1.00 0.00 H new ATOM 439 N LYS A 28 8.277 -13.818 -2.816 1.00 0.00 N ATOM 440 CA LYS A 28 8.574 -13.006 -3.996 1.00 0.00 C ATOM 441 C LYS A 28 7.636 -11.799 -4.066 1.00 0.00 C ATOM 442 O LYS A 28 8.066 -10.666 -4.311 1.00 0.00 O ATOM 443 CB LYS A 28 8.445 -13.874 -5.262 1.00 0.00 C ATOM 444 CG LYS A 28 8.219 -13.099 -6.552 1.00 0.00 C ATOM 445 CD LYS A 28 9.533 -12.766 -7.241 1.00 0.00 C ATOM 446 CE LYS A 28 9.303 -12.204 -8.635 1.00 0.00 C ATOM 447 NZ LYS A 28 8.841 -13.251 -9.587 1.00 0.00 N ATOM 0 H LYS A 28 8.244 -14.821 -2.997 1.00 0.00 H new ATOM 0 HA LYS A 28 9.595 -12.632 -3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.350 -14.472 -5.369 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.618 -14.570 -5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.593 -13.685 -7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.678 -12.178 -6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.086 -12.042 -6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.149 -13.663 -7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.563 -11.405 -8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.227 -11.760 -9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.890 -12.883 -10.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.450 -14.090 -9.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.859 -13.513 -9.365 1.00 0.00 H new ATOM 461 N TYR A 29 6.352 -12.049 -3.840 1.00 0.00 N ATOM 462 CA TYR A 29 5.360 -10.988 -3.869 1.00 0.00 C ATOM 463 C TYR A 29 5.676 -9.943 -2.799 1.00 0.00 C ATOM 464 O TYR A 29 5.437 -8.744 -2.979 1.00 0.00 O ATOM 465 CB TYR A 29 3.959 -11.556 -3.673 1.00 0.00 C ATOM 466 CG TYR A 29 3.539 -12.519 -4.765 1.00 0.00 C ATOM 467 CD1 TYR A 29 3.283 -12.067 -6.053 1.00 0.00 C ATOM 468 CD2 TYR A 29 3.397 -13.879 -4.509 1.00 0.00 C ATOM 469 CE1 TYR A 29 2.900 -12.939 -7.054 1.00 0.00 C ATOM 470 CE2 TYR A 29 3.014 -14.756 -5.505 1.00 0.00 C ATOM 471 CZ TYR A 29 2.767 -14.281 -6.774 1.00 0.00 C ATOM 472 OH TYR A 29 2.384 -15.152 -7.769 1.00 0.00 O ATOM 0 H TYR A 29 5.977 -12.975 -3.635 1.00 0.00 H new ATOM 0 HA TYR A 29 5.394 -10.505 -4.846 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.914 -12.067 -2.711 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.245 -10.734 -3.630 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.385 -11.015 -6.276 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.589 -14.255 -3.515 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.706 -12.570 -8.050 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.909 -15.809 -5.290 1.00 0.00 H new ATOM 0 HH TYR A 29 2.338 -16.062 -7.408 1.00 0.00 H new ATOM 482 N ILE A 30 6.246 -10.407 -1.692 1.00 0.00 N ATOM 483 CA ILE A 30 6.628 -9.516 -0.610 1.00 0.00 C ATOM 484 C ILE A 30 7.676 -8.522 -1.107 1.00 0.00 C ATOM 485 O ILE A 30 7.797 -7.416 -0.584 1.00 0.00 O ATOM 486 CB ILE A 30 7.166 -10.302 0.615 1.00 0.00 C ATOM 487 CG1 ILE A 30 6.639 -9.684 1.911 1.00 0.00 C ATOM 488 CG2 ILE A 30 8.691 -10.353 0.632 1.00 0.00 C ATOM 489 CD1 ILE A 30 7.031 -10.455 3.151 1.00 0.00 C ATOM 0 H ILE A 30 6.452 -11.392 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 30 5.739 -8.974 -0.286 1.00 0.00 H new ATOM 0 HB ILE A 30 6.806 -11.328 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.012 -8.663 1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.552 -9.623 1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.027 -10.912 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.049 -10.844 -0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.088 -9.339 0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.623 -9.959 4.032 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.635 -11.469 3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.118 -10.494 3.227 1.00 0.00 H new ATOM 501 N LYS A 31 8.426 -8.931 -2.130 1.00 0.00 N ATOM 502 CA LYS A 31 9.453 -8.078 -2.707 1.00 0.00 C ATOM 503 C LYS A 31 8.823 -6.992 -3.575 1.00 0.00 C ATOM 504 O LYS A 31 9.310 -5.864 -3.610 1.00 0.00 O ATOM 505 CB LYS A 31 10.447 -8.901 -3.532 1.00 0.00 C ATOM 506 CG LYS A 31 11.538 -8.062 -4.182 1.00 0.00 C ATOM 507 CD LYS A 31 12.790 -8.014 -3.320 1.00 0.00 C ATOM 508 CE LYS A 31 13.754 -9.135 -3.677 1.00 0.00 C ATOM 509 NZ LYS A 31 14.499 -8.850 -4.933 1.00 0.00 N ATOM 0 H LYS A 31 8.339 -9.846 -2.572 1.00 0.00 H new ATOM 0 HA LYS A 31 9.994 -7.603 -1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.910 -9.649 -2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.904 -9.441 -4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.784 -8.476 -5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.170 -7.050 -4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.285 -7.052 -3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.513 -8.092 -2.269 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.462 -9.279 -2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.201 -10.068 -3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.758 -9.746 -5.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.899 -8.292 -5.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.361 -8.313 -4.711 1.00 0.00 H new ATOM 523 N LEU A 32 7.731 -7.327 -4.267 1.00 0.00 N ATOM 524 CA LEU A 32 7.057 -6.337 -5.113 1.00 0.00 C ATOM 525 C LEU A 32 6.601 -5.161 -4.264 1.00 0.00 C ATOM 526 O LEU A 32 6.621 -4.013 -4.705 1.00 0.00 O ATOM 527 CB LEU A 32 5.848 -6.924 -5.860 1.00 0.00 C ATOM 528 CG LEU A 32 5.809 -8.443 -5.962 1.00 0.00 C ATOM 529 CD1 LEU A 32 4.550 -8.900 -6.680 1.00 0.00 C ATOM 530 CD2 LEU A 32 7.052 -8.967 -6.665 1.00 0.00 C ATOM 0 H LEU A 32 7.302 -8.253 -4.261 1.00 0.00 H new ATOM 0 HA LEU A 32 7.779 -6.010 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.938 -6.588 -5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.831 -6.510 -6.868 1.00 0.00 H new ATOM 0 HG LEU A 32 5.792 -8.853 -4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.541 -9.988 -6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.673 -8.561 -6.128 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.531 -8.479 -7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.004 -10.054 -6.727 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.106 -8.548 -7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.939 -8.675 -6.102 1.00 0.00 H new ATOM 542 N ILE A 33 6.198 -5.463 -3.035 1.00 0.00 N ATOM 543 CA ILE A 33 5.746 -4.431 -2.107 1.00 0.00 C ATOM 544 C ILE A 33 6.904 -3.904 -1.274 1.00 0.00 C ATOM 545 O ILE A 33 7.065 -2.696 -1.106 1.00 0.00 O ATOM 546 CB ILE A 33 4.652 -4.942 -1.151 1.00 0.00 C ATOM 547 CG1 ILE A 33 4.925 -6.388 -0.743 1.00 0.00 C ATOM 548 CG2 ILE A 33 3.277 -4.809 -1.785 1.00 0.00 C ATOM 549 CD1 ILE A 33 3.969 -6.898 0.298 1.00 0.00 C ATOM 0 H ILE A 33 6.175 -6.411 -2.658 1.00 0.00 H new ATOM 0 HA ILE A 33 5.330 -3.633 -2.721 1.00 0.00 H new ATOM 0 HB ILE A 33 4.670 -4.326 -0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.866 -7.025 -1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.943 -6.465 -0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.520 -5.176 -1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.082 -3.761 -2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.242 -5.394 -2.704 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.216 -7.931 0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.045 -6.283 1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.951 -6.851 -0.089 1.00 0.00 H new ATOM 561 N ALA A 34 7.707 -4.822 -0.746 1.00 0.00 N ATOM 562 CA ALA A 34 8.847 -4.455 0.076 1.00 0.00 C ATOM 563 C ALA A 34 9.834 -3.595 -0.707 1.00 0.00 C ATOM 564 O ALA A 34 10.548 -2.772 -0.135 1.00 0.00 O ATOM 565 CB ALA A 34 9.538 -5.699 0.611 1.00 0.00 C ATOM 0 H ALA A 34 7.586 -5.827 -0.875 1.00 0.00 H new ATOM 0 HA ALA A 34 8.480 -3.868 0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.390 -5.406 1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.836 -6.274 1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.884 -6.310 -0.223 1.00 0.00 H new ATOM 571 N ASN A 35 9.870 -3.796 -2.022 1.00 0.00 N ATOM 572 CA ASN A 35 10.774 -3.044 -2.885 1.00 0.00 C ATOM 573 C ASN A 35 10.172 -1.695 -3.284 1.00 0.00 C ATOM 574 O ASN A 35 10.875 -0.825 -3.799 1.00 0.00 O ATOM 575 CB ASN A 35 11.118 -3.865 -4.132 1.00 0.00 C ATOM 576 CG ASN A 35 12.014 -3.111 -5.097 1.00 0.00 C ATOM 577 OD1 ASN A 35 11.661 -2.908 -6.258 1.00 0.00 O ATOM 578 ND2 ASN A 35 13.180 -2.693 -4.619 1.00 0.00 N ATOM 0 H ASN A 35 9.284 -4.472 -2.512 1.00 0.00 H new ATOM 0 HA ASN A 35 11.688 -2.847 -2.325 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.611 -4.789 -3.830 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.197 -4.148 -4.642 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.824 -2.181 -5.222 1.00 0.00 H new ATOM 0 HD22 ASN A 35 13.432 -2.884 -3.649 1.00 0.00 H new ATOM 585 N ALA A 36 8.874 -1.518 -3.037 1.00 0.00 N ATOM 586 CA ALA A 36 8.200 -0.265 -3.370 1.00 0.00 C ATOM 587 C ALA A 36 8.231 -0.014 -4.883 1.00 0.00 C ATOM 588 O ALA A 36 7.991 -0.932 -5.666 1.00 0.00 O ATOM 589 CB ALA A 36 8.845 0.881 -2.603 1.00 0.00 C ATOM 0 H ALA A 36 8.272 -2.222 -2.610 1.00 0.00 H new ATOM 0 HA ALA A 36 7.153 -0.333 -3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.341 1.815 -2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.758 0.697 -1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.898 0.953 -2.874 1.00 0.00 H new ATOM 595 N LYS A 37 8.527 1.230 -5.291 1.00 0.00 N ATOM 596 CA LYS A 37 8.592 1.595 -6.712 1.00 0.00 C ATOM 597 C LYS A 37 7.225 2.017 -7.254 1.00 0.00 C ATOM 598 O LYS A 37 7.138 2.618 -8.323 1.00 0.00 O ATOM 599 CB LYS A 37 9.154 0.444 -7.555 1.00 0.00 C ATOM 600 CG LYS A 37 9.757 0.896 -8.876 1.00 0.00 C ATOM 601 CD LYS A 37 8.858 0.542 -10.050 1.00 0.00 C ATOM 602 CE LYS A 37 8.975 1.565 -11.168 1.00 0.00 C ATOM 603 NZ LYS A 37 10.365 1.655 -11.696 1.00 0.00 N ATOM 0 H LYS A 37 8.725 2.001 -4.653 1.00 0.00 H new ATOM 0 HA LYS A 37 9.266 2.448 -6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.916 -0.080 -6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.357 -0.272 -7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.919 1.974 -8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.733 0.429 -9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.124 -0.445 -10.429 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.823 0.486 -9.713 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.296 1.297 -11.977 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.663 2.542 -10.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.379 2.273 -12.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.990 2.048 -10.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.698 0.706 -11.962 1.00 0.00 H new ATOM 617 N THR A 38 6.162 1.714 -6.511 1.00 0.00 N ATOM 618 CA THR A 38 4.817 2.083 -6.931 1.00 0.00 C ATOM 619 C THR A 38 3.869 2.110 -5.736 1.00 0.00 C ATOM 620 O THR A 38 3.106 1.172 -5.515 1.00 0.00 O ATOM 621 CB THR A 38 4.292 1.127 -8.012 1.00 0.00 C ATOM 622 OG1 THR A 38 2.959 1.452 -8.358 1.00 0.00 O ATOM 623 CG2 THR A 38 4.313 -0.338 -7.614 1.00 0.00 C ATOM 0 H THR A 38 6.208 1.217 -5.621 1.00 0.00 H new ATOM 0 HA THR A 38 4.864 3.084 -7.360 1.00 0.00 H new ATOM 0 HB THR A 38 4.974 1.258 -8.852 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.640 0.834 -9.049 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.926 -0.943 -8.434 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.336 -0.640 -7.391 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.691 -0.484 -6.731 1.00 0.00 H new ATOM 631 N VAL A 39 3.933 3.196 -4.967 1.00 0.00 N ATOM 632 CA VAL A 39 3.086 3.364 -3.779 1.00 0.00 C ATOM 633 C VAL A 39 1.672 2.830 -4.011 1.00 0.00 C ATOM 634 O VAL A 39 1.155 2.048 -3.207 1.00 0.00 O ATOM 635 CB VAL A 39 3.000 4.846 -3.354 1.00 0.00 C ATOM 636 CG1 VAL A 39 2.388 5.692 -4.459 1.00 0.00 C ATOM 637 CG2 VAL A 39 2.208 4.988 -2.060 1.00 0.00 C ATOM 0 H VAL A 39 4.564 3.978 -5.144 1.00 0.00 H new ATOM 0 HA VAL A 39 3.555 2.787 -2.982 1.00 0.00 H new ATOM 0 HB VAL A 39 4.012 5.208 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.338 6.732 -4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.003 5.620 -5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.383 5.332 -4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.159 6.039 -1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.199 4.604 -2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.699 4.422 -1.269 1.00 0.00 H new ATOM 647 N GLU A 40 1.052 3.240 -5.116 1.00 0.00 N ATOM 648 CA GLU A 40 -0.293 2.780 -5.439 1.00 0.00 C ATOM 649 C GLU A 40 -0.300 1.267 -5.584 1.00 0.00 C ATOM 650 O GLU A 40 -1.194 0.587 -5.078 1.00 0.00 O ATOM 651 CB GLU A 40 -0.804 3.452 -6.720 1.00 0.00 C ATOM 652 CG GLU A 40 -1.895 4.477 -6.470 1.00 0.00 C ATOM 653 CD GLU A 40 -2.143 5.363 -7.671 1.00 0.00 C ATOM 654 OE1 GLU A 40 -2.670 4.859 -8.684 1.00 0.00 O ATOM 655 OE2 GLU A 40 -1.812 6.569 -7.599 1.00 0.00 O ATOM 0 H GLU A 40 1.457 3.884 -5.796 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.964 3.057 -4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.031 3.937 -7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.184 2.686 -7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.819 3.963 -6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.619 5.096 -5.616 1.00 0.00 H new ATOM 662 N GLY A 41 0.717 0.740 -6.260 1.00 0.00 N ATOM 663 CA GLY A 41 0.819 -0.693 -6.432 1.00 0.00 C ATOM 664 C GLY A 41 1.095 -1.401 -5.123 1.00 0.00 C ATOM 665 O GLY A 41 0.446 -2.387 -4.804 1.00 0.00 O ATOM 0 H GLY A 41 1.468 1.280 -6.689 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.107 -1.074 -6.862 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.616 -0.918 -7.141 1.00 0.00 H new ATOM 669 N VAL A 42 2.055 -0.888 -4.350 1.00 0.00 N ATOM 670 CA VAL A 42 2.395 -1.483 -3.058 1.00 0.00 C ATOM 671 C VAL A 42 1.127 -1.837 -2.285 1.00 0.00 C ATOM 672 O VAL A 42 1.036 -2.898 -1.664 1.00 0.00 O ATOM 673 CB VAL A 42 3.253 -0.525 -2.208 1.00 0.00 C ATOM 674 CG1 VAL A 42 3.830 -1.254 -1.005 1.00 0.00 C ATOM 675 CG2 VAL A 42 4.365 0.088 -3.046 1.00 0.00 C ATOM 0 H VAL A 42 2.607 -0.066 -4.595 1.00 0.00 H new ATOM 0 HA VAL A 42 2.970 -2.387 -3.256 1.00 0.00 H new ATOM 0 HB VAL A 42 2.613 0.281 -1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.433 -0.563 -0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.018 -1.642 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.454 -2.081 -1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.958 0.761 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.004 -0.703 -3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.930 0.647 -3.875 1.00 0.00 H new ATOM 685 N TRP A 43 0.145 -0.943 -2.346 1.00 0.00 N ATOM 686 CA TRP A 43 -1.126 -1.157 -1.667 1.00 0.00 C ATOM 687 C TRP A 43 -2.018 -2.116 -2.455 1.00 0.00 C ATOM 688 O TRP A 43 -2.799 -2.868 -1.871 1.00 0.00 O ATOM 689 CB TRP A 43 -1.849 0.175 -1.456 1.00 0.00 C ATOM 690 CG TRP A 43 -2.997 0.084 -0.497 1.00 0.00 C ATOM 691 CD1 TRP A 43 -4.152 -0.623 -0.666 1.00 0.00 C ATOM 692 CD2 TRP A 43 -3.100 0.722 0.781 1.00 0.00 C ATOM 693 NE1 TRP A 43 -4.968 -0.463 0.427 1.00 0.00 N ATOM 694 CE2 TRP A 43 -4.344 0.359 1.329 1.00 0.00 C ATOM 695 CE3 TRP A 43 -2.262 1.567 1.515 1.00 0.00 C ATOM 696 CZ2 TRP A 43 -4.770 0.810 2.577 1.00 0.00 C ATOM 697 CZ3 TRP A 43 -2.684 2.014 2.752 1.00 0.00 C ATOM 698 CH2 TRP A 43 -3.928 1.635 3.273 1.00 0.00 C ATOM 0 H TRP A 43 0.206 -0.064 -2.859 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.915 -1.606 -0.696 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.136 0.913 -1.088 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.216 0.537 -2.417 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.390 -1.221 -1.533 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.888 -0.887 0.548 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.301 1.865 1.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.729 0.519 2.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.044 2.667 3.327 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.229 2.001 4.243 1.00 0.00 H new ATOM 709 N THR A 44 -1.904 -2.086 -3.782 1.00 0.00 N ATOM 710 CA THR A 44 -2.713 -2.962 -4.631 1.00 0.00 C ATOM 711 C THR A 44 -2.135 -4.372 -4.665 1.00 0.00 C ATOM 712 O THR A 44 -2.863 -5.357 -4.536 1.00 0.00 O ATOM 713 CB THR A 44 -2.803 -2.399 -6.050 1.00 0.00 C ATOM 714 OG1 THR A 44 -2.855 -0.985 -6.026 1.00 0.00 O ATOM 715 CG2 THR A 44 -4.016 -2.890 -6.811 1.00 0.00 C ATOM 0 H THR A 44 -1.267 -1.472 -4.289 1.00 0.00 H new ATOM 0 HA THR A 44 -3.716 -3.010 -4.206 1.00 0.00 H new ATOM 0 HB THR A 44 -1.906 -2.752 -6.559 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.945 -0.625 -5.967 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.020 -2.453 -7.810 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.981 -3.977 -6.890 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.922 -2.594 -6.282 1.00 0.00 H new ATOM 723 N LEU A 45 -0.824 -4.459 -4.830 1.00 0.00 N ATOM 724 CA LEU A 45 -0.135 -5.739 -4.872 1.00 0.00 C ATOM 725 C LEU A 45 -0.354 -6.487 -3.568 1.00 0.00 C ATOM 726 O LEU A 45 -0.470 -7.710 -3.555 1.00 0.00 O ATOM 727 CB LEU A 45 1.364 -5.528 -5.116 1.00 0.00 C ATOM 728 CG LEU A 45 1.886 -6.017 -6.474 1.00 0.00 C ATOM 729 CD1 LEU A 45 0.913 -5.677 -7.594 1.00 0.00 C ATOM 730 CD2 LEU A 45 3.258 -5.424 -6.761 1.00 0.00 C ATOM 0 H LEU A 45 -0.212 -3.650 -4.938 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.540 -6.331 -5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.584 -4.464 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.918 -6.038 -4.328 1.00 0.00 H new ATOM 0 HG LEU A 45 1.977 -7.102 -6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.311 -6.036 -8.543 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.047 -6.154 -7.399 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.778 -4.597 -7.643 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.614 -5.781 -7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.188 -4.336 -6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.957 -5.729 -5.982 1.00 0.00 H new ATOM 741 N LYS A 46 -0.421 -5.734 -2.474 1.00 0.00 N ATOM 742 CA LYS A 46 -0.640 -6.310 -1.156 1.00 0.00 C ATOM 743 C LYS A 46 -2.048 -6.886 -1.056 1.00 0.00 C ATOM 744 O LYS A 46 -2.232 -8.084 -0.835 1.00 0.00 O ATOM 745 CB LYS A 46 -0.424 -5.238 -0.083 1.00 0.00 C ATOM 746 CG LYS A 46 -0.992 -5.594 1.284 1.00 0.00 C ATOM 747 CD LYS A 46 -1.037 -4.381 2.201 1.00 0.00 C ATOM 748 CE LYS A 46 -2.444 -3.812 2.303 1.00 0.00 C ATOM 749 NZ LYS A 46 -2.461 -2.488 2.985 1.00 0.00 N ATOM 0 H LYS A 46 -0.326 -4.718 -2.477 1.00 0.00 H new ATOM 0 HA LYS A 46 0.073 -7.119 -0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.645 -5.053 0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.878 -4.306 -0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.996 -6.001 1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.383 -6.374 1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.683 -4.660 3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.359 -3.614 1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.868 -3.711 1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.079 -4.510 2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.386 -2.343 3.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.713 -2.460 3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.296 -1.735 2.286 1.00 0.00 H new ATOM 763 N ASP A 47 -3.043 -6.023 -1.218 1.00 0.00 N ATOM 764 CA ASP A 47 -4.436 -6.448 -1.150 1.00 0.00 C ATOM 765 C ASP A 47 -4.706 -7.547 -2.172 1.00 0.00 C ATOM 766 O ASP A 47 -5.521 -8.442 -1.942 1.00 0.00 O ATOM 767 CB ASP A 47 -5.370 -5.260 -1.396 1.00 0.00 C ATOM 768 CG ASP A 47 -5.840 -4.617 -0.106 1.00 0.00 C ATOM 769 OD1 ASP A 47 -5.182 -4.824 0.935 1.00 0.00 O ATOM 770 OD2 ASP A 47 -6.867 -3.907 -0.138 1.00 0.00 O ATOM 0 H ASP A 47 -2.912 -5.027 -1.397 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.627 -6.842 -0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.854 -4.516 -2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.235 -5.594 -1.968 1.00 0.00 H new ATOM 775 N GLU A 48 -4.006 -7.471 -3.298 1.00 0.00 N ATOM 776 CA GLU A 48 -4.158 -8.456 -4.360 1.00 0.00 C ATOM 777 C GLU A 48 -3.441 -9.754 -4.002 1.00 0.00 C ATOM 778 O GLU A 48 -4.037 -10.834 -4.043 1.00 0.00 O ATOM 779 CB GLU A 48 -3.613 -7.902 -5.678 1.00 0.00 C ATOM 780 CG GLU A 48 -4.102 -8.658 -6.903 1.00 0.00 C ATOM 781 CD GLU A 48 -5.315 -8.009 -7.543 1.00 0.00 C ATOM 782 OE1 GLU A 48 -6.440 -8.241 -7.053 1.00 0.00 O ATOM 783 OE2 GLU A 48 -5.138 -7.269 -8.533 1.00 0.00 O ATOM 0 H GLU A 48 -3.327 -6.736 -3.498 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.220 -8.670 -4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.900 -6.854 -5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.524 -7.933 -5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.297 -8.716 -7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.349 -9.681 -6.619 1.00 0.00 H new ATOM 790 N ILE A 49 -2.161 -9.652 -3.649 1.00 0.00 N ATOM 791 CA ILE A 49 -1.391 -10.834 -3.292 1.00 0.00 C ATOM 792 C ILE A 49 -2.013 -11.558 -2.108 1.00 0.00 C ATOM 793 O ILE A 49 -1.814 -12.752 -1.934 1.00 0.00 O ATOM 794 CB ILE A 49 0.094 -10.539 -2.990 1.00 0.00 C ATOM 795 CG1 ILE A 49 0.834 -11.853 -2.743 1.00 0.00 C ATOM 796 CG2 ILE A 49 0.254 -9.611 -1.798 1.00 0.00 C ATOM 797 CD1 ILE A 49 0.652 -12.874 -3.848 1.00 0.00 C ATOM 0 H ILE A 49 -1.644 -8.774 -3.604 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.420 -11.473 -4.175 1.00 0.00 H new ATOM 0 HB ILE A 49 0.523 -10.032 -3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.897 -11.644 -2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.488 -12.283 -1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.314 -9.428 -1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.247 -8.665 -2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.189 -10.073 -0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.206 -13.780 -3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.406 -13.113 -3.952 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.025 -12.464 -4.787 1.00 0.00 H new ATOM 809 N LEU A 50 -2.778 -10.841 -1.300 1.00 0.00 N ATOM 810 CA LEU A 50 -3.433 -11.457 -0.157 1.00 0.00 C ATOM 811 C LEU A 50 -4.680 -12.196 -0.620 1.00 0.00 C ATOM 812 O LEU A 50 -5.059 -13.223 -0.056 1.00 0.00 O ATOM 813 CB LEU A 50 -3.799 -10.407 0.892 1.00 0.00 C ATOM 814 CG LEU A 50 -3.835 -10.926 2.327 1.00 0.00 C ATOM 815 CD1 LEU A 50 -2.426 -11.034 2.876 1.00 0.00 C ATOM 816 CD2 LEU A 50 -4.688 -10.021 3.202 1.00 0.00 C ATOM 0 H LEU A 50 -2.959 -9.844 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.743 -12.166 0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.081 -9.589 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.776 -9.992 0.645 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.285 -11.919 2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.462 -11.405 3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.848 -11.723 2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.954 -10.052 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.701 -10.408 4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.270 -9.014 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.705 -9.991 2.812 1.00 0.00 H new ATOM 828 N THR A 51 -5.313 -11.660 -1.661 1.00 0.00 N ATOM 829 CA THR A 51 -6.522 -12.254 -2.218 1.00 0.00 C ATOM 830 C THR A 51 -6.241 -13.599 -2.901 1.00 0.00 C ATOM 831 O THR A 51 -7.156 -14.402 -3.085 1.00 0.00 O ATOM 832 CB THR A 51 -7.167 -11.283 -3.215 1.00 0.00 C ATOM 833 OG1 THR A 51 -7.756 -10.190 -2.536 1.00 0.00 O ATOM 834 CG2 THR A 51 -8.237 -11.918 -4.079 1.00 0.00 C ATOM 0 H THR A 51 -5.006 -10.812 -2.136 1.00 0.00 H new ATOM 0 HA THR A 51 -7.208 -12.444 -1.392 1.00 0.00 H new ATOM 0 HB THR A 51 -6.353 -10.959 -3.863 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.061 -9.543 -2.294 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.647 -11.171 -4.758 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.802 -12.734 -4.656 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.033 -12.307 -3.445 1.00 0.00 H new ATOM 842 N PHE A 52 -4.987 -13.854 -3.283 1.00 0.00 N ATOM 843 CA PHE A 52 -4.644 -15.114 -3.946 1.00 0.00 C ATOM 844 C PHE A 52 -4.366 -16.219 -2.924 1.00 0.00 C ATOM 845 O PHE A 52 -3.428 -17.002 -3.060 1.00 0.00 O ATOM 846 CB PHE A 52 -3.463 -14.900 -4.921 1.00 0.00 C ATOM 847 CG PHE A 52 -2.105 -15.337 -4.430 1.00 0.00 C ATOM 848 CD1 PHE A 52 -1.693 -15.070 -3.136 1.00 0.00 C ATOM 849 CD2 PHE A 52 -1.234 -16.001 -5.279 1.00 0.00 C ATOM 850 CE1 PHE A 52 -0.441 -15.458 -2.695 1.00 0.00 C ATOM 851 CE2 PHE A 52 0.017 -16.395 -4.846 1.00 0.00 C ATOM 852 CZ PHE A 52 0.414 -16.123 -3.552 1.00 0.00 C ATOM 0 H PHE A 52 -4.203 -13.215 -3.147 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.499 -15.447 -4.535 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.681 -15.435 -5.846 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.412 -13.840 -5.170 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.358 -14.552 -2.461 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.538 -16.213 -6.293 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.133 -15.242 -1.683 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.683 -16.915 -5.518 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.392 -16.430 -3.210 1.00 0.00 H new ATOM 862 N THR A 53 -5.221 -16.285 -1.912 1.00 0.00 N ATOM 863 CA THR A 53 -5.107 -17.287 -0.862 1.00 0.00 C ATOM 864 C THR A 53 -6.286 -17.158 0.095 1.00 0.00 C ATOM 865 O THR A 53 -7.141 -18.041 0.165 1.00 0.00 O ATOM 866 CB THR A 53 -3.778 -17.144 -0.101 1.00 0.00 C ATOM 867 OG1 THR A 53 -2.700 -17.631 -0.879 1.00 0.00 O ATOM 868 CG2 THR A 53 -3.749 -17.888 1.219 1.00 0.00 C ATOM 0 H THR A 53 -6.009 -15.648 -1.796 1.00 0.00 H new ATOM 0 HA THR A 53 -5.121 -18.276 -1.320 1.00 0.00 H new ATOM 0 HB THR A 53 -3.682 -16.077 0.098 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.002 -17.781 -1.799 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.781 -17.741 1.698 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.537 -17.507 1.869 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.908 -18.952 1.041 1.00 0.00 H new ATOM 876 N VAL A 54 -6.327 -16.051 0.829 1.00 0.00 N ATOM 877 CA VAL A 54 -7.398 -15.812 1.772 1.00 0.00 C ATOM 878 C VAL A 54 -8.670 -15.344 1.069 1.00 0.00 C ATOM 879 O VAL A 54 -9.653 -16.081 0.987 1.00 0.00 O ATOM 880 CB VAL A 54 -7.005 -14.776 2.846 1.00 0.00 C ATOM 881 CG1 VAL A 54 -7.947 -14.859 4.035 1.00 0.00 C ATOM 882 CG2 VAL A 54 -5.570 -14.978 3.290 1.00 0.00 C ATOM 0 H VAL A 54 -5.628 -15.309 0.784 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.588 -16.767 2.261 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.088 -13.782 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.655 -14.121 4.783 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.967 -14.658 3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.896 -15.857 4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.316 -14.236 4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.456 -15.978 3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.905 -14.865 2.434 1.00 0.00 H new ATOM 892 N THR A 55 -8.652 -14.113 0.567 1.00 0.00 N ATOM 893 CA THR A 55 -9.807 -13.551 -0.122 1.00 0.00 C ATOM 894 C THR A 55 -10.147 -14.358 -1.372 1.00 0.00 C ATOM 895 O THR A 55 -9.504 -14.219 -2.408 1.00 0.00 O ATOM 896 CB THR A 55 -9.542 -12.092 -0.498 1.00 0.00 C ATOM 897 OG1 THR A 55 -8.587 -11.515 0.372 1.00 0.00 O ATOM 898 CG2 THR A 55 -10.784 -11.229 -0.452 1.00 0.00 C ATOM 0 H THR A 55 -7.850 -13.486 0.625 1.00 0.00 H new ATOM 0 HA THR A 55 -10.659 -13.596 0.557 1.00 0.00 H new ATOM 0 HB THR A 55 -9.175 -12.120 -1.524 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.430 -10.583 0.114 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.527 -10.207 -0.729 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.524 -11.619 -1.150 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.197 -11.239 0.557 1.00 0.00 H new ATOM 906 N GLU A 56 -11.174 -15.204 -1.261 1.00 0.00 N ATOM 907 CA GLU A 56 -11.600 -16.034 -2.382 1.00 0.00 C ATOM 908 C GLU A 56 -10.477 -16.966 -2.828 1.00 0.00 C ATOM 909 O GLU A 56 -9.610 -16.517 -3.602 1.00 0.00 O ATOM 910 CB GLU A 56 -12.046 -15.157 -3.553 1.00 0.00 C ATOM 911 CG GLU A 56 -13.401 -14.500 -3.343 1.00 0.00 C ATOM 912 CD GLU A 56 -13.359 -13.000 -3.565 1.00 0.00 C ATOM 913 OE1 GLU A 56 -12.637 -12.551 -4.471 1.00 0.00 O ATOM 914 OE2 GLU A 56 -14.063 -12.275 -2.828 1.00 0.00 O ATOM 915 OXT GLU A 56 -10.481 -18.140 -2.397 1.00 0.00 O ATOM 0 H GLU A 56 -11.721 -15.330 -0.409 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.442 -16.642 -2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.298 -14.382 -3.720 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.083 -15.765 -4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.126 -14.945 -4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.748 -14.705 -2.330 1.00 0.00 H new TER 922 GLU A 56