USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 701 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 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 59 THR OG1 : rot -38:sc= 0.314 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0.957 (180deg=0.902) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 4 THR OG1 : rot -168:sc= -0.49 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -134:sc= -3.02 (180deg=-5.46!) USER MOD Single : A 26 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.33) USER MOD Single : A 27 ASN : amide:sc= -0.161 K(o=-0.16,f=-2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -17:sc= 0.763 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0163 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0358) USER MOD Single : A 47 HIS :FLIP no HE2:sc= -0.776 F(o=-1.4,f=-0.78) USER MOD Single : A 48 TYR OH : rot -61:sc= 1.71 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 58 HIS : no HD1:sc= -0.0197 X(o=-0.02,f=-0.0068) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN :FLIP amide:sc= -4.12! C(o=-7.4!,f=-4.1!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot -78:sc= 1.3 USER MOD Single : A 72 HIS : no HD1:sc= -0.205 X(o=-0.2,f=-0.041) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.0795 K(o=-0.079,f=-0.67) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.536 -0.609 -3.930 1.00 25.51 N ATOM 2 CA MET A 1 2.287 0.105 -2.904 1.00 13.51 C ATOM 3 C MET A 1 2.944 1.355 -3.482 1.00 73.22 C ATOM 4 O MET A 1 2.900 1.588 -4.690 1.00 31.03 O ATOM 5 CB MET A 1 3.351 -0.807 -2.291 1.00 35.13 C ATOM 6 CG MET A 1 2.850 -1.609 -1.100 1.00 62.35 C ATOM 7 SD MET A 1 4.003 -1.588 0.286 1.00 40.42 S ATOM 8 CE MET A 1 3.733 -3.218 0.976 1.00 21.12 C ATOM 0 H1 MET A 1 0.976 -1.365 -3.487 1.00 25.51 H new ATOM 0 H2 MET A 1 0.899 0.053 -4.418 1.00 25.51 H new ATOM 0 H3 MET A 1 2.196 -1.025 -4.618 1.00 25.51 H new ATOM 0 HA MET A 1 1.588 0.410 -2.125 1.00 13.51 H new ATOM 0 HB2 MET A 1 3.713 -1.495 -3.055 1.00 35.13 H new ATOM 0 HB3 MET A 1 4.202 -0.201 -1.979 1.00 35.13 H new ATOM 0 HG2 MET A 1 1.890 -1.208 -0.775 1.00 62.35 H new ATOM 0 HG3 MET A 1 2.677 -2.640 -1.408 1.00 62.35 H new ATOM 0 HE1 MET A 1 4.377 -3.357 1.844 1.00 21.12 H new ATOM 0 HE2 MET A 1 2.690 -3.317 1.278 1.00 21.12 H new ATOM 0 HE3 MET A 1 3.967 -3.974 0.226 1.00 21.12 H new ATOM 18 N ALA A 2 3.552 2.155 -2.612 1.00 73.24 N ATOM 19 CA ALA A 2 4.219 3.379 -3.037 1.00 71.05 C ATOM 20 C ALA A 2 5.296 3.085 -4.076 1.00 73.15 C ATOM 21 O ALA A 2 5.734 3.978 -4.802 1.00 50.13 O ATOM 22 CB ALA A 2 4.822 4.095 -1.838 1.00 53.31 C ATOM 0 H ALA A 2 3.596 1.977 -1.609 1.00 73.24 H new ATOM 0 HA ALA A 2 3.474 4.028 -3.497 1.00 71.05 H new ATOM 0 HB1 ALA A 2 5.317 5.008 -2.170 1.00 53.31 H new ATOM 0 HB2 ALA A 2 4.033 4.348 -1.130 1.00 53.31 H new ATOM 0 HB3 ALA A 2 5.549 3.444 -1.353 1.00 53.31 H new ATOM 28 N THR A 3 5.720 1.827 -4.143 1.00 32.41 N ATOM 29 CA THR A 3 6.747 1.415 -5.092 1.00 13.33 C ATOM 30 C THR A 3 6.417 1.894 -6.501 1.00 33.31 C ATOM 31 O THR A 3 7.142 2.704 -7.079 1.00 70.32 O ATOM 32 CB THR A 3 6.916 -0.116 -5.108 1.00 13.31 C ATOM 33 OG1 THR A 3 5.658 -0.750 -4.852 1.00 32.21 O ATOM 34 CG2 THR A 3 7.934 -0.559 -4.068 1.00 51.21 C ATOM 0 H THR A 3 5.368 1.075 -3.551 1.00 32.41 H new ATOM 0 HA THR A 3 7.681 1.872 -4.765 1.00 13.33 H new ATOM 0 HB THR A 3 7.276 -0.410 -6.094 1.00 13.31 H new ATOM 0 HG1 THR A 3 5.773 -1.723 -4.866 1.00 32.21 H new ATOM 0 HG21 THR A 3 8.036 -1.644 -4.098 1.00 51.21 H new ATOM 0 HG22 THR A 3 8.898 -0.097 -4.283 1.00 51.21 H new ATOM 0 HG23 THR A 3 7.598 -0.254 -3.077 1.00 51.21 H new ATOM 42 N THR A 4 5.316 1.388 -7.050 1.00 45.21 N ATOM 43 CA THR A 4 4.890 1.764 -8.392 1.00 64.33 C ATOM 44 C THR A 4 3.953 2.965 -8.356 1.00 35.14 C ATOM 45 O THR A 4 3.776 3.658 -9.358 1.00 72.40 O ATOM 46 CB THR A 4 4.182 0.596 -9.104 1.00 64.44 C ATOM 47 OG1 THR A 4 3.764 1.001 -10.413 1.00 22.44 O ATOM 48 CG2 THR A 4 2.977 0.125 -8.304 1.00 64.43 C ATOM 0 H THR A 4 4.704 0.717 -6.585 1.00 45.21 H new ATOM 0 HA THR A 4 5.791 2.027 -8.947 1.00 64.33 H new ATOM 0 HB THR A 4 4.888 -0.231 -9.188 1.00 64.44 H new ATOM 0 HG1 THR A 4 3.150 0.332 -10.782 1.00 22.44 H new ATOM 0 HG21 THR A 4 2.493 -0.700 -8.827 1.00 64.43 H new ATOM 0 HG22 THR A 4 3.303 -0.210 -7.319 1.00 64.43 H new ATOM 0 HG23 THR A 4 2.271 0.947 -8.192 1.00 64.43 H new ATOM 56 N TYR A 5 3.354 3.207 -7.195 1.00 22.14 N ATOM 57 CA TYR A 5 2.433 4.324 -7.028 1.00 55.31 C ATOM 58 C TYR A 5 3.192 5.639 -6.879 1.00 53.35 C ATOM 59 O TYR A 5 2.958 6.591 -7.624 1.00 72.40 O ATOM 60 CB TYR A 5 1.539 4.098 -5.808 1.00 34.13 C ATOM 61 CG TYR A 5 0.411 3.122 -6.056 1.00 32.11 C ATOM 62 CD1 TYR A 5 -0.350 3.190 -7.217 1.00 12.24 C ATOM 63 CD2 TYR A 5 0.106 2.132 -5.130 1.00 15.32 C ATOM 64 CE1 TYR A 5 -1.382 2.301 -7.447 1.00 51.15 C ATOM 65 CE2 TYR A 5 -0.923 1.238 -5.353 1.00 55.10 C ATOM 66 CZ TYR A 5 -1.664 1.327 -6.513 1.00 74.41 C ATOM 67 OH TYR A 5 -2.691 0.439 -6.738 1.00 72.44 O ATOM 0 H TYR A 5 3.490 2.644 -6.356 1.00 22.14 H new ATOM 0 HA TYR A 5 1.810 4.384 -7.921 1.00 55.31 H new ATOM 0 HB2 TYR A 5 2.150 3.732 -4.983 1.00 34.13 H new ATOM 0 HB3 TYR A 5 1.119 5.054 -5.494 1.00 34.13 H new ATOM 0 HD1 TYR A 5 -0.131 3.951 -7.952 1.00 12.24 H new ATOM 0 HD2 TYR A 5 0.683 2.060 -4.220 1.00 15.32 H new ATOM 0 HE1 TYR A 5 -1.965 2.369 -8.354 1.00 51.15 H new ATOM 0 HE2 TYR A 5 -1.146 0.474 -4.623 1.00 55.10 H new ATOM 0 HH TYR A 5 -2.757 -0.183 -5.984 1.00 72.44 H new ATOM 77 N GLU A 6 4.103 5.683 -5.912 1.00 54.12 N ATOM 78 CA GLU A 6 4.897 6.881 -5.665 1.00 74.12 C ATOM 79 C GLU A 6 5.791 7.197 -6.860 1.00 63.45 C ATOM 80 O GLU A 6 6.248 8.327 -7.025 1.00 14.40 O ATOM 81 CB GLU A 6 5.750 6.704 -4.408 1.00 24.51 C ATOM 82 CG GLU A 6 6.192 8.016 -3.782 1.00 32.32 C ATOM 83 CD GLU A 6 7.240 7.824 -2.703 1.00 31.11 C ATOM 84 OE1 GLU A 6 6.946 7.127 -1.709 1.00 4.12 O ATOM 85 OE2 GLU A 6 8.353 8.370 -2.852 1.00 53.21 O ATOM 0 H GLU A 6 4.309 4.904 -5.287 1.00 54.12 H new ATOM 0 HA GLU A 6 4.212 7.716 -5.515 1.00 74.12 H new ATOM 0 HB2 GLU A 6 5.184 6.133 -3.672 1.00 24.51 H new ATOM 0 HB3 GLU A 6 6.632 6.115 -4.658 1.00 24.51 H new ATOM 0 HG2 GLU A 6 6.591 8.669 -4.559 1.00 32.32 H new ATOM 0 HG3 GLU A 6 5.325 8.521 -3.356 1.00 32.32 H new ATOM 92 N GLU A 7 6.037 6.188 -7.691 1.00 2.11 N ATOM 93 CA GLU A 7 6.878 6.358 -8.870 1.00 23.01 C ATOM 94 C GLU A 7 6.054 6.836 -10.062 1.00 20.41 C ATOM 95 O GLU A 7 6.521 7.636 -10.873 1.00 15.23 O ATOM 96 CB GLU A 7 7.581 5.044 -9.216 1.00 24.31 C ATOM 97 CG GLU A 7 8.864 5.230 -10.009 1.00 72.03 C ATOM 98 CD GLU A 7 9.734 3.988 -10.011 1.00 42.31 C ATOM 99 OE1 GLU A 7 9.281 2.946 -9.493 1.00 51.13 O ATOM 100 OE2 GLU A 7 10.868 4.059 -10.530 1.00 31.44 O ATOM 0 H GLU A 7 5.666 5.246 -7.569 1.00 2.11 H new ATOM 0 HA GLU A 7 7.629 7.115 -8.643 1.00 23.01 H new ATOM 0 HB2 GLU A 7 7.808 4.510 -8.294 1.00 24.31 H new ATOM 0 HB3 GLU A 7 6.898 4.416 -9.788 1.00 24.31 H new ATOM 0 HG2 GLU A 7 8.616 5.497 -11.036 1.00 72.03 H new ATOM 0 HG3 GLU A 7 9.428 6.063 -9.590 1.00 72.03 H new ATOM 107 N PHE A 8 4.826 6.338 -10.162 1.00 12.21 N ATOM 108 CA PHE A 8 3.936 6.712 -11.255 1.00 41.11 C ATOM 109 C PHE A 8 3.304 8.077 -10.999 1.00 52.01 C ATOM 110 O PHE A 8 3.140 8.879 -11.918 1.00 2.21 O ATOM 111 CB PHE A 8 2.843 5.657 -11.435 1.00 31.31 C ATOM 112 CG PHE A 8 3.259 4.504 -12.303 1.00 43.35 C ATOM 113 CD1 PHE A 8 2.407 4.011 -13.278 1.00 62.21 C ATOM 114 CD2 PHE A 8 4.503 3.914 -12.145 1.00 11.12 C ATOM 115 CE1 PHE A 8 2.787 2.951 -14.079 1.00 64.44 C ATOM 116 CE2 PHE A 8 4.889 2.854 -12.943 1.00 53.14 C ATOM 117 CZ PHE A 8 4.030 2.371 -13.911 1.00 35.11 C ATOM 0 H PHE A 8 4.425 5.675 -9.499 1.00 12.21 H new ATOM 0 HA PHE A 8 4.528 6.771 -12.168 1.00 41.11 H new ATOM 0 HB2 PHE A 8 2.551 5.277 -10.456 1.00 31.31 H new ATOM 0 HB3 PHE A 8 1.962 6.129 -11.870 1.00 31.31 H new ATOM 0 HD1 PHE A 8 1.434 4.460 -13.414 1.00 62.21 H new ATOM 0 HD2 PHE A 8 5.179 4.287 -11.389 1.00 11.12 H new ATOM 0 HE1 PHE A 8 2.113 2.576 -14.835 1.00 64.44 H new ATOM 0 HE2 PHE A 8 5.862 2.404 -12.810 1.00 53.14 H new ATOM 0 HZ PHE A 8 4.329 1.542 -14.535 1.00 35.11 H new ATOM 127 N ALA A 9 2.950 8.333 -9.744 1.00 30.51 N ATOM 128 CA ALA A 9 2.337 9.600 -9.366 1.00 22.12 C ATOM 129 C ALA A 9 3.314 10.757 -9.544 1.00 24.14 C ATOM 130 O ALA A 9 2.909 11.914 -9.646 1.00 53.15 O ATOM 131 CB ALA A 9 1.844 9.539 -7.928 1.00 11.33 C ATOM 0 H ALA A 9 3.077 7.679 -8.972 1.00 30.51 H new ATOM 0 HA ALA A 9 1.485 9.774 -10.023 1.00 22.12 H new ATOM 0 HB1 ALA A 9 1.388 10.492 -7.659 1.00 11.33 H new ATOM 0 HB2 ALA A 9 1.106 8.743 -7.830 1.00 11.33 H new ATOM 0 HB3 ALA A 9 2.684 9.338 -7.263 1.00 11.33 H new ATOM 137 N ALA A 10 4.604 10.436 -9.578 1.00 53.42 N ATOM 138 CA ALA A 10 5.638 11.449 -9.745 1.00 5.32 C ATOM 139 C ALA A 10 5.905 11.724 -11.221 1.00 23.11 C ATOM 140 O ALA A 10 6.273 12.836 -11.600 1.00 1.12 O ATOM 141 CB ALA A 10 6.919 11.016 -9.047 1.00 30.52 C ATOM 0 H ALA A 10 4.957 9.483 -9.492 1.00 53.42 H new ATOM 0 HA ALA A 10 5.283 12.373 -9.289 1.00 5.32 H new ATOM 0 HB1 ALA A 10 7.683 11.782 -9.180 1.00 30.52 H new ATOM 0 HB2 ALA A 10 6.725 10.878 -7.983 1.00 30.52 H new ATOM 0 HB3 ALA A 10 7.268 10.077 -9.477 1.00 30.52 H new ATOM 147 N LYS A 11 5.719 10.703 -12.051 1.00 15.31 N ATOM 148 CA LYS A 11 5.938 10.834 -13.486 1.00 63.34 C ATOM 149 C LYS A 11 4.676 11.325 -14.188 1.00 32.43 C ATOM 150 O LYS A 11 4.747 11.996 -15.218 1.00 13.43 O ATOM 151 CB LYS A 11 6.376 9.493 -14.080 1.00 73.21 C ATOM 152 CG LYS A 11 7.882 9.298 -14.097 1.00 71.43 C ATOM 153 CD LYS A 11 8.259 7.911 -14.591 1.00 31.10 C ATOM 154 CE LYS A 11 9.309 7.977 -15.689 1.00 24.40 C ATOM 155 NZ LYS A 11 9.864 6.632 -16.008 1.00 34.34 N ATOM 0 H LYS A 11 5.417 9.775 -11.754 1.00 15.31 H new ATOM 0 HA LYS A 11 6.727 11.569 -13.642 1.00 63.34 H new ATOM 0 HB2 LYS A 11 5.920 8.685 -13.507 1.00 73.21 H new ATOM 0 HB3 LYS A 11 5.997 9.415 -15.099 1.00 73.21 H new ATOM 0 HG2 LYS A 11 8.340 10.051 -14.739 1.00 71.43 H new ATOM 0 HG3 LYS A 11 8.281 9.449 -13.094 1.00 71.43 H new ATOM 0 HD2 LYS A 11 8.638 7.318 -13.759 1.00 31.10 H new ATOM 0 HD3 LYS A 11 7.370 7.403 -14.966 1.00 31.10 H new ATOM 0 HE2 LYS A 11 8.869 8.410 -16.587 1.00 24.40 H new ATOM 0 HE3 LYS A 11 10.117 8.639 -15.379 1.00 24.40 H new ATOM 0 HZ1 LYS A 11 10.576 6.720 -16.761 1.00 34.34 H new ATOM 0 HZ2 LYS A 11 10.307 6.229 -15.158 1.00 34.34 H new ATOM 0 HZ3 LYS A 11 9.097 6.007 -16.328 1.00 34.34 H new ATOM 169 N LEU A 12 3.522 10.987 -13.623 1.00 73.43 N ATOM 170 CA LEU A 12 2.243 11.394 -14.194 1.00 15.52 C ATOM 171 C LEU A 12 1.948 12.858 -13.880 1.00 31.35 C ATOM 172 O LEU A 12 1.194 13.517 -14.595 1.00 50.13 O ATOM 173 CB LEU A 12 1.117 10.509 -13.657 1.00 33.01 C ATOM 174 CG LEU A 12 0.770 9.280 -14.498 1.00 40.12 C ATOM 175 CD1 LEU A 12 -0.061 9.678 -15.708 1.00 14.53 C ATOM 176 CD2 LEU A 12 2.036 8.557 -14.934 1.00 4.52 C ATOM 0 H LEU A 12 3.446 10.432 -12.770 1.00 73.43 H new ATOM 0 HA LEU A 12 2.303 11.278 -15.276 1.00 15.52 H new ATOM 0 HB2 LEU A 12 1.391 10.174 -12.656 1.00 33.01 H new ATOM 0 HB3 LEU A 12 0.220 11.119 -13.554 1.00 33.01 H new ATOM 0 HG LEU A 12 0.179 8.600 -13.885 1.00 40.12 H new ATOM 0 HD11 LEU A 12 -0.298 8.790 -16.294 1.00 14.53 H new ATOM 0 HD12 LEU A 12 -0.985 10.151 -15.375 1.00 14.53 H new ATOM 0 HD13 LEU A 12 0.504 10.379 -16.323 1.00 14.53 H new ATOM 0 HD21 LEU A 12 1.770 7.685 -15.531 1.00 4.52 H new ATOM 0 HD22 LEU A 12 2.653 9.230 -15.529 1.00 4.52 H new ATOM 0 HD23 LEU A 12 2.594 8.237 -14.054 1.00 4.52 H new ATOM 188 N ASP A 13 2.549 13.359 -12.806 1.00 41.44 N ATOM 189 CA ASP A 13 2.354 14.746 -12.399 1.00 20.01 C ATOM 190 C ASP A 13 2.812 15.704 -13.494 1.00 62.12 C ATOM 191 O ASP A 13 2.479 16.889 -13.475 1.00 62.13 O ATOM 192 CB ASP A 13 3.115 15.031 -11.103 1.00 44.14 C ATOM 193 CG ASP A 13 2.189 15.277 -9.929 1.00 74.02 C ATOM 194 OD1 ASP A 13 2.537 14.868 -8.802 1.00 22.42 O ATOM 195 OD2 ASP A 13 1.115 15.879 -10.137 1.00 50.54 O ATOM 0 H ASP A 13 3.175 12.826 -12.202 1.00 41.44 H new ATOM 0 HA ASP A 13 1.289 14.902 -12.228 1.00 20.01 H new ATOM 0 HB2 ASP A 13 3.768 14.188 -10.876 1.00 44.14 H new ATOM 0 HB3 ASP A 13 3.755 15.902 -11.245 1.00 44.14 H new ATOM 200 N ARG A 14 3.578 15.182 -14.447 1.00 5.43 N ATOM 201 CA ARG A 14 4.084 15.992 -15.549 1.00 24.23 C ATOM 202 C ARG A 14 3.209 15.831 -16.788 1.00 60.42 C ATOM 203 O ARG A 14 3.464 16.444 -17.825 1.00 54.34 O ATOM 204 CB ARG A 14 5.527 15.602 -15.876 1.00 31.42 C ATOM 205 CG ARG A 14 6.562 16.546 -15.286 1.00 71.22 C ATOM 206 CD ARG A 14 6.462 16.606 -13.770 1.00 74.30 C ATOM 207 NE ARG A 14 7.753 16.378 -13.127 1.00 33.24 N ATOM 208 CZ ARG A 14 7.889 16.070 -11.842 1.00 3.14 C ATOM 209 NH1 ARG A 14 6.820 15.954 -11.067 1.00 75.30 N ATOM 210 NH2 ARG A 14 9.098 15.878 -11.329 1.00 70.41 N ATOM 0 H ARG A 14 3.862 14.203 -14.478 1.00 5.43 H new ATOM 0 HA ARG A 14 4.058 17.037 -15.241 1.00 24.23 H new ATOM 0 HB2 ARG A 14 5.715 14.594 -15.506 1.00 31.42 H new ATOM 0 HB3 ARG A 14 5.650 15.572 -16.959 1.00 31.42 H new ATOM 0 HG2 ARG A 14 7.561 16.218 -15.573 1.00 71.22 H new ATOM 0 HG3 ARG A 14 6.423 17.545 -15.701 1.00 71.22 H new ATOM 0 HD2 ARG A 14 6.075 17.580 -13.471 1.00 74.30 H new ATOM 0 HD3 ARG A 14 5.748 15.859 -13.424 1.00 74.30 H new ATOM 0 HE ARG A 14 8.596 16.460 -13.695 1.00 33.24 H new ATOM 0 HH11 ARG A 14 5.889 16.101 -11.457 1.00 75.30 H new ATOM 0 HH12 ARG A 14 6.928 15.717 -10.081 1.00 75.30 H new ATOM 0 HH21 ARG A 14 9.923 15.967 -11.922 1.00 70.41 H new ATOM 0 HH22 ARG A 14 9.202 15.642 -10.342 1.00 70.41 H new ATOM 224 N LEU A 15 2.178 15.001 -16.674 1.00 13.23 N ATOM 225 CA LEU A 15 1.264 14.758 -17.785 1.00 2.41 C ATOM 226 C LEU A 15 -0.089 15.414 -17.530 1.00 75.42 C ATOM 227 O LEU A 15 -0.639 16.086 -18.403 1.00 20.20 O ATOM 228 CB LEU A 15 1.083 13.255 -18.003 1.00 1.12 C ATOM 229 CG LEU A 15 2.326 12.391 -17.787 1.00 41.13 C ATOM 230 CD1 LEU A 15 1.996 10.921 -17.992 1.00 21.30 C ATOM 231 CD2 LEU A 15 3.445 12.824 -18.723 1.00 62.22 C ATOM 0 H LEU A 15 1.954 14.485 -15.823 1.00 13.23 H new ATOM 0 HA LEU A 15 1.697 15.199 -18.683 1.00 2.41 H new ATOM 0 HB2 LEU A 15 0.299 12.903 -17.332 1.00 1.12 H new ATOM 0 HB3 LEU A 15 0.727 13.096 -19.021 1.00 1.12 H new ATOM 0 HG LEU A 15 2.665 12.526 -16.760 1.00 41.13 H new ATOM 0 HD11 LEU A 15 2.892 10.321 -17.834 1.00 21.30 H new ATOM 0 HD12 LEU A 15 1.227 10.618 -17.281 1.00 21.30 H new ATOM 0 HD13 LEU A 15 1.631 10.768 -19.008 1.00 21.30 H new ATOM 0 HD21 LEU A 15 4.322 12.198 -18.556 1.00 62.22 H new ATOM 0 HD22 LEU A 15 3.116 12.718 -19.757 1.00 62.22 H new ATOM 0 HD23 LEU A 15 3.700 13.866 -18.528 1.00 62.22 H new ATOM 243 N ASP A 16 -0.620 15.215 -16.329 1.00 33.32 N ATOM 244 CA ASP A 16 -1.908 15.789 -15.957 1.00 74.15 C ATOM 245 C ASP A 16 -2.968 15.473 -17.009 1.00 5.20 C ATOM 246 O ASP A 16 -3.940 16.211 -17.165 1.00 73.52 O ATOM 247 CB ASP A 16 -1.784 17.303 -15.780 1.00 23.13 C ATOM 248 CG ASP A 16 -0.673 17.684 -14.820 1.00 74.32 C ATOM 249 OD1 ASP A 16 -0.139 16.781 -14.142 1.00 33.01 O ATOM 250 OD2 ASP A 16 -0.338 18.884 -14.748 1.00 50.21 O ATOM 0 H ASP A 16 -0.178 14.660 -15.596 1.00 33.32 H new ATOM 0 HA ASP A 16 -2.216 15.344 -15.011 1.00 74.15 H new ATOM 0 HB2 ASP A 16 -1.597 17.765 -16.749 1.00 23.13 H new ATOM 0 HB3 ASP A 16 -2.730 17.702 -15.413 1.00 23.13 H new ATOM 255 N ALA A 17 -2.770 14.373 -17.728 1.00 55.13 N ATOM 256 CA ALA A 17 -3.709 13.960 -18.764 1.00 62.52 C ATOM 257 C ALA A 17 -4.648 12.873 -18.252 1.00 61.31 C ATOM 258 O ALA A 17 -5.859 13.075 -18.170 1.00 22.01 O ATOM 259 CB ALA A 17 -2.956 13.473 -19.994 1.00 55.20 C ATOM 0 H ALA A 17 -1.969 13.752 -17.612 1.00 55.13 H new ATOM 0 HA ALA A 17 -4.313 14.825 -19.039 1.00 62.52 H new ATOM 0 HB1 ALA A 17 -3.669 13.168 -20.760 1.00 55.20 H new ATOM 0 HB2 ALA A 17 -2.331 14.278 -20.380 1.00 55.20 H new ATOM 0 HB3 ALA A 17 -2.328 12.624 -19.724 1.00 55.20 H new ATOM 265 N GLU A 18 -4.081 11.720 -17.910 1.00 21.01 N ATOM 266 CA GLU A 18 -4.869 10.601 -17.407 1.00 55.13 C ATOM 267 C GLU A 18 -5.053 10.700 -15.896 1.00 0.43 C ATOM 268 O GLU A 18 -6.178 10.753 -15.398 1.00 2.13 O ATOM 269 CB GLU A 18 -4.198 9.274 -17.764 1.00 64.45 C ATOM 270 CG GLU A 18 -5.128 8.076 -17.670 1.00 63.11 C ATOM 271 CD GLU A 18 -4.597 6.996 -16.748 1.00 25.13 C ATOM 272 OE1 GLU A 18 -5.419 6.284 -16.134 1.00 23.31 O ATOM 273 OE2 GLU A 18 -3.360 6.863 -16.639 1.00 43.12 O ATOM 0 H GLU A 18 -3.080 11.537 -17.972 1.00 21.01 H new ATOM 0 HA GLU A 18 -5.851 10.642 -17.878 1.00 55.13 H new ATOM 0 HB2 GLU A 18 -3.803 9.338 -18.778 1.00 64.45 H new ATOM 0 HB3 GLU A 18 -3.348 9.116 -17.100 1.00 64.45 H new ATOM 0 HG2 GLU A 18 -6.104 8.406 -17.313 1.00 63.11 H new ATOM 0 HG3 GLU A 18 -5.277 7.658 -18.665 1.00 63.11 H new ATOM 280 N PHE A 19 -3.939 10.725 -15.171 1.00 35.32 N ATOM 281 CA PHE A 19 -3.976 10.816 -13.716 1.00 32.11 C ATOM 282 C PHE A 19 -4.885 11.956 -13.265 1.00 62.12 C ATOM 283 O PHE A 19 -5.745 11.775 -12.404 1.00 73.34 O ATOM 284 CB PHE A 19 -2.565 11.023 -13.161 1.00 15.11 C ATOM 285 CG PHE A 19 -2.042 9.841 -12.396 1.00 74.34 C ATOM 286 CD1 PHE A 19 -1.423 10.012 -11.169 1.00 31.42 C ATOM 287 CD2 PHE A 19 -2.170 8.558 -12.906 1.00 4.43 C ATOM 288 CE1 PHE A 19 -0.941 8.926 -10.463 1.00 21.45 C ATOM 289 CE2 PHE A 19 -1.690 7.469 -12.204 1.00 21.22 C ATOM 290 CZ PHE A 19 -1.074 7.653 -10.981 1.00 63.34 C ATOM 0 H PHE A 19 -3.000 10.684 -15.567 1.00 35.32 H new ATOM 0 HA PHE A 19 -4.378 9.880 -13.328 1.00 32.11 H new ATOM 0 HB2 PHE A 19 -1.887 11.240 -13.986 1.00 15.11 H new ATOM 0 HB3 PHE A 19 -2.564 11.897 -12.509 1.00 15.11 H new ATOM 0 HD1 PHE A 19 -1.316 11.005 -10.759 1.00 31.42 H new ATOM 0 HD2 PHE A 19 -2.650 8.408 -13.862 1.00 4.43 H new ATOM 0 HE1 PHE A 19 -0.461 9.073 -9.507 1.00 21.45 H new ATOM 0 HE2 PHE A 19 -1.796 6.474 -12.611 1.00 21.22 H new ATOM 0 HZ PHE A 19 -0.697 6.803 -10.431 1.00 63.34 H new ATOM 300 N ALA A 20 -4.686 13.131 -13.853 1.00 63.03 N ATOM 301 CA ALA A 20 -5.487 14.300 -13.514 1.00 40.42 C ATOM 302 C ALA A 20 -6.958 14.072 -13.843 1.00 53.03 C ATOM 303 O ALA A 20 -7.843 14.659 -13.220 1.00 33.31 O ATOM 304 CB ALA A 20 -4.965 15.528 -14.246 1.00 1.12 C ATOM 0 H ALA A 20 -3.977 13.298 -14.567 1.00 63.03 H new ATOM 0 HA ALA A 20 -5.404 14.468 -12.440 1.00 40.42 H new ATOM 0 HB1 ALA A 20 -5.573 16.394 -13.983 1.00 1.12 H new ATOM 0 HB2 ALA A 20 -3.930 15.711 -13.958 1.00 1.12 H new ATOM 0 HB3 ALA A 20 -5.018 15.360 -15.322 1.00 1.12 H new ATOM 310 N LYS A 21 -7.214 13.216 -14.827 1.00 43.32 N ATOM 311 CA LYS A 21 -8.578 12.909 -15.240 1.00 11.22 C ATOM 312 C LYS A 21 -9.174 11.807 -14.370 1.00 72.34 C ATOM 313 O LYS A 21 -10.394 11.692 -14.244 1.00 64.15 O ATOM 314 CB LYS A 21 -8.605 12.485 -16.710 1.00 22.31 C ATOM 315 CG LYS A 21 -9.089 13.576 -17.649 1.00 62.32 C ATOM 316 CD LYS A 21 -10.519 13.331 -18.099 1.00 35.45 C ATOM 317 CE LYS A 21 -11.050 14.491 -18.927 1.00 31.31 C ATOM 318 NZ LYS A 21 -11.840 15.446 -18.102 1.00 4.25 N ATOM 0 H LYS A 21 -6.493 12.722 -15.354 1.00 43.32 H new ATOM 0 HA LYS A 21 -9.180 13.810 -15.118 1.00 11.22 H new ATOM 0 HB2 LYS A 21 -7.603 12.178 -17.009 1.00 22.31 H new ATOM 0 HB3 LYS A 21 -9.251 11.613 -16.816 1.00 22.31 H new ATOM 0 HG2 LYS A 21 -9.025 14.542 -17.149 1.00 62.32 H new ATOM 0 HG3 LYS A 21 -8.436 13.624 -18.520 1.00 62.32 H new ATOM 0 HD2 LYS A 21 -10.565 12.413 -18.685 1.00 35.45 H new ATOM 0 HD3 LYS A 21 -11.156 13.184 -17.227 1.00 35.45 H new ATOM 0 HE2 LYS A 21 -10.216 15.017 -19.392 1.00 31.31 H new ATOM 0 HE3 LYS A 21 -11.674 14.106 -19.734 1.00 31.31 H new ATOM 0 HZ1 LYS A 21 -12.184 16.222 -18.703 1.00 4.25 H new ATOM 0 HZ2 LYS A 21 -12.650 14.951 -17.678 1.00 4.25 H new ATOM 0 HZ3 LYS A 21 -11.238 15.833 -17.348 1.00 4.25 H new ATOM 332 N LYS A 22 -8.307 10.998 -13.771 1.00 41.10 N ATOM 333 CA LYS A 22 -8.747 9.906 -12.911 1.00 3.03 C ATOM 334 C LYS A 22 -9.251 10.437 -11.573 1.00 32.13 C ATOM 335 O LYS A 22 -10.243 9.946 -11.034 1.00 25.23 O ATOM 336 CB LYS A 22 -7.601 8.918 -12.680 1.00 71.12 C ATOM 337 CG LYS A 22 -8.001 7.466 -12.878 1.00 50.11 C ATOM 338 CD LYS A 22 -8.226 6.763 -11.550 1.00 3.53 C ATOM 339 CE LYS A 22 -9.134 5.554 -11.706 1.00 34.33 C ATOM 340 NZ LYS A 22 -10.068 5.409 -10.554 1.00 63.03 N ATOM 0 H LYS A 22 -7.295 11.078 -13.865 1.00 41.10 H new ATOM 0 HA LYS A 22 -9.568 9.391 -13.411 1.00 3.03 H new ATOM 0 HB2 LYS A 22 -6.784 9.157 -13.360 1.00 71.12 H new ATOM 0 HB3 LYS A 22 -7.220 9.046 -11.667 1.00 71.12 H new ATOM 0 HG2 LYS A 22 -8.911 7.417 -13.475 1.00 50.11 H new ATOM 0 HG3 LYS A 22 -7.224 6.947 -13.438 1.00 50.11 H new ATOM 0 HD2 LYS A 22 -7.268 6.449 -11.137 1.00 3.53 H new ATOM 0 HD3 LYS A 22 -8.667 7.461 -10.838 1.00 3.53 H new ATOM 0 HE2 LYS A 22 -9.707 5.647 -12.629 1.00 34.33 H new ATOM 0 HE3 LYS A 22 -8.527 4.653 -11.797 1.00 34.33 H new ATOM 0 HZ1 LYS A 22 -10.670 4.573 -10.698 1.00 63.03 H new ATOM 0 HZ2 LYS A 22 -9.522 5.295 -9.676 1.00 63.03 H new ATOM 0 HZ3 LYS A 22 -10.665 6.257 -10.482 1.00 63.03 H new ATOM 354 N MET A 23 -8.563 11.443 -11.043 1.00 52.11 N ATOM 355 CA MET A 23 -8.944 12.042 -9.769 1.00 72.21 C ATOM 356 C MET A 23 -10.356 12.615 -9.839 1.00 1.45 C ATOM 357 O MET A 23 -11.125 12.511 -8.884 1.00 31.41 O ATOM 358 CB MET A 23 -7.953 13.141 -9.381 1.00 71.20 C ATOM 359 CG MET A 23 -7.551 13.106 -7.916 1.00 5.24 C ATOM 360 SD MET A 23 -8.966 13.210 -6.804 1.00 11.53 S ATOM 361 CE MET A 23 -9.732 14.727 -7.372 1.00 21.32 C ATOM 0 H MET A 23 -7.739 11.860 -11.476 1.00 52.11 H new ATOM 0 HA MET A 23 -8.925 11.261 -9.008 1.00 72.21 H new ATOM 0 HB2 MET A 23 -7.059 13.047 -9.997 1.00 71.20 H new ATOM 0 HB3 MET A 23 -8.394 14.112 -9.605 1.00 71.20 H new ATOM 0 HG2 MET A 23 -7.003 12.185 -7.716 1.00 5.24 H new ATOM 0 HG3 MET A 23 -6.871 13.932 -7.710 1.00 5.24 H new ATOM 0 HE1 MET A 23 -9.992 15.347 -6.514 1.00 21.32 H new ATOM 0 HE2 MET A 23 -9.036 15.268 -8.013 1.00 21.32 H new ATOM 0 HE3 MET A 23 -10.634 14.490 -7.936 1.00 21.32 H new ATOM 371 N GLU A 24 -10.689 13.222 -10.974 1.00 25.40 N ATOM 372 CA GLU A 24 -12.008 13.812 -11.166 1.00 2.43 C ATOM 373 C GLU A 24 -13.101 12.756 -11.034 1.00 13.24 C ATOM 374 O GLU A 24 -14.261 13.078 -10.777 1.00 41.23 O ATOM 375 CB GLU A 24 -12.096 14.485 -12.537 1.00 63.55 C ATOM 376 CG GLU A 24 -13.060 15.658 -12.580 1.00 33.32 C ATOM 377 CD GLU A 24 -14.511 15.219 -12.613 1.00 34.11 C ATOM 378 OE1 GLU A 24 -14.924 14.611 -13.623 1.00 23.31 O ATOM 379 OE2 GLU A 24 -15.235 15.483 -11.630 1.00 5.51 O ATOM 0 H GLU A 24 -10.063 13.318 -11.774 1.00 25.40 H new ATOM 0 HA GLU A 24 -12.158 14.563 -10.391 1.00 2.43 H new ATOM 0 HB2 GLU A 24 -11.104 14.831 -12.827 1.00 63.55 H new ATOM 0 HB3 GLU A 24 -12.404 13.745 -13.276 1.00 63.55 H new ATOM 0 HG2 GLU A 24 -12.895 16.291 -11.708 1.00 33.32 H new ATOM 0 HG3 GLU A 24 -12.848 16.266 -13.460 1.00 33.32 H new ATOM 386 N GLU A 25 -12.722 11.495 -11.211 1.00 60.44 N ATOM 387 CA GLU A 25 -13.671 10.391 -11.114 1.00 5.44 C ATOM 388 C GLU A 25 -13.894 9.994 -9.657 1.00 73.14 C ATOM 389 O GLU A 25 -14.653 9.070 -9.366 1.00 23.51 O ATOM 390 CB GLU A 25 -13.169 9.186 -11.911 1.00 61.05 C ATOM 391 CG GLU A 25 -12.815 9.514 -13.352 1.00 44.41 C ATOM 392 CD GLU A 25 -12.667 8.275 -14.213 1.00 45.24 C ATOM 393 OE1 GLU A 25 -12.051 8.376 -15.295 1.00 60.25 O ATOM 394 OE2 GLU A 25 -13.166 7.206 -13.806 1.00 61.32 O ATOM 0 H GLU A 25 -11.765 11.212 -11.422 1.00 60.44 H new ATOM 0 HA GLU A 25 -14.621 10.723 -11.533 1.00 5.44 H new ATOM 0 HB2 GLU A 25 -12.291 8.773 -11.415 1.00 61.05 H new ATOM 0 HB3 GLU A 25 -13.935 8.410 -11.901 1.00 61.05 H new ATOM 0 HG2 GLU A 25 -13.588 10.156 -13.775 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -11.884 10.080 -13.374 1.00 44.41 H new ATOM 401 N GLN A 26 -13.228 10.699 -8.749 1.00 32.24 N ATOM 402 CA GLN A 26 -13.353 10.419 -7.323 1.00 73.31 C ATOM 403 C GLN A 26 -14.819 10.371 -6.904 1.00 71.34 C ATOM 404 O GLN A 26 -15.201 9.588 -6.035 1.00 42.51 O ATOM 405 CB GLN A 26 -12.612 11.479 -6.507 1.00 22.44 C ATOM 406 CG GLN A 26 -12.778 11.316 -5.004 1.00 74.14 C ATOM 407 CD GLN A 26 -13.852 12.222 -4.435 1.00 3.43 C ATOM 408 OE1 GLN A 26 -15.000 11.812 -4.262 1.00 42.14 O ATOM 409 NE2 GLN A 26 -13.483 13.463 -4.139 1.00 10.25 N ATOM 0 H GLN A 26 -12.597 11.468 -8.975 1.00 32.24 H new ATOM 0 HA GLN A 26 -12.907 9.444 -7.129 1.00 73.31 H new ATOM 0 HB2 GLN A 26 -11.551 11.439 -6.753 1.00 22.44 H new ATOM 0 HB3 GLN A 26 -12.970 12.466 -6.799 1.00 22.44 H new ATOM 0 HG2 GLN A 26 -13.027 10.279 -4.780 1.00 74.14 H new ATOM 0 HG3 GLN A 26 -11.829 11.530 -4.512 1.00 74.14 H new ATOM 0 HE21 GLN A 26 -12.521 13.761 -4.299 1.00 10.25 H new ATOM 0 HE22 GLN A 26 -14.162 14.118 -3.752 1.00 10.25 H new ATOM 418 N ASN A 27 -15.636 11.213 -7.529 1.00 3.22 N ATOM 419 CA ASN A 27 -17.060 11.267 -7.220 1.00 0.40 C ATOM 420 C ASN A 27 -17.713 9.903 -7.423 1.00 2.42 C ATOM 421 O ASN A 27 -18.724 9.587 -6.796 1.00 11.12 O ATOM 422 CB ASN A 27 -17.754 12.313 -8.096 1.00 24.41 C ATOM 423 CG ASN A 27 -17.707 13.700 -7.486 1.00 51.54 C ATOM 424 OD1 ASN A 27 -17.181 13.892 -6.390 1.00 33.32 O ATOM 425 ND2 ASN A 27 -18.259 14.677 -8.197 1.00 10.32 N ATOM 0 H ASN A 27 -15.336 11.867 -8.252 1.00 3.22 H new ATOM 0 HA ASN A 27 -17.169 11.550 -6.173 1.00 0.40 H new ATOM 0 HB2 ASN A 27 -17.279 12.334 -9.077 1.00 24.41 H new ATOM 0 HB3 ASN A 27 -18.793 12.022 -8.251 1.00 24.41 H new ATOM 0 HD21 ASN A 27 -18.258 15.632 -7.839 1.00 10.32 H new ATOM 0 HD22 ASN A 27 -18.684 14.472 -9.101 1.00 10.32 H new ATOM 432 N LYS A 28 -17.127 9.098 -8.303 1.00 13.41 N ATOM 433 CA LYS A 28 -17.649 7.767 -8.588 1.00 52.34 C ATOM 434 C LYS A 28 -17.156 6.757 -7.558 1.00 31.24 C ATOM 435 O LYS A 28 -17.706 5.662 -7.436 1.00 24.12 O ATOM 436 CB LYS A 28 -17.232 7.324 -9.993 1.00 35.04 C ATOM 437 CG LYS A 28 -17.336 8.425 -11.034 1.00 33.11 C ATOM 438 CD LYS A 28 -17.364 7.858 -12.444 1.00 1.45 C ATOM 439 CE LYS A 28 -16.424 8.617 -13.368 1.00 25.04 C ATOM 440 NZ LYS A 28 -17.077 8.965 -14.660 1.00 22.31 N ATOM 0 H LYS A 28 -16.290 9.345 -8.831 1.00 13.41 H new ATOM 0 HA LYS A 28 -18.737 7.811 -8.535 1.00 52.34 H new ATOM 0 HB2 LYS A 28 -16.204 6.962 -9.961 1.00 35.04 H new ATOM 0 HB3 LYS A 28 -17.856 6.485 -10.300 1.00 35.04 H new ATOM 0 HG2 LYS A 28 -18.239 9.010 -10.858 1.00 33.11 H new ATOM 0 HG3 LYS A 28 -16.491 9.105 -10.931 1.00 33.11 H new ATOM 0 HD2 LYS A 28 -17.081 6.806 -12.420 1.00 1.45 H new ATOM 0 HD3 LYS A 28 -18.380 7.906 -12.837 1.00 1.45 H new ATOM 0 HE2 LYS A 28 -16.087 9.529 -12.874 1.00 25.04 H new ATOM 0 HE3 LYS A 28 -15.538 8.013 -13.560 1.00 25.04 H new ATOM 0 HZ1 LYS A 28 -16.404 9.481 -15.261 1.00 22.31 H new ATOM 0 HZ2 LYS A 28 -17.376 8.094 -15.144 1.00 22.31 H new ATOM 0 HZ3 LYS A 28 -17.908 9.563 -14.479 1.00 22.31 H new ATOM 454 N ARG A 29 -16.118 7.132 -6.817 1.00 52.23 N ATOM 455 CA ARG A 29 -15.552 6.258 -5.797 1.00 1.52 C ATOM 456 C ARG A 29 -16.639 5.741 -4.860 1.00 33.40 C ATOM 457 O ARG A 29 -16.475 4.706 -4.213 1.00 11.10 O ATOM 458 CB ARG A 29 -14.484 7.003 -4.993 1.00 63.24 C ATOM 459 CG ARG A 29 -13.537 6.083 -4.240 1.00 60.21 C ATOM 460 CD ARG A 29 -12.406 5.595 -5.133 1.00 35.14 C ATOM 461 NE ARG A 29 -11.762 4.399 -4.596 1.00 13.33 N ATOM 462 CZ ARG A 29 -12.280 3.180 -4.692 1.00 22.42 C ATOM 463 NH1 ARG A 29 -13.443 2.996 -5.301 1.00 62.53 N ATOM 464 NH2 ARG A 29 -11.633 2.141 -4.178 1.00 35.01 N ATOM 0 H ARG A 29 -15.652 8.035 -6.904 1.00 52.23 H new ATOM 0 HA ARG A 29 -15.093 5.406 -6.298 1.00 1.52 H new ATOM 0 HB2 ARG A 29 -13.905 7.632 -5.669 1.00 63.24 H new ATOM 0 HB3 ARG A 29 -14.974 7.667 -4.281 1.00 63.24 H new ATOM 0 HG2 ARG A 29 -13.122 6.610 -3.381 1.00 60.21 H new ATOM 0 HG3 ARG A 29 -14.091 5.228 -3.852 1.00 60.21 H new ATOM 0 HD2 ARG A 29 -12.796 5.381 -6.128 1.00 35.14 H new ATOM 0 HD3 ARG A 29 -11.665 6.387 -5.245 1.00 35.14 H new ATOM 0 HE ARG A 29 -10.866 4.506 -4.121 1.00 13.33 H new ATOM 0 HH11 ARG A 29 -13.943 3.792 -5.698 1.00 62.53 H new ATOM 0 HH12 ARG A 29 -13.838 2.058 -5.373 1.00 62.53 H new ATOM 0 HH21 ARG A 29 -10.738 2.279 -3.709 1.00 35.01 H new ATOM 0 HH22 ARG A 29 -12.031 1.205 -4.252 1.00 35.01 H new ATOM 478 N PHE A 30 -17.750 6.467 -4.792 1.00 41.22 N ATOM 479 CA PHE A 30 -18.864 6.082 -3.934 1.00 10.45 C ATOM 480 C PHE A 30 -19.666 4.946 -4.560 1.00 72.41 C ATOM 481 O PHE A 30 -19.953 3.941 -3.909 1.00 34.00 O ATOM 482 CB PHE A 30 -19.776 7.284 -3.676 1.00 60.23 C ATOM 483 CG PHE A 30 -19.928 7.620 -2.220 1.00 41.24 C ATOM 484 CD1 PHE A 30 -18.846 8.077 -1.485 1.00 33.54 C ATOM 485 CD2 PHE A 30 -21.152 7.479 -1.587 1.00 55.45 C ATOM 486 CE1 PHE A 30 -18.983 8.387 -0.145 1.00 2.43 C ATOM 487 CE2 PHE A 30 -21.295 7.789 -0.248 1.00 51.11 C ATOM 488 CZ PHE A 30 -20.209 8.242 0.474 1.00 3.45 C ATOM 0 H PHE A 30 -17.903 7.326 -5.321 1.00 41.22 H new ATOM 0 HA PHE A 30 -18.455 5.734 -2.985 1.00 10.45 H new ATOM 0 HB2 PHE A 30 -19.377 8.152 -4.201 1.00 60.23 H new ATOM 0 HB3 PHE A 30 -20.760 7.080 -4.098 1.00 60.23 H new ATOM 0 HD1 PHE A 30 -17.885 8.192 -1.964 1.00 33.54 H new ATOM 0 HD2 PHE A 30 -22.004 7.123 -2.146 1.00 55.45 H new ATOM 0 HE1 PHE A 30 -18.132 8.742 0.417 1.00 2.43 H new ATOM 0 HE2 PHE A 30 -22.255 7.677 0.233 1.00 51.11 H new ATOM 0 HZ PHE A 30 -20.318 8.483 1.521 1.00 3.45 H new ATOM 498 N PHE A 31 -20.025 5.112 -5.829 1.00 15.24 N ATOM 499 CA PHE A 31 -20.796 4.102 -6.544 1.00 60.20 C ATOM 500 C PHE A 31 -19.925 2.897 -6.889 1.00 51.33 C ATOM 501 O PHE A 31 -20.424 1.786 -7.062 1.00 35.13 O ATOM 502 CB PHE A 31 -21.394 4.696 -7.821 1.00 33.51 C ATOM 503 CG PHE A 31 -22.439 3.823 -8.455 1.00 73.14 C ATOM 504 CD1 PHE A 31 -23.612 3.523 -7.782 1.00 34.20 C ATOM 505 CD2 PHE A 31 -22.248 3.302 -9.725 1.00 51.11 C ATOM 506 CE1 PHE A 31 -24.576 2.720 -8.363 1.00 52.41 C ATOM 507 CE2 PHE A 31 -23.208 2.499 -10.311 1.00 54.54 C ATOM 508 CZ PHE A 31 -24.373 2.207 -9.629 1.00 53.21 C ATOM 0 H PHE A 31 -19.794 5.937 -6.383 1.00 15.24 H new ATOM 0 HA PHE A 31 -21.605 3.769 -5.893 1.00 60.20 H new ATOM 0 HB2 PHE A 31 -21.834 5.666 -7.590 1.00 33.51 H new ATOM 0 HB3 PHE A 31 -20.594 4.872 -8.540 1.00 33.51 H new ATOM 0 HD1 PHE A 31 -23.776 3.921 -6.791 1.00 34.20 H new ATOM 0 HD2 PHE A 31 -21.339 3.526 -10.263 1.00 51.11 H new ATOM 0 HE1 PHE A 31 -25.486 2.494 -7.828 1.00 52.41 H new ATOM 0 HE2 PHE A 31 -23.047 2.100 -11.302 1.00 54.54 H new ATOM 0 HZ PHE A 31 -25.124 1.579 -10.085 1.00 53.21 H new ATOM 518 N ALA A 32 -18.620 3.128 -6.989 1.00 60.51 N ATOM 519 CA ALA A 32 -17.679 2.062 -7.312 1.00 41.42 C ATOM 520 C ALA A 32 -16.858 1.666 -6.090 1.00 31.51 C ATOM 521 O ALA A 32 -15.886 0.918 -6.199 1.00 71.12 O ATOM 522 CB ALA A 32 -16.763 2.494 -8.448 1.00 70.10 C ATOM 0 H ALA A 32 -18.191 4.043 -6.851 1.00 60.51 H new ATOM 0 HA ALA A 32 -18.250 1.190 -7.631 1.00 41.42 H new ATOM 0 HB1 ALA A 32 -16.065 1.689 -8.679 1.00 70.10 H new ATOM 0 HB2 ALA A 32 -17.361 2.721 -9.331 1.00 70.10 H new ATOM 0 HB3 ALA A 32 -16.206 3.382 -8.149 1.00 70.10 H new ATOM 528 N ASP A 33 -17.255 2.171 -4.927 1.00 42.13 N ATOM 529 CA ASP A 33 -16.556 1.869 -3.684 1.00 24.13 C ATOM 530 C ASP A 33 -16.477 0.362 -3.457 1.00 11.42 C ATOM 531 O ASP A 33 -15.626 -0.120 -2.709 1.00 72.52 O ATOM 532 CB ASP A 33 -17.259 2.539 -2.502 1.00 41.14 C ATOM 533 CG ASP A 33 -16.281 3.124 -1.503 1.00 0.24 C ATOM 534 OD1 ASP A 33 -15.215 2.510 -1.286 1.00 11.25 O ATOM 535 OD2 ASP A 33 -16.581 4.197 -0.938 1.00 30.42 O ATOM 0 H ASP A 33 -18.057 2.791 -4.819 1.00 42.13 H new ATOM 0 HA ASP A 33 -15.542 2.260 -3.763 1.00 24.13 H new ATOM 0 HB2 ASP A 33 -17.912 3.329 -2.872 1.00 41.14 H new ATOM 0 HB3 ASP A 33 -17.894 1.809 -2.000 1.00 41.14 H new ATOM 540 N LYS A 34 -17.371 -0.376 -4.106 1.00 42.00 N ATOM 541 CA LYS A 34 -17.404 -1.828 -3.976 1.00 42.13 C ATOM 542 C LYS A 34 -16.016 -2.425 -4.187 1.00 1.45 C ATOM 543 O LYS A 34 -15.116 -1.787 -4.733 1.00 41.24 O ATOM 544 CB LYS A 34 -18.387 -2.428 -4.984 1.00 23.31 C ATOM 545 CG LYS A 34 -19.737 -2.779 -4.382 1.00 44.42 C ATOM 546 CD LYS A 34 -20.869 -2.057 -5.094 1.00 4.33 C ATOM 547 CE LYS A 34 -22.207 -2.734 -4.842 1.00 60.11 C ATOM 548 NZ LYS A 34 -22.941 -3.000 -6.110 1.00 60.22 N ATOM 0 H LYS A 34 -18.083 0.008 -4.728 1.00 42.00 H new ATOM 0 HA LYS A 34 -17.735 -2.070 -2.966 1.00 42.13 H new ATOM 0 HB2 LYS A 34 -18.535 -1.720 -5.800 1.00 23.31 H new ATOM 0 HB3 LYS A 34 -17.947 -3.326 -5.417 1.00 23.31 H new ATOM 0 HG2 LYS A 34 -19.895 -3.856 -4.444 1.00 44.42 H new ATOM 0 HG3 LYS A 34 -19.744 -2.516 -3.324 1.00 44.42 H new ATOM 0 HD2 LYS A 34 -20.913 -1.023 -4.753 1.00 4.33 H new ATOM 0 HD3 LYS A 34 -20.669 -2.031 -6.165 1.00 4.33 H new ATOM 0 HE2 LYS A 34 -22.045 -3.673 -4.312 1.00 60.11 H new ATOM 0 HE3 LYS A 34 -22.817 -2.104 -4.195 1.00 60.11 H new ATOM 0 HZ1 LYS A 34 -23.848 -3.462 -5.896 1.00 60.22 H new ATOM 0 HZ2 LYS A 34 -23.118 -2.102 -6.604 1.00 60.22 H new ATOM 0 HZ3 LYS A 34 -22.370 -3.622 -6.717 1.00 60.22 H new ATOM 562 N PRO A 35 -15.836 -3.678 -3.744 1.00 75.11 N ATOM 563 CA PRO A 35 -14.561 -4.389 -3.875 1.00 10.22 C ATOM 564 C PRO A 35 -14.244 -4.750 -5.322 1.00 53.21 C ATOM 565 O PRO A 35 -15.124 -5.169 -6.074 1.00 54.21 O ATOM 566 CB PRO A 35 -14.774 -5.655 -3.042 1.00 23.30 C ATOM 567 CG PRO A 35 -16.248 -5.869 -3.047 1.00 71.13 C ATOM 568 CD PRO A 35 -16.865 -4.498 -3.083 1.00 31.34 C ATOM 0 HA PRO A 35 -13.719 -3.781 -3.544 1.00 10.22 H new ATOM 0 HB2 PRO A 35 -14.249 -6.507 -3.475 1.00 23.30 H new ATOM 0 HB3 PRO A 35 -14.396 -5.530 -2.027 1.00 23.30 H new ATOM 0 HG2 PRO A 35 -16.554 -6.458 -3.912 1.00 71.13 H new ATOM 0 HG3 PRO A 35 -16.566 -6.417 -2.160 1.00 71.13 H new ATOM 0 HD2 PRO A 35 -17.802 -4.493 -3.640 1.00 31.34 H new ATOM 0 HD3 PRO A 35 -17.088 -4.131 -2.081 1.00 31.34 H new ATOM 576 N ASP A 36 -12.983 -4.585 -5.705 1.00 72.25 N ATOM 577 CA ASP A 36 -12.550 -4.896 -7.063 1.00 0.50 C ATOM 578 C ASP A 36 -11.467 -5.970 -7.056 1.00 35.44 C ATOM 579 O ASP A 36 -10.605 -6.001 -7.932 1.00 62.14 O ATOM 580 CB ASP A 36 -12.030 -3.635 -7.756 1.00 21.11 C ATOM 581 CG ASP A 36 -12.931 -2.437 -7.531 1.00 74.12 C ATOM 582 OD1 ASP A 36 -13.645 -2.045 -8.478 1.00 71.24 O ATOM 583 OD2 ASP A 36 -12.924 -1.892 -6.408 1.00 10.01 O ATOM 0 H ASP A 36 -12.243 -4.238 -5.095 1.00 72.25 H new ATOM 0 HA ASP A 36 -13.410 -5.277 -7.614 1.00 0.50 H new ATOM 0 HB2 ASP A 36 -11.030 -3.408 -7.387 1.00 21.11 H new ATOM 0 HB3 ASP A 36 -11.941 -3.823 -8.826 1.00 21.11 H new ATOM 588 N GLU A 37 -11.520 -6.849 -6.059 1.00 63.14 N ATOM 589 CA GLU A 37 -10.542 -7.924 -5.938 1.00 1.13 C ATOM 590 C GLU A 37 -9.211 -7.392 -5.414 1.00 31.03 C ATOM 591 O GLU A 37 -8.718 -7.836 -4.377 1.00 62.25 O ATOM 592 CB GLU A 37 -10.333 -8.609 -7.290 1.00 11.11 C ATOM 593 CG GLU A 37 -10.154 -10.114 -7.188 1.00 73.44 C ATOM 594 CD GLU A 37 -11.186 -10.880 -7.994 1.00 32.04 C ATOM 595 OE1 GLU A 37 -11.113 -10.842 -9.240 1.00 1.12 O ATOM 596 OE2 GLU A 37 -12.067 -11.517 -7.378 1.00 44.32 O ATOM 0 H GLU A 37 -12.228 -6.838 -5.325 1.00 63.14 H new ATOM 0 HA GLU A 37 -10.928 -8.653 -5.226 1.00 1.13 H new ATOM 0 HB2 GLU A 37 -11.188 -8.396 -7.932 1.00 11.11 H new ATOM 0 HB3 GLU A 37 -9.456 -8.179 -7.774 1.00 11.11 H new ATOM 0 HG2 GLU A 37 -9.156 -10.382 -7.535 1.00 73.44 H new ATOM 0 HG3 GLU A 37 -10.219 -10.414 -6.142 1.00 73.44 H new ATOM 603 N ALA A 38 -8.635 -6.438 -6.138 1.00 72.33 N ATOM 604 CA ALA A 38 -7.363 -5.845 -5.747 1.00 1.52 C ATOM 605 C ALA A 38 -7.388 -5.407 -4.286 1.00 65.41 C ATOM 606 O ALA A 38 -6.430 -5.629 -3.544 1.00 42.11 O ATOM 607 CB ALA A 38 -7.032 -4.664 -6.648 1.00 12.34 C ATOM 0 H ALA A 38 -9.030 -6.059 -6.999 1.00 72.33 H new ATOM 0 HA ALA A 38 -6.587 -6.602 -5.859 1.00 1.52 H new ATOM 0 HB1 ALA A 38 -6.079 -4.231 -6.344 1.00 12.34 H new ATOM 0 HB2 ALA A 38 -6.964 -5.003 -7.682 1.00 12.34 H new ATOM 0 HB3 ALA A 38 -7.816 -3.911 -6.564 1.00 12.34 H new ATOM 613 N THR A 39 -8.489 -4.784 -3.878 1.00 63.10 N ATOM 614 CA THR A 39 -8.637 -4.314 -2.507 1.00 31.05 C ATOM 615 C THR A 39 -7.407 -3.534 -2.057 1.00 13.25 C ATOM 616 O THR A 39 -7.024 -3.580 -0.887 1.00 2.21 O ATOM 617 CB THR A 39 -8.872 -5.485 -1.534 1.00 15.13 C ATOM 618 OG1 THR A 39 -7.654 -6.211 -1.337 1.00 71.12 O ATOM 619 CG2 THR A 39 -9.947 -6.422 -2.064 1.00 52.34 C ATOM 0 H THR A 39 -9.291 -4.593 -4.478 1.00 63.10 H new ATOM 0 HA THR A 39 -9.507 -3.657 -2.491 1.00 31.05 H new ATOM 0 HB THR A 39 -9.208 -5.075 -0.582 1.00 15.13 H new ATOM 0 HG1 THR A 39 -7.020 -5.986 -2.049 1.00 71.12 H new ATOM 0 HG21 THR A 39 -10.095 -7.241 -1.360 1.00 52.34 H new ATOM 0 HG22 THR A 39 -10.881 -5.873 -2.184 1.00 52.34 H new ATOM 0 HG23 THR A 39 -9.636 -6.824 -3.028 1.00 52.34 H new ATOM 627 N LEU A 40 -6.793 -2.817 -2.991 1.00 64.21 N ATOM 628 CA LEU A 40 -5.605 -2.025 -2.690 1.00 71.12 C ATOM 629 C LEU A 40 -5.838 -1.135 -1.473 1.00 61.52 C ATOM 630 O LEU A 40 -6.967 -0.990 -1.005 1.00 51.55 O ATOM 631 CB LEU A 40 -5.221 -1.167 -3.897 1.00 63.41 C ATOM 632 CG LEU A 40 -6.335 -0.303 -4.489 1.00 31.53 C ATOM 633 CD1 LEU A 40 -5.795 1.058 -4.898 1.00 63.22 C ATOM 634 CD2 LEU A 40 -6.979 -1.003 -5.677 1.00 23.32 C ATOM 0 H LEU A 40 -7.098 -2.767 -3.963 1.00 64.21 H new ATOM 0 HA LEU A 40 -4.788 -2.711 -2.465 1.00 71.12 H new ATOM 0 HB2 LEU A 40 -4.398 -0.514 -3.606 1.00 63.41 H new ATOM 0 HB3 LEU A 40 -4.844 -1.825 -4.680 1.00 63.41 H new ATOM 0 HG LEU A 40 -7.097 -0.153 -3.724 1.00 31.53 H new ATOM 0 HD11 LEU A 40 -6.602 1.659 -5.317 1.00 63.22 H new ATOM 0 HD12 LEU A 40 -5.382 1.563 -4.025 1.00 63.22 H new ATOM 0 HD13 LEU A 40 -5.013 0.929 -5.646 1.00 63.22 H new ATOM 0 HD21 LEU A 40 -7.770 -0.373 -6.085 1.00 23.32 H new ATOM 0 HD22 LEU A 40 -6.226 -1.184 -6.444 1.00 23.32 H new ATOM 0 HD23 LEU A 40 -7.403 -1.954 -5.353 1.00 23.32 H new ATOM 646 N SER A 41 -4.762 -0.541 -0.966 1.00 73.44 N ATOM 647 CA SER A 41 -4.849 0.333 0.197 1.00 10.22 C ATOM 648 C SER A 41 -5.016 1.789 -0.228 1.00 74.34 C ATOM 649 O SER A 41 -4.830 2.148 -1.391 1.00 60.43 O ATOM 650 CB SER A 41 -3.599 0.185 1.067 1.00 34.13 C ATOM 651 OG SER A 41 -2.796 -0.896 0.626 1.00 32.02 O ATOM 0 H SER A 41 -3.820 -0.649 -1.343 1.00 73.44 H new ATOM 0 HA SER A 41 -5.724 0.039 0.776 1.00 10.22 H new ATOM 0 HB2 SER A 41 -3.020 1.108 1.037 1.00 34.13 H new ATOM 0 HB3 SER A 41 -3.891 0.025 2.105 1.00 34.13 H new ATOM 0 HG SER A 41 -2.003 -0.968 1.197 1.00 32.02 H new ATOM 657 N PRO A 42 -5.377 2.648 0.736 1.00 51.41 N ATOM 658 CA PRO A 42 -5.578 4.079 0.487 1.00 44.05 C ATOM 659 C PRO A 42 -4.269 4.805 0.193 1.00 53.13 C ATOM 660 O PRO A 42 -4.231 6.034 0.133 1.00 72.53 O ATOM 661 CB PRO A 42 -6.188 4.585 1.796 1.00 42.21 C ATOM 662 CG PRO A 42 -5.714 3.624 2.831 1.00 0.30 C ATOM 663 CD PRO A 42 -5.617 2.290 2.144 1.00 45.30 C ATOM 0 HA PRO A 42 -6.204 4.257 -0.387 1.00 44.05 H new ATOM 0 HB2 PRO A 42 -5.860 5.600 2.019 1.00 42.21 H new ATOM 0 HB3 PRO A 42 -7.277 4.605 1.744 1.00 42.21 H new ATOM 0 HG2 PRO A 42 -4.747 3.928 3.232 1.00 0.30 H new ATOM 0 HG3 PRO A 42 -6.408 3.581 3.671 1.00 0.30 H new ATOM 0 HD2 PRO A 42 -4.804 1.687 2.550 1.00 45.30 H new ATOM 0 HD3 PRO A 42 -6.533 1.710 2.261 1.00 45.30 H new ATOM 671 N GLU A 43 -3.200 4.037 0.010 1.00 4.21 N ATOM 672 CA GLU A 43 -1.889 4.609 -0.277 1.00 54.31 C ATOM 673 C GLU A 43 -1.965 5.577 -1.455 1.00 3.25 C ATOM 674 O GLU A 43 -1.161 6.503 -1.562 1.00 54.25 O ATOM 675 CB GLU A 43 -0.879 3.500 -0.578 1.00 41.51 C ATOM 676 CG GLU A 43 -0.740 3.189 -2.059 1.00 31.02 C ATOM 677 CD GLU A 43 0.254 4.097 -2.755 1.00 45.33 C ATOM 678 OE1 GLU A 43 -0.173 4.893 -3.618 1.00 62.32 O ATOM 679 OE2 GLU A 43 1.459 4.013 -2.438 1.00 62.21 O ATOM 0 H GLU A 43 -3.215 3.018 0.055 1.00 4.21 H new ATOM 0 HA GLU A 43 -1.560 5.160 0.604 1.00 54.31 H new ATOM 0 HB2 GLU A 43 0.095 3.790 -0.183 1.00 41.51 H new ATOM 0 HB3 GLU A 43 -1.179 2.594 -0.052 1.00 41.51 H new ATOM 0 HG2 GLU A 43 -0.426 2.152 -2.181 1.00 31.02 H new ATOM 0 HG3 GLU A 43 -1.713 3.286 -2.540 1.00 31.02 H new ATOM 686 N MET A 44 -2.935 5.355 -2.335 1.00 33.34 N ATOM 687 CA MET A 44 -3.116 6.207 -3.504 1.00 12.21 C ATOM 688 C MET A 44 -3.921 7.454 -3.149 1.00 25.32 C ATOM 689 O MET A 44 -3.726 8.519 -3.735 1.00 70.31 O ATOM 690 CB MET A 44 -3.819 5.434 -4.622 1.00 22.14 C ATOM 691 CG MET A 44 -5.245 5.034 -4.280 1.00 60.11 C ATOM 692 SD MET A 44 -6.472 6.092 -5.072 1.00 64.33 S ATOM 693 CE MET A 44 -7.560 4.866 -5.795 1.00 24.01 C ATOM 0 H MET A 44 -3.608 4.592 -2.261 1.00 33.34 H new ATOM 0 HA MET A 44 -2.131 6.518 -3.851 1.00 12.21 H new ATOM 0 HB2 MET A 44 -3.828 6.045 -5.525 1.00 22.14 H new ATOM 0 HB3 MET A 44 -3.243 4.537 -4.850 1.00 22.14 H new ATOM 0 HG2 MET A 44 -5.411 4.001 -4.584 1.00 60.11 H new ATOM 0 HG3 MET A 44 -5.380 5.074 -3.199 1.00 60.11 H new ATOM 0 HE1 MET A 44 -8.373 5.366 -6.322 1.00 24.01 H new ATOM 0 HE2 MET A 44 -6.998 4.250 -6.497 1.00 24.01 H new ATOM 0 HE3 MET A 44 -7.972 4.235 -5.007 1.00 24.01 H new ATOM 703 N LYS A 45 -4.825 7.314 -2.185 1.00 40.25 N ATOM 704 CA LYS A 45 -5.659 8.429 -1.751 1.00 23.41 C ATOM 705 C LYS A 45 -4.826 9.481 -1.026 1.00 22.34 C ATOM 706 O LYS A 45 -5.212 10.647 -0.951 1.00 23.32 O ATOM 707 CB LYS A 45 -6.778 7.928 -0.835 1.00 2.23 C ATOM 708 CG LYS A 45 -7.573 6.774 -1.420 1.00 51.44 C ATOM 709 CD LYS A 45 -9.062 6.934 -1.160 1.00 44.44 C ATOM 710 CE LYS A 45 -9.664 8.029 -2.028 1.00 35.13 C ATOM 711 NZ LYS A 45 -9.813 7.595 -3.445 1.00 11.15 N ATOM 0 H LYS A 45 -4.999 6.440 -1.689 1.00 40.25 H new ATOM 0 HA LYS A 45 -6.100 8.887 -2.636 1.00 23.41 H new ATOM 0 HB2 LYS A 45 -6.345 7.615 0.115 1.00 2.23 H new ATOM 0 HB3 LYS A 45 -7.457 8.753 -0.620 1.00 2.23 H new ATOM 0 HG2 LYS A 45 -7.394 6.715 -2.494 1.00 51.44 H new ATOM 0 HG3 LYS A 45 -7.226 5.836 -0.987 1.00 51.44 H new ATOM 0 HD2 LYS A 45 -9.571 5.990 -1.358 1.00 44.44 H new ATOM 0 HD3 LYS A 45 -9.226 7.170 -0.109 1.00 44.44 H new ATOM 0 HE2 LYS A 45 -10.639 8.313 -1.631 1.00 35.13 H new ATOM 0 HE3 LYS A 45 -9.032 8.916 -1.984 1.00 35.13 H new ATOM 0 HZ1 LYS A 45 -10.362 8.305 -3.970 1.00 11.15 H new ATOM 0 HZ2 LYS A 45 -8.873 7.495 -3.878 1.00 11.15 H new ATOM 0 HZ3 LYS A 45 -10.308 6.681 -3.478 1.00 11.15 H new ATOM 725 N GLU A 46 -3.682 9.061 -0.495 1.00 22.44 N ATOM 726 CA GLU A 46 -2.795 9.968 0.224 1.00 51.32 C ATOM 727 C GLU A 46 -1.881 10.715 -0.744 1.00 14.45 C ATOM 728 O GLU A 46 -1.534 11.875 -0.517 1.00 21.12 O ATOM 729 CB GLU A 46 -1.955 9.196 1.243 1.00 64.33 C ATOM 730 CG GLU A 46 -1.855 9.881 2.595 1.00 55.50 C ATOM 731 CD GLU A 46 -0.925 9.158 3.549 1.00 43.31 C ATOM 732 OE1 GLU A 46 0.121 8.653 3.088 1.00 13.52 O ATOM 733 OE2 GLU A 46 -1.241 9.097 4.755 1.00 32.12 O ATOM 0 H GLU A 46 -3.348 8.099 -0.549 1.00 22.44 H new ATOM 0 HA GLU A 46 -3.412 10.696 0.751 1.00 51.32 H new ATOM 0 HB2 GLU A 46 -2.386 8.204 1.379 1.00 64.33 H new ATOM 0 HB3 GLU A 46 -0.951 9.055 0.842 1.00 64.33 H new ATOM 0 HG2 GLU A 46 -1.503 10.903 2.455 1.00 55.50 H new ATOM 0 HG3 GLU A 46 -2.848 9.944 3.040 1.00 55.50 H new ATOM 740 N HIS A 47 -1.495 10.042 -1.823 1.00 13.51 N ATOM 741 CA HIS A 47 -0.622 10.642 -2.826 1.00 21.23 C ATOM 742 C HIS A 47 -1.427 11.473 -3.820 1.00 62.45 C ATOM 743 O HIS A 47 -1.077 12.615 -4.116 1.00 41.43 O ATOM 744 CB HIS A 47 0.161 9.556 -3.565 1.00 54.33 C ATOM 745 CG HIS A 47 1.427 10.053 -4.193 1.00 35.11 C ATOM 746 ND1 HIS A 47 1.665 11.137 -4.967 1.00 30.12 N flip ATOM 747 CD2 HIS A 47 2.638 9.409 -4.055 1.00 53.23 C flip ATOM 748 CE1 HIS A 47 3.002 11.129 -5.279 1.00 71.45 C flip ATOM 749 NE2 HIS A 47 3.567 10.077 -4.715 1.00 1.44 N flip ATOM 0 H HIS A 47 -1.773 9.082 -2.025 1.00 13.51 H new ATOM 0 HA HIS A 47 0.080 11.301 -2.315 1.00 21.23 H new ATOM 0 HB2 HIS A 47 0.402 8.754 -2.867 1.00 54.33 H new ATOM 0 HB3 HIS A 47 -0.474 9.125 -4.339 1.00 54.33 H new ATOM 0 HD1 HIS A 47 0.979 11.831 -5.264 1.00 30.12 H new ATOM 0 HD2 HIS A 47 2.802 8.500 -3.495 1.00 53.23 H new ATOM 0 HE1 HIS A 47 3.509 11.864 -5.887 1.00 71.45 H new ATOM 757 N TYR A 48 -2.505 10.891 -4.334 1.00 31.25 N ATOM 758 CA TYR A 48 -3.358 11.576 -5.298 1.00 3.25 C ATOM 759 C TYR A 48 -3.800 12.935 -4.764 1.00 14.22 C ATOM 760 O TYR A 48 -4.135 13.836 -5.532 1.00 45.41 O ATOM 761 CB TYR A 48 -4.583 10.721 -5.625 1.00 63.22 C ATOM 762 CG TYR A 48 -4.335 9.701 -6.713 1.00 74.34 C ATOM 763 CD1 TYR A 48 -3.056 9.222 -6.966 1.00 44.10 C ATOM 764 CD2 TYR A 48 -5.381 9.216 -7.490 1.00 1.14 C ATOM 765 CE1 TYR A 48 -2.825 8.290 -7.960 1.00 5.53 C ATOM 766 CE2 TYR A 48 -5.159 8.284 -8.484 1.00 74.53 C ATOM 767 CZ TYR A 48 -3.880 7.824 -8.716 1.00 23.14 C ATOM 768 OH TYR A 48 -3.655 6.896 -9.707 1.00 23.05 O ATOM 0 H TYR A 48 -2.809 9.946 -4.099 1.00 31.25 H new ATOM 0 HA TYR A 48 -2.780 11.734 -6.209 1.00 3.25 H new ATOM 0 HB2 TYR A 48 -4.907 10.205 -4.721 1.00 63.22 H new ATOM 0 HB3 TYR A 48 -5.401 11.374 -5.930 1.00 63.22 H new ATOM 0 HD1 TYR A 48 -2.227 9.584 -6.376 1.00 44.10 H new ATOM 0 HD2 TYR A 48 -6.384 9.574 -7.313 1.00 1.14 H new ATOM 0 HE1 TYR A 48 -1.824 7.929 -8.144 1.00 5.53 H new ATOM 0 HE2 TYR A 48 -5.983 7.917 -9.077 1.00 74.53 H new ATOM 0 HH TYR A 48 -3.044 7.272 -10.375 1.00 23.05 H new ATOM 778 N GLU A 49 -3.799 13.073 -3.442 1.00 0.53 N ATOM 779 CA GLU A 49 -4.201 14.322 -2.804 1.00 45.15 C ATOM 780 C GLU A 49 -3.309 15.475 -3.256 1.00 63.15 C ATOM 781 O GLU A 49 -3.679 16.644 -3.141 1.00 63.43 O ATOM 782 CB GLU A 49 -4.143 14.185 -1.282 1.00 23.04 C ATOM 783 CG GLU A 49 -5.508 14.221 -0.615 1.00 4.30 C ATOM 784 CD GLU A 49 -5.538 15.124 0.603 1.00 52.31 C ATOM 785 OE1 GLU A 49 -6.303 16.111 0.590 1.00 53.33 O ATOM 786 OE2 GLU A 49 -4.798 14.844 1.568 1.00 5.54 O ATOM 0 H GLU A 49 -3.525 12.336 -2.792 1.00 0.53 H new ATOM 0 HA GLU A 49 -5.226 14.539 -3.103 1.00 45.15 H new ATOM 0 HB2 GLU A 49 -3.649 13.247 -1.029 1.00 23.04 H new ATOM 0 HB3 GLU A 49 -3.528 14.989 -0.876 1.00 23.04 H new ATOM 0 HG2 GLU A 49 -6.251 14.563 -1.335 1.00 4.30 H new ATOM 0 HG3 GLU A 49 -5.791 13.210 -0.321 1.00 4.30 H new ATOM 793 N LYS A 50 -2.131 15.137 -3.771 1.00 51.51 N ATOM 794 CA LYS A 50 -1.185 16.142 -4.242 1.00 11.23 C ATOM 795 C LYS A 50 -1.466 16.516 -5.693 1.00 52.45 C ATOM 796 O LYS A 50 -1.084 17.593 -6.153 1.00 13.15 O ATOM 797 CB LYS A 50 0.249 15.625 -4.106 1.00 10.43 C ATOM 798 CG LYS A 50 1.133 16.505 -3.239 1.00 11.42 C ATOM 799 CD LYS A 50 2.467 15.839 -2.946 1.00 12.33 C ATOM 800 CE LYS A 50 3.634 16.734 -3.334 1.00 72.13 C ATOM 801 NZ LYS A 50 4.151 17.507 -2.171 1.00 64.14 N ATOM 0 H LYS A 50 -1.809 14.175 -3.873 1.00 51.51 H new ATOM 0 HA LYS A 50 -1.304 17.034 -3.626 1.00 11.23 H new ATOM 0 HB2 LYS A 50 0.226 14.620 -3.684 1.00 10.43 H new ATOM 0 HB3 LYS A 50 0.693 15.544 -5.098 1.00 10.43 H new ATOM 0 HG2 LYS A 50 1.303 17.458 -3.741 1.00 11.42 H new ATOM 0 HG3 LYS A 50 0.622 16.725 -2.302 1.00 11.42 H new ATOM 0 HD2 LYS A 50 2.529 15.598 -1.885 1.00 12.33 H new ATOM 0 HD3 LYS A 50 2.532 14.897 -3.491 1.00 12.33 H new ATOM 0 HE2 LYS A 50 4.436 16.125 -3.750 1.00 72.13 H new ATOM 0 HE3 LYS A 50 3.318 17.424 -4.117 1.00 72.13 H new ATOM 0 HZ1 LYS A 50 4.945 18.104 -2.477 1.00 64.14 H new ATOM 0 HZ2 LYS A 50 3.393 18.108 -1.789 1.00 64.14 H new ATOM 0 HZ3 LYS A 50 4.476 16.849 -1.434 1.00 64.14 H new ATOM 815 N PHE A 51 -2.137 15.622 -6.411 1.00 71.42 N ATOM 816 CA PHE A 51 -2.470 15.858 -7.811 1.00 41.51 C ATOM 817 C PHE A 51 -3.743 16.691 -7.934 1.00 44.12 C ATOM 818 O PHE A 51 -3.790 17.662 -8.689 1.00 33.04 O ATOM 819 CB PHE A 51 -2.643 14.529 -8.548 1.00 75.11 C ATOM 820 CG PHE A 51 -2.152 14.561 -9.967 1.00 4.31 C ATOM 821 CD1 PHE A 51 -2.528 15.585 -10.821 1.00 43.23 C ATOM 822 CD2 PHE A 51 -1.314 13.568 -10.446 1.00 64.54 C ATOM 823 CE1 PHE A 51 -2.077 15.618 -12.127 1.00 43.34 C ATOM 824 CE2 PHE A 51 -0.859 13.596 -11.751 1.00 70.43 C ATOM 825 CZ PHE A 51 -1.242 14.621 -12.593 1.00 40.52 C ATOM 0 H PHE A 51 -2.461 14.726 -6.046 1.00 71.42 H new ATOM 0 HA PHE A 51 -1.649 16.412 -8.265 1.00 41.51 H new ATOM 0 HB2 PHE A 51 -2.109 13.749 -8.005 1.00 75.11 H new ATOM 0 HB3 PHE A 51 -3.698 14.255 -8.543 1.00 75.11 H new ATOM 0 HD1 PHE A 51 -3.181 16.367 -10.462 1.00 43.23 H new ATOM 0 HD2 PHE A 51 -1.013 12.763 -9.793 1.00 64.54 H new ATOM 0 HE1 PHE A 51 -2.377 16.422 -12.782 1.00 43.34 H new ATOM 0 HE2 PHE A 51 -0.204 12.817 -12.112 1.00 70.43 H new ATOM 0 HZ PHE A 51 -0.890 14.643 -13.614 1.00 40.52 H new ATOM 835 N GLU A 52 -4.771 16.302 -7.187 1.00 55.54 N ATOM 836 CA GLU A 52 -6.045 17.012 -7.214 1.00 51.11 C ATOM 837 C GLU A 52 -5.839 18.508 -6.996 1.00 1.30 C ATOM 838 O GLU A 52 -6.411 19.336 -7.705 1.00 74.25 O ATOM 839 CB GLU A 52 -6.987 16.455 -6.145 1.00 73.21 C ATOM 840 CG GLU A 52 -6.293 16.122 -4.835 1.00 42.22 C ATOM 841 CD GLU A 52 -7.035 16.662 -3.628 1.00 32.30 C ATOM 842 OE1 GLU A 52 -6.667 17.753 -3.145 1.00 54.33 O ATOM 843 OE2 GLU A 52 -7.983 15.993 -3.166 1.00 21.21 O ATOM 0 H GLU A 52 -4.747 15.501 -6.557 1.00 55.54 H new ATOM 0 HA GLU A 52 -6.493 16.864 -8.196 1.00 51.11 H new ATOM 0 HB2 GLU A 52 -7.776 17.182 -5.954 1.00 73.21 H new ATOM 0 HB3 GLU A 52 -7.469 15.556 -6.530 1.00 73.21 H new ATOM 0 HG2 GLU A 52 -6.197 15.040 -4.744 1.00 42.22 H new ATOM 0 HG3 GLU A 52 -5.283 16.531 -4.849 1.00 42.22 H new ATOM 850 N LYS A 53 -5.017 18.848 -6.009 1.00 14.54 N ATOM 851 CA LYS A 53 -4.734 20.244 -5.695 1.00 65.13 C ATOM 852 C LYS A 53 -4.265 20.996 -6.937 1.00 23.21 C ATOM 853 O LYS A 53 -4.439 22.210 -7.041 1.00 60.54 O ATOM 854 CB LYS A 53 -3.670 20.336 -4.599 1.00 31.33 C ATOM 855 CG LYS A 53 -3.894 21.482 -3.628 1.00 55.42 C ATOM 856 CD LYS A 53 -2.760 21.592 -2.623 1.00 52.52 C ATOM 857 CE LYS A 53 -1.517 22.203 -3.251 1.00 44.20 C ATOM 858 NZ LYS A 53 -0.270 21.719 -2.597 1.00 22.44 N ATOM 0 H LYS A 53 -4.535 18.176 -5.412 1.00 14.54 H new ATOM 0 HA LYS A 53 -5.655 20.704 -5.338 1.00 65.13 H new ATOM 0 HB2 LYS A 53 -3.651 19.399 -4.043 1.00 31.33 H new ATOM 0 HB3 LYS A 53 -2.691 20.451 -5.064 1.00 31.33 H new ATOM 0 HG2 LYS A 53 -3.983 22.417 -4.182 1.00 55.42 H new ATOM 0 HG3 LYS A 53 -4.836 21.334 -3.100 1.00 55.42 H new ATOM 0 HD2 LYS A 53 -3.079 22.202 -1.778 1.00 52.52 H new ATOM 0 HD3 LYS A 53 -2.522 20.603 -2.231 1.00 52.52 H new ATOM 0 HE2 LYS A 53 -1.489 21.958 -4.313 1.00 44.20 H new ATOM 0 HE3 LYS A 53 -1.569 23.289 -3.176 1.00 44.20 H new ATOM 0 HZ1 LYS A 53 0.555 22.159 -3.054 1.00 22.44 H new ATOM 0 HZ2 LYS A 53 -0.285 21.975 -1.589 1.00 22.44 H new ATOM 0 HZ3 LYS A 53 -0.208 20.685 -2.691 1.00 22.44 H new ATOM 872 N MET A 54 -3.671 20.266 -7.876 1.00 2.42 N ATOM 873 CA MET A 54 -3.180 20.865 -9.112 1.00 3.25 C ATOM 874 C MET A 54 -4.301 20.989 -10.138 1.00 41.34 C ATOM 875 O MET A 54 -4.310 21.914 -10.952 1.00 33.13 O ATOM 876 CB MET A 54 -2.035 20.030 -9.688 1.00 5.41 C ATOM 877 CG MET A 54 -0.680 20.715 -9.602 1.00 12.23 C ATOM 878 SD MET A 54 0.495 20.087 -10.816 1.00 74.45 S ATOM 879 CE MET A 54 0.637 21.497 -11.911 1.00 4.21 C ATOM 0 H MET A 54 -3.518 19.260 -7.805 1.00 2.42 H new ATOM 0 HA MET A 54 -2.811 21.864 -8.881 1.00 3.25 H new ATOM 0 HB2 MET A 54 -1.987 19.079 -9.157 1.00 5.41 H new ATOM 0 HB3 MET A 54 -2.252 19.802 -10.731 1.00 5.41 H new ATOM 0 HG2 MET A 54 -0.810 21.787 -9.749 1.00 12.23 H new ATOM 0 HG3 MET A 54 -0.271 20.577 -8.601 1.00 12.23 H new ATOM 0 HE1 MET A 54 1.332 21.263 -12.717 1.00 4.21 H new ATOM 0 HE2 MET A 54 -0.341 21.731 -12.332 1.00 4.21 H new ATOM 0 HE3 MET A 54 1.006 22.356 -11.351 1.00 4.21 H new ATOM 889 N ILE A 55 -5.243 20.053 -10.095 1.00 42.24 N ATOM 890 CA ILE A 55 -6.368 20.059 -11.022 1.00 11.52 C ATOM 891 C ILE A 55 -7.066 21.415 -11.030 1.00 13.14 C ATOM 892 O ILE A 55 -7.110 22.095 -12.054 1.00 53.13 O ATOM 893 CB ILE A 55 -7.395 18.968 -10.668 1.00 31.25 C ATOM 894 CG1 ILE A 55 -6.745 17.584 -10.734 1.00 41.34 C ATOM 895 CG2 ILE A 55 -8.592 19.042 -11.604 1.00 2.40 C ATOM 896 CD1 ILE A 55 -7.701 16.452 -10.433 1.00 75.12 C ATOM 0 H ILE A 55 -5.250 19.281 -9.428 1.00 42.24 H new ATOM 0 HA ILE A 55 -5.962 19.856 -12.013 1.00 11.52 H new ATOM 0 HB ILE A 55 -7.745 19.137 -9.649 1.00 31.25 H new ATOM 0 HG12 ILE A 55 -6.322 17.437 -11.728 1.00 41.34 H new ATOM 0 HG13 ILE A 55 -5.916 17.547 -10.027 1.00 41.34 H new ATOM 0 HG21 ILE A 55 -9.309 18.264 -11.340 1.00 2.40 H new ATOM 0 HG22 ILE A 55 -9.066 20.019 -11.511 1.00 2.40 H new ATOM 0 HG23 ILE A 55 -8.260 18.896 -12.632 1.00 2.40 H new ATOM 0 HD11 ILE A 55 -7.171 15.502 -10.498 1.00 75.12 H new ATOM 0 HD12 ILE A 55 -8.105 16.574 -9.428 1.00 75.12 H new ATOM 0 HD13 ILE A 55 -8.517 16.463 -11.156 1.00 75.12 H new ATOM 908 N GLN A 56 -7.609 21.802 -9.880 1.00 30.35 N ATOM 909 CA GLN A 56 -8.304 23.077 -9.754 1.00 52.20 C ATOM 910 C GLN A 56 -7.323 24.242 -9.837 1.00 54.23 C ATOM 911 O GLN A 56 -7.724 25.389 -10.033 1.00 4.22 O ATOM 912 CB GLN A 56 -9.073 23.136 -8.433 1.00 24.53 C ATOM 913 CG GLN A 56 -10.580 23.025 -8.600 1.00 5.12 C ATOM 914 CD GLN A 56 -11.317 23.047 -7.275 1.00 42.24 C ATOM 915 OE1 GLN A 56 -10.753 23.413 -6.244 1.00 3.22 O ATOM 916 NE2 GLN A 56 -12.585 22.655 -7.297 1.00 31.30 N ATOM 0 H GLN A 56 -7.581 21.250 -9.022 1.00 30.35 H new ATOM 0 HA GLN A 56 -9.010 23.160 -10.580 1.00 52.20 H new ATOM 0 HB2 GLN A 56 -8.727 22.331 -7.785 1.00 24.53 H new ATOM 0 HB3 GLN A 56 -8.840 24.074 -7.928 1.00 24.53 H new ATOM 0 HG2 GLN A 56 -10.934 23.847 -9.222 1.00 5.12 H new ATOM 0 HG3 GLN A 56 -10.816 22.101 -9.128 1.00 5.12 H new ATOM 0 HE21 GLN A 56 -13.012 22.360 -8.175 1.00 31.30 H new ATOM 0 HE22 GLN A 56 -13.132 22.649 -6.436 1.00 31.30 H new ATOM 925 N GLU A 57 -6.038 23.939 -9.687 1.00 42.02 N ATOM 926 CA GLU A 57 -5.001 24.962 -9.744 1.00 44.35 C ATOM 927 C GLU A 57 -4.752 25.405 -11.184 1.00 23.15 C ATOM 928 O GLU A 57 -4.539 26.587 -11.453 1.00 42.43 O ATOM 929 CB GLU A 57 -3.702 24.438 -9.129 1.00 4.45 C ATOM 930 CG GLU A 57 -2.572 25.455 -9.133 1.00 54.12 C ATOM 931 CD GLU A 57 -1.695 25.359 -7.900 1.00 34.41 C ATOM 932 OE1 GLU A 57 -0.471 25.167 -8.057 1.00 33.23 O ATOM 933 OE2 GLU A 57 -2.233 25.475 -6.779 1.00 24.43 O ATOM 0 H GLU A 57 -5.690 22.994 -9.525 1.00 42.02 H new ATOM 0 HA GLU A 57 -5.345 25.823 -9.171 1.00 44.35 H new ATOM 0 HB2 GLU A 57 -3.896 24.127 -8.102 1.00 4.45 H new ATOM 0 HB3 GLU A 57 -3.383 23.551 -9.676 1.00 4.45 H new ATOM 0 HG2 GLU A 57 -1.959 25.308 -10.022 1.00 54.12 H new ATOM 0 HG3 GLU A 57 -2.992 26.459 -9.198 1.00 54.12 H new ATOM 940 N HIS A 58 -4.780 24.447 -12.104 1.00 64.44 N ATOM 941 CA HIS A 58 -4.557 24.737 -13.516 1.00 71.54 C ATOM 942 C HIS A 58 -4.580 23.455 -14.344 1.00 54.24 C ATOM 943 O HIS A 58 -5.002 23.458 -15.502 1.00 0.15 O ATOM 944 CB HIS A 58 -3.222 25.456 -13.707 1.00 3.42 C ATOM 945 CG HIS A 58 -2.769 25.512 -15.133 1.00 73.05 C ATOM 946 ND1 HIS A 58 -1.729 24.751 -15.623 1.00 44.42 N ATOM 947 CD2 HIS A 58 -3.224 26.242 -16.179 1.00 3.45 C ATOM 948 CE1 HIS A 58 -1.561 25.013 -16.907 1.00 73.22 C ATOM 949 NE2 HIS A 58 -2.456 25.914 -17.269 1.00 55.10 N ATOM 0 H HIS A 58 -4.955 23.463 -11.898 1.00 64.44 H new ATOM 0 HA HIS A 58 -5.363 25.386 -13.859 1.00 71.54 H new ATOM 0 HB2 HIS A 58 -3.308 26.472 -13.322 1.00 3.42 H new ATOM 0 HB3 HIS A 58 -2.460 24.953 -13.112 1.00 3.42 H new ATOM 0 HD2 HIS A 58 -4.039 26.950 -16.159 1.00 3.45 H new ATOM 0 HE1 HIS A 58 -0.818 24.566 -17.551 1.00 73.22 H new ATOM 0 HE2 HIS A 58 -2.560 26.303 -18.206 1.00 55.10 H new ATOM 957 N THR A 59 -4.124 22.360 -13.744 1.00 42.25 N ATOM 958 CA THR A 59 -4.090 21.073 -14.426 1.00 73.45 C ATOM 959 C THR A 59 -5.402 20.801 -15.154 1.00 12.41 C ATOM 960 O THR A 59 -5.416 20.187 -16.221 1.00 0.51 O ATOM 961 CB THR A 59 -3.816 19.922 -13.440 1.00 62.54 C ATOM 962 OG1 THR A 59 -2.412 19.645 -13.389 1.00 22.11 O ATOM 963 CG2 THR A 59 -4.571 18.666 -13.850 1.00 44.05 C ATOM 0 H THR A 59 -3.773 22.339 -12.787 1.00 42.25 H new ATOM 0 HA THR A 59 -3.278 21.122 -15.152 1.00 73.45 H new ATOM 0 HB THR A 59 -4.162 20.229 -12.453 1.00 62.54 H new ATOM 0 HG1 THR A 59 -2.027 19.739 -14.285 1.00 22.11 H new ATOM 0 HG21 THR A 59 -4.362 17.867 -13.139 1.00 44.05 H new ATOM 0 HG22 THR A 59 -5.641 18.872 -13.860 1.00 44.05 H new ATOM 0 HG23 THR A 59 -4.252 18.358 -14.846 1.00 44.05 H new ATOM 971 N ASP A 60 -6.503 21.263 -14.571 1.00 1.23 N ATOM 972 CA ASP A 60 -7.821 21.072 -15.165 1.00 22.21 C ATOM 973 C ASP A 60 -7.813 21.460 -16.640 1.00 54.22 C ATOM 974 O ASP A 60 -8.475 20.827 -17.463 1.00 42.35 O ATOM 975 CB ASP A 60 -8.867 21.896 -14.413 1.00 73.31 C ATOM 976 CG ASP A 60 -10.230 21.843 -15.075 1.00 13.12 C ATOM 977 OD1 ASP A 60 -10.888 20.784 -14.997 1.00 65.21 O ATOM 978 OD2 ASP A 60 -10.640 22.861 -15.670 1.00 12.53 O ATOM 0 H ASP A 60 -6.509 21.773 -13.687 1.00 1.23 H new ATOM 0 HA ASP A 60 -8.078 20.016 -15.087 1.00 22.21 H new ATOM 0 HB2 ASP A 60 -8.948 21.528 -13.390 1.00 73.31 H new ATOM 0 HB3 ASP A 60 -8.535 22.933 -14.354 1.00 73.31 H new ATOM 983 N LYS A 61 -7.062 22.506 -16.968 1.00 24.34 N ATOM 984 CA LYS A 61 -6.967 22.980 -18.343 1.00 61.32 C ATOM 985 C LYS A 61 -5.909 22.199 -19.116 1.00 71.33 C ATOM 986 O LYS A 61 -6.100 21.866 -20.286 1.00 51.43 O ATOM 987 CB LYS A 61 -6.633 24.473 -18.368 1.00 10.01 C ATOM 988 CG LYS A 61 -6.325 25.005 -19.757 1.00 72.41 C ATOM 989 CD LYS A 61 -6.802 26.438 -19.924 1.00 23.30 C ATOM 990 CE LYS A 61 -8.240 26.493 -20.414 1.00 55.23 C ATOM 991 NZ LYS A 61 -8.866 27.818 -20.150 1.00 0.54 N ATOM 0 H LYS A 61 -6.510 23.042 -16.299 1.00 24.34 H new ATOM 0 HA LYS A 61 -7.933 22.822 -18.823 1.00 61.32 H new ATOM 0 HB2 LYS A 61 -7.472 25.031 -17.952 1.00 10.01 H new ATOM 0 HB3 LYS A 61 -5.776 24.656 -17.720 1.00 10.01 H new ATOM 0 HG2 LYS A 61 -5.251 24.955 -19.937 1.00 72.41 H new ATOM 0 HG3 LYS A 61 -6.803 24.372 -20.504 1.00 72.41 H new ATOM 0 HD2 LYS A 61 -6.721 26.963 -18.972 1.00 23.30 H new ATOM 0 HD3 LYS A 61 -6.155 26.958 -20.631 1.00 23.30 H new ATOM 0 HE2 LYS A 61 -8.267 26.285 -21.484 1.00 55.23 H new ATOM 0 HE3 LYS A 61 -8.821 25.713 -19.923 1.00 55.23 H new ATOM 0 HZ1 LYS A 61 -9.846 27.815 -20.499 1.00 0.54 H new ATOM 0 HZ2 LYS A 61 -8.863 28.006 -19.127 1.00 0.54 H new ATOM 0 HZ3 LYS A 61 -8.327 28.560 -20.640 1.00 0.54 H new ATOM 1005 N PHE A 62 -4.794 21.907 -18.455 1.00 11.33 N ATOM 1006 CA PHE A 62 -3.706 21.164 -19.080 1.00 51.50 C ATOM 1007 C PHE A 62 -4.185 19.796 -19.556 1.00 40.24 C ATOM 1008 O PHE A 62 -3.827 19.346 -20.644 1.00 32.33 O ATOM 1009 CB PHE A 62 -2.544 20.997 -18.099 1.00 12.44 C ATOM 1010 CG PHE A 62 -1.194 21.166 -18.734 1.00 63.10 C ATOM 1011 CD1 PHE A 62 -0.874 20.493 -19.902 1.00 53.14 C ATOM 1012 CD2 PHE A 62 -0.243 21.997 -18.163 1.00 34.23 C ATOM 1013 CE1 PHE A 62 0.367 20.646 -20.490 1.00 44.20 C ATOM 1014 CE2 PHE A 62 1.000 22.154 -18.746 1.00 14.21 C ATOM 1015 CZ PHE A 62 1.306 21.477 -19.910 1.00 51.23 C ATOM 0 H PHE A 62 -4.620 22.174 -17.486 1.00 11.33 H new ATOM 0 HA PHE A 62 -3.363 21.731 -19.945 1.00 51.50 H new ATOM 0 HB2 PHE A 62 -2.651 21.724 -17.294 1.00 12.44 H new ATOM 0 HB3 PHE A 62 -2.602 20.008 -17.645 1.00 12.44 H new ATOM 0 HD1 PHE A 62 -1.604 19.841 -20.359 1.00 53.14 H new ATOM 0 HD2 PHE A 62 -0.476 22.528 -17.252 1.00 34.23 H new ATOM 0 HE1 PHE A 62 0.603 20.117 -21.402 1.00 44.20 H new ATOM 0 HE2 PHE A 62 1.732 22.806 -18.292 1.00 14.21 H new ATOM 0 HZ PHE A 62 2.278 21.597 -20.366 1.00 51.23 H new ATOM 1025 N ASN A 63 -4.996 19.140 -18.733 1.00 14.40 N ATOM 1026 CA ASN A 63 -5.524 17.823 -19.069 1.00 31.13 C ATOM 1027 C ASN A 63 -6.190 17.837 -20.442 1.00 5.14 C ATOM 1028 O ASN A 63 -6.287 16.806 -21.108 1.00 1.14 O ATOM 1029 CB ASN A 63 -6.528 17.367 -18.008 1.00 2.03 C ATOM 1030 CG ASN A 63 -6.725 15.863 -18.006 1.00 44.32 C ATOM 1031 OD1 ASN A 63 -6.739 15.270 -16.818 1.00 4.13 O flip ATOM 1032 ND2 ASN A 63 -6.863 15.243 -19.061 1.00 64.13 N flip ATOM 0 H ASN A 63 -5.302 19.499 -17.829 1.00 14.40 H new ATOM 0 HA ASN A 63 -4.690 17.122 -19.096 1.00 31.13 H new ATOM 0 HB2 ASN A 63 -6.183 17.687 -17.025 1.00 2.03 H new ATOM 0 HB3 ASN A 63 -7.486 17.856 -18.185 1.00 2.03 H new ATOM 0 HD21 ASN A 63 -6.846 15.741 -19.951 1.00 64.13 H new ATOM 0 HD22 ASN A 63 -6.995 14.232 -19.045 1.00 64.13 H new ATOM 1039 N LYS A 64 -6.646 19.013 -20.860 1.00 20.25 N ATOM 1040 CA LYS A 64 -7.301 19.164 -22.154 1.00 22.25 C ATOM 1041 C LYS A 64 -6.273 19.229 -23.279 1.00 12.01 C ATOM 1042 O LYS A 64 -6.528 18.772 -24.394 1.00 2.25 O ATOM 1043 CB LYS A 64 -8.167 20.425 -22.166 1.00 10.32 C ATOM 1044 CG LYS A 64 -9.565 20.198 -22.715 1.00 43.12 C ATOM 1045 CD LYS A 64 -10.555 19.880 -21.607 1.00 65.32 C ATOM 1046 CE LYS A 64 -11.983 19.847 -22.128 1.00 71.15 C ATOM 1047 NZ LYS A 64 -12.848 20.843 -21.438 1.00 35.33 N ATOM 0 H LYS A 64 -6.574 19.876 -20.321 1.00 20.25 H new ATOM 0 HA LYS A 64 -7.936 18.293 -22.316 1.00 22.25 H new ATOM 0 HB2 LYS A 64 -8.243 20.813 -21.150 1.00 10.32 H new ATOM 0 HB3 LYS A 64 -7.671 21.190 -22.763 1.00 10.32 H new ATOM 0 HG2 LYS A 64 -9.894 21.087 -23.254 1.00 43.12 H new ATOM 0 HG3 LYS A 64 -9.546 19.378 -23.433 1.00 43.12 H new ATOM 0 HD2 LYS A 64 -10.307 18.917 -21.161 1.00 65.32 H new ATOM 0 HD3 LYS A 64 -10.472 20.627 -20.818 1.00 65.32 H new ATOM 0 HE2 LYS A 64 -11.983 20.046 -23.200 1.00 71.15 H new ATOM 0 HE3 LYS A 64 -12.397 18.848 -21.989 1.00 71.15 H new ATOM 0 HZ1 LYS A 64 -13.813 20.789 -21.821 1.00 35.33 H new ATOM 0 HZ2 LYS A 64 -12.868 20.638 -20.419 1.00 35.33 H new ATOM 0 HZ3 LYS A 64 -12.467 21.799 -21.591 1.00 35.33 H new ATOM 1061 N LYS A 65 -5.111 19.799 -22.980 1.00 64.51 N ATOM 1062 CA LYS A 65 -4.043 19.921 -23.965 1.00 44.31 C ATOM 1063 C LYS A 65 -3.214 18.642 -24.032 1.00 11.33 C ATOM 1064 O LYS A 65 -3.008 18.080 -25.107 1.00 15.40 O ATOM 1065 CB LYS A 65 -3.140 21.109 -23.624 1.00 10.12 C ATOM 1066 CG LYS A 65 -3.862 22.234 -22.903 1.00 51.42 C ATOM 1067 CD LYS A 65 -5.034 22.756 -23.717 1.00 75.01 C ATOM 1068 CE LYS A 65 -5.280 24.234 -23.456 1.00 54.12 C ATOM 1069 NZ LYS A 65 -4.584 25.096 -24.451 1.00 13.31 N ATOM 0 H LYS A 65 -4.885 20.184 -22.063 1.00 64.51 H new ATOM 0 HA LYS A 65 -4.500 20.088 -24.940 1.00 44.31 H new ATOM 0 HB2 LYS A 65 -2.315 20.761 -23.003 1.00 10.12 H new ATOM 0 HB3 LYS A 65 -2.704 21.499 -24.544 1.00 10.12 H new ATOM 0 HG2 LYS A 65 -4.219 21.878 -21.937 1.00 51.42 H new ATOM 0 HG3 LYS A 65 -3.164 23.048 -22.705 1.00 51.42 H new ATOM 0 HD2 LYS A 65 -4.839 22.600 -24.778 1.00 75.01 H new ATOM 0 HD3 LYS A 65 -5.931 22.188 -23.471 1.00 75.01 H new ATOM 0 HE2 LYS A 65 -6.351 24.435 -23.487 1.00 54.12 H new ATOM 0 HE3 LYS A 65 -4.937 24.488 -22.453 1.00 54.12 H new ATOM 0 HZ1 LYS A 65 -4.776 26.096 -24.239 1.00 13.31 H new ATOM 0 HZ2 LYS A 65 -3.560 24.923 -24.404 1.00 13.31 H new ATOM 0 HZ3 LYS A 65 -4.929 24.872 -25.406 1.00 13.31 H new ATOM 1083 N MET A 66 -2.742 18.187 -22.875 1.00 54.45 N ATOM 1084 CA MET A 66 -1.939 16.973 -22.803 1.00 64.23 C ATOM 1085 C MET A 66 -2.775 15.746 -23.152 1.00 32.34 C ATOM 1086 O MET A 66 -2.239 14.659 -23.368 1.00 33.33 O ATOM 1087 CB MET A 66 -1.338 16.815 -21.405 1.00 14.11 C ATOM 1088 CG MET A 66 -0.023 17.554 -21.222 1.00 25.34 C ATOM 1089 SD MET A 66 1.404 16.452 -21.266 1.00 3.13 S ATOM 1090 CE MET A 66 2.565 17.438 -22.209 1.00 15.55 C ATOM 0 H MET A 66 -2.902 18.641 -21.976 1.00 54.45 H new ATOM 0 HA MET A 66 -1.131 17.058 -23.530 1.00 64.23 H new ATOM 0 HB2 MET A 66 -2.054 17.177 -20.667 1.00 14.11 H new ATOM 0 HB3 MET A 66 -1.181 15.755 -21.204 1.00 14.11 H new ATOM 0 HG2 MET A 66 0.079 18.306 -22.005 1.00 25.34 H new ATOM 0 HG3 MET A 66 -0.038 18.085 -20.270 1.00 25.34 H new ATOM 0 HE1 MET A 66 3.500 16.890 -22.322 1.00 15.55 H new ATOM 0 HE2 MET A 66 2.147 17.649 -23.193 1.00 15.55 H new ATOM 0 HE3 MET A 66 2.755 18.376 -21.686 1.00 15.55 H new ATOM 1100 N ARG A 67 -4.091 15.927 -23.204 1.00 3.41 N ATOM 1101 CA ARG A 67 -5.001 14.834 -23.524 1.00 43.44 C ATOM 1102 C ARG A 67 -4.611 14.171 -24.842 1.00 51.33 C ATOM 1103 O ARG A 67 -4.929 13.006 -25.079 1.00 44.30 O ATOM 1104 CB ARG A 67 -6.440 15.348 -23.605 1.00 64.51 C ATOM 1105 CG ARG A 67 -7.396 14.630 -22.666 1.00 4.40 C ATOM 1106 CD ARG A 67 -8.372 13.751 -23.430 1.00 72.55 C ATOM 1107 NE ARG A 67 -9.371 13.149 -22.551 1.00 52.31 N ATOM 1108 CZ ARG A 67 -9.145 12.069 -21.812 1.00 60.22 C ATOM 1109 NH1 ARG A 67 -7.960 11.474 -21.847 1.00 13.44 N ATOM 1110 NH2 ARG A 67 -10.105 11.581 -21.037 1.00 3.15 N ATOM 0 H ARG A 67 -4.551 16.821 -23.029 1.00 3.41 H new ATOM 0 HA ARG A 67 -4.932 14.091 -22.729 1.00 43.44 H new ATOM 0 HB2 ARG A 67 -6.450 16.413 -23.375 1.00 64.51 H new ATOM 0 HB3 ARG A 67 -6.799 15.239 -24.628 1.00 64.51 H new ATOM 0 HG2 ARG A 67 -6.828 14.020 -21.964 1.00 4.40 H new ATOM 0 HG3 ARG A 67 -7.948 15.363 -22.077 1.00 4.40 H new ATOM 0 HD2 ARG A 67 -8.873 14.345 -24.194 1.00 72.55 H new ATOM 0 HD3 ARG A 67 -7.823 12.964 -23.947 1.00 72.55 H new ATOM 0 HE ARG A 67 -10.293 13.582 -22.502 1.00 52.31 H new ATOM 0 HH11 ARG A 67 -7.220 11.846 -22.442 1.00 13.44 H new ATOM 0 HH12 ARG A 67 -7.789 10.645 -21.278 1.00 13.44 H new ATOM 0 HH21 ARG A 67 -11.018 12.035 -21.008 1.00 3.15 H new ATOM 0 HH22 ARG A 67 -9.930 10.751 -20.470 1.00 3.15 H new ATOM 1124 N GLU A 68 -3.922 14.922 -25.696 1.00 11.32 N ATOM 1125 CA GLU A 68 -3.491 14.407 -26.990 1.00 20.00 C ATOM 1126 C GLU A 68 -2.555 13.214 -26.816 1.00 52.23 C ATOM 1127 O GLU A 68 -2.504 12.322 -27.664 1.00 11.21 O ATOM 1128 CB GLU A 68 -2.792 15.505 -27.794 1.00 4.11 C ATOM 1129 CG GLU A 68 -3.710 16.227 -28.766 1.00 21.42 C ATOM 1130 CD GLU A 68 -2.948 17.046 -29.789 1.00 51.40 C ATOM 1131 OE1 GLU A 68 -1.792 17.424 -29.504 1.00 14.30 O ATOM 1132 OE2 GLU A 68 -3.507 17.310 -30.874 1.00 11.21 O ATOM 0 H GLU A 68 -3.651 15.888 -25.515 1.00 11.32 H new ATOM 0 HA GLU A 68 -4.376 14.076 -27.534 1.00 20.00 H new ATOM 0 HB2 GLU A 68 -2.364 16.232 -27.104 1.00 4.11 H new ATOM 0 HB3 GLU A 68 -1.963 15.065 -28.349 1.00 4.11 H new ATOM 0 HG2 GLU A 68 -4.333 15.497 -29.282 1.00 21.42 H new ATOM 0 HG3 GLU A 68 -4.381 16.881 -28.209 1.00 21.42 H new ATOM 1139 N HIS A 69 -1.816 13.206 -25.712 1.00 24.32 N ATOM 1140 CA HIS A 69 -0.881 12.123 -25.426 1.00 20.12 C ATOM 1141 C HIS A 69 -1.455 11.172 -24.379 1.00 44.34 C ATOM 1142 O HIS A 69 -0.765 10.273 -23.899 1.00 4.21 O ATOM 1143 CB HIS A 69 0.454 12.688 -24.941 1.00 3.31 C ATOM 1144 CG HIS A 69 1.239 13.376 -26.015 1.00 41.21 C ATOM 1145 ND1 HIS A 69 1.299 14.748 -26.142 1.00 24.11 N ATOM 1146 CD2 HIS A 69 2.000 12.874 -27.015 1.00 64.41 C ATOM 1147 CE1 HIS A 69 2.062 15.059 -27.174 1.00 44.34 C ATOM 1148 NE2 HIS A 69 2.501 13.940 -27.721 1.00 73.33 N ATOM 0 H HIS A 69 -1.846 13.936 -25.001 1.00 24.32 H new ATOM 0 HA HIS A 69 -0.717 11.565 -26.348 1.00 20.12 H new ATOM 0 HB2 HIS A 69 0.268 13.393 -24.130 1.00 3.31 H new ATOM 0 HB3 HIS A 69 1.053 11.877 -24.527 1.00 3.31 H new ATOM 0 HD2 HIS A 69 2.180 11.829 -27.220 1.00 64.41 H new ATOM 0 HE1 HIS A 69 2.289 16.059 -27.513 1.00 44.34 H new ATOM 0 HE2 HIS A 69 3.112 13.878 -28.535 1.00 73.33 H new ATOM 1156 N SER A 70 -2.721 11.378 -24.031 1.00 5.05 N ATOM 1157 CA SER A 70 -3.385 10.542 -23.038 1.00 13.23 C ATOM 1158 C SER A 70 -3.455 9.092 -23.507 1.00 52.22 C ATOM 1159 O SER A 70 -3.696 8.183 -22.714 1.00 15.32 O ATOM 1160 CB SER A 70 -4.795 11.068 -22.758 1.00 44.24 C ATOM 1161 OG SER A 70 -5.655 10.831 -23.859 1.00 42.23 O ATOM 0 H SER A 70 -3.307 12.116 -24.422 1.00 5.05 H new ATOM 0 HA SER A 70 -2.801 10.580 -22.118 1.00 13.23 H new ATOM 0 HB2 SER A 70 -5.197 10.584 -21.868 1.00 44.24 H new ATOM 0 HB3 SER A 70 -4.753 12.137 -22.549 1.00 44.24 H new ATOM 0 HG SER A 70 -5.485 11.498 -24.557 1.00 42.23 H new ATOM 1167 N GLU A 71 -3.242 8.885 -24.803 1.00 53.51 N ATOM 1168 CA GLU A 71 -3.282 7.546 -25.379 1.00 0.41 C ATOM 1169 C GLU A 71 -2.157 6.680 -24.820 1.00 44.33 C ATOM 1170 O GLU A 71 -2.356 5.504 -24.515 1.00 13.21 O ATOM 1171 CB GLU A 71 -3.175 7.619 -26.904 1.00 14.45 C ATOM 1172 CG GLU A 71 -3.239 6.262 -27.584 1.00 3.22 C ATOM 1173 CD GLU A 71 -1.921 5.867 -28.222 1.00 11.50 C ATOM 1174 OE1 GLU A 71 -1.364 6.684 -28.985 1.00 40.31 O ATOM 1175 OE2 GLU A 71 -1.447 4.743 -27.959 1.00 32.40 O ATOM 0 H GLU A 71 -3.040 9.627 -25.473 1.00 53.51 H new ATOM 0 HA GLU A 71 -4.235 7.091 -25.111 1.00 0.41 H new ATOM 0 HB2 GLU A 71 -3.980 8.246 -27.287 1.00 14.45 H new ATOM 0 HB3 GLU A 71 -2.237 8.106 -27.171 1.00 14.45 H new ATOM 0 HG2 GLU A 71 -3.525 5.506 -26.853 1.00 3.22 H new ATOM 0 HG3 GLU A 71 -4.017 6.278 -28.347 1.00 3.22 H new ATOM 1182 N HIS A 72 -0.973 7.271 -24.690 1.00 24.51 N ATOM 1183 CA HIS A 72 0.186 6.554 -24.168 1.00 74.32 C ATOM 1184 C HIS A 72 0.215 6.605 -22.644 1.00 35.34 C ATOM 1185 O HIS A 72 0.848 5.771 -21.996 1.00 63.13 O ATOM 1186 CB HIS A 72 1.476 7.146 -24.735 1.00 2.35 C ATOM 1187 CG HIS A 72 2.550 6.129 -24.969 1.00 60.11 C ATOM 1188 ND1 HIS A 72 3.891 6.393 -24.784 1.00 14.21 N ATOM 1189 CD2 HIS A 72 2.475 4.840 -25.375 1.00 32.23 C ATOM 1190 CE1 HIS A 72 4.594 5.311 -25.067 1.00 53.21 C ATOM 1191 NE2 HIS A 72 3.758 4.354 -25.428 1.00 1.02 N ATOM 0 H HIS A 72 -0.791 8.243 -24.939 1.00 24.51 H new ATOM 0 HA HIS A 72 0.107 5.512 -24.477 1.00 74.32 H new ATOM 0 HB2 HIS A 72 1.252 7.649 -25.676 1.00 2.35 H new ATOM 0 HB3 HIS A 72 1.850 7.906 -24.048 1.00 2.35 H new ATOM 0 HD2 HIS A 72 1.573 4.295 -25.613 1.00 32.23 H new ATOM 0 HE1 HIS A 72 5.669 5.224 -25.013 1.00 53.21 H new ATOM 0 HE2 HIS A 72 4.023 3.408 -25.702 1.00 1.02 H new ATOM 1199 N PHE A 73 -0.475 7.589 -22.076 1.00 61.11 N ATOM 1200 CA PHE A 73 -0.527 7.750 -20.628 1.00 23.33 C ATOM 1201 C PHE A 73 -1.535 6.786 -20.009 1.00 72.02 C ATOM 1202 O PHE A 73 -1.219 6.056 -19.070 1.00 4.14 O ATOM 1203 CB PHE A 73 -0.893 9.191 -20.266 1.00 71.40 C ATOM 1204 CG PHE A 73 0.052 10.210 -20.835 1.00 12.22 C ATOM 1205 CD1 PHE A 73 -0.410 11.452 -21.241 1.00 20.23 C ATOM 1206 CD2 PHE A 73 1.402 9.927 -20.964 1.00 70.30 C ATOM 1207 CE1 PHE A 73 0.457 12.393 -21.764 1.00 71.51 C ATOM 1208 CE2 PHE A 73 2.274 10.863 -21.486 1.00 54.53 C ATOM 1209 CZ PHE A 73 1.800 12.097 -21.888 1.00 4.40 C ATOM 0 H PHE A 73 -1.006 8.287 -22.597 1.00 61.11 H new ATOM 0 HA PHE A 73 0.461 7.522 -20.227 1.00 23.33 H new ATOM 0 HB2 PHE A 73 -1.901 9.402 -20.623 1.00 71.40 H new ATOM 0 HB3 PHE A 73 -0.912 9.291 -19.181 1.00 71.40 H new ATOM 0 HD1 PHE A 73 -1.460 11.687 -21.148 1.00 20.23 H new ATOM 0 HD2 PHE A 73 1.777 8.963 -20.653 1.00 70.30 H new ATOM 0 HE1 PHE A 73 0.085 13.358 -22.075 1.00 71.51 H new ATOM 0 HE2 PHE A 73 3.324 10.630 -21.580 1.00 54.53 H new ATOM 0 HZ PHE A 73 2.479 12.829 -22.299 1.00 4.40 H new ATOM 1219 N LYS A 74 -2.752 6.790 -20.543 1.00 20.32 N ATOM 1220 CA LYS A 74 -3.809 5.917 -20.046 1.00 24.43 C ATOM 1221 C LYS A 74 -3.391 4.452 -20.134 1.00 51.24 C ATOM 1222 O LYS A 74 -3.917 3.602 -19.417 1.00 15.54 O ATOM 1223 CB LYS A 74 -5.098 6.139 -20.839 1.00 50.24 C ATOM 1224 CG LYS A 74 -6.181 5.117 -20.540 1.00 1.12 C ATOM 1225 CD LYS A 74 -7.566 5.740 -20.592 1.00 43.15 C ATOM 1226 CE LYS A 74 -8.656 4.686 -20.478 1.00 20.30 C ATOM 1227 NZ LYS A 74 -10.000 5.297 -20.283 1.00 71.43 N ATOM 0 H LYS A 74 -3.031 7.389 -21.320 1.00 20.32 H new ATOM 0 HA LYS A 74 -3.987 6.164 -18.999 1.00 24.43 H new ATOM 0 HB2 LYS A 74 -5.481 7.136 -20.621 1.00 50.24 H new ATOM 0 HB3 LYS A 74 -4.868 6.111 -21.904 1.00 50.24 H new ATOM 0 HG2 LYS A 74 -6.121 4.301 -21.260 1.00 1.12 H new ATOM 0 HG3 LYS A 74 -6.012 4.685 -19.554 1.00 1.12 H new ATOM 0 HD2 LYS A 74 -7.671 6.463 -19.783 1.00 43.15 H new ATOM 0 HD3 LYS A 74 -7.685 6.288 -21.527 1.00 43.15 H new ATOM 0 HE2 LYS A 74 -8.663 4.072 -21.379 1.00 20.30 H new ATOM 0 HE3 LYS A 74 -8.434 4.023 -19.642 1.00 20.30 H new ATOM 0 HZ1 LYS A 74 -10.716 4.546 -20.210 1.00 71.43 H new ATOM 0 HZ2 LYS A 74 -10.001 5.862 -19.410 1.00 71.43 H new ATOM 0 HZ3 LYS A 74 -10.223 5.910 -21.093 1.00 71.43 H new ATOM 1241 N ALA A 75 -2.441 4.165 -21.018 1.00 72.14 N ATOM 1242 CA ALA A 75 -1.951 2.804 -21.198 1.00 21.03 C ATOM 1243 C ALA A 75 -1.030 2.397 -20.053 1.00 4.03 C ATOM 1244 O ALA A 75 -0.969 1.226 -19.676 1.00 54.33 O ATOM 1245 CB ALA A 75 -1.228 2.675 -22.530 1.00 74.44 C ATOM 0 H ALA A 75 -1.995 4.857 -21.621 1.00 72.14 H new ATOM 0 HA ALA A 75 -2.809 2.132 -21.197 1.00 21.03 H new ATOM 0 HB1 ALA A 75 -0.868 1.653 -22.651 1.00 74.44 H new ATOM 0 HB2 ALA A 75 -1.915 2.916 -23.342 1.00 74.44 H new ATOM 0 HB3 ALA A 75 -0.383 3.363 -22.553 1.00 74.44 H new ATOM 1251 N LYS A 76 -0.312 3.371 -19.502 1.00 72.52 N ATOM 1252 CA LYS A 76 0.606 3.115 -18.399 1.00 64.22 C ATOM 1253 C LYS A 76 -0.077 2.312 -17.297 1.00 20.01 C ATOM 1254 O LYS A 76 0.526 1.420 -16.700 1.00 70.31 O ATOM 1255 CB LYS A 76 1.134 4.434 -17.831 1.00 41.34 C ATOM 1256 CG LYS A 76 2.346 4.268 -16.930 1.00 75.44 C ATOM 1257 CD LYS A 76 3.612 4.776 -17.599 1.00 12.32 C ATOM 1258 CE LYS A 76 3.940 6.196 -17.164 1.00 13.41 C ATOM 1259 NZ LYS A 76 3.200 7.208 -17.969 1.00 23.21 N ATOM 0 H LYS A 76 -0.349 4.345 -19.802 1.00 72.52 H new ATOM 0 HA LYS A 76 1.442 2.531 -18.784 1.00 64.22 H new ATOM 0 HB2 LYS A 76 1.394 5.097 -18.656 1.00 41.34 H new ATOM 0 HB3 LYS A 76 0.338 4.922 -17.269 1.00 41.34 H new ATOM 0 HG2 LYS A 76 2.184 4.809 -15.998 1.00 75.44 H new ATOM 0 HG3 LYS A 76 2.467 3.216 -16.672 1.00 75.44 H new ATOM 0 HD2 LYS A 76 4.445 4.117 -17.353 1.00 12.32 H new ATOM 0 HD3 LYS A 76 3.490 4.745 -18.682 1.00 12.32 H new ATOM 0 HE2 LYS A 76 3.692 6.319 -16.110 1.00 13.41 H new ATOM 0 HE3 LYS A 76 5.012 6.367 -17.262 1.00 13.41 H new ATOM 0 HZ1 LYS A 76 3.451 8.163 -17.642 1.00 23.21 H new ATOM 0 HZ2 LYS A 76 3.455 7.108 -18.972 1.00 23.21 H new ATOM 0 HZ3 LYS A 76 2.177 7.061 -17.856 1.00 23.21 H new ATOM 1273 N PHE A 77 -1.339 2.634 -17.032 1.00 60.35 N ATOM 1274 CA PHE A 77 -2.105 1.942 -16.002 1.00 65.21 C ATOM 1275 C PHE A 77 -1.990 0.429 -16.163 1.00 61.21 C ATOM 1276 O PHE A 77 -1.938 -0.309 -15.179 1.00 52.43 O ATOM 1277 CB PHE A 77 -3.575 2.362 -16.060 1.00 45.32 C ATOM 1278 CG PHE A 77 -3.977 3.290 -14.950 1.00 0.31 C ATOM 1279 CD1 PHE A 77 -3.456 4.572 -14.877 1.00 62.01 C ATOM 1280 CD2 PHE A 77 -4.876 2.881 -13.979 1.00 32.44 C ATOM 1281 CE1 PHE A 77 -3.824 5.429 -13.857 1.00 33.41 C ATOM 1282 CE2 PHE A 77 -5.249 3.733 -12.956 1.00 63.13 C ATOM 1283 CZ PHE A 77 -4.721 5.008 -12.895 1.00 32.03 C ATOM 0 H PHE A 77 -1.853 3.370 -17.516 1.00 60.35 H new ATOM 0 HA PHE A 77 -1.694 2.219 -15.031 1.00 65.21 H new ATOM 0 HB2 PHE A 77 -3.769 2.847 -17.017 1.00 45.32 H new ATOM 0 HB3 PHE A 77 -4.201 1.471 -16.022 1.00 45.32 H new ATOM 0 HD1 PHE A 77 -2.754 4.906 -15.626 1.00 62.01 H new ATOM 0 HD2 PHE A 77 -5.291 1.885 -14.021 1.00 32.44 H new ATOM 0 HE1 PHE A 77 -3.411 6.426 -13.812 1.00 33.41 H new ATOM 0 HE2 PHE A 77 -5.952 3.402 -12.206 1.00 63.13 H new ATOM 0 HZ PHE A 77 -5.009 5.675 -12.096 1.00 32.03 H new ATOM 1293 N ALA A 78 -1.951 -0.026 -17.411 1.00 73.13 N ATOM 1294 CA ALA A 78 -1.841 -1.450 -17.702 1.00 75.12 C ATOM 1295 C ALA A 78 -0.532 -2.020 -17.167 1.00 73.42 C ATOM 1296 O ALA A 78 -0.492 -3.146 -16.671 1.00 14.30 O ATOM 1297 CB ALA A 78 -1.952 -1.693 -19.200 1.00 40.32 C ATOM 0 H ALA A 78 -1.994 0.571 -18.237 1.00 73.13 H new ATOM 0 HA ALA A 78 -2.662 -1.963 -17.200 1.00 75.12 H new ATOM 0 HB1 ALA A 78 -1.868 -2.761 -19.403 1.00 40.32 H new ATOM 0 HB2 ALA A 78 -2.916 -1.331 -19.557 1.00 40.32 H new ATOM 0 HB3 ALA A 78 -1.151 -1.162 -19.715 1.00 40.32 H new ATOM 1303 N GLU A 79 0.536 -1.237 -17.272 1.00 42.44 N ATOM 1304 CA GLU A 79 1.847 -1.666 -16.800 1.00 2.11 C ATOM 1305 C GLU A 79 2.033 -1.323 -15.325 1.00 10.14 C ATOM 1306 O GLU A 79 2.852 -1.930 -14.633 1.00 15.24 O ATOM 1307 CB GLU A 79 2.953 -1.011 -17.630 1.00 51.23 C ATOM 1308 CG GLU A 79 4.314 -1.033 -16.956 1.00 45.22 C ATOM 1309 CD GLU A 79 4.774 -2.437 -16.614 1.00 55.13 C ATOM 1310 OE1 GLU A 79 4.318 -3.389 -17.283 1.00 0.43 O ATOM 1311 OE2 GLU A 79 5.587 -2.584 -15.679 1.00 24.41 O ATOM 0 H GLU A 79 0.520 -0.302 -17.680 1.00 42.44 H new ATOM 0 HA GLU A 79 1.909 -2.748 -16.915 1.00 2.11 H new ATOM 0 HB2 GLU A 79 3.025 -1.521 -18.591 1.00 51.23 H new ATOM 0 HB3 GLU A 79 2.676 0.023 -17.837 1.00 51.23 H new ATOM 0 HG2 GLU A 79 5.048 -0.564 -17.612 1.00 45.22 H new ATOM 0 HG3 GLU A 79 4.274 -0.436 -16.045 1.00 45.22 H new ATOM 1318 N LEU A 80 1.268 -0.346 -14.850 1.00 2.12 N ATOM 1319 CA LEU A 80 1.348 0.080 -13.457 1.00 33.53 C ATOM 1320 C LEU A 80 1.192 -1.110 -12.514 1.00 41.24 C ATOM 1321 O LEU A 80 1.909 -1.225 -11.519 1.00 54.11 O ATOM 1322 CB LEU A 80 0.271 1.124 -13.160 1.00 13.42 C ATOM 1323 CG LEU A 80 0.431 1.901 -11.852 1.00 71.51 C ATOM 1324 CD1 LEU A 80 -0.357 3.200 -11.903 1.00 12.23 C ATOM 1325 CD2 LEU A 80 -0.013 1.051 -10.670 1.00 51.20 C ATOM 0 H LEU A 80 0.585 0.166 -15.409 1.00 2.12 H new ATOM 0 HA LEU A 80 2.330 0.523 -13.294 1.00 33.53 H new ATOM 0 HB2 LEU A 80 0.249 1.838 -13.983 1.00 13.42 H new ATOM 0 HB3 LEU A 80 -0.697 0.624 -13.146 1.00 13.42 H new ATOM 0 HG LEU A 80 1.485 2.145 -11.723 1.00 71.51 H new ATOM 0 HD11 LEU A 80 -0.231 3.739 -10.964 1.00 12.23 H new ATOM 0 HD12 LEU A 80 0.008 3.815 -12.726 1.00 12.23 H new ATOM 0 HD13 LEU A 80 -1.413 2.979 -12.056 1.00 12.23 H new ATOM 0 HD21 LEU A 80 0.108 1.619 -9.748 1.00 51.20 H new ATOM 0 HD22 LEU A 80 -1.061 0.776 -10.793 1.00 51.20 H new ATOM 0 HD23 LEU A 80 0.596 0.148 -10.622 1.00 51.20 H new ATOM 1337 N LEU A 81 0.253 -1.993 -12.835 1.00 64.23 N ATOM 1338 CA LEU A 81 0.005 -3.176 -12.019 1.00 32.23 C ATOM 1339 C LEU A 81 1.212 -4.108 -12.029 1.00 23.25 C ATOM 1340 O LEU A 81 1.431 -4.866 -11.084 1.00 13.32 O ATOM 1341 CB LEU A 81 -1.232 -3.920 -12.526 1.00 41.23 C ATOM 1342 CG LEU A 81 -1.138 -4.491 -13.942 1.00 1.33 C ATOM 1343 CD1 LEU A 81 -0.709 -5.949 -13.902 1.00 32.34 C ATOM 1344 CD2 LEU A 81 -2.468 -4.344 -14.665 1.00 54.45 C ATOM 0 H LEU A 81 -0.349 -1.912 -13.654 1.00 64.23 H new ATOM 0 HA LEU A 81 -0.170 -2.849 -10.994 1.00 32.23 H new ATOM 0 HB2 LEU A 81 -1.446 -4.739 -11.839 1.00 41.23 H new ATOM 0 HB3 LEU A 81 -2.083 -3.240 -12.486 1.00 41.23 H new ATOM 0 HG LEU A 81 -0.384 -3.927 -14.492 1.00 1.33 H new ATOM 0 HD11 LEU A 81 -0.648 -6.338 -14.918 1.00 32.34 H new ATOM 0 HD12 LEU A 81 0.267 -6.028 -13.424 1.00 32.34 H new ATOM 0 HD13 LEU A 81 -1.439 -6.528 -13.335 1.00 32.34 H new ATOM 0 HD21 LEU A 81 -2.383 -4.755 -15.671 1.00 54.45 H new ATOM 0 HD22 LEU A 81 -3.241 -4.882 -14.117 1.00 54.45 H new ATOM 0 HD23 LEU A 81 -2.734 -3.289 -14.726 1.00 54.45 H new ATOM 1356 N GLU A 82 1.994 -4.045 -13.102 1.00 11.50 N ATOM 1357 CA GLU A 82 3.180 -4.882 -13.233 1.00 62.30 C ATOM 1358 C GLU A 82 4.376 -4.245 -12.532 1.00 45.10 C ATOM 1359 O GLU A 82 5.122 -4.918 -11.821 1.00 11.35 O ATOM 1360 CB GLU A 82 3.506 -5.116 -14.710 1.00 32.53 C ATOM 1361 CG GLU A 82 4.301 -6.386 -14.964 1.00 3.14 C ATOM 1362 CD GLU A 82 3.569 -7.363 -15.863 1.00 22.12 C ATOM 1363 OE1 GLU A 82 2.462 -7.801 -15.485 1.00 25.42 O ATOM 1364 OE2 GLU A 82 4.102 -7.690 -16.944 1.00 5.44 O ATOM 0 H GLU A 82 1.827 -3.423 -13.893 1.00 11.50 H new ATOM 0 HA GLU A 82 2.971 -5.841 -12.758 1.00 62.30 H new ATOM 0 HB2 GLU A 82 2.576 -5.160 -15.276 1.00 32.53 H new ATOM 0 HB3 GLU A 82 4.069 -4.263 -15.089 1.00 32.53 H new ATOM 0 HG2 GLU A 82 5.257 -6.127 -15.418 1.00 3.14 H new ATOM 0 HG3 GLU A 82 4.521 -6.869 -14.012 1.00 3.14 H new ATOM 1371 N GLN A 83 4.552 -2.944 -12.740 1.00 4.03 N ATOM 1372 CA GLN A 83 5.658 -2.216 -12.129 1.00 25.10 C ATOM 1373 C GLN A 83 5.665 -2.405 -10.616 1.00 13.04 C ATOM 1374 O GLN A 83 6.715 -2.337 -9.977 1.00 73.33 O ATOM 1375 CB GLN A 83 5.567 -0.728 -12.469 1.00 15.52 C ATOM 1376 CG GLN A 83 6.832 -0.168 -13.097 1.00 44.42 C ATOM 1377 CD GLN A 83 7.605 0.730 -12.152 1.00 4.53 C ATOM 1378 OE1 GLN A 83 8.061 1.808 -12.535 1.00 4.45 O ATOM 1379 NE2 GLN A 83 7.757 0.290 -10.908 1.00 41.41 N ATOM 0 H GLN A 83 3.943 -2.373 -13.326 1.00 4.03 H new ATOM 0 HA GLN A 83 6.589 -2.617 -12.531 1.00 25.10 H new ATOM 0 HB2 GLN A 83 4.732 -0.571 -13.152 1.00 15.52 H new ATOM 0 HB3 GLN A 83 5.345 -0.169 -11.560 1.00 15.52 H new ATOM 0 HG2 GLN A 83 7.471 -0.992 -13.413 1.00 44.42 H new ATOM 0 HG3 GLN A 83 6.570 0.394 -13.993 1.00 44.42 H new ATOM 0 HE21 GLN A 83 7.362 -0.610 -10.633 1.00 41.41 H new ATOM 0 HE22 GLN A 83 8.268 0.852 -10.227 1.00 41.41 H new ATOM 1388 N GLN A 84 4.486 -2.641 -10.049 1.00 30.32 N ATOM 1389 CA GLN A 84 4.357 -2.839 -8.610 1.00 14.30 C ATOM 1390 C GLN A 84 5.331 -3.903 -8.117 1.00 32.52 C ATOM 1391 O GLN A 84 5.977 -3.738 -7.082 1.00 14.03 O ATOM 1392 CB GLN A 84 2.923 -3.238 -8.256 1.00 23.45 C ATOM 1393 CG GLN A 84 2.591 -3.068 -6.782 1.00 31.11 C ATOM 1394 CD GLN A 84 2.185 -4.371 -6.121 1.00 5.32 C ATOM 1395 OE1 GLN A 84 1.230 -5.023 -6.543 1.00 24.43 O ATOM 1396 NE2 GLN A 84 2.911 -4.757 -5.078 1.00 3.51 N ATOM 0 H GLN A 84 3.607 -2.700 -10.564 1.00 30.32 H new ATOM 0 HA GLN A 84 4.597 -1.898 -8.116 1.00 14.30 H new ATOM 0 HB2 GLN A 84 2.231 -2.638 -8.847 1.00 23.45 H new ATOM 0 HB3 GLN A 84 2.764 -4.279 -8.538 1.00 23.45 H new ATOM 0 HG2 GLN A 84 3.457 -2.656 -6.264 1.00 31.11 H new ATOM 0 HG3 GLN A 84 1.783 -2.344 -6.677 1.00 31.11 H new ATOM 0 HE21 GLN A 84 3.694 -4.185 -4.762 1.00 3.51 H new ATOM 0 HE22 GLN A 84 2.685 -5.625 -4.593 1.00 3.51 H new ATOM 1405 N LYS A 85 5.432 -4.997 -8.864 1.00 73.51 N ATOM 1406 CA LYS A 85 6.328 -6.090 -8.504 1.00 74.35 C ATOM 1407 C LYS A 85 7.744 -5.819 -9.002 1.00 73.23 C ATOM 1408 O LYS A 85 8.720 -6.120 -8.318 1.00 24.24 O ATOM 1409 CB LYS A 85 5.815 -7.410 -9.086 1.00 50.31 C ATOM 1410 CG LYS A 85 5.204 -8.335 -8.048 1.00 63.53 C ATOM 1411 CD LYS A 85 4.374 -9.430 -8.697 1.00 72.02 C ATOM 1412 CE LYS A 85 4.035 -10.534 -7.707 1.00 11.30 C ATOM 1413 NZ LYS A 85 2.627 -10.997 -7.853 1.00 63.34 N ATOM 0 H LYS A 85 4.904 -5.151 -9.723 1.00 73.51 H new ATOM 0 HA LYS A 85 6.352 -6.164 -7.417 1.00 74.35 H new ATOM 0 HB2 LYS A 85 5.070 -7.195 -9.852 1.00 50.31 H new ATOM 0 HB3 LYS A 85 6.640 -7.925 -9.579 1.00 50.31 H new ATOM 0 HG2 LYS A 85 5.996 -8.784 -7.449 1.00 63.53 H new ATOM 0 HG3 LYS A 85 4.578 -7.757 -7.368 1.00 63.53 H new ATOM 0 HD2 LYS A 85 3.454 -9.003 -9.096 1.00 72.02 H new ATOM 0 HD3 LYS A 85 4.921 -9.851 -9.540 1.00 72.02 H new ATOM 0 HE2 LYS A 85 4.711 -11.376 -7.856 1.00 11.30 H new ATOM 0 HE3 LYS A 85 4.195 -10.173 -6.691 1.00 11.30 H new ATOM 0 HZ1 LYS A 85 2.435 -11.749 -7.161 1.00 63.34 H new ATOM 0 HZ2 LYS A 85 1.980 -10.200 -7.686 1.00 63.34 H new ATOM 0 HZ3 LYS A 85 2.481 -11.366 -8.814 1.00 63.34 H new