USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 752 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 83 GLN : amide:sc= -6.54! C(o=-8.9!,f=-3.6!) USER MOD Set 1.2: A 84 GLN : amide:sc= -2.36! K(o=-8.9!,f=-3.6) USER MOD Set 2.1: A 23 MET CE :methyl 162:sc= -2.32 (180deg=-3.28!) USER MOD Set 2.2: A 26 GLN : amide:sc= -0.0112 K(o=-2.3,f=-8.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= -0.214 (180deg=-0.407) USER MOD Single : A 3 THR OG1 : rot -168:sc= -0.633 USER MOD Single : A 4 THR OG1 : rot -69:sc= 0.222 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+ -154:sc= -0.138 (180deg=-0.752) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 28 LYS NZ :NH3+ 147:sc= 0.657 (180deg=0.25) USER MOD Single : A 34 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00363) USER MOD Single : A 39 THR OG1 : rot 7:sc= 0.569 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00834 USER MOD Single : A 44 MET CE :methyl -169:sc= 0 (180deg=-0.113) USER MOD Single : A 45 LYS NZ :NH3+ -116:sc= 0 (180deg=-1.52) USER MOD Single : A 47 HIS : no HE2:sc= -1.88 K(o=-1.9,f=-4.3!) USER MOD Single : A 48 TYR OH : rot 131:sc= 1.13 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 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.054) USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -4.15 K(o=-4.2,f=-3.4!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 149:sc= -0.445 (180deg=-1.69!) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.0791 X(o=-0.079,f=0) USER MOD Single : A 70 SER OG : rot -83:sc= 1.08 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 136:sc= -0.512 (180deg=-2.14!) USER MOD Single : A 85 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.153) USER MOD Single : A 86 ASN : amide:sc= -0.0857 K(o=-0.086,f=-1.9!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 1.813 1.261 -2.053 1.00 25.11 C ATOM 4 O MET A 1 1.913 1.256 -3.279 1.00 53.35 O ATOM 5 CB MET A 1 1.755 -1.240 -2.073 1.00 73.11 C ATOM 6 CG MET A 1 2.001 -2.549 -1.340 1.00 41.22 C ATOM 7 SD MET A 1 0.628 -3.706 -1.505 1.00 22.05 S ATOM 8 CE MET A 1 -0.216 -3.454 0.055 1.00 5.02 C ATOM 0 H1 MET A 1 1.128 -0.980 0.285 1.00 0.00 H new ATOM 0 H2 MET A 1 1.880 0.471 0.746 1.00 0.00 H new ATOM 0 H3 MET A 1 0.434 0.509 -0.144 1.00 0.00 H new ATOM 0 HA MET A 1 3.153 -0.021 -0.988 1.00 52.33 H new ATOM 0 HB2 MET A 1 0.708 -1.192 -2.373 1.00 73.11 H new ATOM 0 HB3 MET A 1 2.349 -1.228 -2.987 1.00 73.11 H new ATOM 0 HG2 MET A 1 2.909 -3.012 -1.726 1.00 41.22 H new ATOM 0 HG3 MET A 1 2.172 -2.343 -0.283 1.00 41.22 H new ATOM 0 HE1 MET A 1 -1.091 -4.102 0.104 1.00 5.02 H new ATOM 0 HE2 MET A 1 0.459 -3.693 0.877 1.00 5.02 H new ATOM 0 HE3 MET A 1 -0.530 -2.413 0.135 1.00 5.02 H new ATOM 18 N ALA A 2 1.464 2.339 -1.359 1.00 54.23 N ATOM 19 CA ALA A 2 1.172 3.608 -2.015 1.00 72.11 C ATOM 20 C ALA A 2 2.384 4.118 -2.788 1.00 35.03 C ATOM 21 O ALA A 2 2.258 4.964 -3.674 1.00 15.14 O ATOM 22 CB ALA A 2 0.723 4.640 -0.991 1.00 43.34 C ATOM 0 H ALA A 2 1.377 2.359 -0.343 1.00 54.23 H new ATOM 0 HA ALA A 2 0.363 3.444 -2.727 1.00 72.11 H new ATOM 0 HB1 ALA A 2 0.508 5.583 -1.494 1.00 43.34 H new ATOM 0 HB2 ALA A 2 -0.176 4.285 -0.487 1.00 43.34 H new ATOM 0 HB3 ALA A 2 1.514 4.793 -0.257 1.00 43.34 H new ATOM 28 N THR A 3 3.559 3.599 -2.446 1.00 71.24 N ATOM 29 CA THR A 3 4.794 4.003 -3.107 1.00 13.05 C ATOM 30 C THR A 3 4.633 4.001 -4.622 1.00 71.14 C ATOM 31 O THR A 3 4.887 5.007 -5.286 1.00 62.41 O ATOM 32 CB THR A 3 5.964 3.077 -2.724 1.00 41.34 C ATOM 33 OG1 THR A 3 5.480 1.754 -2.473 1.00 34.54 O ATOM 34 CG2 THR A 3 6.688 3.601 -1.493 1.00 62.52 C ATOM 0 H THR A 3 3.681 2.898 -1.715 1.00 71.24 H new ATOM 0 HA THR A 3 5.017 5.016 -2.770 1.00 13.05 H new ATOM 0 HB THR A 3 6.667 3.053 -3.556 1.00 41.34 H new ATOM 0 HG1 THR A 3 6.186 1.222 -2.051 1.00 34.54 H new ATOM 0 HG21 THR A 3 7.510 2.931 -1.242 1.00 62.52 H new ATOM 0 HG22 THR A 3 7.081 4.597 -1.698 1.00 62.52 H new ATOM 0 HG23 THR A 3 5.992 3.652 -0.656 1.00 62.52 H new ATOM 42 N THR A 4 4.208 2.864 -5.166 1.00 43.53 N ATOM 43 CA THR A 4 4.014 2.731 -6.605 1.00 11.44 C ATOM 44 C THR A 4 3.261 3.930 -7.171 1.00 33.32 C ATOM 45 O THR A 4 3.521 4.365 -8.293 1.00 11.03 O ATOM 46 CB THR A 4 3.242 1.444 -6.950 1.00 51.14 C ATOM 47 OG1 THR A 4 1.926 1.496 -6.389 1.00 54.50 O ATOM 48 CG2 THR A 4 3.973 0.217 -6.427 1.00 5.30 C ATOM 0 H THR A 4 3.992 2.022 -4.632 1.00 43.53 H new ATOM 0 HA THR A 4 5.005 2.683 -7.055 1.00 11.44 H new ATOM 0 HB THR A 4 3.171 1.370 -8.035 1.00 51.14 H new ATOM 0 HG1 THR A 4 1.984 1.431 -5.413 1.00 54.50 H new ATOM 0 HG21 THR A 4 3.408 -0.680 -6.683 1.00 5.30 H new ATOM 0 HG22 THR A 4 4.963 0.163 -6.879 1.00 5.30 H new ATOM 0 HG23 THR A 4 4.072 0.287 -5.344 1.00 5.30 H new ATOM 56 N TYR A 5 2.327 4.459 -6.388 1.00 42.22 N ATOM 57 CA TYR A 5 1.535 5.607 -6.813 1.00 13.01 C ATOM 58 C TYR A 5 2.252 6.914 -6.490 1.00 3.02 C ATOM 59 O TYR A 5 2.181 7.878 -7.251 1.00 70.12 O ATOM 60 CB TYR A 5 0.163 5.585 -6.137 1.00 30.35 C ATOM 61 CG TYR A 5 -0.629 4.328 -6.416 1.00 34.42 C ATOM 62 CD1 TYR A 5 -1.443 4.231 -7.538 1.00 60.21 C ATOM 63 CD2 TYR A 5 -0.566 3.237 -5.557 1.00 44.22 C ATOM 64 CE1 TYR A 5 -2.169 3.085 -7.797 1.00 74.41 C ATOM 65 CE2 TYR A 5 -1.287 2.087 -5.809 1.00 33.50 C ATOM 66 CZ TYR A 5 -2.088 2.015 -6.930 1.00 2.11 C ATOM 67 OH TYR A 5 -2.809 0.871 -7.184 1.00 14.15 O ATOM 0 H TYR A 5 2.100 4.111 -5.456 1.00 42.22 H new ATOM 0 HA TYR A 5 1.402 5.544 -7.893 1.00 13.01 H new ATOM 0 HB2 TYR A 5 0.296 5.689 -5.060 1.00 30.35 H new ATOM 0 HB3 TYR A 5 -0.412 6.448 -6.472 1.00 30.35 H new ATOM 0 HD1 TYR A 5 -1.509 5.066 -8.219 1.00 60.21 H new ATOM 0 HD2 TYR A 5 0.058 3.290 -4.677 1.00 44.22 H new ATOM 0 HE1 TYR A 5 -2.797 3.027 -8.674 1.00 74.41 H new ATOM 0 HE2 TYR A 5 -1.224 1.248 -5.132 1.00 33.50 H new ATOM 0 HH TYR A 5 -2.639 0.214 -6.477 1.00 14.15 H new ATOM 77 N GLU A 6 2.944 6.937 -5.355 1.00 30.23 N ATOM 78 CA GLU A 6 3.675 8.125 -4.930 1.00 52.01 C ATOM 79 C GLU A 6 4.859 8.394 -5.854 1.00 2.41 C ATOM 80 O GLU A 6 5.382 9.507 -5.901 1.00 13.42 O ATOM 81 CB GLU A 6 4.164 7.962 -3.490 1.00 3.24 C ATOM 82 CG GLU A 6 4.929 9.167 -2.967 1.00 20.42 C ATOM 83 CD GLU A 6 6.389 8.859 -2.697 1.00 61.44 C ATOM 84 OE1 GLU A 6 6.860 9.153 -1.579 1.00 4.40 O ATOM 85 OE2 GLU A 6 7.060 8.324 -3.604 1.00 63.42 O ATOM 0 H GLU A 6 3.014 6.147 -4.714 1.00 30.23 H new ATOM 0 HA GLU A 6 2.996 8.976 -4.981 1.00 52.01 H new ATOM 0 HB2 GLU A 6 3.307 7.778 -2.843 1.00 3.24 H new ATOM 0 HB3 GLU A 6 4.804 7.082 -3.430 1.00 3.24 H new ATOM 0 HG2 GLU A 6 4.861 9.978 -3.692 1.00 20.42 H new ATOM 0 HG3 GLU A 6 4.460 9.520 -2.048 1.00 20.42 H new ATOM 92 N GLU A 7 5.277 7.366 -6.586 1.00 52.52 N ATOM 93 CA GLU A 7 6.400 7.492 -7.507 1.00 41.14 C ATOM 94 C GLU A 7 5.930 7.979 -8.875 1.00 62.54 C ATOM 95 O GLU A 7 6.587 8.802 -9.513 1.00 70.32 O ATOM 96 CB GLU A 7 7.123 6.151 -7.651 1.00 53.04 C ATOM 97 CG GLU A 7 8.540 6.277 -8.184 1.00 40.53 C ATOM 98 CD GLU A 7 9.569 5.663 -7.256 1.00 4.35 C ATOM 99 OE1 GLU A 7 9.381 5.747 -6.024 1.00 1.43 O ATOM 100 OE2 GLU A 7 10.563 5.099 -7.760 1.00 14.12 O ATOM 0 H GLU A 7 4.855 6.438 -6.559 1.00 52.52 H new ATOM 0 HA GLU A 7 7.092 8.228 -7.097 1.00 41.14 H new ATOM 0 HB2 GLU A 7 7.152 5.657 -6.680 1.00 53.04 H new ATOM 0 HB3 GLU A 7 6.549 5.508 -8.318 1.00 53.04 H new ATOM 0 HG2 GLU A 7 8.602 5.794 -9.159 1.00 40.53 H new ATOM 0 HG3 GLU A 7 8.775 7.331 -8.335 1.00 40.53 H new ATOM 107 N PHE A 8 4.789 7.463 -9.320 1.00 70.11 N ATOM 108 CA PHE A 8 4.231 7.843 -10.613 1.00 31.33 C ATOM 109 C PHE A 8 3.490 9.173 -10.516 1.00 10.14 C ATOM 110 O PHE A 8 3.542 9.993 -11.432 1.00 32.12 O ATOM 111 CB PHE A 8 3.284 6.755 -11.123 1.00 33.43 C ATOM 112 CG PHE A 8 3.912 5.838 -12.133 1.00 42.22 C ATOM 113 CD1 PHE A 8 5.206 5.375 -11.958 1.00 20.34 C ATOM 114 CD2 PHE A 8 3.209 5.441 -13.259 1.00 62.32 C ATOM 115 CE1 PHE A 8 5.787 4.531 -12.885 1.00 63.14 C ATOM 116 CE2 PHE A 8 3.785 4.597 -14.190 1.00 60.11 C ATOM 117 CZ PHE A 8 5.076 4.142 -14.004 1.00 10.44 C ATOM 0 H PHE A 8 4.233 6.781 -8.805 1.00 70.11 H new ATOM 0 HA PHE A 8 5.055 7.957 -11.317 1.00 31.33 H new ATOM 0 HB2 PHE A 8 2.933 6.164 -10.277 1.00 33.43 H new ATOM 0 HB3 PHE A 8 2.408 7.227 -11.568 1.00 33.43 H new ATOM 0 HD1 PHE A 8 5.767 5.677 -11.086 1.00 20.34 H new ATOM 0 HD2 PHE A 8 2.200 5.795 -13.411 1.00 62.32 H new ATOM 0 HE1 PHE A 8 6.796 4.176 -12.735 1.00 63.14 H new ATOM 0 HE2 PHE A 8 3.226 4.293 -15.063 1.00 60.11 H new ATOM 0 HZ PHE A 8 5.528 3.484 -14.731 1.00 10.44 H new ATOM 127 N ALA A 9 2.800 9.379 -9.398 1.00 43.23 N ATOM 128 CA ALA A 9 2.050 10.609 -9.180 1.00 12.52 C ATOM 129 C ALA A 9 2.975 11.822 -9.167 1.00 73.23 C ATOM 130 O ALA A 9 2.530 12.956 -9.342 1.00 74.32 O ATOM 131 CB ALA A 9 1.268 10.526 -7.877 1.00 53.34 C ATOM 0 H ALA A 9 2.745 8.710 -8.630 1.00 43.23 H new ATOM 0 HA ALA A 9 1.349 10.729 -10.006 1.00 12.52 H new ATOM 0 HB1 ALA A 9 0.712 11.452 -7.727 1.00 53.34 H new ATOM 0 HB2 ALA A 9 0.572 9.688 -7.923 1.00 53.34 H new ATOM 0 HB3 ALA A 9 1.959 10.379 -7.047 1.00 53.34 H new ATOM 137 N ALA A 10 4.264 11.575 -8.959 1.00 32.34 N ATOM 138 CA ALA A 10 5.251 12.646 -8.924 1.00 42.35 C ATOM 139 C ALA A 10 5.666 13.056 -10.334 1.00 14.03 C ATOM 140 O ALA A 10 5.907 14.233 -10.604 1.00 34.20 O ATOM 141 CB ALA A 10 6.468 12.217 -8.118 1.00 41.32 C ATOM 0 H ALA A 10 4.649 10.642 -8.812 1.00 32.34 H new ATOM 0 HA ALA A 10 4.795 13.510 -8.441 1.00 42.35 H new ATOM 0 HB1 ALA A 10 7.197 13.027 -8.101 1.00 41.32 H new ATOM 0 HB2 ALA A 10 6.164 11.980 -7.098 1.00 41.32 H new ATOM 0 HB3 ALA A 10 6.916 11.336 -8.577 1.00 41.32 H new ATOM 147 N LYS A 11 5.748 12.078 -11.229 1.00 74.21 N ATOM 148 CA LYS A 11 6.132 12.336 -12.612 1.00 25.34 C ATOM 149 C LYS A 11 4.909 12.650 -13.467 1.00 45.03 C ATOM 150 O LYS A 11 5.007 13.354 -14.474 1.00 23.44 O ATOM 151 CB LYS A 11 6.876 11.129 -13.189 1.00 52.23 C ATOM 152 CG LYS A 11 7.790 11.477 -14.351 1.00 52.24 C ATOM 153 CD LYS A 11 8.177 10.241 -15.146 1.00 10.22 C ATOM 154 CE LYS A 11 9.684 10.040 -15.164 1.00 25.54 C ATOM 155 NZ LYS A 11 10.126 9.067 -14.126 1.00 3.11 N ATOM 0 H LYS A 11 5.554 11.098 -11.021 1.00 74.21 H new ATOM 0 HA LYS A 11 6.793 13.203 -12.624 1.00 25.34 H new ATOM 0 HB2 LYS A 11 7.467 10.665 -12.399 1.00 52.23 H new ATOM 0 HB3 LYS A 11 6.148 10.388 -13.519 1.00 52.23 H new ATOM 0 HG2 LYS A 11 7.291 12.191 -15.006 1.00 52.24 H new ATOM 0 HG3 LYS A 11 8.689 11.965 -13.974 1.00 52.24 H new ATOM 0 HD2 LYS A 11 7.697 9.363 -14.713 1.00 10.22 H new ATOM 0 HD3 LYS A 11 7.809 10.334 -16.168 1.00 10.22 H new ATOM 0 HE2 LYS A 11 9.992 9.686 -16.148 1.00 25.54 H new ATOM 0 HE3 LYS A 11 10.180 10.997 -15.000 1.00 25.54 H new ATOM 0 HZ1 LYS A 11 11.159 8.957 -14.170 1.00 3.11 H new ATOM 0 HZ2 LYS A 11 9.855 9.417 -13.185 1.00 3.11 H new ATOM 0 HZ3 LYS A 11 9.673 8.147 -14.297 1.00 3.11 H new ATOM 169 N LEU A 12 3.758 12.126 -13.061 1.00 24.01 N ATOM 170 CA LEU A 12 2.515 12.352 -13.790 1.00 1.12 C ATOM 171 C LEU A 12 2.031 13.787 -13.609 1.00 1.32 C ATOM 172 O LEU A 12 1.293 14.314 -14.442 1.00 22.22 O ATOM 173 CB LEU A 12 1.438 11.375 -13.316 1.00 30.04 C ATOM 174 CG LEU A 12 1.279 10.099 -14.143 1.00 34.34 C ATOM 175 CD1 LEU A 12 1.206 8.880 -13.235 1.00 42.33 C ATOM 176 CD2 LEU A 12 0.040 10.185 -15.023 1.00 23.21 C ATOM 0 H LEU A 12 3.660 11.542 -12.231 1.00 24.01 H new ATOM 0 HA LEU A 12 2.708 12.184 -14.850 1.00 1.12 H new ATOM 0 HB2 LEU A 12 1.660 11.092 -12.287 1.00 30.04 H new ATOM 0 HB3 LEU A 12 0.482 11.898 -13.304 1.00 30.04 H new ATOM 0 HG LEU A 12 2.152 9.995 -14.787 1.00 34.34 H new ATOM 0 HD11 LEU A 12 1.093 7.981 -13.841 1.00 42.33 H new ATOM 0 HD12 LEU A 12 2.121 8.809 -12.647 1.00 42.33 H new ATOM 0 HD13 LEU A 12 0.351 8.976 -12.565 1.00 42.33 H new ATOM 0 HD21 LEU A 12 -0.058 9.268 -15.605 1.00 23.21 H new ATOM 0 HD22 LEU A 12 -0.843 10.313 -14.397 1.00 23.21 H new ATOM 0 HD23 LEU A 12 0.132 11.035 -15.699 1.00 23.21 H new ATOM 188 N ASP A 13 2.453 14.415 -12.517 1.00 2.02 N ATOM 189 CA ASP A 13 2.066 15.791 -12.228 1.00 34.12 C ATOM 190 C ASP A 13 2.532 16.731 -13.335 1.00 70.22 C ATOM 191 O ASP A 13 2.072 17.869 -13.432 1.00 33.51 O ATOM 192 CB ASP A 13 2.648 16.236 -10.885 1.00 53.03 C ATOM 193 CG ASP A 13 1.631 16.170 -9.763 1.00 13.10 C ATOM 194 OD1 ASP A 13 0.536 16.751 -9.919 1.00 31.11 O ATOM 195 OD2 ASP A 13 1.929 15.537 -8.729 1.00 1.11 O ATOM 0 H ASP A 13 3.063 13.993 -11.817 1.00 2.02 H new ATOM 0 HA ASP A 13 0.978 15.833 -12.175 1.00 34.12 H new ATOM 0 HB2 ASP A 13 3.501 15.606 -10.635 1.00 53.03 H new ATOM 0 HB3 ASP A 13 3.021 17.256 -10.974 1.00 53.03 H new ATOM 200 N ARG A 14 3.448 16.248 -14.168 1.00 25.45 N ATOM 201 CA ARG A 14 3.979 17.045 -15.267 1.00 12.34 C ATOM 202 C ARG A 14 3.246 16.733 -16.568 1.00 52.20 C ATOM 203 O ARG A 14 3.528 17.327 -17.610 1.00 15.34 O ATOM 204 CB ARG A 14 5.477 16.785 -15.437 1.00 54.13 C ATOM 205 CG ARG A 14 6.356 17.772 -14.687 1.00 33.14 C ATOM 206 CD ARG A 14 7.730 17.187 -14.399 1.00 13.21 C ATOM 207 NE ARG A 14 8.722 17.610 -15.384 1.00 34.20 N ATOM 208 CZ ARG A 14 10.031 17.449 -15.224 1.00 55.33 C ATOM 209 NH1 ARG A 14 10.503 16.878 -14.125 1.00 15.32 N ATOM 210 NH2 ARG A 14 10.870 17.860 -16.166 1.00 43.01 N ATOM 0 H ARG A 14 3.838 15.308 -14.102 1.00 25.45 H new ATOM 0 HA ARG A 14 3.825 18.097 -15.027 1.00 12.34 H new ATOM 0 HB2 ARG A 14 5.703 15.776 -15.093 1.00 54.13 H new ATOM 0 HB3 ARG A 14 5.726 16.823 -16.498 1.00 54.13 H new ATOM 0 HG2 ARG A 14 6.463 18.684 -15.274 1.00 33.14 H new ATOM 0 HG3 ARG A 14 5.874 18.051 -13.750 1.00 33.14 H new ATOM 0 HD2 ARG A 14 8.053 17.493 -13.404 1.00 13.21 H new ATOM 0 HD3 ARG A 14 7.667 16.099 -14.392 1.00 13.21 H new ATOM 0 HE ARG A 14 8.392 18.053 -16.241 1.00 34.20 H new ATOM 0 HH11 ARG A 14 9.861 16.561 -13.399 1.00 15.32 H new ATOM 0 HH12 ARG A 14 11.509 16.756 -14.005 1.00 15.32 H new ATOM 0 HH21 ARG A 14 10.510 18.300 -17.013 1.00 43.01 H new ATOM 0 HH22 ARG A 14 11.875 17.736 -16.043 1.00 43.01 H new ATOM 224 N LEU A 15 2.305 15.798 -16.501 1.00 61.33 N ATOM 225 CA LEU A 15 1.531 15.406 -17.674 1.00 63.32 C ATOM 226 C LEU A 15 0.072 15.827 -17.530 1.00 25.12 C ATOM 227 O LEU A 15 -0.529 16.350 -18.468 1.00 3.50 O ATOM 228 CB LEU A 15 1.619 13.893 -17.885 1.00 51.22 C ATOM 229 CG LEU A 15 2.909 13.223 -17.411 1.00 33.22 C ATOM 230 CD1 LEU A 15 2.834 11.717 -17.613 1.00 54.53 C ATOM 231 CD2 LEU A 15 4.111 13.802 -18.142 1.00 70.11 C ATOM 0 H LEU A 15 2.059 15.297 -15.647 1.00 61.33 H new ATOM 0 HA LEU A 15 1.952 15.913 -18.542 1.00 63.32 H new ATOM 0 HB2 LEU A 15 0.780 13.425 -17.370 1.00 51.22 H new ATOM 0 HB3 LEU A 15 1.496 13.687 -18.948 1.00 51.22 H new ATOM 0 HG LEU A 15 3.028 13.420 -16.346 1.00 33.22 H new ATOM 0 HD11 LEU A 15 3.761 11.257 -17.270 1.00 54.53 H new ATOM 0 HD12 LEU A 15 1.997 11.315 -17.043 1.00 54.53 H new ATOM 0 HD13 LEU A 15 2.691 11.499 -18.671 1.00 54.53 H new ATOM 0 HD21 LEU A 15 5.020 13.313 -17.792 1.00 70.11 H new ATOM 0 HD22 LEU A 15 4.000 13.636 -19.214 1.00 70.11 H new ATOM 0 HD23 LEU A 15 4.176 14.872 -17.945 1.00 70.11 H new ATOM 243 N ASP A 16 -0.490 15.597 -16.349 1.00 31.34 N ATOM 244 CA ASP A 16 -1.878 15.955 -16.080 1.00 2.33 C ATOM 245 C ASP A 16 -2.795 15.444 -17.186 1.00 33.20 C ATOM 246 O ASP A 16 -3.824 16.051 -17.483 1.00 65.04 O ATOM 247 CB ASP A 16 -2.018 17.472 -15.945 1.00 0.34 C ATOM 248 CG ASP A 16 -1.047 18.056 -14.937 1.00 31.10 C ATOM 249 OD1 ASP A 16 -0.586 17.304 -14.052 1.00 53.23 O ATOM 250 OD2 ASP A 16 -0.748 19.264 -15.034 1.00 5.25 O ATOM 0 H ASP A 16 -0.006 15.164 -15.562 1.00 31.34 H new ATOM 0 HA ASP A 16 -2.174 15.485 -15.142 1.00 2.33 H new ATOM 0 HB2 ASP A 16 -1.852 17.937 -16.917 1.00 0.34 H new ATOM 0 HB3 ASP A 16 -3.038 17.715 -15.646 1.00 0.34 H new ATOM 255 N ALA A 17 -2.415 14.324 -17.792 1.00 73.14 N ATOM 256 CA ALA A 17 -3.204 13.730 -18.865 1.00 10.41 C ATOM 257 C ALA A 17 -4.092 12.609 -18.337 1.00 60.42 C ATOM 258 O ALA A 17 -5.318 12.697 -18.394 1.00 1.12 O ATOM 259 CB ALA A 17 -2.291 13.210 -19.966 1.00 13.34 C ATOM 0 H ALA A 17 -1.566 13.810 -17.558 1.00 73.14 H new ATOM 0 HA ALA A 17 -3.850 14.504 -19.280 1.00 10.41 H new ATOM 0 HB1 ALA A 17 -2.893 12.769 -20.760 1.00 13.34 H new ATOM 0 HB2 ALA A 17 -1.703 14.034 -20.371 1.00 13.34 H new ATOM 0 HB3 ALA A 17 -1.621 12.454 -19.556 1.00 13.34 H new ATOM 265 N GLU A 18 -3.464 11.554 -17.825 1.00 54.42 N ATOM 266 CA GLU A 18 -4.199 10.415 -17.289 1.00 74.21 C ATOM 267 C GLU A 18 -4.570 10.646 -15.827 1.00 32.40 C ATOM 268 O GLU A 18 -5.748 10.659 -15.468 1.00 61.32 O ATOM 269 CB GLU A 18 -3.369 9.136 -17.420 1.00 42.54 C ATOM 270 CG GLU A 18 -3.985 7.936 -16.723 1.00 34.31 C ATOM 271 CD GLU A 18 -5.282 7.487 -17.370 1.00 3.54 C ATOM 272 OE1 GLU A 18 -5.662 8.075 -18.404 1.00 11.32 O ATOM 273 OE2 GLU A 18 -5.915 6.550 -16.842 1.00 35.00 O ATOM 0 H GLU A 18 -2.449 11.465 -17.771 1.00 54.42 H new ATOM 0 HA GLU A 18 -5.117 10.304 -17.866 1.00 74.21 H new ATOM 0 HB2 GLU A 18 -3.239 8.904 -18.477 1.00 42.54 H new ATOM 0 HB3 GLU A 18 -2.376 9.314 -17.008 1.00 42.54 H new ATOM 0 HG2 GLU A 18 -3.274 7.110 -16.733 1.00 34.31 H new ATOM 0 HG3 GLU A 18 -4.171 8.184 -15.678 1.00 34.31 H new ATOM 280 N PHE A 19 -3.556 10.827 -14.987 1.00 74.21 N ATOM 281 CA PHE A 19 -3.775 11.056 -13.564 1.00 25.45 C ATOM 282 C PHE A 19 -4.786 12.176 -13.341 1.00 52.05 C ATOM 283 O PHE A 19 -5.515 12.181 -12.350 1.00 3.43 O ATOM 284 CB PHE A 19 -2.454 11.401 -12.873 1.00 2.43 C ATOM 285 CG PHE A 19 -1.999 10.359 -11.892 1.00 35.33 C ATOM 286 CD1 PHE A 19 -1.750 10.694 -10.571 1.00 23.54 C ATOM 287 CD2 PHE A 19 -1.822 9.044 -12.291 1.00 24.22 C ATOM 288 CE1 PHE A 19 -1.332 9.736 -9.665 1.00 41.41 C ATOM 289 CE2 PHE A 19 -1.404 8.082 -11.390 1.00 15.42 C ATOM 290 CZ PHE A 19 -1.158 8.429 -10.076 1.00 11.33 C ATOM 0 H PHE A 19 -2.575 10.819 -15.267 1.00 74.21 H new ATOM 0 HA PHE A 19 -4.176 10.139 -13.132 1.00 25.45 H new ATOM 0 HB2 PHE A 19 -1.682 11.537 -13.630 1.00 2.43 H new ATOM 0 HB3 PHE A 19 -2.563 12.354 -12.354 1.00 2.43 H new ATOM 0 HD1 PHE A 19 -1.884 11.715 -10.245 1.00 23.54 H new ATOM 0 HD2 PHE A 19 -2.013 8.767 -13.317 1.00 24.22 H new ATOM 0 HE1 PHE A 19 -1.142 10.010 -8.638 1.00 41.41 H new ATOM 0 HE2 PHE A 19 -1.270 7.060 -11.713 1.00 15.42 H new ATOM 0 HZ PHE A 19 -0.830 7.679 -9.371 1.00 11.33 H new ATOM 300 N ALA A 20 -4.824 13.124 -14.272 1.00 72.13 N ATOM 301 CA ALA A 20 -5.747 14.249 -14.180 1.00 25.21 C ATOM 302 C ALA A 20 -7.180 13.807 -14.455 1.00 10.34 C ATOM 303 O ALA A 20 -8.120 14.283 -13.818 1.00 53.31 O ATOM 304 CB ALA A 20 -5.336 15.349 -15.148 1.00 33.41 C ATOM 0 H ALA A 20 -4.226 13.135 -15.098 1.00 72.13 H new ATOM 0 HA ALA A 20 -5.704 14.640 -13.164 1.00 25.21 H new ATOM 0 HB1 ALA A 20 -6.034 16.183 -15.069 1.00 33.41 H new ATOM 0 HB2 ALA A 20 -4.331 15.692 -14.903 1.00 33.41 H new ATOM 0 HB3 ALA A 20 -5.349 14.961 -16.166 1.00 33.41 H new ATOM 310 N LYS A 21 -7.341 12.895 -15.407 1.00 21.21 N ATOM 311 CA LYS A 21 -8.660 12.388 -15.766 1.00 61.24 C ATOM 312 C LYS A 21 -9.060 11.224 -14.865 1.00 43.00 C ATOM 313 O LYS A 21 -10.233 10.859 -14.789 1.00 20.32 O ATOM 314 CB LYS A 21 -8.676 11.942 -17.230 1.00 62.33 C ATOM 315 CG LYS A 21 -9.077 13.042 -18.197 1.00 44.42 C ATOM 316 CD LYS A 21 -10.587 13.159 -18.314 1.00 71.14 C ATOM 317 CE LYS A 21 -11.144 12.183 -19.340 1.00 25.24 C ATOM 318 NZ LYS A 21 -12.468 11.641 -18.928 1.00 20.14 N ATOM 0 H LYS A 21 -6.574 12.491 -15.944 1.00 21.21 H new ATOM 0 HA LYS A 21 -9.381 13.194 -15.630 1.00 61.24 H new ATOM 0 HB2 LYS A 21 -7.686 11.576 -17.500 1.00 62.33 H new ATOM 0 HB3 LYS A 21 -9.366 11.105 -17.339 1.00 62.33 H new ATOM 0 HG2 LYS A 21 -8.663 13.992 -17.860 1.00 44.42 H new ATOM 0 HG3 LYS A 21 -8.650 12.838 -19.179 1.00 44.42 H new ATOM 0 HD2 LYS A 21 -11.044 12.968 -17.343 1.00 71.14 H new ATOM 0 HD3 LYS A 21 -10.853 14.177 -18.597 1.00 71.14 H new ATOM 0 HE2 LYS A 21 -11.241 12.684 -20.303 1.00 25.24 H new ATOM 0 HE3 LYS A 21 -10.442 11.361 -19.478 1.00 25.24 H new ATOM 0 HZ1 LYS A 21 -12.814 10.980 -19.653 1.00 20.14 H new ATOM 0 HZ2 LYS A 21 -12.371 11.141 -18.021 1.00 20.14 H new ATOM 0 HZ3 LYS A 21 -13.145 12.423 -18.821 1.00 20.14 H new ATOM 332 N LYS A 22 -8.077 10.646 -14.182 1.00 74.12 N ATOM 333 CA LYS A 22 -8.326 9.525 -13.283 1.00 52.23 C ATOM 334 C LYS A 22 -8.818 10.016 -11.925 1.00 62.22 C ATOM 335 O LYS A 22 -9.645 9.369 -11.283 1.00 64.34 O ATOM 336 CB LYS A 22 -7.054 8.694 -13.107 1.00 24.20 C ATOM 337 CG LYS A 22 -7.303 7.196 -13.093 1.00 21.41 C ATOM 338 CD LYS A 22 -7.420 6.663 -11.675 1.00 0.14 C ATOM 339 CE LYS A 22 -8.272 5.404 -11.621 1.00 2.25 C ATOM 340 NZ LYS A 22 -9.669 5.660 -12.067 1.00 51.33 N ATOM 0 H LYS A 22 -7.100 10.936 -14.234 1.00 74.12 H new ATOM 0 HA LYS A 22 -9.102 8.901 -13.727 1.00 52.23 H new ATOM 0 HB2 LYS A 22 -6.361 8.931 -13.914 1.00 24.20 H new ATOM 0 HB3 LYS A 22 -6.568 8.982 -12.175 1.00 24.20 H new ATOM 0 HG2 LYS A 22 -8.217 6.973 -13.643 1.00 21.41 H new ATOM 0 HG3 LYS A 22 -6.489 6.686 -13.608 1.00 21.41 H new ATOM 0 HD2 LYS A 22 -6.426 6.448 -11.283 1.00 0.14 H new ATOM 0 HD3 LYS A 22 -7.857 7.427 -11.033 1.00 0.14 H new ATOM 0 HE2 LYS A 22 -7.825 4.636 -12.251 1.00 2.25 H new ATOM 0 HE3 LYS A 22 -8.281 5.015 -10.603 1.00 2.25 H new ATOM 0 HZ1 LYS A 22 -10.307 4.966 -11.627 1.00 51.33 H new ATOM 0 HZ2 LYS A 22 -9.953 6.620 -11.784 1.00 51.33 H new ATOM 0 HZ3 LYS A 22 -9.724 5.573 -13.102 1.00 51.33 H new ATOM 354 N MET A 23 -8.305 11.164 -11.495 1.00 24.44 N ATOM 355 CA MET A 23 -8.694 11.742 -10.214 1.00 33.33 C ATOM 356 C MET A 23 -10.135 12.242 -10.259 1.00 23.24 C ATOM 357 O MET A 23 -10.862 12.154 -9.270 1.00 50.30 O ATOM 358 CB MET A 23 -7.755 12.890 -9.841 1.00 42.22 C ATOM 359 CG MET A 23 -8.156 13.614 -8.566 1.00 44.12 C ATOM 360 SD MET A 23 -8.295 12.504 -7.152 1.00 4.52 S ATOM 361 CE MET A 23 -9.647 13.265 -6.257 1.00 20.44 C ATOM 0 H MET A 23 -7.619 11.712 -12.014 1.00 24.44 H new ATOM 0 HA MET A 23 -8.621 10.963 -9.455 1.00 33.33 H new ATOM 0 HB2 MET A 23 -6.744 12.498 -9.724 1.00 42.22 H new ATOM 0 HB3 MET A 23 -7.726 13.606 -10.662 1.00 42.22 H new ATOM 0 HG2 MET A 23 -7.420 14.387 -8.345 1.00 44.12 H new ATOM 0 HG3 MET A 23 -9.110 14.117 -8.723 1.00 44.12 H new ATOM 0 HE1 MET A 23 -10.064 12.548 -5.549 1.00 20.44 H new ATOM 0 HE2 MET A 23 -9.280 14.137 -5.716 1.00 20.44 H new ATOM 0 HE3 MET A 23 -10.421 13.573 -6.960 1.00 20.44 H new ATOM 371 N GLU A 24 -10.539 12.766 -11.412 1.00 21.15 N ATOM 372 CA GLU A 24 -11.892 13.281 -11.583 1.00 34.30 C ATOM 373 C GLU A 24 -12.926 12.184 -11.343 1.00 50.11 C ATOM 374 O GLU A 24 -14.091 12.466 -11.064 1.00 23.12 O ATOM 375 CB GLU A 24 -12.066 13.862 -12.987 1.00 55.55 C ATOM 376 CG GLU A 24 -12.243 12.807 -14.066 1.00 34.11 C ATOM 377 CD GLU A 24 -13.669 12.730 -14.578 1.00 65.43 C ATOM 378 OE1 GLU A 24 -13.913 13.174 -15.720 1.00 2.14 O ATOM 379 OE2 GLU A 24 -14.539 12.225 -13.839 1.00 10.33 O ATOM 0 H GLU A 24 -9.949 12.845 -12.240 1.00 21.15 H new ATOM 0 HA GLU A 24 -12.048 14.071 -10.848 1.00 34.30 H new ATOM 0 HB2 GLU A 24 -12.932 14.524 -12.992 1.00 55.55 H new ATOM 0 HB3 GLU A 24 -11.197 14.474 -13.228 1.00 55.55 H new ATOM 0 HG2 GLU A 24 -11.574 13.027 -14.898 1.00 34.11 H new ATOM 0 HG3 GLU A 24 -11.950 11.835 -13.670 1.00 34.11 H new ATOM 386 N GLU A 25 -12.490 10.933 -11.455 1.00 50.22 N ATOM 387 CA GLU A 25 -13.378 9.794 -11.252 1.00 2.40 C ATOM 388 C GLU A 25 -13.549 9.497 -9.765 1.00 61.51 C ATOM 389 O GLU A 25 -14.263 8.568 -9.386 1.00 42.45 O ATOM 390 CB GLU A 25 -12.832 8.559 -11.971 1.00 40.23 C ATOM 391 CG GLU A 25 -12.570 8.783 -13.451 1.00 61.22 C ATOM 392 CD GLU A 25 -13.835 8.718 -14.284 1.00 74.10 C ATOM 393 OE1 GLU A 25 -14.583 7.726 -14.150 1.00 42.30 O ATOM 394 OE2 GLU A 25 -14.078 9.658 -15.070 1.00 32.45 O ATOM 0 H GLU A 25 -11.528 10.683 -11.685 1.00 50.22 H new ATOM 0 HA GLU A 25 -14.353 10.046 -11.669 1.00 2.40 H new ATOM 0 HB2 GLU A 25 -11.905 8.249 -11.489 1.00 40.23 H new ATOM 0 HB3 GLU A 25 -13.541 7.739 -11.856 1.00 40.23 H new ATOM 0 HG2 GLU A 25 -12.098 9.756 -13.589 1.00 61.22 H new ATOM 0 HG3 GLU A 25 -11.865 8.033 -13.809 1.00 61.22 H new ATOM 401 N GLN A 26 -12.888 10.290 -8.929 1.00 12.53 N ATOM 402 CA GLN A 26 -12.966 10.111 -7.484 1.00 11.02 C ATOM 403 C GLN A 26 -14.418 10.071 -7.018 1.00 3.03 C ATOM 404 O GLN A 26 -14.765 9.328 -6.101 1.00 20.01 O ATOM 405 CB GLN A 26 -12.219 11.238 -6.768 1.00 20.52 C ATOM 406 CG GLN A 26 -12.284 11.143 -5.252 1.00 12.41 C ATOM 407 CD GLN A 26 -12.827 12.406 -4.612 1.00 32.34 C ATOM 408 OE1 GLN A 26 -12.415 13.515 -4.952 1.00 21.02 O ATOM 409 NE2 GLN A 26 -13.758 12.243 -3.678 1.00 41.34 N ATOM 0 H GLN A 26 -12.292 11.063 -9.227 1.00 12.53 H new ATOM 0 HA GLN A 26 -12.497 9.159 -7.235 1.00 11.02 H new ATOM 0 HB2 GLN A 26 -11.175 11.226 -7.080 1.00 20.52 H new ATOM 0 HB3 GLN A 26 -12.635 12.195 -7.082 1.00 20.52 H new ATOM 0 HG2 GLN A 26 -12.913 10.298 -4.971 1.00 12.41 H new ATOM 0 HG3 GLN A 26 -11.287 10.942 -4.861 1.00 12.41 H new ATOM 0 HE21 GLN A 26 -14.070 11.305 -3.427 1.00 41.34 H new ATOM 0 HE22 GLN A 26 -14.160 13.056 -3.212 1.00 41.34 H new ATOM 418 N ASN A 27 -15.261 10.876 -7.656 1.00 13.14 N ATOM 419 CA ASN A 27 -16.676 10.933 -7.305 1.00 42.23 C ATOM 420 C ASN A 27 -17.323 9.557 -7.429 1.00 2.02 C ATOM 421 O ASN A 27 -18.333 9.273 -6.785 1.00 53.51 O ATOM 422 CB ASN A 27 -17.405 11.934 -8.204 1.00 10.44 C ATOM 423 CG ASN A 27 -18.132 13.002 -7.409 1.00 22.14 C ATOM 424 OD1 ASN A 27 -17.539 13.675 -6.565 1.00 32.30 O ATOM 425 ND2 ASN A 27 -19.423 13.161 -7.675 1.00 0.31 N ATOM 0 H ASN A 27 -14.990 11.497 -8.418 1.00 13.14 H new ATOM 0 HA ASN A 27 -16.755 11.260 -6.268 1.00 42.23 H new ATOM 0 HB2 ASN A 27 -16.686 12.408 -8.872 1.00 10.44 H new ATOM 0 HB3 ASN A 27 -18.120 11.402 -8.831 1.00 10.44 H new ATOM 0 HD21 ASN A 27 -19.965 13.863 -7.172 1.00 0.31 H new ATOM 0 HD22 ASN A 27 -19.873 12.581 -8.383 1.00 0.31 H new ATOM 432 N LYS A 28 -16.733 8.705 -8.260 1.00 71.41 N ATOM 433 CA LYS A 28 -17.249 7.357 -8.468 1.00 33.10 C ATOM 434 C LYS A 28 -16.912 6.456 -7.284 1.00 44.31 C ATOM 435 O LYS A 28 -17.512 5.396 -7.107 1.00 50.25 O ATOM 436 CB LYS A 28 -16.675 6.761 -9.755 1.00 42.54 C ATOM 437 CG LYS A 28 -16.664 7.733 -10.923 1.00 31.01 C ATOM 438 CD LYS A 28 -17.279 7.115 -12.168 1.00 5.41 C ATOM 439 CE LYS A 28 -18.049 8.146 -12.979 1.00 63.12 C ATOM 440 NZ LYS A 28 -17.138 9.049 -13.737 1.00 33.34 N ATOM 0 H LYS A 28 -15.896 8.924 -8.801 1.00 71.41 H new ATOM 0 HA LYS A 28 -18.334 7.421 -8.557 1.00 33.10 H new ATOM 0 HB2 LYS A 28 -15.657 6.422 -9.566 1.00 42.54 H new ATOM 0 HB3 LYS A 28 -17.258 5.882 -10.030 1.00 42.54 H new ATOM 0 HG2 LYS A 28 -17.215 8.634 -10.653 1.00 31.01 H new ATOM 0 HG3 LYS A 28 -15.639 8.037 -11.135 1.00 31.01 H new ATOM 0 HD2 LYS A 28 -16.494 6.678 -12.785 1.00 5.41 H new ATOM 0 HD3 LYS A 28 -17.947 6.303 -11.881 1.00 5.41 H new ATOM 0 HE2 LYS A 28 -18.716 7.637 -13.674 1.00 63.12 H new ATOM 0 HE3 LYS A 28 -18.675 8.739 -12.312 1.00 63.12 H new ATOM 0 HZ1 LYS A 28 -17.589 9.324 -14.633 1.00 33.34 H new ATOM 0 HZ2 LYS A 28 -16.943 9.900 -13.172 1.00 33.34 H new ATOM 0 HZ3 LYS A 28 -16.245 8.554 -13.936 1.00 33.34 H new ATOM 454 N ARG A 29 -15.948 6.886 -6.475 1.00 55.03 N ATOM 455 CA ARG A 29 -15.532 6.118 -5.308 1.00 42.31 C ATOM 456 C ARG A 29 -16.729 5.779 -4.425 1.00 2.44 C ATOM 457 O ARG A 29 -16.687 4.830 -3.642 1.00 71.10 O ATOM 458 CB ARG A 29 -14.494 6.900 -4.501 1.00 3.10 C ATOM 459 CG ARG A 29 -13.843 6.086 -3.394 1.00 75.13 C ATOM 460 CD ARG A 29 -13.797 6.860 -2.087 1.00 13.45 C ATOM 461 NE ARG A 29 -15.071 6.809 -1.375 1.00 15.03 N ATOM 462 CZ ARG A 29 -15.255 7.314 -0.160 1.00 34.53 C ATOM 463 NH1 ARG A 29 -14.253 7.904 0.475 1.00 4.51 N ATOM 464 NH2 ARG A 29 -16.445 7.228 0.423 1.00 63.24 N ATOM 0 H ARG A 29 -15.441 7.761 -6.607 1.00 55.03 H new ATOM 0 HA ARG A 29 -15.085 5.187 -5.657 1.00 42.31 H new ATOM 0 HB2 ARG A 29 -13.720 7.263 -5.177 1.00 3.10 H new ATOM 0 HB3 ARG A 29 -14.972 7.776 -4.063 1.00 3.10 H new ATOM 0 HG2 ARG A 29 -14.397 5.158 -3.249 1.00 75.13 H new ATOM 0 HG3 ARG A 29 -12.831 5.810 -3.691 1.00 75.13 H new ATOM 0 HD2 ARG A 29 -13.010 6.452 -1.452 1.00 13.45 H new ATOM 0 HD3 ARG A 29 -13.537 7.899 -2.290 1.00 13.45 H new ATOM 0 HE ARG A 29 -15.863 6.361 -1.836 1.00 15.03 H new ATOM 0 HH11 ARG A 29 -13.337 7.972 0.031 1.00 4.51 H new ATOM 0 HH12 ARG A 29 -14.397 8.291 1.408 1.00 4.51 H new ATOM 0 HH21 ARG A 29 -17.219 6.774 -0.062 1.00 63.24 H new ATOM 0 HH22 ARG A 29 -16.585 7.616 1.356 1.00 63.24 H new ATOM 478 N PHE A 30 -17.794 6.563 -4.555 1.00 75.41 N ATOM 479 CA PHE A 30 -19.003 6.347 -3.768 1.00 22.22 C ATOM 480 C PHE A 30 -19.880 5.270 -4.401 1.00 44.40 C ATOM 481 O PHE A 30 -20.170 4.247 -3.782 1.00 34.15 O ATOM 482 CB PHE A 30 -19.792 7.651 -3.637 1.00 43.42 C ATOM 483 CG PHE A 30 -20.501 7.794 -2.321 1.00 74.51 C ATOM 484 CD1 PHE A 30 -19.924 8.502 -1.280 1.00 44.32 C ATOM 485 CD2 PHE A 30 -21.746 7.218 -2.125 1.00 34.23 C ATOM 486 CE1 PHE A 30 -20.574 8.635 -0.068 1.00 12.30 C ATOM 487 CE2 PHE A 30 -22.402 7.348 -0.915 1.00 21.20 C ATOM 488 CZ PHE A 30 -21.815 8.056 0.115 1.00 4.31 C ATOM 0 H PHE A 30 -17.845 7.353 -5.198 1.00 75.41 H new ATOM 0 HA PHE A 30 -18.704 6.010 -2.775 1.00 22.22 H new ATOM 0 HB2 PHE A 30 -19.111 8.492 -3.767 1.00 43.42 H new ATOM 0 HB3 PHE A 30 -20.524 7.706 -4.443 1.00 43.42 H new ATOM 0 HD1 PHE A 30 -18.954 8.956 -1.417 1.00 44.32 H new ATOM 0 HD2 PHE A 30 -22.209 6.661 -2.926 1.00 34.23 H new ATOM 0 HE1 PHE A 30 -20.113 9.191 0.735 1.00 12.30 H new ATOM 0 HE2 PHE A 30 -23.373 6.896 -0.775 1.00 21.20 H new ATOM 0 HZ PHE A 30 -22.325 8.157 1.062 1.00 4.31 H new ATOM 498 N PHE A 31 -20.298 5.510 -5.639 1.00 72.34 N ATOM 499 CA PHE A 31 -21.143 4.562 -6.357 1.00 51.42 C ATOM 500 C PHE A 31 -20.436 3.221 -6.524 1.00 21.42 C ATOM 501 O PHE A 31 -21.079 2.177 -6.630 1.00 31.23 O ATOM 502 CB PHE A 31 -21.525 5.124 -7.728 1.00 41.22 C ATOM 503 CG PHE A 31 -22.660 4.389 -8.382 1.00 44.05 C ATOM 504 CD1 PHE A 31 -22.539 3.913 -9.678 1.00 43.11 C ATOM 505 CD2 PHE A 31 -23.847 4.174 -7.702 1.00 13.40 C ATOM 506 CE1 PHE A 31 -23.581 3.236 -10.283 1.00 22.20 C ATOM 507 CE2 PHE A 31 -24.893 3.498 -8.301 1.00 64.45 C ATOM 508 CZ PHE A 31 -24.760 3.029 -9.594 1.00 23.21 C ATOM 0 H PHE A 31 -20.066 6.352 -6.166 1.00 72.34 H new ATOM 0 HA PHE A 31 -22.048 4.405 -5.771 1.00 51.42 H new ATOM 0 HB2 PHE A 31 -21.798 6.174 -7.618 1.00 41.22 H new ATOM 0 HB3 PHE A 31 -20.654 5.087 -8.382 1.00 41.22 H new ATOM 0 HD1 PHE A 31 -21.620 4.073 -10.222 1.00 43.11 H new ATOM 0 HD2 PHE A 31 -23.957 4.539 -6.691 1.00 13.40 H new ATOM 0 HE1 PHE A 31 -23.473 2.869 -11.293 1.00 22.20 H new ATOM 0 HE2 PHE A 31 -25.813 3.336 -7.759 1.00 64.45 H new ATOM 0 HZ PHE A 31 -25.576 2.502 -10.065 1.00 23.21 H new ATOM 518 N ALA A 32 -19.108 3.257 -6.547 1.00 4.53 N ATOM 519 CA ALA A 32 -18.312 2.045 -6.699 1.00 12.51 C ATOM 520 C ALA A 32 -17.633 1.666 -5.387 1.00 43.45 C ATOM 521 O ALA A 32 -16.777 0.782 -5.354 1.00 4.32 O ATOM 522 CB ALA A 32 -17.277 2.228 -7.799 1.00 3.45 C ATOM 0 H ALA A 32 -18.560 4.113 -6.462 1.00 4.53 H new ATOM 0 HA ALA A 32 -18.982 1.232 -6.978 1.00 12.51 H new ATOM 0 HB1 ALA A 32 -16.690 1.315 -7.902 1.00 3.45 H new ATOM 0 HB2 ALA A 32 -17.781 2.443 -8.741 1.00 3.45 H new ATOM 0 HB3 ALA A 32 -16.617 3.057 -7.543 1.00 3.45 H new ATOM 528 N ASP A 33 -18.019 2.341 -4.310 1.00 61.21 N ATOM 529 CA ASP A 33 -17.447 2.074 -2.995 1.00 42.24 C ATOM 530 C ASP A 33 -17.621 0.607 -2.614 1.00 54.51 C ATOM 531 O ASP A 33 -16.900 0.085 -1.764 1.00 44.42 O ATOM 532 CB ASP A 33 -18.099 2.969 -1.941 1.00 13.33 C ATOM 533 CG ASP A 33 -17.175 3.259 -0.775 1.00 24.33 C ATOM 534 OD1 ASP A 33 -17.317 4.335 -0.157 1.00 43.02 O ATOM 535 OD2 ASP A 33 -16.309 2.408 -0.479 1.00 54.40 O ATOM 0 H ASP A 33 -18.725 3.077 -4.321 1.00 61.21 H new ATOM 0 HA ASP A 33 -16.380 2.295 -3.038 1.00 42.24 H new ATOM 0 HB2 ASP A 33 -18.401 3.909 -2.403 1.00 13.33 H new ATOM 0 HB3 ASP A 33 -19.005 2.489 -1.572 1.00 13.33 H new ATOM 540 N LYS A 34 -18.585 -0.053 -3.247 1.00 51.55 N ATOM 541 CA LYS A 34 -18.856 -1.459 -2.976 1.00 23.31 C ATOM 542 C LYS A 34 -17.572 -2.282 -3.036 1.00 14.43 C ATOM 543 O LYS A 34 -16.582 -1.887 -3.652 1.00 30.14 O ATOM 544 CB LYS A 34 -19.872 -2.007 -3.980 1.00 34.32 C ATOM 545 CG LYS A 34 -19.619 -1.559 -5.409 1.00 23.03 C ATOM 546 CD LYS A 34 -20.157 -2.565 -6.413 1.00 3.24 C ATOM 547 CE LYS A 34 -21.472 -2.099 -7.017 1.00 74.44 C ATOM 548 NZ LYS A 34 -22.594 -2.187 -6.041 1.00 65.42 N ATOM 0 H LYS A 34 -19.192 0.365 -3.952 1.00 51.55 H new ATOM 0 HA LYS A 34 -19.270 -1.536 -1.971 1.00 23.31 H new ATOM 0 HB2 LYS A 34 -19.857 -3.096 -3.942 1.00 34.32 H new ATOM 0 HB3 LYS A 34 -20.872 -1.692 -3.681 1.00 34.32 H new ATOM 0 HG2 LYS A 34 -20.089 -0.590 -5.576 1.00 23.03 H new ATOM 0 HG3 LYS A 34 -18.549 -1.425 -5.565 1.00 23.03 H new ATOM 0 HD2 LYS A 34 -19.425 -2.717 -7.206 1.00 3.24 H new ATOM 0 HD3 LYS A 34 -20.301 -3.528 -5.923 1.00 3.24 H new ATOM 0 HE2 LYS A 34 -21.369 -1.070 -7.360 1.00 74.44 H new ATOM 0 HE3 LYS A 34 -21.704 -2.705 -7.893 1.00 74.44 H new ATOM 0 HZ1 LYS A 34 -23.476 -1.876 -6.497 1.00 65.42 H new ATOM 0 HZ2 LYS A 34 -22.698 -3.171 -5.720 1.00 65.42 H new ATOM 0 HZ3 LYS A 34 -22.392 -1.575 -5.224 1.00 65.42 H new ATOM 562 N PRO A 35 -17.588 -3.453 -2.383 1.00 32.14 N ATOM 563 CA PRO A 35 -16.434 -4.356 -2.349 1.00 21.14 C ATOM 564 C PRO A 35 -16.164 -5.003 -3.703 1.00 31.02 C ATOM 565 O PRO A 35 -17.077 -5.521 -4.347 1.00 25.22 O ATOM 566 CB PRO A 35 -16.842 -5.415 -1.322 1.00 34.41 C ATOM 567 CG PRO A 35 -18.332 -5.407 -1.341 1.00 0.32 C ATOM 568 CD PRO A 35 -18.734 -3.986 -1.627 1.00 73.53 C ATOM 0 HA PRO A 35 -15.513 -3.831 -2.097 1.00 21.14 H new ATOM 0 HB2 PRO A 35 -16.448 -6.396 -1.587 1.00 34.41 H new ATOM 0 HB3 PRO A 35 -16.457 -5.174 -0.331 1.00 34.41 H new ATOM 0 HG2 PRO A 35 -18.716 -6.083 -2.105 1.00 0.32 H new ATOM 0 HG3 PRO A 35 -18.736 -5.743 -0.386 1.00 0.32 H new ATOM 0 HD2 PRO A 35 -19.655 -3.938 -2.207 1.00 73.53 H new ATOM 0 HD3 PRO A 35 -18.906 -3.424 -0.709 1.00 73.53 H new ATOM 576 N ASP A 36 -14.906 -4.970 -4.129 1.00 13.21 N ATOM 577 CA ASP A 36 -14.516 -5.555 -5.406 1.00 51.35 C ATOM 578 C ASP A 36 -13.418 -6.596 -5.215 1.00 5.43 C ATOM 579 O ASP A 36 -12.584 -6.801 -6.096 1.00 70.13 O ATOM 580 CB ASP A 36 -14.040 -4.464 -6.367 1.00 10.31 C ATOM 581 CG ASP A 36 -14.959 -3.258 -6.374 1.00 44.32 C ATOM 582 OD1 ASP A 36 -16.144 -3.416 -6.735 1.00 62.33 O ATOM 583 OD2 ASP A 36 -14.493 -2.155 -6.018 1.00 63.31 O ATOM 0 H ASP A 36 -14.139 -4.544 -3.608 1.00 13.21 H new ATOM 0 HA ASP A 36 -15.389 -6.049 -5.833 1.00 51.35 H new ATOM 0 HB2 ASP A 36 -13.035 -4.150 -6.086 1.00 10.31 H new ATOM 0 HB3 ASP A 36 -13.976 -4.874 -7.375 1.00 10.31 H new ATOM 588 N GLU A 37 -13.423 -7.248 -4.057 1.00 32.24 N ATOM 589 CA GLU A 37 -12.425 -8.266 -3.749 1.00 75.33 C ATOM 590 C GLU A 37 -11.085 -7.626 -3.400 1.00 61.41 C ATOM 591 O GLU A 37 -10.557 -7.824 -2.306 1.00 51.11 O ATOM 592 CB GLU A 37 -12.255 -9.219 -4.934 1.00 61.04 C ATOM 593 CG GLU A 37 -12.232 -10.686 -4.538 1.00 3.41 C ATOM 594 CD GLU A 37 -12.175 -11.613 -5.736 1.00 71.12 C ATOM 595 OE1 GLU A 37 -11.545 -12.686 -5.626 1.00 34.01 O ATOM 596 OE2 GLU A 37 -12.760 -11.266 -6.784 1.00 22.54 O ATOM 0 H GLU A 37 -14.107 -7.090 -3.317 1.00 32.24 H new ATOM 0 HA GLU A 37 -12.774 -8.831 -2.885 1.00 75.33 H new ATOM 0 HB2 GLU A 37 -13.069 -9.055 -5.641 1.00 61.04 H new ATOM 0 HB3 GLU A 37 -11.328 -8.977 -5.454 1.00 61.04 H new ATOM 0 HG2 GLU A 37 -11.370 -10.872 -3.898 1.00 3.41 H new ATOM 0 HG3 GLU A 37 -13.121 -10.913 -3.949 1.00 3.41 H new ATOM 603 N ALA A 38 -10.540 -6.859 -4.339 1.00 23.35 N ATOM 604 CA ALA A 38 -9.262 -6.189 -4.130 1.00 71.24 C ATOM 605 C ALA A 38 -9.252 -5.423 -2.812 1.00 33.32 C ATOM 606 O ALA A 38 -8.264 -5.444 -2.077 1.00 15.24 O ATOM 607 CB ALA A 38 -8.963 -5.251 -5.290 1.00 53.22 C ATOM 0 H ALA A 38 -10.963 -6.686 -5.251 1.00 23.35 H new ATOM 0 HA ALA A 38 -8.484 -6.951 -4.082 1.00 71.24 H new ATOM 0 HB1 ALA A 38 -8.006 -4.757 -5.121 1.00 53.22 H new ATOM 0 HB2 ALA A 38 -8.918 -5.822 -6.217 1.00 53.22 H new ATOM 0 HB3 ALA A 38 -9.750 -4.501 -5.364 1.00 53.22 H new ATOM 613 N THR A 39 -10.358 -4.747 -2.517 1.00 52.33 N ATOM 614 CA THR A 39 -10.476 -3.972 -1.288 1.00 71.43 C ATOM 615 C THR A 39 -9.252 -3.090 -1.075 1.00 3.31 C ATOM 616 O THR A 39 -8.721 -3.003 0.034 1.00 75.25 O ATOM 617 CB THR A 39 -10.655 -4.888 -0.062 1.00 64.05 C ATOM 618 OG1 THR A 39 -9.467 -5.660 0.150 1.00 52.33 O ATOM 619 CG2 THR A 39 -11.843 -5.818 -0.251 1.00 33.54 C ATOM 0 H THR A 39 -11.185 -4.721 -3.113 1.00 52.33 H new ATOM 0 HA THR A 39 -11.360 -3.343 -1.394 1.00 71.43 H new ATOM 0 HB THR A 39 -10.840 -4.260 0.810 1.00 64.05 H new ATOM 0 HG1 THR A 39 -8.765 -5.356 -0.463 1.00 52.33 H new ATOM 0 HG21 THR A 39 -11.950 -6.455 0.627 1.00 33.54 H new ATOM 0 HG22 THR A 39 -12.750 -5.228 -0.383 1.00 33.54 H new ATOM 0 HG23 THR A 39 -11.682 -6.439 -1.132 1.00 33.54 H new ATOM 627 N LEU A 40 -8.807 -2.435 -2.142 1.00 30.21 N ATOM 628 CA LEU A 40 -7.644 -1.557 -2.071 1.00 71.22 C ATOM 629 C LEU A 40 -7.772 -0.576 -0.910 1.00 74.14 C ATOM 630 O LEU A 40 -8.879 -0.232 -0.495 1.00 3.21 O ATOM 631 CB LEU A 40 -7.478 -0.792 -3.385 1.00 41.31 C ATOM 632 CG LEU A 40 -6.156 -0.043 -3.563 1.00 73.43 C ATOM 633 CD1 LEU A 40 -5.021 -1.020 -3.828 1.00 73.41 C ATOM 634 CD2 LEU A 40 -6.265 0.970 -4.694 1.00 32.53 C ATOM 0 H LEU A 40 -9.234 -2.495 -3.066 1.00 30.21 H new ATOM 0 HA LEU A 40 -6.762 -2.175 -1.904 1.00 71.22 H new ATOM 0 HB2 LEU A 40 -7.587 -1.497 -4.209 1.00 41.31 H new ATOM 0 HB3 LEU A 40 -8.294 -0.074 -3.470 1.00 41.31 H new ATOM 0 HG LEU A 40 -5.938 0.495 -2.640 1.00 73.43 H new ATOM 0 HD11 LEU A 40 -4.088 -0.469 -3.952 1.00 73.41 H new ATOM 0 HD12 LEU A 40 -4.928 -1.706 -2.986 1.00 73.41 H new ATOM 0 HD13 LEU A 40 -5.232 -1.585 -4.736 1.00 73.41 H new ATOM 0 HD21 LEU A 40 -5.316 1.493 -4.806 1.00 32.53 H new ATOM 0 HD22 LEU A 40 -6.507 0.454 -5.623 1.00 32.53 H new ATOM 0 HD23 LEU A 40 -7.051 1.689 -4.464 1.00 32.53 H new ATOM 646 N SER A 41 -6.633 -0.128 -0.393 1.00 12.24 N ATOM 647 CA SER A 41 -6.618 0.813 0.721 1.00 1.04 C ATOM 648 C SER A 41 -6.551 2.251 0.217 1.00 51.31 C ATOM 649 O SER A 41 -6.270 2.514 -0.953 1.00 24.44 O ATOM 650 CB SER A 41 -5.429 0.528 1.641 1.00 33.53 C ATOM 651 OG SER A 41 -4.801 -0.695 1.298 1.00 62.21 O ATOM 0 H SER A 41 -5.709 -0.401 -0.727 1.00 12.24 H new ATOM 0 HA SER A 41 -7.543 0.686 1.284 1.00 1.04 H new ATOM 0 HB2 SER A 41 -4.708 1.343 1.572 1.00 33.53 H new ATOM 0 HB3 SER A 41 -5.767 0.489 2.676 1.00 33.53 H new ATOM 0 HG SER A 41 -4.043 -0.854 1.899 1.00 62.21 H new ATOM 657 N PRO A 42 -6.816 3.207 1.120 1.00 54.01 N ATOM 658 CA PRO A 42 -6.793 4.635 0.791 1.00 44.40 C ATOM 659 C PRO A 42 -5.381 5.145 0.522 1.00 62.24 C ATOM 660 O PRO A 42 -5.160 6.349 0.396 1.00 63.44 O ATOM 661 CB PRO A 42 -7.370 5.298 2.044 1.00 30.34 C ATOM 662 CG PRO A 42 -7.084 4.337 3.146 1.00 3.05 C ATOM 663 CD PRO A 42 -7.159 2.967 2.532 1.00 75.14 C ATOM 0 HA PRO A 42 -7.353 4.852 -0.119 1.00 44.40 H new ATOM 0 HB2 PRO A 42 -6.903 6.265 2.231 1.00 30.34 H new ATOM 0 HB3 PRO A 42 -8.441 5.475 1.941 1.00 30.34 H new ATOM 0 HG2 PRO A 42 -6.099 4.518 3.576 1.00 3.05 H new ATOM 0 HG3 PRO A 42 -7.808 4.443 3.954 1.00 3.05 H new ATOM 0 HD2 PRO A 42 -6.460 2.276 3.004 1.00 75.14 H new ATOM 0 HD3 PRO A 42 -8.154 2.534 2.636 1.00 75.14 H new ATOM 671 N GLU A 43 -4.430 4.220 0.434 1.00 4.22 N ATOM 672 CA GLU A 43 -3.039 4.578 0.180 1.00 60.30 C ATOM 673 C GLU A 43 -2.929 5.522 -1.014 1.00 34.12 C ATOM 674 O GLU A 43 -2.087 6.419 -1.034 1.00 20.22 O ATOM 675 CB GLU A 43 -2.204 3.321 -0.072 1.00 21.51 C ATOM 676 CG GLU A 43 -2.080 2.957 -1.542 1.00 21.51 C ATOM 677 CD GLU A 43 -1.364 1.637 -1.758 1.00 0.41 C ATOM 678 OE1 GLU A 43 -1.315 0.827 -0.808 1.00 42.44 O ATOM 679 OE2 GLU A 43 -0.853 1.415 -2.875 1.00 41.12 O ATOM 0 H GLU A 43 -4.597 3.219 0.535 1.00 4.22 H new ATOM 0 HA GLU A 43 -2.656 5.090 1.063 1.00 60.30 H new ATOM 0 HB2 GLU A 43 -1.207 3.468 0.342 1.00 21.51 H new ATOM 0 HB3 GLU A 43 -2.652 2.484 0.464 1.00 21.51 H new ATOM 0 HG2 GLU A 43 -3.075 2.903 -1.984 1.00 21.51 H new ATOM 0 HG3 GLU A 43 -1.541 3.748 -2.064 1.00 21.51 H new ATOM 686 N MET A 44 -3.787 5.312 -2.007 1.00 51.32 N ATOM 687 CA MET A 44 -3.787 6.145 -3.205 1.00 34.25 C ATOM 688 C MET A 44 -4.709 7.348 -3.030 1.00 70.41 C ATOM 689 O MET A 44 -4.549 8.368 -3.701 1.00 32.24 O ATOM 690 CB MET A 44 -4.223 5.326 -4.421 1.00 32.30 C ATOM 691 CG MET A 44 -5.623 4.746 -4.294 1.00 4.14 C ATOM 692 SD MET A 44 -6.721 5.286 -5.618 1.00 12.25 S ATOM 693 CE MET A 44 -6.387 4.044 -6.863 1.00 64.52 C ATOM 0 H MET A 44 -4.490 4.573 -2.006 1.00 51.32 H new ATOM 0 HA MET A 44 -2.772 6.508 -3.366 1.00 34.25 H new ATOM 0 HB2 MET A 44 -4.179 5.957 -5.308 1.00 32.30 H new ATOM 0 HB3 MET A 44 -3.514 4.512 -4.574 1.00 32.30 H new ATOM 0 HG2 MET A 44 -5.563 3.658 -4.298 1.00 4.14 H new ATOM 0 HG3 MET A 44 -6.047 5.038 -3.333 1.00 4.14 H new ATOM 0 HE1 MET A 44 -6.838 4.346 -7.808 1.00 64.52 H new ATOM 0 HE2 MET A 44 -5.310 3.938 -6.992 1.00 64.52 H new ATOM 0 HE3 MET A 44 -6.810 3.090 -6.548 1.00 64.52 H new ATOM 703 N LYS A 45 -5.674 7.221 -2.126 1.00 13.52 N ATOM 704 CA LYS A 45 -6.622 8.298 -1.862 1.00 3.00 C ATOM 705 C LYS A 45 -5.958 9.427 -1.079 1.00 74.32 C ATOM 706 O LYS A 45 -6.430 10.563 -1.092 1.00 34.02 O ATOM 707 CB LYS A 45 -7.828 7.765 -1.086 1.00 22.25 C ATOM 708 CG LYS A 45 -8.798 8.849 -0.649 1.00 4.15 C ATOM 709 CD LYS A 45 -10.238 8.454 -0.927 1.00 12.10 C ATOM 710 CE LYS A 45 -10.717 8.998 -2.264 1.00 41.41 C ATOM 711 NZ LYS A 45 -11.415 10.305 -2.113 1.00 41.21 N ATOM 0 H LYS A 45 -5.821 6.383 -1.563 1.00 13.52 H new ATOM 0 HA LYS A 45 -6.960 8.694 -2.820 1.00 3.00 H new ATOM 0 HB2 LYS A 45 -8.359 7.043 -1.707 1.00 22.25 H new ATOM 0 HB3 LYS A 45 -7.475 7.229 -0.205 1.00 22.25 H new ATOM 0 HG2 LYS A 45 -8.672 9.043 0.416 1.00 4.15 H new ATOM 0 HG3 LYS A 45 -8.567 9.777 -1.172 1.00 4.15 H new ATOM 0 HD2 LYS A 45 -10.326 7.368 -0.923 1.00 12.10 H new ATOM 0 HD3 LYS A 45 -10.880 8.829 -0.130 1.00 12.10 H new ATOM 0 HE2 LYS A 45 -9.865 9.116 -2.934 1.00 41.41 H new ATOM 0 HE3 LYS A 45 -11.391 8.278 -2.729 1.00 41.41 H new ATOM 0 HZ1 LYS A 45 -12.410 10.202 -2.399 1.00 41.21 H new ATOM 0 HZ2 LYS A 45 -11.370 10.610 -1.120 1.00 41.21 H new ATOM 0 HZ3 LYS A 45 -10.953 11.017 -2.715 1.00 41.21 H new ATOM 725 N GLU A 46 -4.861 9.105 -0.401 1.00 14.34 N ATOM 726 CA GLU A 46 -4.134 10.094 0.387 1.00 61.32 C ATOM 727 C GLU A 46 -3.186 10.901 -0.495 1.00 51.41 C ATOM 728 O GLU A 46 -2.972 12.093 -0.268 1.00 73.31 O ATOM 729 CB GLU A 46 -3.347 9.408 1.506 1.00 52.21 C ATOM 730 CG GLU A 46 -3.593 10.010 2.879 1.00 34.55 C ATOM 731 CD GLU A 46 -2.856 9.271 3.980 1.00 14.31 C ATOM 732 OE1 GLU A 46 -2.669 8.044 3.848 1.00 60.45 O ATOM 733 OE2 GLU A 46 -2.468 9.920 4.973 1.00 4.43 O ATOM 0 H GLU A 46 -4.457 8.169 -0.381 1.00 14.34 H new ATOM 0 HA GLU A 46 -4.861 10.776 0.829 1.00 61.32 H new ATOM 0 HB2 GLU A 46 -3.611 8.351 1.529 1.00 52.21 H new ATOM 0 HB3 GLU A 46 -2.283 9.466 1.278 1.00 52.21 H new ATOM 0 HG2 GLU A 46 -3.281 11.054 2.875 1.00 34.55 H new ATOM 0 HG3 GLU A 46 -4.662 9.998 3.091 1.00 34.55 H new ATOM 740 N HIS A 47 -2.620 10.244 -1.502 1.00 43.02 N ATOM 741 CA HIS A 47 -1.694 10.900 -2.419 1.00 53.11 C ATOM 742 C HIS A 47 -2.451 11.626 -3.528 1.00 22.14 C ATOM 743 O HIS A 47 -2.154 12.778 -3.844 1.00 2.23 O ATOM 744 CB HIS A 47 -0.734 9.877 -3.026 1.00 41.14 C ATOM 745 CG HIS A 47 0.568 10.469 -3.472 1.00 72.34 C ATOM 746 ND1 HIS A 47 0.685 11.281 -4.581 1.00 30.24 N ATOM 747 CD2 HIS A 47 1.813 10.364 -2.952 1.00 33.45 C ATOM 748 CE1 HIS A 47 1.946 11.648 -4.723 1.00 51.22 C ATOM 749 NE2 HIS A 47 2.651 11.105 -3.747 1.00 51.40 N ATOM 0 H HIS A 47 -2.786 9.258 -1.704 1.00 43.02 H new ATOM 0 HA HIS A 47 -1.120 11.634 -1.854 1.00 53.11 H new ATOM 0 HB2 HIS A 47 -0.536 9.096 -2.292 1.00 41.14 H new ATOM 0 HB3 HIS A 47 -1.217 9.398 -3.878 1.00 41.14 H new ATOM 0 HD1 HIS A 47 -0.082 11.555 -5.195 1.00 30.24 H new ATOM 0 HD2 HIS A 47 2.095 9.801 -2.074 1.00 33.45 H new ATOM 0 HE1 HIS A 47 2.335 12.284 -5.505 1.00 51.22 H new ATOM 757 N TYR A 48 -3.428 10.944 -4.114 1.00 52.14 N ATOM 758 CA TYR A 48 -4.225 11.523 -5.190 1.00 21.23 C ATOM 759 C TYR A 48 -4.835 12.854 -4.760 1.00 63.34 C ATOM 760 O TYR A 48 -5.157 13.699 -5.595 1.00 24.30 O ATOM 761 CB TYR A 48 -5.331 10.554 -5.611 1.00 14.32 C ATOM 762 CG TYR A 48 -4.875 9.508 -6.602 1.00 31.40 C ATOM 763 CD1 TYR A 48 -5.776 8.909 -7.474 1.00 34.43 C ATOM 764 CD2 TYR A 48 -3.543 9.117 -6.666 1.00 74.13 C ATOM 765 CE1 TYR A 48 -5.364 7.951 -8.380 1.00 53.35 C ATOM 766 CE2 TYR A 48 -3.122 8.162 -7.571 1.00 32.42 C ATOM 767 CZ TYR A 48 -4.036 7.582 -8.426 1.00 33.44 C ATOM 768 OH TYR A 48 -3.621 6.629 -9.327 1.00 61.51 O ATOM 0 H TYR A 48 -3.688 9.990 -3.863 1.00 52.14 H new ATOM 0 HA TYR A 48 -3.567 11.704 -6.040 1.00 21.23 H new ATOM 0 HB2 TYR A 48 -5.723 10.056 -4.724 1.00 14.32 H new ATOM 0 HB3 TYR A 48 -6.153 11.122 -6.047 1.00 14.32 H new ATOM 0 HD1 TYR A 48 -6.816 9.197 -7.443 1.00 34.43 H new ATOM 0 HD2 TYR A 48 -2.825 9.567 -5.997 1.00 74.13 H new ATOM 0 HE1 TYR A 48 -6.078 7.493 -9.049 1.00 53.35 H new ATOM 0 HE2 TYR A 48 -2.083 7.871 -7.609 1.00 32.42 H new ATOM 0 HH TYR A 48 -2.834 6.957 -9.810 1.00 61.51 H new ATOM 778 N GLU A 49 -4.989 13.032 -3.452 1.00 73.21 N ATOM 779 CA GLU A 49 -5.561 14.260 -2.911 1.00 65.42 C ATOM 780 C GLU A 49 -4.692 15.464 -3.261 1.00 42.25 C ATOM 781 O GLU A 49 -5.143 16.608 -3.202 1.00 51.22 O ATOM 782 CB GLU A 49 -5.713 14.151 -1.393 1.00 13.54 C ATOM 783 CG GLU A 49 -7.145 14.320 -0.911 1.00 63.33 C ATOM 784 CD GLU A 49 -7.348 13.811 0.502 1.00 35.34 C ATOM 785 OE1 GLU A 49 -7.544 14.646 1.410 1.00 30.45 O ATOM 786 OE2 GLU A 49 -7.312 12.578 0.701 1.00 12.50 O ATOM 0 H GLU A 49 -4.726 12.343 -2.748 1.00 73.21 H new ATOM 0 HA GLU A 49 -6.545 14.401 -3.358 1.00 65.42 H new ATOM 0 HB2 GLU A 49 -5.341 13.179 -1.068 1.00 13.54 H new ATOM 0 HB3 GLU A 49 -5.087 14.907 -0.918 1.00 13.54 H new ATOM 0 HG2 GLU A 49 -7.418 15.374 -0.956 1.00 63.33 H new ATOM 0 HG3 GLU A 49 -7.817 13.788 -1.585 1.00 63.33 H new ATOM 793 N LYS A 50 -3.442 15.199 -3.626 1.00 70.23 N ATOM 794 CA LYS A 50 -2.508 16.259 -3.987 1.00 72.22 C ATOM 795 C LYS A 50 -2.634 16.615 -5.465 1.00 61.21 C ATOM 796 O LYS A 50 -2.246 17.705 -5.886 1.00 73.35 O ATOM 797 CB LYS A 50 -1.073 15.830 -3.675 1.00 44.22 C ATOM 798 CG LYS A 50 -0.273 16.882 -2.926 1.00 31.24 C ATOM 799 CD LYS A 50 1.195 16.503 -2.830 1.00 63.05 C ATOM 800 CE LYS A 50 2.014 17.605 -2.175 1.00 72.20 C ATOM 801 NZ LYS A 50 3.263 17.893 -2.932 1.00 64.51 N ATOM 0 H LYS A 50 -3.052 14.258 -3.680 1.00 70.23 H new ATOM 0 HA LYS A 50 -2.753 17.142 -3.397 1.00 72.22 H new ATOM 0 HB2 LYS A 50 -1.097 14.915 -3.084 1.00 44.22 H new ATOM 0 HB3 LYS A 50 -0.562 15.594 -4.608 1.00 44.22 H new ATOM 0 HG2 LYS A 50 -0.369 17.842 -3.432 1.00 31.24 H new ATOM 0 HG3 LYS A 50 -0.684 17.007 -1.924 1.00 31.24 H new ATOM 0 HD2 LYS A 50 1.297 15.582 -2.256 1.00 63.05 H new ATOM 0 HD3 LYS A 50 1.586 16.302 -3.827 1.00 63.05 H new ATOM 0 HE2 LYS A 50 1.413 18.512 -2.107 1.00 72.20 H new ATOM 0 HE3 LYS A 50 2.266 17.313 -1.156 1.00 72.20 H new ATOM 0 HZ1 LYS A 50 3.793 18.649 -2.453 1.00 64.51 H new ATOM 0 HZ2 LYS A 50 3.848 17.035 -2.975 1.00 64.51 H new ATOM 0 HZ3 LYS A 50 3.022 18.197 -3.897 1.00 64.51 H new ATOM 815 N PHE A 51 -3.179 15.689 -6.248 1.00 11.34 N ATOM 816 CA PHE A 51 -3.356 15.906 -7.679 1.00 14.13 C ATOM 817 C PHE A 51 -4.624 16.710 -7.954 1.00 61.22 C ATOM 818 O PHE A 51 -4.611 17.658 -8.739 1.00 33.34 O ATOM 819 CB PHE A 51 -3.418 14.566 -8.415 1.00 53.32 C ATOM 820 CG PHE A 51 -2.665 14.561 -9.714 1.00 44.03 C ATOM 821 CD1 PHE A 51 -1.326 14.206 -9.752 1.00 42.34 C ATOM 822 CD2 PHE A 51 -3.295 14.911 -10.898 1.00 1.35 C ATOM 823 CE1 PHE A 51 -0.629 14.200 -10.946 1.00 54.03 C ATOM 824 CE2 PHE A 51 -2.604 14.906 -12.094 1.00 42.44 C ATOM 825 CZ PHE A 51 -1.269 14.552 -12.119 1.00 32.43 C ATOM 0 H PHE A 51 -3.505 14.782 -5.915 1.00 11.34 H new ATOM 0 HA PHE A 51 -2.500 16.474 -8.044 1.00 14.13 H new ATOM 0 HB2 PHE A 51 -3.016 13.786 -7.768 1.00 53.32 H new ATOM 0 HB3 PHE A 51 -4.461 14.314 -8.608 1.00 53.32 H new ATOM 0 HD1 PHE A 51 -0.821 13.931 -8.838 1.00 42.34 H new ATOM 0 HD2 PHE A 51 -4.338 15.191 -10.885 1.00 1.35 H new ATOM 0 HE1 PHE A 51 0.414 13.921 -10.962 1.00 54.03 H new ATOM 0 HE2 PHE A 51 -3.108 15.179 -13.010 1.00 42.44 H new ATOM 0 HZ PHE A 51 -0.727 14.550 -13.053 1.00 32.43 H new ATOM 835 N GLU A 52 -5.716 16.322 -7.303 1.00 53.41 N ATOM 836 CA GLU A 52 -6.992 17.006 -7.479 1.00 73.11 C ATOM 837 C GLU A 52 -6.834 18.512 -7.288 1.00 61.42 C ATOM 838 O GLU A 52 -7.355 19.307 -8.071 1.00 23.32 O ATOM 839 CB GLU A 52 -8.028 16.462 -6.493 1.00 21.23 C ATOM 840 CG GLU A 52 -7.458 16.161 -5.117 1.00 32.53 C ATOM 841 CD GLU A 52 -8.334 16.684 -3.995 1.00 53.12 C ATOM 842 OE1 GLU A 52 -8.880 15.857 -3.234 1.00 40.54 O ATOM 843 OE2 GLU A 52 -8.474 17.919 -3.878 1.00 55.34 O ATOM 0 H GLU A 52 -5.743 15.539 -6.650 1.00 53.41 H new ATOM 0 HA GLU A 52 -7.336 16.821 -8.496 1.00 73.11 H new ATOM 0 HB2 GLU A 52 -8.836 17.186 -6.392 1.00 21.23 H new ATOM 0 HB3 GLU A 52 -8.465 15.552 -6.903 1.00 21.23 H new ATOM 0 HG2 GLU A 52 -7.337 15.083 -5.006 1.00 32.53 H new ATOM 0 HG3 GLU A 52 -6.465 16.604 -5.034 1.00 32.53 H new ATOM 850 N LYS A 53 -6.111 18.896 -6.242 1.00 14.44 N ATOM 851 CA LYS A 53 -5.882 20.306 -5.946 1.00 73.20 C ATOM 852 C LYS A 53 -5.306 21.029 -7.159 1.00 14.50 C ATOM 853 O LYS A 53 -5.458 22.243 -7.299 1.00 21.30 O ATOM 854 CB LYS A 53 -4.933 20.450 -4.754 1.00 51.44 C ATOM 855 CG LYS A 53 -5.534 21.215 -3.588 1.00 3.43 C ATOM 856 CD LYS A 53 -4.456 21.819 -2.703 1.00 31.02 C ATOM 857 CE LYS A 53 -4.522 21.265 -1.288 1.00 0.13 C ATOM 858 NZ LYS A 53 -3.174 21.189 -0.659 1.00 34.14 N ATOM 0 H LYS A 53 -5.673 18.251 -5.584 1.00 14.44 H new ATOM 0 HA LYS A 53 -6.841 20.760 -5.696 1.00 73.20 H new ATOM 0 HB2 LYS A 53 -4.638 19.458 -4.413 1.00 51.44 H new ATOM 0 HB3 LYS A 53 -4.026 20.957 -5.082 1.00 51.44 H new ATOM 0 HG2 LYS A 53 -6.182 22.006 -3.966 1.00 3.43 H new ATOM 0 HG3 LYS A 53 -6.159 20.546 -2.996 1.00 3.43 H new ATOM 0 HD2 LYS A 53 -3.475 21.612 -3.130 1.00 31.02 H new ATOM 0 HD3 LYS A 53 -4.570 22.903 -2.676 1.00 31.02 H new ATOM 0 HE2 LYS A 53 -5.171 21.896 -0.681 1.00 0.13 H new ATOM 0 HE3 LYS A 53 -4.970 20.272 -1.307 1.00 0.13 H new ATOM 0 HZ1 LYS A 53 -3.261 20.807 0.304 1.00 34.14 H new ATOM 0 HZ2 LYS A 53 -2.562 20.567 -1.224 1.00 34.14 H new ATOM 0 HZ3 LYS A 53 -2.756 22.141 -0.617 1.00 34.14 H new ATOM 872 N MET A 54 -4.647 20.277 -8.033 1.00 60.35 N ATOM 873 CA MET A 54 -4.051 20.847 -9.236 1.00 51.20 C ATOM 874 C MET A 54 -5.075 20.930 -10.364 1.00 31.25 C ATOM 875 O MET A 54 -5.010 21.823 -11.209 1.00 33.21 O ATOM 876 CB MET A 54 -2.850 20.011 -9.682 1.00 73.22 C ATOM 877 CG MET A 54 -1.518 20.726 -9.521 1.00 74.53 C ATOM 878 SD MET A 54 -0.195 19.619 -8.997 1.00 70.44 S ATOM 879 CE MET A 54 1.050 19.969 -10.237 1.00 11.15 C ATOM 0 H MET A 54 -4.512 19.271 -7.931 1.00 60.35 H new ATOM 0 HA MET A 54 -3.714 21.856 -9.000 1.00 51.20 H new ATOM 0 HB2 MET A 54 -2.828 19.086 -9.106 1.00 73.22 H new ATOM 0 HB3 MET A 54 -2.980 19.733 -10.728 1.00 73.22 H new ATOM 0 HG2 MET A 54 -1.243 21.192 -10.467 1.00 74.53 H new ATOM 0 HG3 MET A 54 -1.626 21.528 -8.791 1.00 74.53 H new ATOM 0 HE1 MET A 54 1.933 19.359 -10.048 1.00 11.15 H new ATOM 0 HE2 MET A 54 0.654 19.737 -11.226 1.00 11.15 H new ATOM 0 HE3 MET A 54 1.321 21.024 -10.193 1.00 11.15 H new ATOM 889 N ILE A 55 -6.018 19.994 -10.370 1.00 33.11 N ATOM 890 CA ILE A 55 -7.056 19.962 -11.393 1.00 43.53 C ATOM 891 C ILE A 55 -7.749 21.315 -11.515 1.00 14.13 C ATOM 892 O ILE A 55 -7.698 21.958 -12.563 1.00 24.41 O ATOM 893 CB ILE A 55 -8.111 18.882 -11.092 1.00 51.11 C ATOM 894 CG1 ILE A 55 -7.463 17.496 -11.072 1.00 42.31 C ATOM 895 CG2 ILE A 55 -9.231 18.934 -12.121 1.00 1.24 C ATOM 896 CD1 ILE A 55 -8.440 16.376 -10.794 1.00 73.12 C ATOM 0 H ILE A 55 -6.085 19.248 -9.678 1.00 33.11 H new ATOM 0 HA ILE A 55 -6.563 19.723 -12.335 1.00 43.53 H new ATOM 0 HB ILE A 55 -8.538 19.077 -10.108 1.00 51.11 H new ATOM 0 HG12 ILE A 55 -6.980 17.316 -12.032 1.00 42.31 H new ATOM 0 HG13 ILE A 55 -6.680 17.481 -10.314 1.00 42.31 H new ATOM 0 HG21 ILE A 55 -9.969 18.164 -11.895 1.00 1.24 H new ATOM 0 HG22 ILE A 55 -9.708 19.914 -12.091 1.00 1.24 H new ATOM 0 HG23 ILE A 55 -8.820 18.761 -13.115 1.00 1.24 H new ATOM 0 HD11 ILE A 55 -7.911 15.423 -10.795 1.00 73.12 H new ATOM 0 HD12 ILE A 55 -8.905 16.532 -9.821 1.00 73.12 H new ATOM 0 HD13 ILE A 55 -9.209 16.364 -11.566 1.00 73.12 H new ATOM 908 N GLN A 56 -8.396 21.741 -10.435 1.00 13.24 N ATOM 909 CA GLN A 56 -9.099 23.018 -10.420 1.00 54.53 C ATOM 910 C GLN A 56 -8.117 24.182 -10.504 1.00 63.20 C ATOM 911 O GLN A 56 -8.505 25.315 -10.784 1.00 13.23 O ATOM 912 CB GLN A 56 -9.949 23.143 -9.154 1.00 64.01 C ATOM 913 CG GLN A 56 -11.234 22.333 -9.202 1.00 31.23 C ATOM 914 CD GLN A 56 -11.854 22.142 -7.832 1.00 33.53 C ATOM 915 OE1 GLN A 56 -12.090 23.107 -7.104 1.00 74.51 O ATOM 916 NE2 GLN A 56 -12.122 20.892 -7.472 1.00 73.42 N ATOM 0 H GLN A 56 -8.448 21.221 -9.559 1.00 13.24 H new ATOM 0 HA GLN A 56 -9.752 23.054 -11.292 1.00 54.53 H new ATOM 0 HB2 GLN A 56 -9.358 22.821 -8.296 1.00 64.01 H new ATOM 0 HB3 GLN A 56 -10.197 24.192 -8.995 1.00 64.01 H new ATOM 0 HG2 GLN A 56 -11.950 22.833 -9.854 1.00 31.23 H new ATOM 0 HG3 GLN A 56 -11.028 21.358 -9.643 1.00 31.23 H new ATOM 0 HE21 GLN A 56 -11.910 20.122 -8.106 1.00 73.42 H new ATOM 0 HE22 GLN A 56 -12.540 20.702 -6.561 1.00 73.42 H new ATOM 925 N GLU A 57 -6.842 23.892 -10.259 1.00 54.44 N ATOM 926 CA GLU A 57 -5.805 24.916 -10.306 1.00 62.13 C ATOM 927 C GLU A 57 -5.442 25.257 -11.749 1.00 1.13 C ATOM 928 O GLU A 57 -5.194 26.417 -12.081 1.00 32.23 O ATOM 929 CB GLU A 57 -4.559 24.445 -9.553 1.00 42.40 C ATOM 930 CG GLU A 57 -4.074 25.430 -8.502 1.00 55.44 C ATOM 931 CD GLU A 57 -3.864 26.824 -9.062 1.00 64.23 C ATOM 932 OE1 GLU A 57 -3.245 26.942 -10.141 1.00 23.42 O ATOM 933 OE2 GLU A 57 -4.317 27.796 -8.423 1.00 23.33 O ATOM 0 H GLU A 57 -6.504 22.958 -10.027 1.00 54.44 H new ATOM 0 HA GLU A 57 -6.194 25.814 -9.826 1.00 62.13 H new ATOM 0 HB2 GLU A 57 -4.774 23.491 -9.072 1.00 42.40 H new ATOM 0 HB3 GLU A 57 -3.757 24.267 -10.270 1.00 42.40 H new ATOM 0 HG2 GLU A 57 -4.799 25.474 -7.689 1.00 55.44 H new ATOM 0 HG3 GLU A 57 -3.138 25.069 -8.075 1.00 55.44 H new ATOM 940 N HIS A 58 -5.412 24.238 -12.602 1.00 40.30 N ATOM 941 CA HIS A 58 -5.079 24.429 -14.009 1.00 54.43 C ATOM 942 C HIS A 58 -5.022 23.091 -14.741 1.00 12.55 C ATOM 943 O HIS A 58 -5.344 23.005 -15.926 1.00 43.12 O ATOM 944 CB HIS A 58 -3.741 25.156 -14.145 1.00 23.52 C ATOM 945 CG HIS A 58 -3.824 26.421 -14.941 1.00 1.41 C ATOM 946 ND1 HIS A 58 -2.835 26.830 -15.811 1.00 71.51 N ATOM 947 CD2 HIS A 58 -4.787 27.371 -14.996 1.00 71.23 C ATOM 948 CE1 HIS A 58 -3.186 27.976 -16.366 1.00 3.11 C ATOM 949 NE2 HIS A 58 -4.366 28.326 -15.889 1.00 15.03 N ATOM 0 H HIS A 58 -5.614 23.272 -12.344 1.00 40.30 H new ATOM 0 HA HIS A 58 -5.862 25.038 -14.462 1.00 54.43 H new ATOM 0 HB2 HIS A 58 -3.360 25.387 -13.150 1.00 23.52 H new ATOM 0 HB3 HIS A 58 -3.020 24.487 -14.615 1.00 23.52 H new ATOM 0 HD2 HIS A 58 -5.714 27.377 -14.441 1.00 71.23 H new ATOM 0 HE1 HIS A 58 -2.606 28.532 -17.088 1.00 3.11 H new ATOM 0 HE2 HIS A 58 -4.882 29.169 -16.142 1.00 15.03 H new ATOM 957 N THR A 59 -4.610 22.049 -14.026 1.00 3.01 N ATOM 958 CA THR A 59 -4.508 20.716 -14.607 1.00 13.23 C ATOM 959 C THR A 59 -5.758 20.369 -15.407 1.00 71.14 C ATOM 960 O THR A 59 -5.683 19.684 -16.427 1.00 62.45 O ATOM 961 CB THR A 59 -4.294 19.645 -13.521 1.00 21.01 C ATOM 962 OG1 THR A 59 -2.894 19.395 -13.349 1.00 15.02 O ATOM 963 CG2 THR A 59 -5.004 18.351 -13.890 1.00 3.04 C ATOM 0 H THR A 59 -4.341 22.102 -13.043 1.00 3.01 H new ATOM 0 HA THR A 59 -3.645 20.726 -15.272 1.00 13.23 H new ATOM 0 HB THR A 59 -4.714 20.017 -12.586 1.00 21.01 H new ATOM 0 HG1 THR A 59 -2.766 18.714 -12.656 1.00 15.02 H new ATOM 0 HG21 THR A 59 -4.839 17.610 -13.108 1.00 3.04 H new ATOM 0 HG22 THR A 59 -6.073 18.539 -13.992 1.00 3.04 H new ATOM 0 HG23 THR A 59 -4.610 17.976 -14.835 1.00 3.04 H new ATOM 971 N ASP A 60 -6.906 20.846 -14.940 1.00 12.04 N ATOM 972 CA ASP A 60 -8.173 20.587 -15.614 1.00 12.12 C ATOM 973 C ASP A 60 -8.084 20.945 -17.094 1.00 70.31 C ATOM 974 O ASP A 60 -8.613 20.234 -17.949 1.00 20.42 O ATOM 975 CB ASP A 60 -9.300 21.382 -14.951 1.00 65.13 C ATOM 976 CG ASP A 60 -10.564 21.400 -15.787 1.00 35.33 C ATOM 977 OD1 ASP A 60 -10.868 22.455 -16.383 1.00 23.34 O ATOM 978 OD2 ASP A 60 -11.251 20.358 -15.845 1.00 41.34 O ATOM 0 H ASP A 60 -6.986 21.414 -14.097 1.00 12.04 H new ATOM 0 HA ASP A 60 -8.391 19.522 -15.528 1.00 12.12 H new ATOM 0 HB2 ASP A 60 -9.520 20.950 -13.975 1.00 65.13 H new ATOM 0 HB3 ASP A 60 -8.967 22.405 -14.779 1.00 65.13 H new ATOM 983 N LYS A 61 -7.412 22.052 -17.391 1.00 32.04 N ATOM 984 CA LYS A 61 -7.253 22.505 -18.767 1.00 42.32 C ATOM 985 C LYS A 61 -6.074 21.806 -19.437 1.00 50.41 C ATOM 986 O LYS A 61 -6.075 21.590 -20.649 1.00 71.21 O ATOM 987 CB LYS A 61 -7.050 24.022 -18.806 1.00 64.43 C ATOM 988 CG LYS A 61 -6.905 24.580 -20.211 1.00 71.14 C ATOM 989 CD LYS A 61 -8.256 24.921 -20.818 1.00 0.14 C ATOM 990 CE LYS A 61 -8.196 24.943 -22.337 1.00 64.32 C ATOM 991 NZ LYS A 61 -8.921 26.113 -22.905 1.00 32.24 N ATOM 0 H LYS A 61 -6.968 22.652 -16.696 1.00 32.04 H new ATOM 0 HA LYS A 61 -8.161 22.252 -19.314 1.00 42.32 H new ATOM 0 HB2 LYS A 61 -7.896 24.506 -18.317 1.00 64.43 H new ATOM 0 HB3 LYS A 61 -6.161 24.276 -18.230 1.00 64.43 H new ATOM 0 HG2 LYS A 61 -6.280 25.473 -20.186 1.00 71.14 H new ATOM 0 HG3 LYS A 61 -6.395 23.852 -20.842 1.00 71.14 H new ATOM 0 HD2 LYS A 61 -8.997 24.190 -20.493 1.00 0.14 H new ATOM 0 HD3 LYS A 61 -8.585 25.893 -20.452 1.00 0.14 H new ATOM 0 HE2 LYS A 61 -7.155 24.970 -22.659 1.00 64.32 H new ATOM 0 HE3 LYS A 61 -8.627 24.023 -22.731 1.00 64.32 H new ATOM 0 HZ1 LYS A 61 -8.856 26.091 -23.943 1.00 32.24 H new ATOM 0 HZ2 LYS A 61 -9.920 26.074 -22.620 1.00 32.24 H new ATOM 0 HZ3 LYS A 61 -8.493 26.992 -22.550 1.00 32.24 H new ATOM 1005 N PHE A 62 -5.070 21.455 -18.641 1.00 32.54 N ATOM 1006 CA PHE A 62 -3.885 20.779 -19.157 1.00 12.31 C ATOM 1007 C PHE A 62 -4.244 19.409 -19.725 1.00 0.23 C ATOM 1008 O PHE A 62 -3.730 19.003 -20.766 1.00 4.13 O ATOM 1009 CB PHE A 62 -2.837 20.628 -18.053 1.00 21.33 C ATOM 1010 CG PHE A 62 -1.432 20.875 -18.522 1.00 63.42 C ATOM 1011 CD1 PHE A 62 -0.534 19.827 -18.644 1.00 63.42 C ATOM 1012 CD2 PHE A 62 -1.009 22.155 -18.841 1.00 63.00 C ATOM 1013 CE1 PHE A 62 0.760 20.050 -19.076 1.00 41.33 C ATOM 1014 CE2 PHE A 62 0.284 22.385 -19.274 1.00 75.41 C ATOM 1015 CZ PHE A 62 1.169 21.331 -19.391 1.00 4.33 C ATOM 0 H PHE A 62 -5.053 21.627 -17.636 1.00 32.54 H new ATOM 0 HA PHE A 62 -3.471 21.388 -19.960 1.00 12.31 H new ATOM 0 HB2 PHE A 62 -3.069 21.322 -17.245 1.00 21.33 H new ATOM 0 HB3 PHE A 62 -2.901 19.622 -17.637 1.00 21.33 H new ATOM 0 HD1 PHE A 62 -0.849 18.824 -18.399 1.00 63.42 H new ATOM 0 HD2 PHE A 62 -1.697 22.983 -18.750 1.00 63.00 H new ATOM 0 HE1 PHE A 62 1.450 19.224 -19.167 1.00 41.33 H new ATOM 0 HE2 PHE A 62 0.601 23.387 -19.520 1.00 75.41 H new ATOM 0 HZ PHE A 62 2.180 21.508 -19.728 1.00 4.33 H new ATOM 1025 N ASN A 63 -5.130 18.702 -19.031 1.00 70.54 N ATOM 1026 CA ASN A 63 -5.557 17.376 -19.465 1.00 54.30 C ATOM 1027 C ASN A 63 -6.142 17.427 -20.874 1.00 4.05 C ATOM 1028 O ASN A 63 -6.203 16.413 -21.569 1.00 54.02 O ATOM 1029 CB ASN A 63 -6.592 16.807 -18.492 1.00 10.51 C ATOM 1030 CG ASN A 63 -7.434 15.713 -19.118 1.00 72.21 C ATOM 1031 OD1 ASN A 63 -8.658 15.822 -19.193 1.00 51.02 O ATOM 1032 ND2 ASN A 63 -6.780 14.650 -19.571 1.00 72.53 N ATOM 0 H ASN A 63 -5.566 19.024 -18.167 1.00 70.54 H new ATOM 0 HA ASN A 63 -4.682 16.726 -19.477 1.00 54.30 H new ATOM 0 HB2 ASN A 63 -6.082 16.411 -17.614 1.00 10.51 H new ATOM 0 HB3 ASN A 63 -7.243 17.611 -18.148 1.00 10.51 H new ATOM 0 HD21 ASN A 63 -7.293 13.881 -20.002 1.00 72.53 H new ATOM 0 HD22 ASN A 63 -5.765 14.602 -19.488 1.00 72.53 H new ATOM 1039 N LYS A 64 -6.569 18.615 -21.288 1.00 70.34 N ATOM 1040 CA LYS A 64 -7.147 18.800 -22.614 1.00 43.22 C ATOM 1041 C LYS A 64 -6.057 18.852 -23.680 1.00 61.02 C ATOM 1042 O LYS A 64 -6.226 18.330 -24.782 1.00 74.32 O ATOM 1043 CB LYS A 64 -7.977 20.085 -22.656 1.00 72.10 C ATOM 1044 CG LYS A 64 -9.458 19.845 -22.896 1.00 64.44 C ATOM 1045 CD LYS A 64 -9.707 19.219 -24.258 1.00 61.34 C ATOM 1046 CE LYS A 64 -11.194 19.041 -24.527 1.00 4.54 C ATOM 1047 NZ LYS A 64 -11.814 20.287 -25.057 1.00 1.23 N ATOM 0 H LYS A 64 -6.526 19.464 -20.725 1.00 70.34 H new ATOM 0 HA LYS A 64 -7.795 17.949 -22.823 1.00 43.22 H new ATOM 0 HB2 LYS A 64 -7.852 20.619 -21.714 1.00 72.10 H new ATOM 0 HB3 LYS A 64 -7.590 20.732 -23.443 1.00 72.10 H new ATOM 0 HG2 LYS A 64 -9.853 19.193 -22.117 1.00 64.44 H new ATOM 0 HG3 LYS A 64 -9.997 20.790 -22.825 1.00 64.44 H new ATOM 0 HD2 LYS A 64 -9.269 19.847 -25.034 1.00 61.34 H new ATOM 0 HD3 LYS A 64 -9.208 18.251 -24.311 1.00 61.34 H new ATOM 0 HE2 LYS A 64 -11.340 18.231 -25.241 1.00 4.54 H new ATOM 0 HE3 LYS A 64 -11.697 18.748 -23.606 1.00 4.54 H new ATOM 0 HZ1 LYS A 64 -12.827 20.125 -25.227 1.00 1.23 H new ATOM 0 HZ2 LYS A 64 -11.698 21.054 -24.365 1.00 1.23 H new ATOM 0 HZ3 LYS A 64 -11.351 20.553 -25.949 1.00 1.23 H new ATOM 1061 N LYS A 65 -4.937 19.484 -23.345 1.00 32.21 N ATOM 1062 CA LYS A 65 -3.818 19.602 -24.272 1.00 23.34 C ATOM 1063 C LYS A 65 -2.927 18.365 -24.209 1.00 73.35 C ATOM 1064 O LYS A 65 -2.508 17.839 -25.240 1.00 25.43 O ATOM 1065 CB LYS A 65 -2.995 20.852 -23.953 1.00 43.00 C ATOM 1066 CG LYS A 65 -2.621 20.977 -22.486 1.00 71.21 C ATOM 1067 CD LYS A 65 -1.725 22.179 -22.239 1.00 65.53 C ATOM 1068 CE LYS A 65 -0.254 21.814 -22.374 1.00 30.35 C ATOM 1069 NZ LYS A 65 0.152 21.662 -23.798 1.00 41.22 N ATOM 0 H LYS A 65 -4.780 19.923 -22.438 1.00 32.21 H new ATOM 0 HA LYS A 65 -4.222 19.687 -25.281 1.00 23.34 H new ATOM 0 HB2 LYS A 65 -2.084 20.839 -24.552 1.00 43.00 H new ATOM 0 HB3 LYS A 65 -3.560 21.735 -24.252 1.00 43.00 H new ATOM 0 HG2 LYS A 65 -3.526 21.067 -21.885 1.00 71.21 H new ATOM 0 HG3 LYS A 65 -2.112 20.070 -22.161 1.00 71.21 H new ATOM 0 HD2 LYS A 65 -1.971 22.970 -22.948 1.00 65.53 H new ATOM 0 HD3 LYS A 65 -1.913 22.575 -21.241 1.00 65.53 H new ATOM 0 HE2 LYS A 65 0.356 22.585 -21.903 1.00 30.35 H new ATOM 0 HE3 LYS A 65 -0.060 20.884 -21.840 1.00 30.35 H new ATOM 0 HZ1 LYS A 65 1.150 21.934 -23.905 1.00 41.22 H new ATOM 0 HZ2 LYS A 65 0.030 20.671 -24.090 1.00 41.22 H new ATOM 0 HZ3 LYS A 65 -0.440 22.274 -24.395 1.00 41.22 H new ATOM 1083 N MET A 66 -2.645 17.905 -22.995 1.00 4.11 N ATOM 1084 CA MET A 66 -1.806 16.728 -22.800 1.00 33.12 C ATOM 1085 C MET A 66 -2.568 15.454 -23.150 1.00 71.24 C ATOM 1086 O MET A 66 -1.999 14.362 -23.159 1.00 34.13 O ATOM 1087 CB MET A 66 -1.314 16.660 -21.353 1.00 12.12 C ATOM 1088 CG MET A 66 0.018 17.357 -21.131 1.00 24.03 C ATOM 1089 SD MET A 66 1.421 16.231 -21.259 1.00 12.01 S ATOM 1090 CE MET A 66 2.711 17.356 -21.786 1.00 60.03 C ATOM 0 H MET A 66 -2.985 18.329 -22.132 1.00 4.11 H new ATOM 0 HA MET A 66 -0.946 16.811 -23.465 1.00 33.12 H new ATOM 0 HB2 MET A 66 -2.063 17.110 -20.702 1.00 12.12 H new ATOM 0 HB3 MET A 66 -1.221 15.615 -21.058 1.00 12.12 H new ATOM 0 HG2 MET A 66 0.131 18.157 -21.862 1.00 24.03 H new ATOM 0 HG3 MET A 66 0.020 17.823 -20.146 1.00 24.03 H new ATOM 0 HE1 MET A 66 3.645 16.807 -21.909 1.00 60.03 H new ATOM 0 HE2 MET A 66 2.430 17.812 -22.735 1.00 60.03 H new ATOM 0 HE3 MET A 66 2.844 18.134 -21.035 1.00 60.03 H new ATOM 1100 N ARG A 67 -3.857 15.601 -23.439 1.00 31.32 N ATOM 1101 CA ARG A 67 -4.696 14.461 -23.788 1.00 55.15 C ATOM 1102 C ARG A 67 -4.161 13.752 -25.029 1.00 54.22 C ATOM 1103 O ARG A 67 -4.496 12.597 -25.288 1.00 22.55 O ATOM 1104 CB ARG A 67 -6.137 14.916 -24.029 1.00 41.45 C ATOM 1105 CG ARG A 67 -7.157 14.191 -23.168 1.00 33.22 C ATOM 1106 CD ARG A 67 -7.643 12.914 -23.836 1.00 21.23 C ATOM 1107 NE ARG A 67 -8.544 12.154 -22.973 1.00 63.44 N ATOM 1108 CZ ARG A 67 -8.852 10.877 -23.176 1.00 4.34 C ATOM 1109 NH1 ARG A 67 -8.333 10.222 -24.205 1.00 33.11 N ATOM 1110 NH2 ARG A 67 -9.679 10.254 -22.347 1.00 32.14 N ATOM 0 H ARG A 67 -4.343 16.498 -23.438 1.00 31.32 H new ATOM 0 HA ARG A 67 -4.678 13.760 -22.954 1.00 55.15 H new ATOM 0 HB2 ARG A 67 -6.208 15.987 -23.837 1.00 41.45 H new ATOM 0 HB3 ARG A 67 -6.386 14.763 -25.079 1.00 41.45 H new ATOM 0 HG2 ARG A 67 -6.714 13.951 -22.201 1.00 33.22 H new ATOM 0 HG3 ARG A 67 -8.005 14.848 -22.976 1.00 33.22 H new ATOM 0 HD2 ARG A 67 -8.155 13.163 -24.765 1.00 21.23 H new ATOM 0 HD3 ARG A 67 -6.786 12.295 -24.101 1.00 21.23 H new ATOM 0 HE ARG A 67 -8.959 12.629 -22.171 1.00 63.44 H new ATOM 0 HH11 ARG A 67 -7.696 10.698 -24.843 1.00 33.11 H new ATOM 0 HH12 ARG A 67 -8.571 9.242 -24.358 1.00 33.11 H new ATOM 0 HH21 ARG A 67 -10.079 10.755 -21.553 1.00 32.14 H new ATOM 0 HH22 ARG A 67 -9.915 9.274 -22.503 1.00 32.14 H new ATOM 1124 N GLU A 68 -3.330 14.454 -25.793 1.00 24.31 N ATOM 1125 CA GLU A 68 -2.750 13.891 -27.007 1.00 0.11 C ATOM 1126 C GLU A 68 -1.749 12.789 -26.672 1.00 33.21 C ATOM 1127 O GLU A 68 -1.571 11.842 -27.439 1.00 54.11 O ATOM 1128 CB GLU A 68 -2.064 14.986 -27.826 1.00 42.30 C ATOM 1129 CG GLU A 68 -2.930 15.545 -28.942 1.00 74.12 C ATOM 1130 CD GLU A 68 -2.175 16.501 -29.844 1.00 41.33 C ATOM 1131 OE1 GLU A 68 -2.393 17.725 -29.726 1.00 14.33 O ATOM 1132 OE2 GLU A 68 -1.366 16.027 -30.668 1.00 60.45 O ATOM 0 H GLU A 68 -3.044 15.412 -25.593 1.00 24.31 H new ATOM 0 HA GLU A 68 -3.557 13.457 -27.597 1.00 0.11 H new ATOM 0 HB2 GLU A 68 -1.775 15.799 -27.160 1.00 42.30 H new ATOM 0 HB3 GLU A 68 -1.146 14.585 -28.256 1.00 42.30 H new ATOM 0 HG2 GLU A 68 -3.323 14.722 -29.539 1.00 74.12 H new ATOM 0 HG3 GLU A 68 -3.787 16.061 -28.508 1.00 74.12 H new ATOM 1139 N HIS A 69 -1.097 12.919 -25.521 1.00 15.33 N ATOM 1140 CA HIS A 69 -0.114 11.935 -25.083 1.00 72.11 C ATOM 1141 C HIS A 69 -0.698 11.025 -24.007 1.00 75.41 C ATOM 1142 O HIS A 69 -0.016 10.140 -23.491 1.00 61.43 O ATOM 1143 CB HIS A 69 1.137 12.634 -24.552 1.00 2.35 C ATOM 1144 CG HIS A 69 2.002 13.214 -25.628 1.00 24.20 C ATOM 1145 ND1 HIS A 69 3.043 14.082 -25.372 1.00 34.03 N ATOM 1146 CD2 HIS A 69 1.979 13.044 -26.971 1.00 35.44 C ATOM 1147 CE1 HIS A 69 3.620 14.422 -26.510 1.00 51.22 C ATOM 1148 NE2 HIS A 69 2.993 13.805 -27.496 1.00 4.23 N ATOM 0 H HIS A 69 -1.232 13.697 -24.875 1.00 15.33 H new ATOM 0 HA HIS A 69 0.158 11.323 -25.943 1.00 72.11 H new ATOM 0 HB2 HIS A 69 0.837 13.430 -23.870 1.00 2.35 H new ATOM 0 HB3 HIS A 69 1.723 11.921 -23.971 1.00 2.35 H new ATOM 0 HD2 HIS A 69 1.290 12.424 -27.526 1.00 35.44 H new ATOM 0 HE1 HIS A 69 4.461 15.091 -26.617 1.00 51.22 H new ATOM 0 HE2 HIS A 69 3.225 13.882 -28.486 1.00 4.23 H new ATOM 1156 N SER A 70 -1.965 11.249 -23.673 1.00 12.02 N ATOM 1157 CA SER A 70 -2.640 10.452 -22.655 1.00 1.22 C ATOM 1158 C SER A 70 -2.729 8.990 -23.081 1.00 33.14 C ATOM 1159 O SER A 70 -2.989 8.109 -22.261 1.00 42.25 O ATOM 1160 CB SER A 70 -4.042 11.005 -22.391 1.00 22.25 C ATOM 1161 OG SER A 70 -4.900 10.768 -23.493 1.00 45.14 O ATOM 0 H SER A 70 -2.545 11.976 -24.092 1.00 12.02 H new ATOM 0 HA SER A 70 -2.056 10.510 -21.737 1.00 1.22 H new ATOM 0 HB2 SER A 70 -4.457 10.540 -21.497 1.00 22.25 H new ATOM 0 HB3 SER A 70 -3.983 12.076 -22.196 1.00 22.25 H new ATOM 0 HG SER A 70 -4.765 11.465 -24.168 1.00 45.14 H new ATOM 1167 N GLU A 71 -2.512 8.741 -24.368 1.00 72.43 N ATOM 1168 CA GLU A 71 -2.569 7.385 -24.903 1.00 52.45 C ATOM 1169 C GLU A 71 -1.460 6.520 -24.312 1.00 71.13 C ATOM 1170 O GLU A 71 -1.685 5.365 -23.950 1.00 70.52 O ATOM 1171 CB GLU A 71 -2.453 7.410 -26.429 1.00 52.40 C ATOM 1172 CG GLU A 71 -3.758 7.101 -27.144 1.00 1.22 C ATOM 1173 CD GLU A 71 -3.582 6.956 -28.643 1.00 24.42 C ATOM 1174 OE1 GLU A 71 -4.162 6.012 -29.219 1.00 32.31 O ATOM 1175 OE2 GLU A 71 -2.863 7.785 -29.240 1.00 34.54 O ATOM 0 H GLU A 71 -2.295 9.459 -25.059 1.00 72.43 H new ATOM 0 HA GLU A 71 -3.530 6.952 -24.626 1.00 52.45 H new ATOM 0 HB2 GLU A 71 -2.101 8.393 -26.742 1.00 52.40 H new ATOM 0 HB3 GLU A 71 -1.698 6.687 -26.739 1.00 52.40 H new ATOM 0 HG2 GLU A 71 -4.180 6.180 -26.741 1.00 1.22 H new ATOM 0 HG3 GLU A 71 -4.476 7.896 -26.941 1.00 1.22 H new ATOM 1182 N HIS A 72 -0.262 7.087 -24.218 1.00 65.01 N ATOM 1183 CA HIS A 72 0.884 6.368 -23.671 1.00 54.00 C ATOM 1184 C HIS A 72 0.926 6.490 -22.151 1.00 11.12 C ATOM 1185 O HIS A 72 1.546 5.673 -21.469 1.00 51.42 O ATOM 1186 CB HIS A 72 2.183 6.902 -24.274 1.00 3.24 C ATOM 1187 CG HIS A 72 3.244 5.857 -24.431 1.00 63.04 C ATOM 1188 ND1 HIS A 72 4.052 5.441 -23.394 1.00 14.34 N ATOM 1189 CD2 HIS A 72 3.627 5.141 -25.514 1.00 64.22 C ATOM 1190 CE1 HIS A 72 4.886 4.516 -23.832 1.00 25.04 C ATOM 1191 NE2 HIS A 72 4.649 4.315 -25.115 1.00 65.13 N ATOM 0 H HIS A 72 -0.059 8.042 -24.513 1.00 65.01 H new ATOM 0 HA HIS A 72 0.779 5.315 -23.930 1.00 54.00 H new ATOM 0 HB2 HIS A 72 1.968 7.340 -25.249 1.00 3.24 H new ATOM 0 HB3 HIS A 72 2.565 7.704 -23.642 1.00 3.24 H new ATOM 0 HD2 HIS A 72 3.207 5.207 -26.507 1.00 64.22 H new ATOM 0 HE1 HIS A 72 5.635 4.010 -23.241 1.00 25.04 H new ATOM 0 HE2 HIS A 72 5.144 3.654 -25.713 1.00 65.13 H new ATOM 1199 N PHE A 73 0.264 7.516 -21.626 1.00 35.53 N ATOM 1200 CA PHE A 73 0.227 7.746 -20.186 1.00 60.42 C ATOM 1201 C PHE A 73 -0.776 6.814 -19.512 1.00 23.13 C ATOM 1202 O PHE A 73 -0.470 6.180 -18.502 1.00 21.24 O ATOM 1203 CB PHE A 73 -0.134 9.203 -19.890 1.00 75.41 C ATOM 1204 CG PHE A 73 0.899 10.185 -20.363 1.00 73.45 C ATOM 1205 CD1 PHE A 73 2.250 9.912 -20.221 1.00 74.32 C ATOM 1206 CD2 PHE A 73 0.519 11.381 -20.950 1.00 51.02 C ATOM 1207 CE1 PHE A 73 3.203 10.813 -20.656 1.00 40.11 C ATOM 1208 CE2 PHE A 73 1.468 12.286 -21.387 1.00 73.13 C ATOM 1209 CZ PHE A 73 2.811 12.002 -21.239 1.00 3.20 C ATOM 0 H PHE A 73 -0.254 8.201 -22.176 1.00 35.53 H new ATOM 0 HA PHE A 73 1.218 7.536 -19.784 1.00 60.42 H new ATOM 0 HB2 PHE A 73 -1.088 9.436 -20.363 1.00 75.41 H new ATOM 0 HB3 PHE A 73 -0.273 9.323 -18.816 1.00 75.41 H new ATOM 0 HD1 PHE A 73 2.562 8.984 -19.765 1.00 74.32 H new ATOM 0 HD2 PHE A 73 -0.530 11.609 -21.067 1.00 51.02 H new ATOM 0 HE1 PHE A 73 4.253 10.588 -20.540 1.00 40.11 H new ATOM 0 HE2 PHE A 73 1.159 13.215 -21.844 1.00 73.13 H new ATOM 0 HZ PHE A 73 3.554 12.709 -21.579 1.00 3.20 H new ATOM 1219 N LYS A 74 -1.975 6.737 -20.077 1.00 75.44 N ATOM 1220 CA LYS A 74 -3.025 5.883 -19.533 1.00 62.14 C ATOM 1221 C LYS A 74 -2.539 4.443 -19.398 1.00 54.21 C ATOM 1222 O LYS A 74 -3.077 3.669 -18.607 1.00 30.10 O ATOM 1223 CB LYS A 74 -4.266 5.932 -20.428 1.00 4.02 C ATOM 1224 CG LYS A 74 -5.325 4.910 -20.055 1.00 31.51 C ATOM 1225 CD LYS A 74 -6.726 5.475 -20.213 1.00 54.42 C ATOM 1226 CE LYS A 74 -7.763 4.370 -20.344 1.00 24.31 C ATOM 1227 NZ LYS A 74 -9.152 4.899 -20.264 1.00 50.31 N ATOM 0 H LYS A 74 -2.245 7.256 -20.913 1.00 75.44 H new ATOM 0 HA LYS A 74 -3.285 6.255 -18.542 1.00 62.14 H new ATOM 0 HB2 LYS A 74 -4.702 6.930 -20.376 1.00 4.02 H new ATOM 0 HB3 LYS A 74 -3.964 5.769 -21.463 1.00 4.02 H new ATOM 0 HG2 LYS A 74 -5.216 4.026 -20.683 1.00 31.51 H new ATOM 0 HG3 LYS A 74 -5.175 4.589 -19.024 1.00 31.51 H new ATOM 0 HD2 LYS A 74 -6.966 6.100 -19.353 1.00 54.42 H new ATOM 0 HD3 LYS A 74 -6.763 6.116 -21.094 1.00 54.42 H new ATOM 0 HE2 LYS A 74 -7.625 3.854 -21.294 1.00 24.31 H new ATOM 0 HE3 LYS A 74 -7.609 3.633 -19.556 1.00 24.31 H new ATOM 0 HZ1 LYS A 74 -9.828 4.114 -20.358 1.00 50.31 H new ATOM 0 HZ2 LYS A 74 -9.292 5.369 -19.347 1.00 50.31 H new ATOM 0 HZ3 LYS A 74 -9.308 5.583 -21.031 1.00 50.31 H new ATOM 1241 N ALA A 75 -1.519 4.092 -20.174 1.00 53.11 N ATOM 1242 CA ALA A 75 -0.960 2.747 -20.138 1.00 24.32 C ATOM 1243 C ALA A 75 0.059 2.606 -19.012 1.00 11.04 C ATOM 1244 O ALA A 75 0.239 1.523 -18.454 1.00 74.14 O ATOM 1245 CB ALA A 75 -0.321 2.405 -21.476 1.00 24.44 C ATOM 0 H ALA A 75 -1.063 4.721 -20.835 1.00 53.11 H new ATOM 0 HA ALA A 75 -1.773 2.047 -19.947 1.00 24.32 H new ATOM 0 HB1 ALA A 75 0.093 1.397 -21.435 1.00 24.44 H new ATOM 0 HB2 ALA A 75 -1.074 2.456 -22.262 1.00 24.44 H new ATOM 0 HB3 ALA A 75 0.477 3.116 -21.691 1.00 24.44 H new ATOM 1251 N LYS A 76 0.724 3.708 -18.681 1.00 64.51 N ATOM 1252 CA LYS A 76 1.725 3.708 -17.621 1.00 3.22 C ATOM 1253 C LYS A 76 1.175 3.064 -16.352 1.00 55.43 C ATOM 1254 O LYS A 76 1.914 2.443 -15.588 1.00 54.51 O ATOM 1255 CB LYS A 76 2.182 5.138 -17.323 1.00 14.21 C ATOM 1256 CG LYS A 76 1.338 5.839 -16.272 1.00 5.23 C ATOM 1257 CD LYS A 76 1.531 7.346 -16.316 1.00 74.25 C ATOM 1258 CE LYS A 76 2.962 7.735 -15.979 1.00 54.40 C ATOM 1259 NZ LYS A 76 3.521 8.701 -16.965 1.00 70.45 N ATOM 0 H LYS A 76 0.588 4.613 -19.132 1.00 64.51 H new ATOM 0 HA LYS A 76 2.579 3.123 -17.963 1.00 3.22 H new ATOM 0 HB2 LYS A 76 3.219 5.117 -16.989 1.00 14.21 H new ATOM 0 HB3 LYS A 76 2.155 5.719 -18.245 1.00 14.21 H new ATOM 0 HG2 LYS A 76 0.286 5.601 -16.431 1.00 5.23 H new ATOM 0 HG3 LYS A 76 1.603 5.466 -15.283 1.00 5.23 H new ATOM 0 HD2 LYS A 76 1.276 7.718 -17.308 1.00 74.25 H new ATOM 0 HD3 LYS A 76 0.848 7.822 -15.612 1.00 74.25 H new ATOM 0 HE2 LYS A 76 2.994 8.174 -14.982 1.00 54.40 H new ATOM 0 HE3 LYS A 76 3.585 6.841 -15.953 1.00 54.40 H new ATOM 0 HZ1 LYS A 76 4.030 9.455 -16.462 1.00 70.45 H new ATOM 0 HZ2 LYS A 76 4.177 8.206 -17.602 1.00 70.45 H new ATOM 0 HZ3 LYS A 76 2.747 9.117 -17.520 1.00 70.45 H new ATOM 1273 N PHE A 77 -0.128 3.215 -16.135 1.00 42.31 N ATOM 1274 CA PHE A 77 -0.778 2.648 -14.959 1.00 45.03 C ATOM 1275 C PHE A 77 -0.415 1.175 -14.795 1.00 73.24 C ATOM 1276 O PHE A 77 -0.304 0.673 -13.678 1.00 32.45 O ATOM 1277 CB PHE A 77 -2.296 2.803 -15.065 1.00 71.20 C ATOM 1278 CG PHE A 77 -2.831 3.993 -14.320 1.00 64.43 C ATOM 1279 CD1 PHE A 77 -3.586 3.825 -13.171 1.00 52.11 C ATOM 1280 CD2 PHE A 77 -2.578 5.279 -14.770 1.00 20.41 C ATOM 1281 CE1 PHE A 77 -4.079 4.918 -12.483 1.00 74.22 C ATOM 1282 CE2 PHE A 77 -3.068 6.375 -14.086 1.00 50.10 C ATOM 1283 CZ PHE A 77 -3.821 6.194 -12.942 1.00 3.50 C ATOM 0 H PHE A 77 -0.754 3.725 -16.758 1.00 42.31 H new ATOM 0 HA PHE A 77 -0.425 3.191 -14.082 1.00 45.03 H new ATOM 0 HB2 PHE A 77 -2.572 2.888 -16.116 1.00 71.20 H new ATOM 0 HB3 PHE A 77 -2.773 1.901 -14.683 1.00 71.20 H new ATOM 0 HD1 PHE A 77 -3.792 2.829 -12.808 1.00 52.11 H new ATOM 0 HD2 PHE A 77 -1.992 5.426 -15.665 1.00 20.41 H new ATOM 0 HE1 PHE A 77 -4.665 4.774 -11.588 1.00 74.22 H new ATOM 0 HE2 PHE A 77 -2.862 7.372 -14.445 1.00 50.10 H new ATOM 0 HZ PHE A 77 -4.207 7.049 -12.408 1.00 3.50 H new ATOM 1293 N ALA A 78 -0.233 0.488 -15.919 1.00 11.04 N ATOM 1294 CA ALA A 78 0.118 -0.927 -15.901 1.00 12.45 C ATOM 1295 C ALA A 78 1.510 -1.139 -15.317 1.00 24.42 C ATOM 1296 O ALA A 78 1.747 -2.103 -14.589 1.00 60.01 O ATOM 1297 CB ALA A 78 0.037 -1.508 -17.304 1.00 61.32 C ATOM 0 H ALA A 78 -0.323 0.889 -16.853 1.00 11.04 H new ATOM 0 HA ALA A 78 -0.597 -1.446 -15.263 1.00 12.45 H new ATOM 0 HB1 ALA A 78 0.302 -2.565 -17.276 1.00 61.32 H new ATOM 0 HB2 ALA A 78 -0.978 -1.398 -17.685 1.00 61.32 H new ATOM 0 HB3 ALA A 78 0.730 -0.978 -17.958 1.00 61.32 H new ATOM 1303 N GLU A 79 2.428 -0.234 -15.642 1.00 30.13 N ATOM 1304 CA GLU A 79 3.798 -0.325 -15.150 1.00 33.21 C ATOM 1305 C GLU A 79 3.937 0.366 -13.797 1.00 11.05 C ATOM 1306 O GLU A 79 4.872 0.096 -13.042 1.00 22.12 O ATOM 1307 CB GLU A 79 4.767 0.299 -16.156 1.00 10.22 C ATOM 1308 CG GLU A 79 6.143 0.585 -15.578 1.00 61.44 C ATOM 1309 CD GLU A 79 7.153 0.971 -16.641 1.00 61.25 C ATOM 1310 OE1 GLU A 79 7.185 2.159 -17.025 1.00 74.13 O ATOM 1311 OE2 GLU A 79 7.911 0.086 -17.090 1.00 25.13 O ATOM 0 H GLU A 79 2.248 0.570 -16.243 1.00 30.13 H new ATOM 0 HA GLU A 79 4.043 -1.380 -15.027 1.00 33.21 H new ATOM 0 HB2 GLU A 79 4.873 -0.371 -17.010 1.00 10.22 H new ATOM 0 HB3 GLU A 79 4.339 1.229 -16.531 1.00 10.22 H new ATOM 0 HG2 GLU A 79 6.066 1.389 -14.846 1.00 61.44 H new ATOM 0 HG3 GLU A 79 6.500 -0.297 -15.046 1.00 61.44 H new ATOM 1318 N LEU A 80 3.001 1.259 -13.496 1.00 53.42 N ATOM 1319 CA LEU A 80 3.018 1.991 -12.234 1.00 71.12 C ATOM 1320 C LEU A 80 3.177 1.037 -11.054 1.00 41.43 C ATOM 1321 O LEU A 80 3.994 1.268 -10.161 1.00 53.24 O ATOM 1322 CB LEU A 80 1.733 2.805 -12.077 1.00 13.35 C ATOM 1323 CG LEU A 80 1.664 3.722 -10.854 1.00 65.24 C ATOM 1324 CD1 LEU A 80 0.716 4.883 -11.110 1.00 44.03 C ATOM 1325 CD2 LEU A 80 1.231 2.938 -9.624 1.00 3.42 C ATOM 0 H LEU A 80 2.220 1.494 -14.109 1.00 53.42 H new ATOM 0 HA LEU A 80 3.871 2.669 -12.247 1.00 71.12 H new ATOM 0 HB2 LEU A 80 1.601 3.414 -12.971 1.00 13.35 H new ATOM 0 HB3 LEU A 80 0.891 2.114 -12.036 1.00 13.35 H new ATOM 0 HG LEU A 80 2.659 4.127 -10.670 1.00 65.24 H new ATOM 0 HD11 LEU A 80 0.680 5.524 -10.229 1.00 44.03 H new ATOM 0 HD12 LEU A 80 1.070 5.460 -11.965 1.00 44.03 H new ATOM 0 HD13 LEU A 80 -0.282 4.498 -11.320 1.00 44.03 H new ATOM 0 HD21 LEU A 80 1.187 3.606 -8.764 1.00 3.42 H new ATOM 0 HD22 LEU A 80 0.246 2.504 -9.797 1.00 3.42 H new ATOM 0 HD23 LEU A 80 1.949 2.141 -9.429 1.00 3.42 H new ATOM 1337 N LEU A 81 2.394 -0.035 -11.058 1.00 33.45 N ATOM 1338 CA LEU A 81 2.449 -1.026 -9.988 1.00 70.44 C ATOM 1339 C LEU A 81 3.767 -1.793 -10.024 1.00 60.33 C ATOM 1340 O LEU A 81 4.214 -2.325 -9.009 1.00 2.34 O ATOM 1341 CB LEU A 81 1.276 -2.000 -10.108 1.00 34.50 C ATOM 1342 CG LEU A 81 1.118 -2.699 -11.459 1.00 24.41 C ATOM 1343 CD1 LEU A 81 1.423 -4.184 -11.331 1.00 13.15 C ATOM 1344 CD2 LEU A 81 -0.284 -2.486 -12.010 1.00 30.23 C ATOM 0 H LEU A 81 1.714 -0.241 -11.789 1.00 33.45 H new ATOM 0 HA LEU A 81 2.381 -0.501 -9.035 1.00 70.44 H new ATOM 0 HB2 LEU A 81 1.383 -2.763 -9.337 1.00 34.50 H new ATOM 0 HB3 LEU A 81 0.356 -1.457 -9.893 1.00 34.50 H new ATOM 0 HG LEU A 81 1.831 -2.262 -12.158 1.00 24.41 H new ATOM 0 HD11 LEU A 81 1.305 -4.665 -12.302 1.00 13.15 H new ATOM 0 HD12 LEU A 81 2.447 -4.316 -10.982 1.00 13.15 H new ATOM 0 HD13 LEU A 81 0.735 -4.636 -10.617 1.00 13.15 H new ATOM 0 HD21 LEU A 81 -0.378 -2.991 -12.972 1.00 30.23 H new ATOM 0 HD22 LEU A 81 -1.015 -2.895 -11.313 1.00 30.23 H new ATOM 0 HD23 LEU A 81 -0.465 -1.419 -12.141 1.00 30.23 H new ATOM 1356 N GLU A 82 4.384 -1.844 -11.201 1.00 24.05 N ATOM 1357 CA GLU A 82 5.652 -2.545 -11.367 1.00 43.24 C ATOM 1358 C GLU A 82 6.826 -1.638 -11.010 1.00 23.04 C ATOM 1359 O GLU A 82 7.913 -2.114 -10.683 1.00 2.31 O ATOM 1360 CB GLU A 82 5.799 -3.044 -12.806 1.00 41.13 C ATOM 1361 CG GLU A 82 6.965 -3.998 -13.004 1.00 20.03 C ATOM 1362 CD GLU A 82 6.912 -4.715 -14.339 1.00 24.24 C ATOM 1363 OE1 GLU A 82 7.563 -4.240 -15.293 1.00 12.51 O ATOM 1364 OE2 GLU A 82 6.221 -5.751 -14.429 1.00 64.24 O ATOM 0 H GLU A 82 4.027 -1.409 -12.052 1.00 24.05 H new ATOM 0 HA GLU A 82 5.657 -3.400 -10.691 1.00 43.24 H new ATOM 0 HB2 GLU A 82 4.877 -3.544 -13.104 1.00 41.13 H new ATOM 0 HB3 GLU A 82 5.925 -2.187 -13.468 1.00 41.13 H new ATOM 0 HG2 GLU A 82 7.900 -3.443 -12.931 1.00 20.03 H new ATOM 0 HG3 GLU A 82 6.968 -4.734 -12.200 1.00 20.03 H new ATOM 1371 N GLN A 83 6.598 -0.330 -11.075 1.00 33.41 N ATOM 1372 CA GLN A 83 7.637 0.643 -10.759 1.00 75.13 C ATOM 1373 C GLN A 83 8.317 0.303 -9.437 1.00 42.35 C ATOM 1374 O GLN A 83 9.534 0.126 -9.383 1.00 51.44 O ATOM 1375 CB GLN A 83 7.043 2.051 -10.694 1.00 14.13 C ATOM 1376 CG GLN A 83 8.087 3.155 -10.744 1.00 72.33 C ATOM 1377 CD GLN A 83 8.928 3.221 -9.485 1.00 34.14 C ATOM 1378 OE1 GLN A 83 10.157 3.247 -9.546 1.00 21.44 O ATOM 1379 NE2 GLN A 83 8.267 3.249 -8.333 1.00 4.13 N ATOM 0 H GLN A 83 5.703 0.080 -11.343 1.00 33.41 H new ATOM 0 HA GLN A 83 8.386 0.608 -11.551 1.00 75.13 H new ATOM 0 HB2 GLN A 83 6.348 2.182 -11.524 1.00 14.13 H new ATOM 0 HB3 GLN A 83 6.465 2.150 -9.775 1.00 14.13 H new ATOM 0 HG2 GLN A 83 8.738 2.995 -11.603 1.00 72.33 H new ATOM 0 HG3 GLN A 83 7.590 4.113 -10.895 1.00 72.33 H new ATOM 0 HE21 GLN A 83 7.247 3.226 -8.329 1.00 4.13 H new ATOM 0 HE22 GLN A 83 8.779 3.294 -7.452 1.00 4.13 H new ATOM 1388 N GLN A 84 7.524 0.214 -8.375 1.00 0.43 N ATOM 1389 CA GLN A 84 8.051 -0.103 -7.053 1.00 24.01 C ATOM 1390 C GLN A 84 8.225 -1.609 -6.883 1.00 41.33 C ATOM 1391 O GLN A 84 9.271 -2.077 -6.433 1.00 70.23 O ATOM 1392 CB GLN A 84 7.123 0.441 -5.966 1.00 34.10 C ATOM 1393 CG GLN A 84 7.848 0.848 -4.694 1.00 20.25 C ATOM 1394 CD GLN A 84 8.756 2.045 -4.897 1.00 21.53 C ATOM 1395 OE1 GLN A 84 9.941 2.003 -4.565 1.00 22.32 O ATOM 1396 NE2 GLN A 84 8.204 3.121 -5.445 1.00 61.41 N ATOM 0 H GLN A 84 6.514 0.357 -8.404 1.00 0.43 H new ATOM 0 HA GLN A 84 9.028 0.371 -6.956 1.00 24.01 H new ATOM 0 HB2 GLN A 84 6.584 1.303 -6.359 1.00 34.10 H new ATOM 0 HB3 GLN A 84 6.378 -0.317 -5.723 1.00 34.10 H new ATOM 0 HG2 GLN A 84 7.115 1.080 -3.921 1.00 20.25 H new ATOM 0 HG3 GLN A 84 8.438 0.006 -4.332 1.00 20.25 H new ATOM 0 HE21 GLN A 84 7.218 3.112 -5.705 1.00 61.41 H new ATOM 0 HE22 GLN A 84 8.766 3.957 -5.606 1.00 61.41 H new ATOM 1405 N LYS A 85 7.193 -2.363 -7.246 1.00 10.20 N ATOM 1406 CA LYS A 85 7.230 -3.816 -7.135 1.00 65.23 C ATOM 1407 C LYS A 85 8.522 -4.374 -7.724 1.00 45.40 C ATOM 1408 O LYS A 85 9.053 -5.374 -7.244 1.00 22.12 O ATOM 1409 CB LYS A 85 6.025 -4.434 -7.848 1.00 11.24 C ATOM 1410 CG LYS A 85 4.743 -4.376 -7.035 1.00 50.20 C ATOM 1411 CD LYS A 85 4.618 -5.571 -6.105 1.00 54.01 C ATOM 1412 CE LYS A 85 4.438 -5.136 -4.659 1.00 2.41 C ATOM 1413 NZ LYS A 85 3.171 -4.378 -4.461 1.00 23.44 N ATOM 0 H LYS A 85 6.320 -1.991 -7.620 1.00 10.20 H new ATOM 0 HA LYS A 85 7.191 -4.075 -6.077 1.00 65.23 H new ATOM 0 HB2 LYS A 85 5.869 -3.917 -8.795 1.00 11.24 H new ATOM 0 HB3 LYS A 85 6.248 -5.474 -8.086 1.00 11.24 H new ATOM 0 HG2 LYS A 85 4.723 -3.456 -6.451 1.00 50.20 H new ATOM 0 HG3 LYS A 85 3.886 -4.346 -7.707 1.00 50.20 H new ATOM 0 HD2 LYS A 85 3.769 -6.183 -6.410 1.00 54.01 H new ATOM 0 HD3 LYS A 85 5.508 -6.194 -6.190 1.00 54.01 H new ATOM 0 HE2 LYS A 85 4.441 -6.014 -4.013 1.00 2.41 H new ATOM 0 HE3 LYS A 85 5.283 -4.516 -4.358 1.00 2.41 H new ATOM 0 HZ1 LYS A 85 2.948 -4.334 -3.446 1.00 23.44 H new ATOM 0 HZ2 LYS A 85 3.282 -3.413 -4.833 1.00 23.44 H new ATOM 0 HZ3 LYS A 85 2.398 -4.857 -4.965 1.00 23.44 H new ATOM 1427 N ASN A 86 9.024 -3.718 -8.766 1.00 32.11 N ATOM 1428 CA ASN A 86 10.255 -4.148 -9.419 1.00 73.33 C ATOM 1429 C ASN A 86 11.464 -3.433 -8.825 1.00 64.13 C ATOM 1430 O ASN A 86 12.556 -3.997 -8.749 1.00 14.05 O ATOM 1431 CB ASN A 86 10.178 -3.881 -10.924 1.00 22.11 C ATOM 1432 CG ASN A 86 11.083 -4.801 -11.721 1.00 51.20 C ATOM 1433 OD1 ASN A 86 11.662 -5.743 -11.179 1.00 51.44 O ATOM 1434 ND2 ASN A 86 11.209 -4.531 -13.015 1.00 54.32 N ATOM 0 H ASN A 86 8.597 -2.887 -9.176 1.00 32.11 H new ATOM 0 HA ASN A 86 10.371 -5.219 -9.252 1.00 73.33 H new ATOM 0 HB2 ASN A 86 9.149 -4.007 -11.261 1.00 22.11 H new ATOM 0 HB3 ASN A 86 10.453 -2.845 -11.121 1.00 22.11 H new ATOM 0 HD21 ASN A 86 11.805 -5.115 -13.602 1.00 54.32 H new ATOM 0 HD22 ASN A 86 10.710 -3.740 -13.422 1.00 54.32 H new ATOM 1441 N ALA A 87 11.262 -2.188 -8.406 1.00 61.31 N ATOM 1442 CA ALA A 87 12.335 -1.397 -7.817 1.00 12.14 C ATOM 1443 C ALA A 87 12.879 -2.062 -6.557 1.00 64.11 C ATOM 1444 O ALA A 87 14.042 -1.874 -6.199 1.00 34.13 O ATOM 1445 CB ALA A 87 11.843 0.008 -7.503 1.00 51.30 C ATOM 0 H ALA A 87 10.365 -1.706 -8.464 1.00 61.31 H new ATOM 0 HA ALA A 87 13.146 -1.333 -8.542 1.00 12.14 H new ATOM 0 HB1 ALA A 87 12.655 0.588 -7.064 1.00 51.30 H new ATOM 0 HB2 ALA A 87 11.508 0.490 -8.422 1.00 51.30 H new ATOM 0 HB3 ALA A 87 11.013 -0.046 -6.799 1.00 51.30 H new ATOM 1451 N GLN A 88 12.032 -2.839 -5.890 1.00 60.01 N ATOM 1452 CA GLN A 88 12.429 -3.531 -4.669 1.00 44.45 C ATOM 1453 C GLN A 88 12.464 -5.040 -4.886 1.00 4.13 C ATOM 1454 O GLN A 88 12.190 -5.815 -3.970 1.00 35.24 O ATOM 1455 CB GLN A 88 11.469 -3.189 -3.529 1.00 1.01 C ATOM 1456 CG GLN A 88 12.157 -3.020 -2.184 1.00 43.21 C ATOM 1457 CD GLN A 88 11.249 -2.406 -1.137 1.00 21.53 C ATOM 1458 OE1 GLN A 88 10.752 -1.293 -1.305 1.00 53.31 O ATOM 1459 NE2 GLN A 88 11.027 -3.132 -0.047 1.00 4.02 N ATOM 0 H GLN A 88 11.067 -3.005 -6.174 1.00 60.01 H new ATOM 0 HA GLN A 88 13.432 -3.198 -4.402 1.00 44.45 H new ATOM 0 HB2 GLN A 88 10.939 -2.269 -3.775 1.00 1.01 H new ATOM 0 HB3 GLN A 88 10.719 -3.976 -3.448 1.00 1.01 H new ATOM 0 HG2 GLN A 88 12.504 -3.992 -1.833 1.00 43.21 H new ATOM 0 HG3 GLN A 88 13.039 -2.392 -2.308 1.00 43.21 H new ATOM 0 HE21 GLN A 88 11.460 -4.050 0.051 1.00 4.02 H new ATOM 0 HE22 GLN A 88 10.424 -2.771 0.692 1.00 4.02 H new ATOM 1468 N PHE A 89 12.804 -5.450 -6.103 1.00 71.52 N ATOM 1469 CA PHE A 89 12.873 -6.868 -6.440 1.00 45.53 C ATOM 1470 C PHE A 89 13.529 -7.071 -7.803 1.00 52.32 C ATOM 1471 O PHE A 89 12.882 -7.445 -8.782 1.00 10.03 O ATOM 1472 CB PHE A 89 11.473 -7.483 -6.438 1.00 72.44 C ATOM 1473 CG PHE A 89 11.464 -8.953 -6.127 1.00 4.31 C ATOM 1474 CD1 PHE A 89 11.388 -9.396 -4.816 1.00 61.15 C ATOM 1475 CD2 PHE A 89 11.533 -9.890 -7.145 1.00 24.44 C ATOM 1476 CE1 PHE A 89 11.380 -10.748 -4.526 1.00 53.53 C ATOM 1477 CE2 PHE A 89 11.525 -11.243 -6.861 1.00 10.04 C ATOM 1478 CZ PHE A 89 11.449 -11.672 -5.550 1.00 23.11 C ATOM 0 H PHE A 89 13.036 -4.822 -6.872 1.00 71.52 H new ATOM 0 HA PHE A 89 13.482 -7.367 -5.686 1.00 45.53 H new ATOM 0 HB2 PHE A 89 10.857 -6.961 -5.706 1.00 72.44 H new ATOM 0 HB3 PHE A 89 11.013 -7.323 -7.413 1.00 72.44 H new ATOM 0 HD1 PHE A 89 11.334 -8.677 -4.012 1.00 61.15 H new ATOM 0 HD2 PHE A 89 11.594 -9.560 -8.172 1.00 24.44 H new ATOM 0 HE1 PHE A 89 11.320 -11.081 -3.500 1.00 53.53 H new ATOM 0 HE2 PHE A 89 11.578 -11.964 -7.663 1.00 10.04 H new ATOM 0 HZ PHE A 89 11.444 -12.729 -5.326 1.00 23.11 H new ATOM 1488 N PRO A 90 14.844 -6.818 -7.870 1.00 43.22 N ATOM 1489 CA PRO A 90 15.617 -6.966 -9.107 1.00 51.22 C ATOM 1490 C PRO A 90 15.777 -8.425 -9.520 1.00 31.03 C ATOM 1491 O PRO A 90 16.479 -9.193 -8.863 1.00 14.45 O ATOM 1492 CB PRO A 90 16.976 -6.359 -8.751 1.00 42.52 C ATOM 1493 CG PRO A 90 17.080 -6.503 -7.272 1.00 62.52 C ATOM 1494 CD PRO A 90 15.679 -6.368 -6.743 1.00 70.54 C ATOM 0 HA PRO A 90 15.128 -6.484 -9.953 1.00 51.22 H new ATOM 0 HB2 PRO A 90 17.788 -6.881 -9.258 1.00 42.52 H new ATOM 0 HB3 PRO A 90 17.033 -5.313 -9.052 1.00 42.52 H new ATOM 0 HG2 PRO A 90 17.507 -7.469 -7.003 1.00 62.52 H new ATOM 0 HG3 PRO A 90 17.732 -5.738 -6.850 1.00 62.52 H new ATOM 0 HD2 PRO A 90 15.523 -6.983 -5.857 1.00 70.54 H new ATOM 0 HD3 PRO A 90 15.453 -5.340 -6.461 1.00 70.54 H new ATOM 1502 N GLY A 91 15.121 -8.802 -10.614 1.00 3.45 N ATOM 1503 CA GLY A 91 15.205 -10.168 -11.095 1.00 34.23 C ATOM 1504 C GLY A 91 14.985 -10.270 -12.591 1.00 62.31 C ATOM 1505 O GLY A 91 15.922 -10.525 -13.348 1.00 4.20 O ATOM 0 H GLY A 91 14.533 -8.185 -11.175 1.00 3.45 H new ATOM 0 HA2 GLY A 91 16.184 -10.578 -10.846 1.00 34.23 H new ATOM 0 HA3 GLY A 91 14.463 -10.778 -10.579 1.00 34.23 H new ATOM 1509 N LYS A 92 13.743 -10.073 -13.020 1.00 63.12 N ATOM 1510 CA LYS A 92 13.402 -10.144 -14.436 1.00 20.50 C ATOM 1511 C LYS A 92 13.877 -8.897 -15.174 1.00 0.23 C ATOM 1512 O LYS A 92 13.830 -7.790 -14.636 1.00 25.23 O ATOM 1513 CB LYS A 92 11.890 -10.308 -14.610 1.00 24.13 C ATOM 1514 CG LYS A 92 11.085 -9.147 -14.053 1.00 51.12 C ATOM 1515 CD LYS A 92 9.676 -9.123 -14.621 1.00 13.11 C ATOM 1516 CE LYS A 92 8.693 -9.832 -13.702 1.00 74.12 C ATOM 1517 NZ LYS A 92 7.287 -9.674 -14.166 1.00 55.13 N ATOM 0 H LYS A 92 12.955 -9.863 -12.407 1.00 63.12 H new ATOM 0 HA LYS A 92 13.907 -11.011 -14.862 1.00 20.50 H new ATOM 0 HB2 LYS A 92 11.665 -10.420 -15.671 1.00 24.13 H new ATOM 0 HB3 LYS A 92 11.574 -11.228 -14.118 1.00 24.13 H new ATOM 0 HG2 LYS A 92 11.039 -9.223 -12.967 1.00 51.12 H new ATOM 0 HG3 LYS A 92 11.588 -8.209 -14.286 1.00 51.12 H new ATOM 0 HD2 LYS A 92 9.359 -8.090 -14.767 1.00 13.11 H new ATOM 0 HD3 LYS A 92 9.669 -9.601 -15.601 1.00 13.11 H new ATOM 0 HE2 LYS A 92 8.942 -10.892 -13.652 1.00 74.12 H new ATOM 0 HE3 LYS A 92 8.789 -9.434 -12.692 1.00 74.12 H new ATOM 0 HZ1 LYS A 92 6.648 -10.171 -13.513 1.00 55.13 H new ATOM 0 HZ2 LYS A 92 7.041 -8.664 -14.189 1.00 55.13 H new ATOM 0 HZ3 LYS A 92 7.189 -10.076 -15.120 1.00 55.13 H new TER 1531 LYS A 92