USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 624 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 41 LYS NZ :NH3+ 165:sc= 0.843 (180deg=0) USER MOD Set 1.2: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 75 GLN : amide:sc= 0.743 K(o=1.6,f=-8.5!) USER MOD Set 2.1: A 22 GLN : amide:sc= 2.95 K(o=5.7,f=1.4) USER MOD Set 2.2: A 56 ASN : amide:sc= 1.86 K(o=5.7,f=1.4!) USER MOD Set 2.3: A 62 SER OG : rot 180:sc= 0.859 USER MOD Set 3.1: A 2 SER OG : rot 89:sc= 1.95 USER MOD Set 3.2: A -2 SER N :NH3+ -176:sc= 2.41 (180deg=1.32) USER MOD Single : A 0 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 1 LYS NZ :NH3+ -179:sc= 0.137 (180deg=0.133) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0.87 (180deg=0.87) USER MOD Single : A 8 SER OG : rot 64:sc= 1.2 USER MOD Single : A -2 SER OG : rot 180:sc= 0.0514 USER MOD Single : A 12 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0224) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -168:sc=-0.00557 (180deg=-0.128) USER MOD Single : A 21 ASN : amide:sc= 0.97 K(o=0.97,f=-1.3) USER MOD Single : A 24 SER OG : rot -120:sc= 0.938 USER MOD Single : A 25 LYS NZ :NH3+ -129:sc= -0.0864 (180deg=-0.926) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0.284 (180deg=0.279) USER MOD Single : A 30 GLN : amide:sc= 0.86 K(o=0.86,f=-0.013) USER MOD Single : A 33 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.28) USER MOD Single : A 38 SER OG : rot -41:sc= 0.837 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 51 GLN : amide:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0553) USER MOD Single : A 67 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0551) USER MOD Single : A 74 SER OG : rot 25:sc= 0.932 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -2 -0.903 17.009 -4.229 1.00 0.00 N ATOM 2 CA SER A -2 -1.935 17.743 -4.972 1.00 0.00 C ATOM 3 C SER A -2 -1.573 19.224 -5.066 1.00 0.00 C ATOM 4 O SER A -2 -0.490 19.594 -4.618 1.00 0.00 O ATOM 5 CB SER A -2 -3.264 17.490 -4.261 1.00 0.00 C ATOM 6 OG SER A -2 -3.266 16.114 -3.915 1.00 0.00 O ATOM 0 H1 SER A -2 -1.129 15.994 -4.232 1.00 0.00 H new ATOM 0 H2 SER A -2 0.022 17.159 -4.680 1.00 0.00 H new ATOM 0 H3 SER A -2 -0.870 17.353 -3.248 1.00 0.00 H new ATOM 0 HA SER A -2 -2.015 17.398 -6.003 1.00 0.00 H new ATOM 0 HB2 SER A -2 -3.357 18.116 -3.373 1.00 0.00 H new ATOM 0 HB3 SER A -2 -4.106 17.730 -4.910 1.00 0.00 H new ATOM 0 HG SER A -2 -4.101 15.895 -3.451 1.00 0.00 H new ATOM 14 N ALA A -1 -2.456 20.061 -5.634 1.00 0.00 N ATOM 15 CA ALA A -1 -2.227 21.504 -5.755 1.00 0.00 C ATOM 16 C ALA A -1 -1.728 22.053 -4.417 1.00 0.00 C ATOM 17 O ALA A -1 -0.730 22.766 -4.354 1.00 0.00 O ATOM 18 CB ALA A -1 -3.517 22.200 -6.201 1.00 0.00 C ATOM 0 H ALA A -1 -3.348 19.753 -6.021 1.00 0.00 H new ATOM 0 HA ALA A -1 -1.465 21.698 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -3.340 23.272 -6.289 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -3.829 21.803 -7.167 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -4.300 22.021 -5.465 1.00 0.00 H new ATOM 24 N GLN A 0 -2.425 21.669 -3.346 1.00 0.00 N ATOM 25 CA GLN A 0 -2.054 21.973 -1.981 1.00 0.00 C ATOM 26 C GLN A 0 -1.369 20.700 -1.476 1.00 0.00 C ATOM 27 O GLN A 0 -1.981 19.633 -1.534 1.00 0.00 O ATOM 28 CB GLN A 0 -3.300 22.314 -1.157 1.00 0.00 C ATOM 29 CG GLN A 0 -3.963 23.601 -1.669 1.00 0.00 C ATOM 30 CD GLN A 0 -5.183 23.996 -0.841 1.00 0.00 C ATOM 31 OE1 GLN A 0 -5.576 23.297 0.087 1.00 0.00 O ATOM 32 NE2 GLN A 0 -5.801 25.126 -1.171 1.00 0.00 N ATOM 0 H GLN A 0 -3.284 21.124 -3.416 1.00 0.00 H new ATOM 0 HA GLN A 0 -1.396 22.839 -1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 0 -4.011 21.489 -1.208 1.00 0.00 H new ATOM 0 HB3 GLN A 0 -3.026 22.434 -0.109 1.00 0.00 H new ATOM 0 HG2 GLN A 0 -3.236 24.413 -1.650 1.00 0.00 H new ATOM 0 HG3 GLN A 0 -4.261 23.464 -2.708 1.00 0.00 H new ATOM 0 HE21 GLN A 0 -5.454 25.689 -1.947 1.00 0.00 H new ATOM 0 HE22 GLN A 0 -6.622 25.430 -0.648 1.00 0.00 H new ATOM 41 N LYS A 1 -0.123 20.830 -1.006 1.00 0.00 N ATOM 42 CA LYS A 1 0.743 19.784 -0.477 1.00 0.00 C ATOM 43 C LYS A 1 1.058 18.677 -1.494 1.00 0.00 C ATOM 44 O LYS A 1 0.173 18.036 -2.058 1.00 0.00 O ATOM 45 CB LYS A 1 0.182 19.208 0.824 1.00 0.00 C ATOM 46 CG LYS A 1 0.428 20.075 2.069 1.00 0.00 C ATOM 47 CD LYS A 1 -0.292 21.430 2.029 1.00 0.00 C ATOM 48 CE LYS A 1 -0.178 22.164 3.370 1.00 0.00 C ATOM 49 NZ LYS A 1 1.215 22.543 3.672 1.00 0.00 N ATOM 0 H LYS A 1 0.336 21.741 -0.987 1.00 0.00 H new ATOM 0 HA LYS A 1 1.697 20.263 -0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -0.892 19.061 0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 1 0.622 18.225 0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 1 0.103 19.527 2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 1 1.499 20.246 2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 1 0.134 22.047 1.238 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -1.343 21.278 1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -0.801 23.058 3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -0.562 21.527 4.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 1.252 23.022 4.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 1.809 21.690 3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 1.568 23.185 2.934 1.00 0.00 H new ATOM 63 N SER A 2 2.351 18.437 -1.715 1.00 0.00 N ATOM 64 CA SER A 2 2.912 17.434 -2.613 1.00 0.00 C ATOM 65 C SER A 2 4.360 17.206 -2.161 1.00 0.00 C ATOM 66 O SER A 2 4.899 18.085 -1.484 1.00 0.00 O ATOM 67 CB SER A 2 2.871 17.933 -4.068 1.00 0.00 C ATOM 68 OG SER A 2 1.554 17.914 -4.578 1.00 0.00 O ATOM 0 H SER A 2 3.078 18.973 -1.241 1.00 0.00 H new ATOM 0 HA SER A 2 2.340 16.507 -2.575 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.269 18.947 -4.119 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.513 17.307 -4.688 1.00 0.00 H new ATOM 0 HG SER A 2 1.116 18.769 -4.385 1.00 0.00 H new ATOM 74 N PRO A 3 4.999 16.075 -2.518 1.00 0.00 N ATOM 75 CA PRO A 3 6.379 15.766 -2.151 1.00 0.00 C ATOM 76 C PRO A 3 7.343 16.944 -2.307 1.00 0.00 C ATOM 77 O PRO A 3 8.249 17.107 -1.494 1.00 0.00 O ATOM 78 CB PRO A 3 6.782 14.581 -3.030 1.00 0.00 C ATOM 79 CG PRO A 3 5.458 13.838 -3.192 1.00 0.00 C ATOM 80 CD PRO A 3 4.445 14.978 -3.302 1.00 0.00 C ATOM 0 HA PRO A 3 6.437 15.529 -1.089 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.188 14.904 -3.989 1.00 0.00 H new ATOM 0 HB3 PRO A 3 7.542 13.961 -2.555 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.454 13.206 -4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.249 13.192 -2.340 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.300 15.274 -4.341 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.471 14.675 -2.918 1.00 0.00 H new ATOM 88 N ALA A 4 7.144 17.776 -3.338 1.00 0.00 N ATOM 89 CA ALA A 4 7.960 18.959 -3.591 1.00 0.00 C ATOM 90 C ALA A 4 8.132 19.845 -2.357 1.00 0.00 C ATOM 91 O ALA A 4 9.168 20.471 -2.156 1.00 0.00 O ATOM 92 CB ALA A 4 7.387 19.750 -4.768 1.00 0.00 C ATOM 0 H ALA A 4 6.402 17.640 -4.025 1.00 0.00 H new ATOM 0 HA ALA A 4 8.960 18.611 -3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.003 20.631 -4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.381 19.123 -5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.368 20.061 -4.536 1.00 0.00 H new ATOM 98 N GLU A 5 7.103 19.875 -1.522 1.00 0.00 N ATOM 99 CA GLU A 5 7.085 20.641 -0.287 1.00 0.00 C ATOM 100 C GLU A 5 8.120 20.034 0.664 1.00 0.00 C ATOM 101 O GLU A 5 8.993 20.729 1.184 1.00 0.00 O ATOM 102 CB GLU A 5 5.666 20.631 0.296 1.00 0.00 C ATOM 103 CG GLU A 5 5.517 21.600 1.474 1.00 0.00 C ATOM 104 CD GLU A 5 4.075 21.638 1.973 1.00 0.00 C ATOM 105 OE1 GLU A 5 3.220 22.123 1.200 1.00 0.00 O ATOM 106 OE2 GLU A 5 3.846 21.166 3.107 1.00 0.00 O ATOM 0 H GLU A 5 6.241 19.357 -1.689 1.00 0.00 H new ATOM 0 HA GLU A 5 7.350 21.684 -0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.953 20.898 -0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.417 19.622 0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.178 21.296 2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.826 22.600 1.168 1.00 0.00 H new ATOM 113 N LEU A 6 8.032 18.716 0.864 1.00 0.00 N ATOM 114 CA LEU A 6 8.949 17.980 1.724 1.00 0.00 C ATOM 115 C LEU A 6 10.375 18.134 1.218 1.00 0.00 C ATOM 116 O LEU A 6 11.313 18.321 1.988 1.00 0.00 O ATOM 117 CB LEU A 6 8.544 16.504 1.842 1.00 0.00 C ATOM 118 CG LEU A 6 7.114 16.285 2.365 1.00 0.00 C ATOM 119 CD1 LEU A 6 6.830 14.780 2.417 1.00 0.00 C ATOM 120 CD2 LEU A 6 6.913 16.890 3.761 1.00 0.00 C ATOM 0 H LEU A 6 7.318 18.131 0.430 1.00 0.00 H new ATOM 0 HA LEU A 6 8.896 18.401 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.637 16.033 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.244 15.998 2.507 1.00 0.00 H new ATOM 0 HG LEU A 6 6.424 16.786 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.818 14.613 2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.925 14.357 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.544 14.298 3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.889 16.712 4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.606 16.425 4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.100 17.963 3.723 1.00 0.00 H new ATOM 132 N LYS A 7 10.512 18.067 -0.098 1.00 0.00 N ATOM 133 CA LYS A 7 11.780 18.229 -0.789 1.00 0.00 C ATOM 134 C LYS A 7 12.334 19.621 -0.477 1.00 0.00 C ATOM 135 O LYS A 7 13.493 19.750 -0.092 1.00 0.00 O ATOM 136 CB LYS A 7 11.604 17.993 -2.297 1.00 0.00 C ATOM 137 CG LYS A 7 12.928 17.992 -3.077 1.00 0.00 C ATOM 138 CD LYS A 7 13.788 16.759 -2.767 1.00 0.00 C ATOM 139 CE LYS A 7 15.029 16.686 -3.663 1.00 0.00 C ATOM 140 NZ LYS A 7 15.988 17.766 -3.369 1.00 0.00 N ATOM 0 H LYS A 7 9.728 17.895 -0.727 1.00 0.00 H new ATOM 0 HA LYS A 7 12.499 17.487 -0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.100 17.039 -2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.953 18.766 -2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.717 18.025 -4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.490 18.894 -2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.096 16.785 -1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.191 15.857 -2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.517 15.721 -3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.725 16.746 -4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.812 17.679 -3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.531 18.687 -3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.299 17.695 -2.379 1.00 0.00 H new ATOM 154 N SER A 8 11.513 20.666 -0.625 1.00 0.00 N ATOM 155 CA SER A 8 11.919 22.035 -0.332 1.00 0.00 C ATOM 156 C SER A 8 12.396 22.151 1.118 1.00 0.00 C ATOM 157 O SER A 8 13.473 22.687 1.371 1.00 0.00 O ATOM 158 CB SER A 8 10.774 23.012 -0.618 1.00 0.00 C ATOM 159 OG SER A 8 10.392 22.935 -1.977 1.00 0.00 O ATOM 0 H SER A 8 10.550 20.582 -0.951 1.00 0.00 H new ATOM 0 HA SER A 8 12.752 22.298 -0.984 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.921 22.781 0.020 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.085 24.029 -0.378 1.00 0.00 H new ATOM 0 HG SER A 8 10.030 22.044 -2.165 1.00 0.00 H new ATOM 165 N ILE A 9 11.606 21.642 2.070 1.00 0.00 N ATOM 166 CA ILE A 9 11.968 21.666 3.486 1.00 0.00 C ATOM 167 C ILE A 9 13.317 20.956 3.665 1.00 0.00 C ATOM 168 O ILE A 9 14.231 21.479 4.305 1.00 0.00 O ATOM 169 CB ILE A 9 10.838 21.035 4.329 1.00 0.00 C ATOM 170 CG1 ILE A 9 9.589 21.938 4.272 1.00 0.00 C ATOM 171 CG2 ILE A 9 11.271 20.839 5.791 1.00 0.00 C ATOM 172 CD1 ILE A 9 8.332 21.255 4.818 1.00 0.00 C ATOM 0 H ILE A 9 10.704 21.205 1.879 1.00 0.00 H new ATOM 0 HA ILE A 9 12.084 22.691 3.840 1.00 0.00 H new ATOM 0 HB ILE A 9 10.608 20.054 3.912 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.779 22.847 4.842 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.412 22.240 3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.453 20.393 6.356 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.139 20.180 5.828 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.529 21.804 6.227 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.487 21.941 4.751 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.121 20.360 4.232 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.492 20.977 5.860 1.00 0.00 H new ATOM 184 N PHE A 10 13.442 19.762 3.079 1.00 0.00 N ATOM 185 CA PHE A 10 14.661 18.974 3.134 1.00 0.00 C ATOM 186 C PHE A 10 15.840 19.810 2.636 1.00 0.00 C ATOM 187 O PHE A 10 16.850 19.895 3.321 1.00 0.00 O ATOM 188 CB PHE A 10 14.500 17.674 2.339 1.00 0.00 C ATOM 189 CG PHE A 10 15.643 16.701 2.535 1.00 0.00 C ATOM 190 CD1 PHE A 10 16.842 16.861 1.814 1.00 0.00 C ATOM 191 CD2 PHE A 10 15.537 15.676 3.492 1.00 0.00 C ATOM 192 CE1 PHE A 10 17.924 15.998 2.049 1.00 0.00 C ATOM 193 CE2 PHE A 10 16.609 14.795 3.704 1.00 0.00 C ATOM 194 CZ PHE A 10 17.800 14.949 2.975 1.00 0.00 C ATOM 0 H PHE A 10 12.691 19.318 2.551 1.00 0.00 H new ATOM 0 HA PHE A 10 14.864 18.692 4.167 1.00 0.00 H new ATOM 0 HB2 PHE A 10 13.568 17.191 2.632 1.00 0.00 H new ATOM 0 HB3 PHE A 10 14.415 17.914 1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 10 16.929 17.648 1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 10 14.628 15.566 4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 10 18.853 16.141 1.517 1.00 0.00 H new ATOM 0 HE2 PHE A 10 16.518 13.999 4.428 1.00 0.00 H new ATOM 0 HZ PHE A 10 18.619 14.262 3.126 1.00 0.00 H new ATOM 204 N GLU A 11 15.722 20.437 1.462 1.00 0.00 N ATOM 205 CA GLU A 11 16.775 21.277 0.905 1.00 0.00 C ATOM 206 C GLU A 11 17.115 22.424 1.861 1.00 0.00 C ATOM 207 O GLU A 11 18.286 22.671 2.143 1.00 0.00 O ATOM 208 CB GLU A 11 16.363 21.827 -0.467 1.00 0.00 C ATOM 209 CG GLU A 11 16.399 20.737 -1.546 1.00 0.00 C ATOM 210 CD GLU A 11 15.987 21.280 -2.912 1.00 0.00 C ATOM 211 OE1 GLU A 11 16.422 22.405 -3.238 1.00 0.00 O ATOM 212 OE2 GLU A 11 15.250 20.553 -3.613 1.00 0.00 O ATOM 0 H GLU A 11 14.891 20.374 0.874 1.00 0.00 H new ATOM 0 HA GLU A 11 17.665 20.662 0.775 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.358 22.246 -0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 11 17.031 22.641 -0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.404 20.320 -1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.733 19.922 -1.262 1.00 0.00 H new ATOM 219 N LYS A 12 16.093 23.126 2.360 1.00 0.00 N ATOM 220 CA LYS A 12 16.263 24.244 3.279 1.00 0.00 C ATOM 221 C LYS A 12 17.104 23.826 4.489 1.00 0.00 C ATOM 222 O LYS A 12 17.961 24.585 4.939 1.00 0.00 O ATOM 223 CB LYS A 12 14.884 24.791 3.684 1.00 0.00 C ATOM 224 CG LYS A 12 14.934 25.998 4.633 1.00 0.00 C ATOM 225 CD LYS A 12 15.704 27.181 4.029 1.00 0.00 C ATOM 226 CE LYS A 12 15.498 28.464 4.844 1.00 0.00 C ATOM 227 NZ LYS A 12 15.986 28.321 6.228 1.00 0.00 N ATOM 0 H LYS A 12 15.118 22.929 2.133 1.00 0.00 H new ATOM 0 HA LYS A 12 16.808 25.047 2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.340 25.075 2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.316 23.993 4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.918 26.312 4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.404 25.701 5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.767 26.942 3.989 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.375 27.344 3.003 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.019 29.290 4.359 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.438 28.719 4.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.938 29.241 6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.394 27.633 6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.971 27.987 6.216 1.00 0.00 H new ATOM 241 N TYR A 13 16.865 22.622 5.011 1.00 0.00 N ATOM 242 CA TYR A 13 17.613 22.102 6.149 1.00 0.00 C ATOM 243 C TYR A 13 19.013 21.698 5.690 1.00 0.00 C ATOM 244 O TYR A 13 20.017 22.142 6.238 1.00 0.00 O ATOM 245 CB TYR A 13 16.909 20.858 6.697 1.00 0.00 C ATOM 246 CG TYR A 13 15.684 21.062 7.560 1.00 0.00 C ATOM 247 CD1 TYR A 13 14.860 22.199 7.426 1.00 0.00 C ATOM 248 CD2 TYR A 13 15.283 20.014 8.406 1.00 0.00 C ATOM 249 CE1 TYR A 13 13.623 22.253 8.089 1.00 0.00 C ATOM 250 CE2 TYR A 13 14.018 20.040 8.985 1.00 0.00 C ATOM 251 CZ TYR A 13 13.182 21.156 8.841 1.00 0.00 C ATOM 252 OH TYR A 13 11.948 21.173 9.419 1.00 0.00 O ATOM 0 H TYR A 13 16.151 21.985 4.657 1.00 0.00 H new ATOM 0 HA TYR A 13 17.673 22.870 6.920 1.00 0.00 H new ATOM 0 HB2 TYR A 13 16.621 20.236 5.850 1.00 0.00 H new ATOM 0 HB3 TYR A 13 17.636 20.290 7.277 1.00 0.00 H new ATOM 0 HD1 TYR A 13 15.181 23.029 6.813 1.00 0.00 H new ATOM 0 HD2 TYR A 13 15.954 19.192 8.606 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.011 23.140 8.019 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.675 19.188 9.554 1.00 0.00 H new ATOM 0 HH TYR A 13 11.802 20.333 9.902 1.00 0.00 H new ATOM 262 N ALA A 14 19.063 20.841 4.674 1.00 0.00 N ATOM 263 CA ALA A 14 20.271 20.301 4.085 1.00 0.00 C ATOM 264 C ALA A 14 21.307 21.384 3.811 1.00 0.00 C ATOM 265 O ALA A 14 22.487 21.201 4.089 1.00 0.00 O ATOM 266 CB ALA A 14 19.900 19.546 2.808 1.00 0.00 C ATOM 0 H ALA A 14 18.218 20.491 4.222 1.00 0.00 H new ATOM 0 HA ALA A 14 20.733 19.614 4.794 1.00 0.00 H new ATOM 0 HB1 ALA A 14 20.801 19.134 2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.213 18.735 3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.421 20.230 2.107 1.00 0.00 H new ATOM 272 N ALA A 15 20.865 22.521 3.272 1.00 0.00 N ATOM 273 CA ALA A 15 21.722 23.655 2.960 1.00 0.00 C ATOM 274 C ALA A 15 22.562 24.150 4.146 1.00 0.00 C ATOM 275 O ALA A 15 23.546 24.850 3.926 1.00 0.00 O ATOM 276 CB ALA A 15 20.876 24.767 2.346 1.00 0.00 C ATOM 0 H ALA A 15 19.885 22.678 3.038 1.00 0.00 H new ATOM 0 HA ALA A 15 22.462 23.318 2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 15 21.512 25.620 2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 15 20.403 24.403 1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 15 20.107 25.073 3.055 1.00 0.00 H new ATOM 282 N LYS A 16 22.212 23.803 5.393 1.00 0.00 N ATOM 283 CA LYS A 16 23.034 24.175 6.541 1.00 0.00 C ATOM 284 C LYS A 16 24.350 23.388 6.449 1.00 0.00 C ATOM 285 O LYS A 16 25.414 23.913 6.769 1.00 0.00 O ATOM 286 CB LYS A 16 22.303 23.896 7.863 1.00 0.00 C ATOM 287 CG LYS A 16 21.320 25.003 8.281 1.00 0.00 C ATOM 288 CD LYS A 16 20.286 25.360 7.203 1.00 0.00 C ATOM 289 CE LYS A 16 19.209 26.320 7.718 1.00 0.00 C ATOM 290 NZ LYS A 16 18.334 25.679 8.716 1.00 0.00 N ATOM 0 H LYS A 16 21.373 23.271 5.626 1.00 0.00 H new ATOM 0 HA LYS A 16 23.239 25.245 6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.759 22.956 7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 16 23.042 23.763 8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.795 24.687 9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 16 21.885 25.899 8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 16 20.795 25.813 6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 16 19.812 24.447 6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.684 27.195 8.161 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.607 26.673 6.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.505 26.282 8.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.021 24.753 8.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.858 25.548 9.605 1.00 0.00 H new ATOM 304 N GLU A 17 24.279 22.129 6.003 1.00 0.00 N ATOM 305 CA GLU A 17 25.424 21.271 5.799 1.00 0.00 C ATOM 306 C GLU A 17 26.081 21.634 4.464 1.00 0.00 C ATOM 307 O GLU A 17 25.468 22.248 3.595 1.00 0.00 O ATOM 308 CB GLU A 17 24.956 19.809 5.802 1.00 0.00 C ATOM 309 CG GLU A 17 24.475 19.366 7.189 1.00 0.00 C ATOM 310 CD GLU A 17 23.189 20.019 7.687 1.00 0.00 C ATOM 311 OE1 GLU A 17 22.176 19.926 6.963 1.00 0.00 O ATOM 312 OE2 GLU A 17 23.231 20.558 8.814 1.00 0.00 O ATOM 0 H GLU A 17 23.394 21.678 5.771 1.00 0.00 H new ATOM 0 HA GLU A 17 26.155 21.404 6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.148 19.685 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 17 25.774 19.165 5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 17 24.329 18.286 7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 17 25.267 19.571 7.910 1.00 0.00 H new ATOM 319 N GLY A 18 27.346 21.241 4.296 1.00 0.00 N ATOM 320 CA GLY A 18 28.105 21.517 3.082 1.00 0.00 C ATOM 321 C GLY A 18 27.393 21.029 1.819 1.00 0.00 C ATOM 322 O GLY A 18 27.418 21.705 0.793 1.00 0.00 O ATOM 0 H GLY A 18 27.870 20.722 5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 18 28.281 22.590 3.004 1.00 0.00 H new ATOM 0 HA3 GLY A 18 29.082 21.038 3.152 1.00 0.00 H new ATOM 326 N ASP A 19 26.767 19.849 1.889 1.00 0.00 N ATOM 327 CA ASP A 19 26.059 19.246 0.768 1.00 0.00 C ATOM 328 C ASP A 19 24.549 19.503 0.900 1.00 0.00 C ATOM 329 O ASP A 19 23.918 18.878 1.752 1.00 0.00 O ATOM 330 CB ASP A 19 26.365 17.740 0.732 1.00 0.00 C ATOM 331 CG ASP A 19 25.693 17.019 -0.438 1.00 0.00 C ATOM 332 OD1 ASP A 19 24.933 17.679 -1.180 1.00 0.00 O ATOM 333 OD2 ASP A 19 25.945 15.802 -0.567 1.00 0.00 O ATOM 0 H ASP A 19 26.741 19.284 2.738 1.00 0.00 H new ATOM 0 HA ASP A 19 26.393 19.694 -0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 19 27.444 17.596 0.669 1.00 0.00 H new ATOM 0 HB3 ASP A 19 26.037 17.286 1.667 1.00 0.00 H new ATOM 338 N PRO A 20 23.940 20.369 0.069 1.00 0.00 N ATOM 339 CA PRO A 20 22.509 20.653 0.123 1.00 0.00 C ATOM 340 C PRO A 20 21.629 19.441 -0.239 1.00 0.00 C ATOM 341 O PRO A 20 20.407 19.557 -0.202 1.00 0.00 O ATOM 342 CB PRO A 20 22.285 21.829 -0.833 1.00 0.00 C ATOM 343 CG PRO A 20 23.414 21.675 -1.848 1.00 0.00 C ATOM 344 CD PRO A 20 24.565 21.138 -0.998 1.00 0.00 C ATOM 0 HA PRO A 20 22.210 20.896 1.143 1.00 0.00 H new ATOM 0 HB2 PRO A 20 21.306 21.779 -1.310 1.00 0.00 H new ATOM 0 HB3 PRO A 20 22.339 22.786 -0.314 1.00 0.00 H new ATOM 0 HG2 PRO A 20 23.147 20.985 -2.648 1.00 0.00 H new ATOM 0 HG3 PRO A 20 23.668 22.625 -2.318 1.00 0.00 H new ATOM 0 HD2 PRO A 20 25.232 20.513 -1.592 1.00 0.00 H new ATOM 0 HD3 PRO A 20 25.166 21.952 -0.594 1.00 0.00 H new ATOM 352 N ASN A 21 22.213 18.284 -0.584 1.00 0.00 N ATOM 353 CA ASN A 21 21.472 17.067 -0.902 1.00 0.00 C ATOM 354 C ASN A 21 21.364 16.129 0.311 1.00 0.00 C ATOM 355 O ASN A 21 20.850 15.018 0.180 1.00 0.00 O ATOM 356 CB ASN A 21 22.139 16.364 -2.093 1.00 0.00 C ATOM 357 CG ASN A 21 21.271 15.267 -2.708 1.00 0.00 C ATOM 358 OD1 ASN A 21 20.047 15.286 -2.617 1.00 0.00 O ATOM 359 ND2 ASN A 21 21.906 14.296 -3.357 1.00 0.00 N ATOM 0 H ASN A 21 23.225 18.172 -0.649 1.00 0.00 H new ATOM 0 HA ASN A 21 20.452 17.341 -1.173 1.00 0.00 H new ATOM 0 HB2 ASN A 21 22.374 17.104 -2.858 1.00 0.00 H new ATOM 0 HB3 ASN A 21 23.085 15.930 -1.768 1.00 0.00 H new ATOM 0 HD21 ASN A 21 21.375 13.543 -3.794 1.00 0.00 H new ATOM 0 HD22 ASN A 21 22.924 14.304 -3.418 1.00 0.00 H new ATOM 366 N GLN A 22 21.830 16.542 1.498 1.00 0.00 N ATOM 367 CA GLN A 22 21.725 15.739 2.713 1.00 0.00 C ATOM 368 C GLN A 22 21.493 16.633 3.900 1.00 0.00 C ATOM 369 O GLN A 22 21.900 17.787 3.840 1.00 0.00 O ATOM 370 CB GLN A 22 23.055 15.082 3.113 1.00 0.00 C ATOM 371 CG GLN A 22 23.989 14.703 1.963 1.00 0.00 C ATOM 372 CD GLN A 22 25.151 13.878 2.503 1.00 0.00 C ATOM 373 OE1 GLN A 22 26.229 14.386 2.803 1.00 0.00 O ATOM 374 NE2 GLN A 22 24.941 12.578 2.639 1.00 0.00 N ATOM 0 H GLN A 22 22.289 17.442 1.637 1.00 0.00 H new ATOM 0 HA GLN A 22 20.937 15.018 2.494 1.00 0.00 H new ATOM 0 HB2 GLN A 22 23.588 15.762 3.778 1.00 0.00 H new ATOM 0 HB3 GLN A 22 22.834 14.182 3.687 1.00 0.00 H new ATOM 0 HG2 GLN A 22 23.444 14.134 1.210 1.00 0.00 H new ATOM 0 HG3 GLN A 22 24.364 15.602 1.473 1.00 0.00 H new ATOM 0 HE21 GLN A 22 24.038 12.178 2.384 1.00 0.00 H new ATOM 0 HE22 GLN A 22 25.682 11.977 2.999 1.00 0.00 H new ATOM 383 N LEU A 23 20.948 16.077 4.986 1.00 0.00 N ATOM 384 CA LEU A 23 20.885 16.787 6.243 1.00 0.00 C ATOM 385 C LEU A 23 21.597 16.034 7.359 1.00 0.00 C ATOM 386 O LEU A 23 21.738 14.814 7.294 1.00 0.00 O ATOM 387 CB LEU A 23 19.508 17.317 6.636 1.00 0.00 C ATOM 388 CG LEU A 23 18.340 16.419 6.289 1.00 0.00 C ATOM 389 CD1 LEU A 23 18.482 14.998 6.846 1.00 0.00 C ATOM 390 CD2 LEU A 23 17.023 17.020 6.776 1.00 0.00 C ATOM 0 H LEU A 23 20.548 15.139 5.009 1.00 0.00 H new ATOM 0 HA LEU A 23 21.447 17.705 6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 23 19.500 17.495 7.711 1.00 0.00 H new ATOM 0 HB3 LEU A 23 19.358 18.282 6.152 1.00 0.00 H new ATOM 0 HG LEU A 23 18.338 16.348 5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 23 17.612 14.407 6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 23 19.382 14.537 6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 23 18.553 15.039 7.933 1.00 0.00 H new ATOM 0 HD21 LEU A 23 16.200 16.355 6.514 1.00 0.00 H new ATOM 0 HD22 LEU A 23 17.058 17.144 7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 23 16.869 17.990 6.304 1.00 0.00 H new ATOM 402 N SER A 24 22.048 16.785 8.370 1.00 0.00 N ATOM 403 CA SER A 24 22.760 16.282 9.532 1.00 0.00 C ATOM 404 C SER A 24 21.792 15.614 10.504 1.00 0.00 C ATOM 405 O SER A 24 20.586 15.816 10.410 1.00 0.00 O ATOM 406 CB SER A 24 23.466 17.457 10.215 1.00 0.00 C ATOM 407 OG SER A 24 22.526 18.494 10.447 1.00 0.00 O ATOM 0 H SER A 24 21.918 17.796 8.395 1.00 0.00 H new ATOM 0 HA SER A 24 23.492 15.537 9.220 1.00 0.00 H new ATOM 0 HB2 SER A 24 23.908 17.133 11.157 1.00 0.00 H new ATOM 0 HB3 SER A 24 24.280 17.821 9.589 1.00 0.00 H new ATOM 0 HG SER A 24 22.812 19.306 9.978 1.00 0.00 H new ATOM 413 N LYS A 25 22.313 14.829 11.448 1.00 0.00 N ATOM 414 CA LYS A 25 21.529 14.157 12.478 1.00 0.00 C ATOM 415 C LYS A 25 20.565 15.135 13.165 1.00 0.00 C ATOM 416 O LYS A 25 19.383 14.844 13.334 1.00 0.00 O ATOM 417 CB LYS A 25 22.494 13.499 13.473 1.00 0.00 C ATOM 418 CG LYS A 25 21.765 12.644 14.516 1.00 0.00 C ATOM 419 CD LYS A 25 22.720 11.771 15.346 1.00 0.00 C ATOM 420 CE LYS A 25 23.781 12.567 16.121 1.00 0.00 C ATOM 421 NZ LYS A 25 24.981 12.849 15.310 1.00 0.00 N ATOM 0 H LYS A 25 23.313 14.640 11.517 1.00 0.00 H new ATOM 0 HA LYS A 25 20.906 13.384 12.028 1.00 0.00 H new ATOM 0 HB2 LYS A 25 23.204 12.876 12.929 1.00 0.00 H new ATOM 0 HB3 LYS A 25 23.071 14.272 13.980 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.203 13.296 15.185 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.041 12.004 14.012 1.00 0.00 H new ATOM 0 HD2 LYS A 25 22.135 11.181 16.052 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.222 11.067 14.682 1.00 0.00 H new ATOM 0 HE2 LYS A 25 23.348 13.507 16.462 1.00 0.00 H new ATOM 0 HE3 LYS A 25 24.071 12.009 17.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 25.831 12.561 15.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 24.929 12.318 14.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 25.030 13.867 15.105 1.00 0.00 H new ATOM 435 N GLU A 26 21.071 16.304 13.557 1.00 0.00 N ATOM 436 CA GLU A 26 20.286 17.336 14.219 1.00 0.00 C ATOM 437 C GLU A 26 19.135 17.762 13.303 1.00 0.00 C ATOM 438 O GLU A 26 17.967 17.741 13.689 1.00 0.00 O ATOM 439 CB GLU A 26 21.189 18.528 14.579 1.00 0.00 C ATOM 440 CG GLU A 26 22.238 18.204 15.661 1.00 0.00 C ATOM 441 CD GLU A 26 23.319 17.212 15.226 1.00 0.00 C ATOM 442 OE1 GLU A 26 23.643 17.204 14.017 1.00 0.00 O ATOM 443 OE2 GLU A 26 23.786 16.458 16.107 1.00 0.00 O ATOM 0 H GLU A 26 22.049 16.560 13.421 1.00 0.00 H new ATOM 0 HA GLU A 26 19.862 16.947 15.145 1.00 0.00 H new ATOM 0 HB2 GLU A 26 21.701 18.870 13.679 1.00 0.00 H new ATOM 0 HB3 GLU A 26 20.566 19.353 14.924 1.00 0.00 H new ATOM 0 HG2 GLU A 26 22.719 19.132 15.971 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.726 17.802 16.536 1.00 0.00 H new ATOM 450 N GLU A 27 19.465 18.137 12.069 1.00 0.00 N ATOM 451 CA GLU A 27 18.473 18.555 11.098 1.00 0.00 C ATOM 452 C GLU A 27 17.467 17.425 10.807 1.00 0.00 C ATOM 453 O GLU A 27 16.282 17.700 10.635 1.00 0.00 O ATOM 454 CB GLU A 27 19.193 19.060 9.846 1.00 0.00 C ATOM 455 CG GLU A 27 19.921 20.399 10.051 1.00 0.00 C ATOM 456 CD GLU A 27 18.980 21.576 10.304 1.00 0.00 C ATOM 457 OE1 GLU A 27 18.044 21.747 9.496 1.00 0.00 O ATOM 458 OE2 GLU A 27 19.209 22.293 11.303 1.00 0.00 O ATOM 0 H GLU A 27 20.424 18.158 11.722 1.00 0.00 H new ATOM 0 HA GLU A 27 17.878 19.376 11.498 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.915 18.309 9.525 1.00 0.00 H new ATOM 0 HB3 GLU A 27 18.468 19.170 9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 27 20.606 20.305 10.894 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.527 20.612 9.170 1.00 0.00 H new ATOM 465 N LEU A 28 17.902 16.160 10.761 1.00 0.00 N ATOM 466 CA LEU A 28 17.007 15.036 10.513 1.00 0.00 C ATOM 467 C LEU A 28 16.021 14.968 11.670 1.00 0.00 C ATOM 468 O LEU A 28 14.814 14.966 11.446 1.00 0.00 O ATOM 469 CB LEU A 28 17.784 13.730 10.223 1.00 0.00 C ATOM 470 CG LEU A 28 17.869 12.636 11.306 1.00 0.00 C ATOM 471 CD1 LEU A 28 16.567 11.844 11.481 1.00 0.00 C ATOM 472 CD2 LEU A 28 18.941 11.615 10.923 1.00 0.00 C ATOM 0 H LEU A 28 18.878 15.894 10.894 1.00 0.00 H new ATOM 0 HA LEU A 28 16.431 15.181 9.599 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.340 13.277 9.336 1.00 0.00 H new ATOM 0 HB3 LEU A 28 18.805 14.009 9.961 1.00 0.00 H new ATOM 0 HG LEU A 28 18.094 13.161 12.234 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.700 11.092 12.259 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.764 12.523 11.767 1.00 0.00 H new ATOM 0 HD13 LEU A 28 16.311 11.353 10.542 1.00 0.00 H new ATOM 0 HD21 LEU A 28 18.999 10.843 11.690 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.684 11.158 9.967 1.00 0.00 H new ATOM 0 HD23 LEU A 28 19.906 12.115 10.838 1.00 0.00 H new ATOM 484 N LYS A 29 16.544 14.940 12.903 1.00 0.00 N ATOM 485 CA LYS A 29 15.748 14.917 14.125 1.00 0.00 C ATOM 486 C LYS A 29 14.693 16.015 14.044 1.00 0.00 C ATOM 487 O LYS A 29 13.502 15.763 14.246 1.00 0.00 O ATOM 488 CB LYS A 29 16.661 15.110 15.346 1.00 0.00 C ATOM 489 CG LYS A 29 15.894 15.397 16.648 1.00 0.00 C ATOM 490 CD LYS A 29 14.973 14.249 17.092 1.00 0.00 C ATOM 491 CE LYS A 29 15.671 12.884 17.182 1.00 0.00 C ATOM 492 NZ LYS A 29 16.911 12.926 17.976 1.00 0.00 N ATOM 0 H LYS A 29 17.549 14.933 13.076 1.00 0.00 H new ATOM 0 HA LYS A 29 15.248 13.955 14.233 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.267 14.214 15.481 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.348 15.933 15.149 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.611 15.603 17.443 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.297 16.299 16.515 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.549 14.493 18.066 1.00 0.00 H new ATOM 0 HD3 LYS A 29 14.141 14.174 16.392 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.987 12.160 17.624 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.901 12.532 16.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.365 11.991 17.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.559 13.632 17.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.686 13.185 18.958 1.00 0.00 H new ATOM 506 N GLN A 30 15.144 17.237 13.744 1.00 0.00 N ATOM 507 CA GLN A 30 14.256 18.375 13.612 1.00 0.00 C ATOM 508 C GLN A 30 13.163 18.023 12.598 1.00 0.00 C ATOM 509 O GLN A 30 11.983 18.169 12.906 1.00 0.00 O ATOM 510 CB GLN A 30 15.040 19.629 13.210 1.00 0.00 C ATOM 511 CG GLN A 30 15.956 20.109 14.346 1.00 0.00 C ATOM 512 CD GLN A 30 17.165 20.884 13.828 1.00 0.00 C ATOM 513 OE1 GLN A 30 18.280 20.708 14.309 1.00 0.00 O ATOM 514 NE2 GLN A 30 16.964 21.748 12.839 1.00 0.00 N ATOM 0 H GLN A 30 16.128 17.455 13.589 1.00 0.00 H new ATOM 0 HA GLN A 30 13.785 18.601 14.568 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.638 19.417 12.324 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.344 20.424 12.942 1.00 0.00 H new ATOM 0 HG2 GLN A 30 15.386 20.742 15.026 1.00 0.00 H new ATOM 0 HG3 GLN A 30 16.298 19.249 14.922 1.00 0.00 H new ATOM 0 HE21 GLN A 30 16.027 21.876 12.456 1.00 0.00 H new ATOM 0 HE22 GLN A 30 17.746 22.283 12.462 1.00 0.00 H new ATOM 523 N LEU A 31 13.539 17.548 11.400 1.00 0.00 N ATOM 524 CA LEU A 31 12.571 17.099 10.399 1.00 0.00 C ATOM 525 C LEU A 31 11.511 16.185 10.994 1.00 0.00 C ATOM 526 O LEU A 31 10.319 16.412 10.803 1.00 0.00 O ATOM 527 CB LEU A 31 13.268 16.492 9.165 1.00 0.00 C ATOM 528 CG LEU A 31 12.432 16.626 7.878 1.00 0.00 C ATOM 529 CD1 LEU A 31 13.353 16.582 6.654 1.00 0.00 C ATOM 530 CD2 LEU A 31 11.397 15.504 7.741 1.00 0.00 C ATOM 0 H LEU A 31 14.512 17.467 11.105 1.00 0.00 H new ATOM 0 HA LEU A 31 12.037 17.981 10.046 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.231 16.982 9.020 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.472 15.438 9.351 1.00 0.00 H new ATOM 0 HG LEU A 31 11.906 17.579 7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.757 16.677 5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.068 17.403 6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.891 15.634 6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.832 15.641 6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 31 11.906 14.541 7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.716 15.532 8.591 1.00 0.00 H new ATOM 542 N ILE A 32 11.953 15.172 11.725 1.00 0.00 N ATOM 543 CA ILE A 32 11.045 14.216 12.360 1.00 0.00 C ATOM 544 C ILE A 32 10.008 14.960 13.180 1.00 0.00 C ATOM 545 O ILE A 32 8.807 14.849 12.966 1.00 0.00 O ATOM 546 CB ILE A 32 11.740 13.142 13.226 1.00 0.00 C ATOM 547 CG1 ILE A 32 12.989 12.520 12.598 1.00 0.00 C ATOM 548 CG2 ILE A 32 10.740 12.033 13.582 1.00 0.00 C ATOM 549 CD1 ILE A 32 12.817 12.061 11.151 1.00 0.00 C ATOM 0 H ILE A 32 12.941 14.987 11.896 1.00 0.00 H new ATOM 0 HA ILE A 32 10.572 13.668 11.545 1.00 0.00 H new ATOM 0 HB ILE A 32 12.084 13.665 14.118 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.800 13.247 12.640 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.295 11.666 13.202 1.00 0.00 H new ATOM 0 HG21 ILE A 32 11.236 11.278 14.193 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.906 12.460 14.139 1.00 0.00 H new ATOM 0 HG23 ILE A 32 10.367 11.572 12.667 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.753 11.634 10.791 1.00 0.00 H new ATOM 0 HD12 ILE A 32 12.031 11.308 11.099 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.544 12.913 10.529 1.00 0.00 H new ATOM 561 N GLN A 33 10.516 15.726 14.127 1.00 0.00 N ATOM 562 CA GLN A 33 9.705 16.482 15.065 1.00 0.00 C ATOM 563 C GLN A 33 8.800 17.515 14.389 1.00 0.00 C ATOM 564 O GLN A 33 7.702 17.773 14.876 1.00 0.00 O ATOM 565 CB GLN A 33 10.578 17.065 16.183 1.00 0.00 C ATOM 566 CG GLN A 33 11.298 15.953 16.965 1.00 0.00 C ATOM 567 CD GLN A 33 10.332 14.906 17.520 1.00 0.00 C ATOM 568 OE1 GLN A 33 10.245 13.792 17.011 1.00 0.00 O ATOM 569 NE2 GLN A 33 9.583 15.256 18.561 1.00 0.00 N ATOM 0 H GLN A 33 11.519 15.843 14.269 1.00 0.00 H new ATOM 0 HA GLN A 33 9.007 15.787 15.531 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.313 17.747 15.756 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.959 17.649 16.864 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.022 15.465 16.312 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.859 16.397 17.787 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.675 16.188 18.965 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.916 14.593 18.956 1.00 0.00 H new ATOM 578 N ALA A 34 9.243 18.108 13.282 1.00 0.00 N ATOM 579 CA ALA A 34 8.467 19.102 12.557 1.00 0.00 C ATOM 580 C ALA A 34 7.368 18.474 11.692 1.00 0.00 C ATOM 581 O ALA A 34 6.217 18.899 11.748 1.00 0.00 O ATOM 582 CB ALA A 34 9.415 19.937 11.690 1.00 0.00 C ATOM 0 H ALA A 34 10.152 17.910 12.865 1.00 0.00 H new ATOM 0 HA ALA A 34 7.964 19.736 13.287 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.843 20.686 11.142 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.147 20.434 12.326 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.931 19.286 10.984 1.00 0.00 H new ATOM 588 N GLU A 35 7.730 17.486 10.871 1.00 0.00 N ATOM 589 CA GLU A 35 6.842 16.868 9.895 1.00 0.00 C ATOM 590 C GLU A 35 6.059 15.649 10.398 1.00 0.00 C ATOM 591 O GLU A 35 4.917 15.458 9.982 1.00 0.00 O ATOM 592 CB GLU A 35 7.664 16.491 8.653 1.00 0.00 C ATOM 593 CG GLU A 35 8.496 17.649 8.079 1.00 0.00 C ATOM 594 CD GLU A 35 7.644 18.859 7.715 1.00 0.00 C ATOM 595 OE1 GLU A 35 6.889 18.741 6.725 1.00 0.00 O ATOM 596 OE2 GLU A 35 7.765 19.876 8.431 1.00 0.00 O ATOM 0 H GLU A 35 8.669 17.088 10.869 1.00 0.00 H new ATOM 0 HA GLU A 35 6.078 17.611 9.667 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.332 15.669 8.908 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.988 16.125 7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.250 17.946 8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.028 17.304 7.193 1.00 0.00 H new ATOM 603 N PHE A 36 6.641 14.803 11.252 1.00 0.00 N ATOM 604 CA PHE A 36 5.986 13.584 11.727 1.00 0.00 C ATOM 605 C PHE A 36 6.497 13.187 13.124 1.00 0.00 C ATOM 606 O PHE A 36 7.104 12.126 13.291 1.00 0.00 O ATOM 607 CB PHE A 36 6.149 12.478 10.669 1.00 0.00 C ATOM 608 CG PHE A 36 7.534 12.297 10.069 1.00 0.00 C ATOM 609 CD1 PHE A 36 7.880 12.989 8.893 1.00 0.00 C ATOM 610 CD2 PHE A 36 8.408 11.316 10.574 1.00 0.00 C ATOM 611 CE1 PHE A 36 9.123 12.769 8.277 1.00 0.00 C ATOM 612 CE2 PHE A 36 9.626 11.054 9.924 1.00 0.00 C ATOM 613 CZ PHE A 36 9.998 11.798 8.791 1.00 0.00 C ATOM 0 H PHE A 36 7.577 14.944 11.632 1.00 0.00 H new ATOM 0 HA PHE A 36 4.917 13.757 11.853 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.848 11.532 11.119 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.451 12.681 9.856 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.185 13.694 8.461 1.00 0.00 H new ATOM 0 HD2 PHE A 36 8.142 10.763 11.463 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.406 13.346 7.409 1.00 0.00 H new ATOM 0 HE2 PHE A 36 10.279 10.278 10.296 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.953 11.624 8.318 1.00 0.00 H new ATOM 623 N PRO A 37 6.252 14.031 14.141 1.00 0.00 N ATOM 624 CA PRO A 37 6.753 13.836 15.493 1.00 0.00 C ATOM 625 C PRO A 37 6.419 12.470 16.082 1.00 0.00 C ATOM 626 O PRO A 37 5.271 12.187 16.413 1.00 0.00 O ATOM 627 CB PRO A 37 6.201 14.996 16.336 1.00 0.00 C ATOM 628 CG PRO A 37 5.074 15.581 15.486 1.00 0.00 C ATOM 629 CD PRO A 37 5.508 15.278 14.055 1.00 0.00 C ATOM 0 HA PRO A 37 7.843 13.844 15.486 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.831 14.646 17.300 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.971 15.740 16.541 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.115 15.120 15.720 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.961 16.652 15.652 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.647 15.178 13.394 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.127 16.080 13.653 1.00 0.00 H new ATOM 637 N SER A 38 7.446 11.627 16.221 1.00 0.00 N ATOM 638 CA SER A 38 7.351 10.291 16.787 1.00 0.00 C ATOM 639 C SER A 38 6.395 9.367 16.019 1.00 0.00 C ATOM 640 O SER A 38 6.021 8.320 16.553 1.00 0.00 O ATOM 641 CB SER A 38 6.980 10.394 18.276 1.00 0.00 C ATOM 642 OG SER A 38 7.076 9.130 18.900 1.00 0.00 O ATOM 0 H SER A 38 8.394 11.869 15.932 1.00 0.00 H new ATOM 0 HA SER A 38 8.329 9.820 16.691 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.642 11.103 18.773 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.966 10.780 18.378 1.00 0.00 H new ATOM 0 HG SER A 38 6.712 8.443 18.304 1.00 0.00 H new ATOM 648 N LEU A 39 6.008 9.685 14.777 1.00 0.00 N ATOM 649 CA LEU A 39 5.085 8.847 14.007 1.00 0.00 C ATOM 650 C LEU A 39 5.864 7.726 13.308 1.00 0.00 C ATOM 651 O LEU A 39 5.713 7.468 12.112 1.00 0.00 O ATOM 652 CB LEU A 39 4.250 9.691 13.035 1.00 0.00 C ATOM 653 CG LEU A 39 3.590 10.929 13.665 1.00 0.00 C ATOM 654 CD1 LEU A 39 2.737 11.634 12.605 1.00 0.00 C ATOM 655 CD2 LEU A 39 2.708 10.569 14.867 1.00 0.00 C ATOM 0 H LEU A 39 6.322 10.521 14.284 1.00 0.00 H new ATOM 0 HA LEU A 39 4.372 8.377 14.684 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.890 10.015 12.214 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.472 9.061 12.603 1.00 0.00 H new ATOM 0 HG LEU A 39 4.384 11.584 14.024 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.265 12.513 13.044 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.371 11.939 11.772 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.968 10.951 12.244 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.264 11.476 15.277 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.917 9.890 14.548 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.315 10.084 15.632 1.00 0.00 H new ATOM 667 N LEU A 40 6.710 7.065 14.098 1.00 0.00 N ATOM 668 CA LEU A 40 7.591 5.973 13.726 1.00 0.00 C ATOM 669 C LEU A 40 7.387 4.871 14.765 1.00 0.00 C ATOM 670 O LEU A 40 8.314 4.474 15.465 1.00 0.00 O ATOM 671 CB LEU A 40 9.042 6.484 13.702 1.00 0.00 C ATOM 672 CG LEU A 40 9.285 7.617 12.688 1.00 0.00 C ATOM 673 CD1 LEU A 40 10.682 8.201 12.917 1.00 0.00 C ATOM 674 CD2 LEU A 40 9.178 7.107 11.244 1.00 0.00 C ATOM 0 H LEU A 40 6.799 7.301 15.086 1.00 0.00 H new ATOM 0 HA LEU A 40 7.372 5.581 12.733 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.310 6.837 14.698 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.707 5.652 13.469 1.00 0.00 H new ATOM 0 HG LEU A 40 8.522 8.382 12.836 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.862 9.004 12.203 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.750 8.595 13.931 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.430 7.420 12.781 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.355 7.931 10.553 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.922 6.328 11.077 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.181 6.699 11.075 1.00 0.00 H new ATOM 686 N LYS A 41 6.142 4.394 14.861 1.00 0.00 N ATOM 687 CA LYS A 41 5.668 3.357 15.764 1.00 0.00 C ATOM 688 C LYS A 41 5.801 3.707 17.258 1.00 0.00 C ATOM 689 O LYS A 41 5.463 2.876 18.102 1.00 0.00 O ATOM 690 CB LYS A 41 6.320 2.015 15.408 1.00 0.00 C ATOM 691 CG LYS A 41 5.804 1.370 14.111 1.00 0.00 C ATOM 692 CD LYS A 41 6.257 2.014 12.790 1.00 0.00 C ATOM 693 CE LYS A 41 7.783 2.014 12.619 1.00 0.00 C ATOM 694 NZ LYS A 41 8.176 2.442 11.264 1.00 0.00 N ATOM 0 H LYS A 41 5.393 4.751 14.267 1.00 0.00 H new ATOM 0 HA LYS A 41 4.592 3.273 15.614 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.396 2.162 15.320 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.159 1.319 16.232 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.115 0.325 14.104 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.714 1.378 14.137 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.803 1.479 11.956 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.891 3.040 12.747 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.233 2.679 13.356 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.172 1.014 12.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.189 2.675 11.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.991 1.672 10.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.625 3.281 10.991 1.00 0.00 H new ATOM 708 N GLY A 42 6.273 4.906 17.612 1.00 0.00 N ATOM 709 CA GLY A 42 6.422 5.352 18.991 1.00 0.00 C ATOM 710 C GLY A 42 7.729 6.125 19.164 1.00 0.00 C ATOM 711 O GLY A 42 8.491 6.271 18.207 1.00 0.00 O ATOM 0 H GLY A 42 6.567 5.605 16.930 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.579 5.985 19.268 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.409 4.492 19.661 1.00 0.00 H new ATOM 715 N PRO A 43 7.998 6.627 20.378 1.00 0.00 N ATOM 716 CA PRO A 43 9.190 7.403 20.681 1.00 0.00 C ATOM 717 C PRO A 43 10.403 6.475 20.796 1.00 0.00 C ATOM 718 O PRO A 43 10.974 6.327 21.875 1.00 0.00 O ATOM 719 CB PRO A 43 8.853 8.125 21.991 1.00 0.00 C ATOM 720 CG PRO A 43 7.942 7.125 22.705 1.00 0.00 C ATOM 721 CD PRO A 43 7.145 6.512 21.551 1.00 0.00 C ATOM 0 HA PRO A 43 9.456 8.122 19.906 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.748 8.344 22.574 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.349 9.075 21.811 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.514 6.372 23.247 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.292 7.615 23.430 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.899 5.470 21.755 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.202 7.039 21.403 1.00 0.00 H new ATOM 729 N ARG A 44 10.792 5.841 19.685 1.00 0.00 N ATOM 730 CA ARG A 44 11.918 4.917 19.641 1.00 0.00 C ATOM 731 C ARG A 44 12.884 5.298 18.518 1.00 0.00 C ATOM 732 O ARG A 44 13.769 6.126 18.726 1.00 0.00 O ATOM 733 CB ARG A 44 11.417 3.466 19.545 1.00 0.00 C ATOM 734 CG ARG A 44 10.483 3.120 20.710 1.00 0.00 C ATOM 735 CD ARG A 44 10.163 1.621 20.722 1.00 0.00 C ATOM 736 NE ARG A 44 8.882 1.359 21.393 1.00 0.00 N ATOM 737 CZ ARG A 44 7.679 1.558 20.829 1.00 0.00 C ATOM 738 NH1 ARG A 44 7.593 2.018 19.577 1.00 0.00 N ATOM 739 NH2 ARG A 44 6.567 1.301 21.521 1.00 0.00 N ATOM 0 H ARG A 44 10.326 5.959 18.785 1.00 0.00 H new ATOM 0 HA ARG A 44 12.484 4.990 20.570 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.892 3.322 18.601 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.268 2.785 19.544 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.949 3.405 21.653 1.00 0.00 H new ATOM 0 HG3 ARG A 44 9.560 3.693 20.625 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.125 1.246 19.699 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.961 1.080 21.230 1.00 0.00 H new ATOM 0 HE ARG A 44 8.908 1.003 22.349 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.442 2.219 19.048 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.679 2.168 19.151 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.631 0.954 22.478 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.654 1.452 21.093 1.00 0.00 H new ATOM 753 N THR A 45 12.746 4.702 17.331 1.00 0.00 N ATOM 754 CA THR A 45 13.629 4.922 16.202 1.00 0.00 C ATOM 755 C THR A 45 13.503 6.295 15.537 1.00 0.00 C ATOM 756 O THR A 45 13.319 6.380 14.325 1.00 0.00 O ATOM 757 CB THR A 45 13.397 3.802 15.182 1.00 0.00 C ATOM 758 OG1 THR A 45 13.099 2.591 15.854 1.00 0.00 O ATOM 759 CG2 THR A 45 14.654 3.629 14.329 1.00 0.00 C ATOM 0 H THR A 45 11.997 4.039 17.132 1.00 0.00 H new ATOM 0 HA THR A 45 14.647 4.905 16.590 1.00 0.00 H new ATOM 0 HB THR A 45 12.556 4.063 14.540 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.950 1.880 15.196 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.494 2.833 13.602 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.870 4.561 13.806 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.496 3.370 14.971 1.00 0.00 H new ATOM 767 N LEU A 46 13.634 7.382 16.295 1.00 0.00 N ATOM 768 CA LEU A 46 13.629 8.704 15.686 1.00 0.00 C ATOM 769 C LEU A 46 14.918 8.838 14.880 1.00 0.00 C ATOM 770 O LEU A 46 14.934 9.486 13.835 1.00 0.00 O ATOM 771 CB LEU A 46 13.477 9.809 16.736 1.00 0.00 C ATOM 772 CG LEU A 46 12.018 10.043 17.166 1.00 0.00 C ATOM 773 CD1 LEU A 46 11.359 8.811 17.793 1.00 0.00 C ATOM 774 CD2 LEU A 46 11.968 11.205 18.163 1.00 0.00 C ATOM 0 H LEU A 46 13.742 7.373 17.309 1.00 0.00 H new ATOM 0 HA LEU A 46 12.770 8.818 15.025 1.00 0.00 H new ATOM 0 HB2 LEU A 46 14.070 9.551 17.613 1.00 0.00 H new ATOM 0 HB3 LEU A 46 13.885 10.738 16.337 1.00 0.00 H new ATOM 0 HG LEU A 46 11.456 10.273 16.261 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.333 9.050 18.072 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.359 7.993 17.073 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.916 8.513 18.681 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.937 11.376 18.471 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.572 10.961 19.037 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.359 12.106 17.691 1.00 0.00 H new ATOM 786 N ASP A 47 15.995 8.196 15.350 1.00 0.00 N ATOM 787 CA ASP A 47 17.262 8.149 14.685 1.00 0.00 C ATOM 788 C ASP A 47 18.138 7.033 15.246 1.00 0.00 C ATOM 789 O ASP A 47 18.787 7.133 16.281 1.00 0.00 O ATOM 790 CB ASP A 47 17.976 9.487 14.662 1.00 0.00 C ATOM 791 CG ASP A 47 18.469 9.983 16.020 1.00 0.00 C ATOM 792 OD1 ASP A 47 17.605 10.226 16.890 1.00 0.00 O ATOM 793 OD2 ASP A 47 19.701 10.147 16.149 1.00 0.00 O ATOM 0 H ASP A 47 15.987 7.685 16.233 1.00 0.00 H new ATOM 0 HA ASP A 47 17.057 7.914 13.640 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.829 9.414 13.988 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.302 10.234 14.243 1.00 0.00 H new ATOM 798 N ASP A 48 18.117 5.963 14.473 1.00 0.00 N ATOM 799 CA ASP A 48 18.855 4.712 14.603 1.00 0.00 C ATOM 800 C ASP A 48 18.825 4.065 13.221 1.00 0.00 C ATOM 801 O ASP A 48 19.886 3.861 12.642 1.00 0.00 O ATOM 802 CB ASP A 48 18.300 3.841 15.732 1.00 0.00 C ATOM 803 CG ASP A 48 18.718 2.384 15.564 1.00 0.00 C ATOM 804 OD1 ASP A 48 19.914 2.105 15.799 1.00 0.00 O ATOM 805 OD2 ASP A 48 17.836 1.587 15.179 1.00 0.00 O ATOM 0 H ASP A 48 17.518 5.944 13.648 1.00 0.00 H new ATOM 0 HA ASP A 48 19.891 4.870 14.902 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.656 4.215 16.692 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.212 3.910 15.747 1.00 0.00 H new ATOM 810 N LEU A 49 17.635 3.801 12.655 1.00 0.00 N ATOM 811 CA LEU A 49 17.560 3.314 11.272 1.00 0.00 C ATOM 812 C LEU A 49 18.296 4.322 10.382 1.00 0.00 C ATOM 813 O LEU A 49 18.927 3.950 9.397 1.00 0.00 O ATOM 814 CB LEU A 49 16.123 2.990 10.820 1.00 0.00 C ATOM 815 CG LEU A 49 15.224 4.169 10.394 1.00 0.00 C ATOM 816 CD1 LEU A 49 15.475 4.589 8.936 1.00 0.00 C ATOM 817 CD2 LEU A 49 13.752 3.742 10.482 1.00 0.00 C ATOM 0 H LEU A 49 16.735 3.914 13.121 1.00 0.00 H new ATOM 0 HA LEU A 49 18.058 2.348 11.188 1.00 0.00 H new ATOM 0 HB2 LEU A 49 16.183 2.294 9.983 1.00 0.00 H new ATOM 0 HB3 LEU A 49 15.625 2.465 11.635 1.00 0.00 H new ATOM 0 HG LEU A 49 15.454 5.001 11.059 1.00 0.00 H new ATOM 0 HD11 LEU A 49 14.820 5.422 8.679 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.515 4.895 8.819 1.00 0.00 H new ATOM 0 HD13 LEU A 49 15.268 3.748 8.274 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.114 4.573 10.182 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.579 2.894 9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.517 3.456 11.507 1.00 0.00 H new ATOM 829 N PHE A 50 18.234 5.605 10.780 1.00 0.00 N ATOM 830 CA PHE A 50 18.968 6.730 10.207 1.00 0.00 C ATOM 831 C PHE A 50 20.386 6.302 9.804 1.00 0.00 C ATOM 832 O PHE A 50 20.866 6.650 8.729 1.00 0.00 O ATOM 833 CB PHE A 50 19.020 7.864 11.260 1.00 0.00 C ATOM 834 CG PHE A 50 20.399 8.299 11.743 1.00 0.00 C ATOM 835 CD1 PHE A 50 21.196 9.124 10.930 1.00 0.00 C ATOM 836 CD2 PHE A 50 20.945 7.764 12.927 1.00 0.00 C ATOM 837 CE1 PHE A 50 22.516 9.426 11.300 1.00 0.00 C ATOM 838 CE2 PHE A 50 22.269 8.059 13.294 1.00 0.00 C ATOM 839 CZ PHE A 50 23.060 8.882 12.475 1.00 0.00 C ATOM 0 H PHE A 50 17.635 5.893 11.554 1.00 0.00 H new ATOM 0 HA PHE A 50 18.463 7.082 9.307 1.00 0.00 H new ATOM 0 HB2 PHE A 50 18.517 8.736 10.843 1.00 0.00 H new ATOM 0 HB3 PHE A 50 18.442 7.547 12.128 1.00 0.00 H new ATOM 0 HD1 PHE A 50 20.790 9.528 10.015 1.00 0.00 H new ATOM 0 HD2 PHE A 50 20.343 7.124 13.555 1.00 0.00 H new ATOM 0 HE1 PHE A 50 23.114 10.078 10.680 1.00 0.00 H new ATOM 0 HE2 PHE A 50 22.679 7.653 14.207 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.083 9.096 12.748 1.00 0.00 H new ATOM 849 N GLN A 51 21.052 5.543 10.678 1.00 0.00 N ATOM 850 CA GLN A 51 22.416 5.083 10.507 1.00 0.00 C ATOM 851 C GLN A 51 22.607 4.340 9.179 1.00 0.00 C ATOM 852 O GLN A 51 23.658 4.445 8.555 1.00 0.00 O ATOM 853 CB GLN A 51 22.773 4.224 11.728 1.00 0.00 C ATOM 854 CG GLN A 51 24.275 3.923 11.807 1.00 0.00 C ATOM 855 CD GLN A 51 24.675 3.274 13.129 1.00 0.00 C ATOM 856 OE1 GLN A 51 25.759 3.526 13.644 1.00 0.00 O ATOM 857 NE2 GLN A 51 23.816 2.436 13.705 1.00 0.00 N ATOM 0 H GLN A 51 20.634 5.225 11.552 1.00 0.00 H new ATOM 0 HA GLN A 51 23.098 5.932 10.452 1.00 0.00 H new ATOM 0 HB2 GLN A 51 22.459 4.739 12.636 1.00 0.00 H new ATOM 0 HB3 GLN A 51 22.218 3.287 11.685 1.00 0.00 H new ATOM 0 HG2 GLN A 51 24.554 3.264 10.984 1.00 0.00 H new ATOM 0 HG3 GLN A 51 24.835 4.849 11.677 1.00 0.00 H new ATOM 0 HE21 GLN A 51 22.919 2.240 13.260 1.00 0.00 H new ATOM 0 HE22 GLN A 51 24.055 1.990 14.591 1.00 0.00 H new ATOM 866 N GLU A 52 21.588 3.604 8.731 1.00 0.00 N ATOM 867 CA GLU A 52 21.621 2.877 7.471 1.00 0.00 C ATOM 868 C GLU A 52 21.546 3.863 6.298 1.00 0.00 C ATOM 869 O GLU A 52 22.073 3.600 5.221 1.00 0.00 O ATOM 870 CB GLU A 52 20.436 1.902 7.410 1.00 0.00 C ATOM 871 CG GLU A 52 20.412 0.922 8.592 1.00 0.00 C ATOM 872 CD GLU A 52 19.167 0.043 8.541 1.00 0.00 C ATOM 873 OE1 GLU A 52 19.235 -1.001 7.857 1.00 0.00 O ATOM 874 OE2 GLU A 52 18.167 0.437 9.179 1.00 0.00 O ATOM 0 H GLU A 52 20.711 3.498 9.241 1.00 0.00 H new ATOM 0 HA GLU A 52 22.553 2.316 7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 52 19.505 2.469 7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 52 20.482 1.339 6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 52 21.305 0.297 8.570 1.00 0.00 H new ATOM 0 HG3 GLU A 52 20.433 1.476 9.530 1.00 0.00 H new ATOM 881 N LEU A 53 20.876 4.999 6.515 1.00 0.00 N ATOM 882 CA LEU A 53 20.660 6.046 5.528 1.00 0.00 C ATOM 883 C LEU A 53 21.841 7.032 5.498 1.00 0.00 C ATOM 884 O LEU A 53 22.074 7.713 4.497 1.00 0.00 O ATOM 885 CB LEU A 53 19.310 6.725 5.792 1.00 0.00 C ATOM 886 CG LEU A 53 18.156 5.730 6.013 1.00 0.00 C ATOM 887 CD1 LEU A 53 16.860 6.513 6.243 1.00 0.00 C ATOM 888 CD2 LEU A 53 17.948 4.753 4.849 1.00 0.00 C ATOM 0 H LEU A 53 20.456 5.217 7.419 1.00 0.00 H new ATOM 0 HA LEU A 53 20.617 5.609 4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 53 19.400 7.366 6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.066 7.371 4.949 1.00 0.00 H new ATOM 0 HG LEU A 53 18.424 5.129 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 53 16.037 5.816 6.400 1.00 0.00 H new ATOM 0 HD12 LEU A 53 16.970 7.149 7.121 1.00 0.00 H new ATOM 0 HD13 LEU A 53 16.649 7.132 5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 53 17.118 4.085 5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 53 17.723 5.312 3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 53 18.855 4.167 4.699 1.00 0.00 H new ATOM 900 N ASP A 54 22.590 7.102 6.602 1.00 0.00 N ATOM 901 CA ASP A 54 23.786 7.913 6.796 1.00 0.00 C ATOM 902 C ASP A 54 24.939 7.381 5.948 1.00 0.00 C ATOM 903 O ASP A 54 25.910 6.843 6.471 1.00 0.00 O ATOM 904 CB ASP A 54 24.134 7.875 8.292 1.00 0.00 C ATOM 905 CG ASP A 54 25.364 8.693 8.662 1.00 0.00 C ATOM 906 OD1 ASP A 54 25.700 9.643 7.922 1.00 0.00 O ATOM 907 OD2 ASP A 54 25.962 8.367 9.707 1.00 0.00 O ATOM 0 H ASP A 54 22.359 6.558 7.434 1.00 0.00 H new ATOM 0 HA ASP A 54 23.608 8.941 6.480 1.00 0.00 H new ATOM 0 HB2 ASP A 54 23.281 8.242 8.863 1.00 0.00 H new ATOM 0 HB3 ASP A 54 24.296 6.839 8.591 1.00 0.00 H new ATOM 912 N LYS A 55 24.828 7.556 4.630 1.00 0.00 N ATOM 913 CA LYS A 55 25.832 7.169 3.645 1.00 0.00 C ATOM 914 C LYS A 55 27.255 7.585 4.061 1.00 0.00 C ATOM 915 O LYS A 55 28.220 6.886 3.761 1.00 0.00 O ATOM 916 CB LYS A 55 25.437 7.800 2.300 1.00 0.00 C ATOM 917 CG LYS A 55 26.306 7.308 1.136 1.00 0.00 C ATOM 918 CD LYS A 55 25.844 7.956 -0.175 1.00 0.00 C ATOM 919 CE LYS A 55 26.638 7.433 -1.379 1.00 0.00 C ATOM 920 NZ LYS A 55 28.070 7.767 -1.287 1.00 0.00 N ATOM 0 H LYS A 55 24.006 7.987 4.207 1.00 0.00 H new ATOM 0 HA LYS A 55 25.856 6.082 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 55 24.392 7.572 2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 55 25.518 8.884 2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 55 27.352 7.553 1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 55 26.242 6.223 1.057 1.00 0.00 H new ATOM 0 HD2 LYS A 55 24.783 7.757 -0.325 1.00 0.00 H new ATOM 0 HD3 LYS A 55 25.959 9.038 -0.106 1.00 0.00 H new ATOM 0 HE2 LYS A 55 26.522 6.351 -1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 55 26.226 7.855 -2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 28.549 7.485 -2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 28.179 8.792 -1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 28.494 7.260 -0.484 1.00 0.00 H new ATOM 934 N ASN A 56 27.389 8.728 4.739 1.00 0.00 N ATOM 935 CA ASN A 56 28.665 9.287 5.173 1.00 0.00 C ATOM 936 C ASN A 56 29.285 8.515 6.340 1.00 0.00 C ATOM 937 O ASN A 56 30.481 8.654 6.577 1.00 0.00 O ATOM 938 CB ASN A 56 28.492 10.751 5.627 1.00 0.00 C ATOM 939 CG ASN A 56 27.630 11.603 4.699 1.00 0.00 C ATOM 940 OD1 ASN A 56 26.489 11.239 4.431 1.00 0.00 O ATOM 941 ND2 ASN A 56 28.133 12.732 4.207 1.00 0.00 N ATOM 0 H ASN A 56 26.590 9.303 5.007 1.00 0.00 H new ATOM 0 HA ASN A 56 29.326 9.217 4.309 1.00 0.00 H new ATOM 0 HB2 ASN A 56 28.049 10.760 6.623 1.00 0.00 H new ATOM 0 HB3 ASN A 56 29.477 11.211 5.712 1.00 0.00 H new ATOM 0 HD21 ASN A 56 27.567 13.317 3.592 1.00 0.00 H new ATOM 0 HD22 ASN A 56 29.084 13.013 4.445 1.00 0.00 H new ATOM 948 N GLY A 57 28.497 7.726 7.082 1.00 0.00 N ATOM 949 CA GLY A 57 28.985 6.988 8.238 1.00 0.00 C ATOM 950 C GLY A 57 29.528 7.957 9.288 1.00 0.00 C ATOM 951 O GLY A 57 30.689 7.873 9.681 1.00 0.00 O ATOM 0 H GLY A 57 27.505 7.586 6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 57 28.179 6.391 8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 57 29.768 6.294 7.932 1.00 0.00 H new ATOM 955 N ASP A 58 28.676 8.884 9.739 1.00 0.00 N ATOM 956 CA ASP A 58 29.025 9.909 10.711 1.00 0.00 C ATOM 957 C ASP A 58 27.765 10.415 11.417 1.00 0.00 C ATOM 958 O ASP A 58 27.540 10.107 12.585 1.00 0.00 O ATOM 959 CB ASP A 58 29.789 11.042 10.008 1.00 0.00 C ATOM 960 CG ASP A 58 30.000 12.235 10.935 1.00 0.00 C ATOM 961 OD1 ASP A 58 30.839 12.103 11.851 1.00 0.00 O ATOM 962 OD2 ASP A 58 29.307 13.252 10.712 1.00 0.00 O ATOM 0 H ASP A 58 27.706 8.938 9.428 1.00 0.00 H new ATOM 0 HA ASP A 58 29.678 9.490 11.477 1.00 0.00 H new ATOM 0 HB2 ASP A 58 30.755 10.672 9.664 1.00 0.00 H new ATOM 0 HB3 ASP A 58 29.237 11.360 9.124 1.00 0.00 H new ATOM 967 N GLY A 59 26.939 11.200 10.719 1.00 0.00 N ATOM 968 CA GLY A 59 25.724 11.749 11.300 1.00 0.00 C ATOM 969 C GLY A 59 24.969 12.604 10.290 1.00 0.00 C ATOM 970 O GLY A 59 24.691 13.772 10.556 1.00 0.00 O ATOM 0 H GLY A 59 27.096 11.467 9.747 1.00 0.00 H new ATOM 0 HA2 GLY A 59 25.083 10.937 11.645 1.00 0.00 H new ATOM 0 HA3 GLY A 59 25.975 12.350 12.174 1.00 0.00 H new ATOM 974 N GLU A 60 24.646 12.013 9.136 1.00 0.00 N ATOM 975 CA GLU A 60 23.937 12.636 8.027 1.00 0.00 C ATOM 976 C GLU A 60 22.864 11.688 7.498 1.00 0.00 C ATOM 977 O GLU A 60 22.785 10.552 7.954 1.00 0.00 O ATOM 978 CB GLU A 60 24.933 12.840 6.876 1.00 0.00 C ATOM 979 CG GLU A 60 26.056 13.839 7.196 1.00 0.00 C ATOM 980 CD GLU A 60 25.535 15.267 7.359 1.00 0.00 C ATOM 981 OE1 GLU A 60 24.718 15.679 6.507 1.00 0.00 O ATOM 982 OE2 GLU A 60 25.968 15.928 8.327 1.00 0.00 O ATOM 0 H GLU A 60 24.886 11.040 8.946 1.00 0.00 H new ATOM 0 HA GLU A 60 23.495 13.572 8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 60 25.377 11.879 6.618 1.00 0.00 H new ATOM 0 HB3 GLU A 60 24.391 13.187 5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 60 26.561 13.533 8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 60 26.799 13.815 6.399 1.00 0.00 H new ATOM 989 N VAL A 61 22.084 12.152 6.518 1.00 0.00 N ATOM 990 CA VAL A 61 21.127 11.379 5.736 1.00 0.00 C ATOM 991 C VAL A 61 20.949 12.095 4.399 1.00 0.00 C ATOM 992 O VAL A 61 20.506 13.243 4.360 1.00 0.00 O ATOM 993 CB VAL A 61 19.764 11.164 6.420 1.00 0.00 C ATOM 994 CG1 VAL A 61 18.870 10.328 5.500 1.00 0.00 C ATOM 995 CG2 VAL A 61 19.881 10.407 7.738 1.00 0.00 C ATOM 0 H VAL A 61 22.108 13.132 6.237 1.00 0.00 H new ATOM 0 HA VAL A 61 21.530 10.374 5.613 1.00 0.00 H new ATOM 0 HB VAL A 61 19.350 12.153 6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 61 17.903 10.171 5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 61 18.728 10.853 4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 61 19.342 9.364 5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 61 18.891 10.284 8.176 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.322 9.427 7.557 1.00 0.00 H new ATOM 0 HG23 VAL A 61 20.514 10.968 8.425 1.00 0.00 H new ATOM 1005 N SER A 62 21.302 11.406 3.314 1.00 0.00 N ATOM 1006 CA SER A 62 21.179 11.869 1.944 1.00 0.00 C ATOM 1007 C SER A 62 19.714 11.803 1.512 1.00 0.00 C ATOM 1008 O SER A 62 19.020 10.874 1.919 1.00 0.00 O ATOM 1009 CB SER A 62 21.985 10.905 1.076 1.00 0.00 C ATOM 1010 OG SER A 62 23.269 10.704 1.629 1.00 0.00 O ATOM 0 H SER A 62 21.699 10.468 3.376 1.00 0.00 H new ATOM 0 HA SER A 62 21.536 12.894 1.848 1.00 0.00 H new ATOM 0 HB2 SER A 62 21.462 9.952 0.997 1.00 0.00 H new ATOM 0 HB3 SER A 62 22.075 11.303 0.065 1.00 0.00 H new ATOM 0 HG SER A 62 23.775 10.083 1.064 1.00 0.00 H new ATOM 1016 N PHE A 63 19.237 12.743 0.690 1.00 0.00 N ATOM 1017 CA PHE A 63 17.850 12.735 0.224 1.00 0.00 C ATOM 1018 C PHE A 63 17.443 11.364 -0.327 1.00 0.00 C ATOM 1019 O PHE A 63 16.400 10.819 0.032 1.00 0.00 O ATOM 1020 CB PHE A 63 17.608 13.813 -0.840 1.00 0.00 C ATOM 1021 CG PHE A 63 16.164 13.818 -1.305 1.00 0.00 C ATOM 1022 CD1 PHE A 63 15.161 14.276 -0.430 1.00 0.00 C ATOM 1023 CD2 PHE A 63 15.801 13.111 -2.469 1.00 0.00 C ATOM 1024 CE1 PHE A 63 13.807 14.019 -0.707 1.00 0.00 C ATOM 1025 CE2 PHE A 63 14.447 12.850 -2.743 1.00 0.00 C ATOM 1026 CZ PHE A 63 13.451 13.293 -1.856 1.00 0.00 C ATOM 0 H PHE A 63 19.794 13.520 0.334 1.00 0.00 H new ATOM 0 HA PHE A 63 17.230 12.955 1.093 1.00 0.00 H new ATOM 0 HB2 PHE A 63 17.864 14.791 -0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 63 18.265 13.640 -1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 63 15.433 14.827 0.458 1.00 0.00 H new ATOM 0 HD2 PHE A 63 16.565 12.769 -3.152 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.041 14.379 -0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 63 14.172 12.309 -3.636 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.412 13.075 -2.057 1.00 0.00 H new ATOM 1036 N GLU A 64 18.286 10.805 -1.198 1.00 0.00 N ATOM 1037 CA GLU A 64 18.062 9.515 -1.836 1.00 0.00 C ATOM 1038 C GLU A 64 17.658 8.461 -0.803 1.00 0.00 C ATOM 1039 O GLU A 64 16.714 7.703 -1.019 1.00 0.00 O ATOM 1040 CB GLU A 64 19.324 9.054 -2.585 1.00 0.00 C ATOM 1041 CG GLU A 64 19.704 9.940 -3.786 1.00 0.00 C ATOM 1042 CD GLU A 64 20.347 11.277 -3.422 1.00 0.00 C ATOM 1043 OE1 GLU A 64 20.740 11.439 -2.245 1.00 0.00 O ATOM 1044 OE2 GLU A 64 20.432 12.130 -4.332 1.00 0.00 O ATOM 0 H GLU A 64 19.159 11.249 -1.482 1.00 0.00 H new ATOM 0 HA GLU A 64 17.249 9.633 -2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.160 9.031 -1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.173 8.033 -2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 64 20.391 9.385 -4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 64 18.807 10.133 -4.374 1.00 0.00 H new ATOM 1051 N GLU A 65 18.381 8.432 0.318 1.00 0.00 N ATOM 1052 CA GLU A 65 18.165 7.486 1.394 1.00 0.00 C ATOM 1053 C GLU A 65 16.980 7.919 2.265 1.00 0.00 C ATOM 1054 O GLU A 65 16.183 7.080 2.676 1.00 0.00 O ATOM 1055 CB GLU A 65 19.471 7.312 2.181 1.00 0.00 C ATOM 1056 CG GLU A 65 20.671 6.961 1.286 1.00 0.00 C ATOM 1057 CD GLU A 65 20.399 5.757 0.391 1.00 0.00 C ATOM 1058 OE1 GLU A 65 20.204 4.660 0.956 1.00 0.00 O ATOM 1059 OE2 GLU A 65 20.377 5.964 -0.843 1.00 0.00 O ATOM 0 H GLU A 65 19.146 9.082 0.499 1.00 0.00 H new ATOM 0 HA GLU A 65 17.895 6.509 0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 65 19.687 8.232 2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 65 19.338 6.527 2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 65 20.922 7.822 0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 65 21.539 6.756 1.912 1.00 0.00 H new ATOM 1066 N PHE A 66 16.846 9.223 2.533 1.00 0.00 N ATOM 1067 CA PHE A 66 15.751 9.801 3.313 1.00 0.00 C ATOM 1068 C PHE A 66 14.400 9.268 2.833 1.00 0.00 C ATOM 1069 O PHE A 66 13.516 9.001 3.645 1.00 0.00 O ATOM 1070 CB PHE A 66 15.795 11.332 3.225 1.00 0.00 C ATOM 1071 CG PHE A 66 14.626 12.045 3.873 1.00 0.00 C ATOM 1072 CD1 PHE A 66 14.421 11.954 5.262 1.00 0.00 C ATOM 1073 CD2 PHE A 66 13.740 12.799 3.080 1.00 0.00 C ATOM 1074 CE1 PHE A 66 13.316 12.593 5.850 1.00 0.00 C ATOM 1075 CE2 PHE A 66 12.653 13.462 3.674 1.00 0.00 C ATOM 1076 CZ PHE A 66 12.428 13.336 5.054 1.00 0.00 C ATOM 0 H PHE A 66 17.514 9.921 2.204 1.00 0.00 H new ATOM 0 HA PHE A 66 15.874 9.508 4.356 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.717 11.681 3.690 1.00 0.00 H new ATOM 0 HB3 PHE A 66 15.839 11.619 2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.112 11.394 5.875 1.00 0.00 H new ATOM 0 HD2 PHE A 66 13.896 12.868 2.014 1.00 0.00 H new ATOM 0 HE1 PHE A 66 13.149 12.513 6.914 1.00 0.00 H new ATOM 0 HE2 PHE A 66 11.992 14.067 3.071 1.00 0.00 H new ATOM 0 HZ PHE A 66 11.570 13.812 5.505 1.00 0.00 H new ATOM 1086 N GLN A 67 14.244 9.091 1.515 1.00 0.00 N ATOM 1087 CA GLN A 67 13.033 8.527 0.925 1.00 0.00 C ATOM 1088 C GLN A 67 12.579 7.267 1.681 1.00 0.00 C ATOM 1089 O GLN A 67 11.383 7.071 1.892 1.00 0.00 O ATOM 1090 CB GLN A 67 13.273 8.205 -0.554 1.00 0.00 C ATOM 1091 CG GLN A 67 13.507 9.475 -1.383 1.00 0.00 C ATOM 1092 CD GLN A 67 13.846 9.160 -2.835 1.00 0.00 C ATOM 1093 OE1 GLN A 67 13.176 9.629 -3.749 1.00 0.00 O ATOM 1094 NE2 GLN A 67 14.887 8.367 -3.068 1.00 0.00 N ATOM 0 H GLN A 67 14.958 9.337 0.830 1.00 0.00 H new ATOM 0 HA GLN A 67 12.237 9.268 1.005 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.136 7.546 -0.647 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.415 7.664 -0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.615 10.100 -1.347 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.318 10.052 -0.939 1.00 0.00 H new ATOM 0 HE21 GLN A 67 15.426 7.991 -2.288 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.146 8.134 -4.027 1.00 0.00 H new ATOM 1103 N VAL A 68 13.517 6.415 2.109 1.00 0.00 N ATOM 1104 CA VAL A 68 13.189 5.206 2.853 1.00 0.00 C ATOM 1105 C VAL A 68 12.478 5.614 4.147 1.00 0.00 C ATOM 1106 O VAL A 68 11.396 5.117 4.450 1.00 0.00 O ATOM 1107 CB VAL A 68 14.455 4.372 3.125 1.00 0.00 C ATOM 1108 CG1 VAL A 68 14.115 3.097 3.909 1.00 0.00 C ATOM 1109 CG2 VAL A 68 15.148 3.972 1.815 1.00 0.00 C ATOM 0 H VAL A 68 14.516 6.547 1.948 1.00 0.00 H new ATOM 0 HA VAL A 68 12.522 4.572 2.269 1.00 0.00 H new ATOM 0 HB VAL A 68 15.127 4.996 3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.026 2.526 4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.662 3.366 4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.415 2.492 3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.038 3.384 2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.464 3.378 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.434 4.869 1.266 1.00 0.00 H new ATOM 1119 N LEU A 69 13.074 6.537 4.906 1.00 0.00 N ATOM 1120 CA LEU A 69 12.491 7.024 6.149 1.00 0.00 C ATOM 1121 C LEU A 69 11.096 7.587 5.868 1.00 0.00 C ATOM 1122 O LEU A 69 10.168 7.318 6.626 1.00 0.00 O ATOM 1123 CB LEU A 69 13.427 8.036 6.818 1.00 0.00 C ATOM 1124 CG LEU A 69 12.876 8.616 8.129 1.00 0.00 C ATOM 1125 CD1 LEU A 69 12.529 7.560 9.186 1.00 0.00 C ATOM 1126 CD2 LEU A 69 13.940 9.547 8.714 1.00 0.00 C ATOM 0 H LEU A 69 13.971 6.964 4.673 1.00 0.00 H new ATOM 0 HA LEU A 69 12.373 6.204 6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.384 7.555 7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.620 8.853 6.123 1.00 0.00 H new ATOM 0 HG LEU A 69 11.946 9.130 7.884 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.147 8.052 10.080 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.770 6.885 8.791 1.00 0.00 H new ATOM 0 HD13 LEU A 69 13.424 6.991 9.439 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.576 9.975 9.648 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.852 8.982 8.905 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.151 10.348 8.006 1.00 0.00 H new ATOM 1138 N VAL A 70 10.935 8.342 4.774 1.00 0.00 N ATOM 1139 CA VAL A 70 9.627 8.868 4.394 1.00 0.00 C ATOM 1140 C VAL A 70 8.644 7.699 4.232 1.00 0.00 C ATOM 1141 O VAL A 70 7.538 7.746 4.764 1.00 0.00 O ATOM 1142 CB VAL A 70 9.721 9.742 3.128 1.00 0.00 C ATOM 1143 CG1 VAL A 70 8.343 10.232 2.665 1.00 0.00 C ATOM 1144 CG2 VAL A 70 10.598 10.972 3.385 1.00 0.00 C ATOM 0 H VAL A 70 11.693 8.599 4.142 1.00 0.00 H new ATOM 0 HA VAL A 70 9.253 9.523 5.181 1.00 0.00 H new ATOM 0 HB VAL A 70 10.158 9.115 2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.456 10.844 1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.709 9.375 2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.884 10.826 3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.652 11.576 2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.166 11.565 4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.601 10.651 3.667 1.00 0.00 H new ATOM 1154 N LYS A 71 9.029 6.630 3.523 1.00 0.00 N ATOM 1155 CA LYS A 71 8.152 5.469 3.389 1.00 0.00 C ATOM 1156 C LYS A 71 7.822 4.888 4.773 1.00 0.00 C ATOM 1157 O LYS A 71 6.692 4.465 5.012 1.00 0.00 O ATOM 1158 CB LYS A 71 8.766 4.398 2.475 1.00 0.00 C ATOM 1159 CG LYS A 71 8.964 4.850 1.020 1.00 0.00 C ATOM 1160 CD LYS A 71 7.635 5.078 0.287 1.00 0.00 C ATOM 1161 CE LYS A 71 7.858 5.320 -1.211 1.00 0.00 C ATOM 1162 NZ LYS A 71 8.672 6.526 -1.458 1.00 0.00 N ATOM 0 H LYS A 71 9.925 6.548 3.043 1.00 0.00 H new ATOM 0 HA LYS A 71 7.225 5.800 2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.730 4.096 2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.125 3.516 2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.545 5.772 1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.545 4.098 0.486 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.988 4.212 0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.119 5.934 0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.352 4.453 -1.649 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.894 5.424 -1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.729 6.703 -2.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.232 7.344 -0.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.629 6.383 -1.078 1.00 0.00 H new ATOM 1176 N LYS A 72 8.796 4.861 5.691 1.00 0.00 N ATOM 1177 CA LYS A 72 8.576 4.347 7.036 1.00 0.00 C ATOM 1178 C LYS A 72 7.616 5.182 7.898 1.00 0.00 C ATOM 1179 O LYS A 72 7.159 4.641 8.908 1.00 0.00 O ATOM 1180 CB LYS A 72 9.901 4.119 7.786 1.00 0.00 C ATOM 1181 CG LYS A 72 10.866 3.117 7.132 1.00 0.00 C ATOM 1182 CD LYS A 72 10.228 1.782 6.726 1.00 0.00 C ATOM 1183 CE LYS A 72 9.525 1.055 7.882 1.00 0.00 C ATOM 1184 NZ LYS A 72 10.447 0.734 8.984 1.00 0.00 N ATOM 0 H LYS A 72 9.745 5.192 5.520 1.00 0.00 H new ATOM 0 HA LYS A 72 8.081 3.389 6.876 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.412 5.077 7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.673 3.773 8.794 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.303 3.579 6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.684 2.917 7.824 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.506 1.962 5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.000 1.131 6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.714 1.677 8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.074 0.135 7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.927 0.244 9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.208 0.118 8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.858 1.612 9.359 1.00 0.00 H new ATOM 1198 N ILE A 73 7.300 6.443 7.550 1.00 0.00 N ATOM 1199 CA ILE A 73 6.395 7.303 8.331 1.00 0.00 C ATOM 1200 C ILE A 73 5.094 6.537 8.596 1.00 0.00 C ATOM 1201 O ILE A 73 4.232 6.453 7.725 1.00 0.00 O ATOM 1202 CB ILE A 73 6.104 8.650 7.629 1.00 0.00 C ATOM 1203 CG1 ILE A 73 7.384 9.447 7.314 1.00 0.00 C ATOM 1204 CG2 ILE A 73 5.182 9.502 8.519 1.00 0.00 C ATOM 1205 CD1 ILE A 73 7.113 10.641 6.389 1.00 0.00 C ATOM 0 H ILE A 73 7.668 6.896 6.713 1.00 0.00 H new ATOM 0 HA ILE A 73 6.885 7.550 9.273 1.00 0.00 H new ATOM 0 HB ILE A 73 5.622 8.420 6.679 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.826 9.804 8.245 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.115 8.787 6.847 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.976 10.452 8.025 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.246 8.970 8.687 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.670 9.689 9.475 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.046 11.171 6.196 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.697 10.284 5.447 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.403 11.317 6.866 1.00 0.00 H new ATOM 1217 N SER A 74 4.963 5.963 9.798 1.00 0.00 N ATOM 1218 CA SER A 74 3.840 5.122 10.197 1.00 0.00 C ATOM 1219 C SER A 74 3.458 4.124 9.098 1.00 0.00 C ATOM 1220 O SER A 74 2.276 3.873 8.879 1.00 0.00 O ATOM 1221 CB SER A 74 2.665 5.991 10.648 1.00 0.00 C ATOM 1222 OG SER A 74 3.073 6.750 11.768 1.00 0.00 O ATOM 0 H SER A 74 5.657 6.077 10.537 1.00 0.00 H new ATOM 0 HA SER A 74 4.144 4.516 11.051 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.348 6.649 9.839 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.809 5.367 10.905 1.00 0.00 H new ATOM 0 HG SER A 74 4.048 6.852 11.756 1.00 0.00 H new ATOM 1228 N GLN A 75 4.482 3.567 8.434 1.00 0.00 N ATOM 1229 CA GLN A 75 4.430 2.577 7.361 1.00 0.00 C ATOM 1230 C GLN A 75 3.031 2.008 7.073 1.00 0.00 C ATOM 1231 O GLN A 75 2.759 0.887 7.504 1.00 0.00 O ATOM 1232 CB GLN A 75 5.465 1.476 7.633 1.00 0.00 C ATOM 1233 CG GLN A 75 5.449 1.075 9.109 1.00 0.00 C ATOM 1234 CD GLN A 75 6.329 -0.136 9.376 1.00 0.00 C ATOM 1235 OE1 GLN A 75 7.413 -0.010 9.937 1.00 0.00 O ATOM 1236 NE2 GLN A 75 5.870 -1.319 8.979 1.00 0.00 N ATOM 1237 OXT GLN A 75 2.323 2.604 6.262 1.00 0.00 O ATOM 0 H GLN A 75 5.444 3.822 8.656 1.00 0.00 H new ATOM 0 HA GLN A 75 4.685 3.099 6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.251 0.606 7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.459 1.828 7.357 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.790 1.913 9.717 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.426 0.855 9.415 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.964 -1.385 8.516 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.424 -2.160 9.138 1.00 0.00 H new TER 1246 GLN A 75