USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=12 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 23 MET CE :methyl -121:sc= -2.44! (180deg=-5.33!) USER MOD Set 1.2: A 26 GLN : amide:sc= 0 X(o=-2.4,f=-2.8) USER MOD Set 2.1: A 1 MET N :NH3+ 180:sc= -0.961 (180deg=-0.142) USER MOD Set 2.2: A 84 GLN : amide:sc= -3.14 K(o=-4.1,f=0.08) USER MOD Single : A 1 MET CE :methyl 173:sc= -0.577 (180deg=-0.929) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 175:sc= 0.885 USER MOD Single : A 5 TYR OH : rot -80:sc= -1.72 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 27 ASN : amide:sc= -0.0165 X(o=-0.016,f=-0.37) 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 -20:sc= 0.774 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0269 USER MOD Single : A 44 MET CE :methyl -172:sc= -3.98! (180deg=-4.21!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 40:sc= -0.112 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=-0.38) USER MOD Single : A 58 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.6) USER MOD Single : A 59 THR OG1 : rot 170:sc= -0.24 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -3.7 K(o=-3.7,f=-9!) 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 -137:sc= -0.0826 (180deg=-1.74) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot -36:sc= 0.749 USER MOD Single : A 72 HIS : no HD1:sc= -0.125 X(o=-0.12,f=-0.38) 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= -2.15 X(o=-2.1,f=-2.4) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.381 -1.636 -3.238 1.00 40.42 N ATOM 2 CA MET A 1 1.700 -1.715 -4.525 1.00 74.21 C ATOM 3 C MET A 1 1.169 -0.348 -4.945 1.00 33.04 C ATOM 4 O MET A 1 1.208 0.009 -6.122 1.00 32.34 O ATOM 5 CB MET A 1 0.550 -2.722 -4.456 1.00 61.43 C ATOM 6 CG MET A 1 1.013 -4.167 -4.354 1.00 40.33 C ATOM 7 SD MET A 1 0.834 -4.838 -2.690 1.00 42.43 S ATOM 8 CE MET A 1 1.647 -6.423 -2.875 1.00 44.31 C ATOM 0 H1 MET A 1 2.733 -2.578 -2.973 1.00 40.42 H new ATOM 0 H2 MET A 1 3.180 -0.974 -3.308 1.00 40.42 H new ATOM 0 H3 MET A 1 1.716 -1.299 -2.513 1.00 40.42 H new ATOM 0 HA MET A 1 2.422 -2.049 -5.270 1.00 74.21 H new ATOM 0 HB2 MET A 1 -0.076 -2.488 -3.595 1.00 61.43 H new ATOM 0 HB3 MET A 1 -0.074 -2.611 -5.343 1.00 61.43 H new ATOM 0 HG2 MET A 1 0.440 -4.778 -5.052 1.00 40.33 H new ATOM 0 HG3 MET A 1 2.058 -4.232 -4.657 1.00 40.33 H new ATOM 0 HE1 MET A 1 1.729 -6.906 -1.901 1.00 44.31 H new ATOM 0 HE2 MET A 1 1.064 -7.055 -3.545 1.00 44.31 H new ATOM 0 HE3 MET A 1 2.643 -6.274 -3.291 1.00 44.31 H new ATOM 18 N ALA A 2 0.673 0.412 -3.974 1.00 52.41 N ATOM 19 CA ALA A 2 0.136 1.741 -4.243 1.00 71.41 C ATOM 20 C ALA A 2 1.248 2.783 -4.289 1.00 53.20 C ATOM 21 O ALA A 2 1.081 3.860 -4.863 1.00 13.12 O ATOM 22 CB ALA A 2 -0.898 2.115 -3.192 1.00 31.25 C ATOM 0 H ALA A 2 0.632 0.131 -2.994 1.00 52.41 H new ATOM 0 HA ALA A 2 -0.347 1.720 -5.220 1.00 71.41 H new ATOM 0 HB1 ALA A 2 -1.290 3.109 -3.405 1.00 31.25 H new ATOM 0 HB2 ALA A 2 -1.713 1.392 -3.210 1.00 31.25 H new ATOM 0 HB3 ALA A 2 -0.432 2.112 -2.206 1.00 31.25 H new ATOM 28 N THR A 3 2.384 2.458 -3.680 1.00 72.52 N ATOM 29 CA THR A 3 3.523 3.366 -3.650 1.00 54.50 C ATOM 30 C THR A 3 3.872 3.857 -5.050 1.00 54.34 C ATOM 31 O THR A 3 4.177 5.034 -5.250 1.00 22.52 O ATOM 32 CB THR A 3 4.762 2.694 -3.030 1.00 61.24 C ATOM 33 OG1 THR A 3 4.735 2.835 -1.606 1.00 5.23 O ATOM 34 CG2 THR A 3 6.042 3.304 -3.582 1.00 13.31 C ATOM 0 H THR A 3 2.539 1.571 -3.200 1.00 72.52 H new ATOM 0 HA THR A 3 3.233 4.216 -3.032 1.00 54.50 H new ATOM 0 HB THR A 3 4.742 1.636 -3.290 1.00 61.24 H new ATOM 0 HG1 THR A 3 5.525 2.403 -1.219 1.00 5.23 H new ATOM 0 HG21 THR A 3 6.904 2.813 -3.129 1.00 13.31 H new ATOM 0 HG22 THR A 3 6.073 3.168 -4.663 1.00 13.31 H new ATOM 0 HG23 THR A 3 6.067 4.369 -3.350 1.00 13.31 H new ATOM 42 N THR A 4 3.824 2.949 -6.020 1.00 71.10 N ATOM 43 CA THR A 4 4.135 3.289 -7.402 1.00 45.44 C ATOM 44 C THR A 4 3.334 4.501 -7.864 1.00 73.24 C ATOM 45 O THR A 4 3.713 5.181 -8.818 1.00 55.11 O ATOM 46 CB THR A 4 3.851 2.108 -8.350 1.00 4.44 C ATOM 47 OG1 THR A 4 3.123 1.089 -7.657 1.00 34.03 O ATOM 48 CG2 THR A 4 5.148 1.529 -8.896 1.00 55.55 C ATOM 0 H THR A 4 3.572 1.972 -5.873 1.00 71.10 H new ATOM 0 HA THR A 4 5.199 3.525 -7.437 1.00 45.44 H new ATOM 0 HB THR A 4 3.255 2.476 -9.186 1.00 4.44 H new ATOM 0 HG1 THR A 4 2.873 0.380 -8.286 1.00 34.03 H new ATOM 0 HG21 THR A 4 4.923 0.697 -9.563 1.00 55.55 H new ATOM 0 HG22 THR A 4 5.687 2.300 -9.447 1.00 55.55 H new ATOM 0 HG23 THR A 4 5.765 1.175 -8.070 1.00 55.55 H new ATOM 56 N TYR A 5 2.225 4.765 -7.183 1.00 11.35 N ATOM 57 CA TYR A 5 1.368 5.895 -7.525 1.00 24.44 C ATOM 58 C TYR A 5 1.832 7.164 -6.816 1.00 74.12 C ATOM 59 O TYR A 5 1.882 8.238 -7.415 1.00 30.14 O ATOM 60 CB TYR A 5 -0.084 5.591 -7.153 1.00 51.10 C ATOM 61 CG TYR A 5 -0.563 4.241 -7.637 1.00 54.20 C ATOM 62 CD1 TYR A 5 -0.194 3.758 -8.886 1.00 63.03 C ATOM 63 CD2 TYR A 5 -1.387 3.450 -6.846 1.00 23.40 C ATOM 64 CE1 TYR A 5 -0.630 2.526 -9.333 1.00 63.42 C ATOM 65 CE2 TYR A 5 -1.826 2.215 -7.284 1.00 12.40 C ATOM 66 CZ TYR A 5 -1.445 1.758 -8.528 1.00 73.12 C ATOM 67 OH TYR A 5 -1.882 0.530 -8.969 1.00 33.32 O ATOM 0 H TYR A 5 1.898 4.212 -6.391 1.00 11.35 H new ATOM 0 HA TYR A 5 1.434 6.057 -8.601 1.00 24.44 H new ATOM 0 HB2 TYR A 5 -0.190 5.638 -6.069 1.00 51.10 H new ATOM 0 HB3 TYR A 5 -0.727 6.366 -7.570 1.00 51.10 H new ATOM 0 HD1 TYR A 5 0.445 4.356 -9.519 1.00 63.03 H new ATOM 0 HD2 TYR A 5 -1.690 3.806 -5.872 1.00 23.40 H new ATOM 0 HE1 TYR A 5 -0.334 2.166 -10.307 1.00 63.42 H new ATOM 0 HE2 TYR A 5 -2.464 1.611 -6.656 1.00 12.40 H new ATOM 0 HH TYR A 5 -2.640 0.652 -9.578 1.00 33.32 H new ATOM 77 N GLU A 6 2.170 7.030 -5.537 1.00 54.44 N ATOM 78 CA GLU A 6 2.629 8.166 -4.747 1.00 13.33 C ATOM 79 C GLU A 6 3.893 8.773 -5.349 1.00 52.01 C ATOM 80 O GLU A 6 4.205 9.940 -5.115 1.00 40.03 O ATOM 81 CB GLU A 6 2.894 7.737 -3.302 1.00 63.34 C ATOM 82 CG GLU A 6 2.072 8.501 -2.279 1.00 13.31 C ATOM 83 CD GLU A 6 2.933 9.265 -1.291 1.00 74.23 C ATOM 84 OE1 GLU A 6 2.541 9.353 -0.109 1.00 22.05 O ATOM 85 OE2 GLU A 6 3.997 9.774 -1.701 1.00 13.04 O ATOM 0 H GLU A 6 2.135 6.147 -5.027 1.00 54.44 H new ATOM 0 HA GLU A 6 1.844 8.922 -4.756 1.00 13.33 H new ATOM 0 HB2 GLU A 6 2.682 6.672 -3.204 1.00 63.34 H new ATOM 0 HB3 GLU A 6 3.952 7.873 -3.080 1.00 63.34 H new ATOM 0 HG2 GLU A 6 1.413 9.198 -2.796 1.00 13.31 H new ATOM 0 HG3 GLU A 6 1.435 7.803 -1.736 1.00 13.31 H new ATOM 92 N GLU A 7 4.616 7.971 -6.125 1.00 15.02 N ATOM 93 CA GLU A 7 5.846 8.429 -6.759 1.00 61.42 C ATOM 94 C GLU A 7 5.556 9.055 -8.120 1.00 63.44 C ATOM 95 O GLU A 7 6.183 10.040 -8.509 1.00 45.12 O ATOM 96 CB GLU A 7 6.827 7.265 -6.919 1.00 72.02 C ATOM 97 CG GLU A 7 8.278 7.702 -7.022 1.00 44.12 C ATOM 98 CD GLU A 7 9.122 6.738 -7.833 1.00 70.21 C ATOM 99 OE1 GLU A 7 9.900 5.975 -7.224 1.00 24.53 O ATOM 100 OE2 GLU A 7 9.004 6.746 -9.076 1.00 42.22 O ATOM 0 H GLU A 7 4.371 7.002 -6.329 1.00 15.02 H new ATOM 0 HA GLU A 7 6.295 9.188 -6.118 1.00 61.42 H new ATOM 0 HB2 GLU A 7 6.719 6.590 -6.070 1.00 72.02 H new ATOM 0 HB3 GLU A 7 6.563 6.698 -7.812 1.00 72.02 H new ATOM 0 HG2 GLU A 7 8.324 8.691 -7.478 1.00 44.12 H new ATOM 0 HG3 GLU A 7 8.698 7.793 -6.020 1.00 44.12 H new ATOM 107 N PHE A 8 4.602 8.475 -8.841 1.00 31.54 N ATOM 108 CA PHE A 8 4.229 8.974 -10.159 1.00 61.41 C ATOM 109 C PHE A 8 3.442 10.276 -10.045 1.00 44.13 C ATOM 110 O PHE A 8 3.647 11.207 -10.823 1.00 51.24 O ATOM 111 CB PHE A 8 3.400 7.928 -10.908 1.00 64.10 C ATOM 112 CG PHE A 8 4.176 7.192 -11.963 1.00 54.24 C ATOM 113 CD1 PHE A 8 5.416 6.646 -11.676 1.00 61.11 C ATOM 114 CD2 PHE A 8 3.664 7.047 -13.243 1.00 1.51 C ATOM 115 CE1 PHE A 8 6.132 5.968 -12.645 1.00 30.11 C ATOM 116 CE2 PHE A 8 4.375 6.370 -14.216 1.00 1.35 C ATOM 117 CZ PHE A 8 5.611 5.831 -13.917 1.00 20.14 C ATOM 0 H PHE A 8 4.073 7.659 -8.534 1.00 31.54 H new ATOM 0 HA PHE A 8 5.144 9.171 -10.718 1.00 61.41 H new ATOM 0 HB2 PHE A 8 3.004 7.209 -10.191 1.00 64.10 H new ATOM 0 HB3 PHE A 8 2.545 8.419 -11.373 1.00 64.10 H new ATOM 0 HD1 PHE A 8 5.829 6.751 -10.683 1.00 61.11 H new ATOM 0 HD2 PHE A 8 2.699 7.468 -13.483 1.00 1.51 H new ATOM 0 HE1 PHE A 8 7.097 5.546 -12.408 1.00 30.11 H new ATOM 0 HE2 PHE A 8 3.964 6.263 -15.209 1.00 1.35 H new ATOM 0 HZ PHE A 8 6.169 5.303 -14.676 1.00 20.14 H new ATOM 127 N ALA A 9 2.541 10.333 -9.070 1.00 24.21 N ATOM 128 CA ALA A 9 1.725 11.520 -8.852 1.00 52.45 C ATOM 129 C ALA A 9 2.595 12.743 -8.581 1.00 71.12 C ATOM 130 O ALA A 9 2.146 13.880 -8.723 1.00 32.25 O ATOM 131 CB ALA A 9 0.758 11.292 -7.700 1.00 52.22 C ATOM 0 H ALA A 9 2.358 9.570 -8.418 1.00 24.21 H new ATOM 0 HA ALA A 9 1.153 11.708 -9.760 1.00 52.45 H new ATOM 0 HB1 ALA A 9 0.155 12.187 -7.549 1.00 52.22 H new ATOM 0 HB2 ALA A 9 0.106 10.450 -7.933 1.00 52.22 H new ATOM 0 HB3 ALA A 9 1.319 11.075 -6.791 1.00 52.22 H new ATOM 137 N ALA A 10 3.842 12.501 -8.190 1.00 72.11 N ATOM 138 CA ALA A 10 4.775 13.582 -7.900 1.00 40.53 C ATOM 139 C ALA A 10 5.293 14.219 -9.185 1.00 44.42 C ATOM 140 O ALA A 10 5.429 15.440 -9.275 1.00 32.20 O ATOM 141 CB ALA A 10 5.934 13.068 -7.059 1.00 12.41 C ATOM 0 H ALA A 10 4.229 11.565 -8.067 1.00 72.11 H new ATOM 0 HA ALA A 10 4.242 14.347 -7.335 1.00 40.53 H new ATOM 0 HB1 ALA A 10 6.623 13.886 -6.850 1.00 12.41 H new ATOM 0 HB2 ALA A 10 5.552 12.666 -6.120 1.00 12.41 H new ATOM 0 HB3 ALA A 10 6.458 12.282 -7.603 1.00 12.41 H new ATOM 147 N LYS A 11 5.583 13.386 -10.178 1.00 60.53 N ATOM 148 CA LYS A 11 6.086 13.866 -11.459 1.00 44.35 C ATOM 149 C LYS A 11 4.939 14.150 -12.423 1.00 74.12 C ATOM 150 O LYS A 11 5.075 14.952 -13.348 1.00 14.42 O ATOM 151 CB LYS A 11 7.040 12.839 -12.074 1.00 2.31 C ATOM 152 CG LYS A 11 8.320 13.448 -12.621 1.00 12.35 C ATOM 153 CD LYS A 11 8.079 14.156 -13.943 1.00 45.43 C ATOM 154 CE LYS A 11 9.096 13.735 -14.994 1.00 11.34 C ATOM 155 NZ LYS A 11 8.586 13.949 -16.376 1.00 74.42 N ATOM 0 H LYS A 11 5.478 12.373 -10.120 1.00 60.53 H new ATOM 0 HA LYS A 11 6.627 14.795 -11.282 1.00 44.35 H new ATOM 0 HB2 LYS A 11 7.295 12.095 -11.319 1.00 2.31 H new ATOM 0 HB3 LYS A 11 6.525 12.313 -12.878 1.00 2.31 H new ATOM 0 HG2 LYS A 11 8.726 14.155 -11.897 1.00 12.35 H new ATOM 0 HG3 LYS A 11 9.067 12.666 -12.757 1.00 12.35 H new ATOM 0 HD2 LYS A 11 7.073 13.933 -14.298 1.00 45.43 H new ATOM 0 HD3 LYS A 11 8.133 15.235 -13.795 1.00 45.43 H new ATOM 0 HE2 LYS A 11 10.017 14.301 -14.855 1.00 11.34 H new ATOM 0 HE3 LYS A 11 9.345 12.683 -14.858 1.00 11.34 H new ATOM 0 HZ1 LYS A 11 9.308 13.650 -17.063 1.00 74.42 H new ATOM 0 HZ2 LYS A 11 7.721 13.389 -16.517 1.00 74.42 H new ATOM 0 HZ3 LYS A 11 8.373 14.957 -16.515 1.00 74.42 H new ATOM 169 N LEU A 12 3.808 13.488 -12.201 1.00 3.32 N ATOM 170 CA LEU A 12 2.635 13.671 -13.049 1.00 25.31 C ATOM 171 C LEU A 12 1.859 14.919 -12.643 1.00 34.01 C ATOM 172 O LEU A 12 1.122 15.492 -13.446 1.00 3.53 O ATOM 173 CB LEU A 12 1.727 12.442 -12.968 1.00 44.33 C ATOM 174 CG LEU A 12 1.957 11.367 -14.030 1.00 65.35 C ATOM 175 CD1 LEU A 12 2.252 10.025 -13.377 1.00 15.31 C ATOM 176 CD2 LEU A 12 0.751 11.260 -14.952 1.00 11.14 C ATOM 0 H LEU A 12 3.679 12.820 -11.441 1.00 3.32 H new ATOM 0 HA LEU A 12 2.976 13.797 -14.077 1.00 25.31 H new ATOM 0 HB2 LEU A 12 1.852 11.987 -11.986 1.00 44.33 H new ATOM 0 HB3 LEU A 12 0.691 12.775 -13.035 1.00 44.33 H new ATOM 0 HG LEU A 12 2.822 11.655 -14.628 1.00 65.35 H new ATOM 0 HD11 LEU A 12 2.413 9.272 -14.149 1.00 15.31 H new ATOM 0 HD12 LEU A 12 3.147 10.109 -12.760 1.00 15.31 H new ATOM 0 HD13 LEU A 12 1.408 9.730 -12.753 1.00 15.31 H new ATOM 0 HD21 LEU A 12 0.933 10.490 -15.701 1.00 11.14 H new ATOM 0 HD22 LEU A 12 -0.131 10.997 -14.368 1.00 11.14 H new ATOM 0 HD23 LEU A 12 0.586 12.217 -15.448 1.00 11.14 H new ATOM 188 N ASP A 13 2.030 15.335 -11.393 1.00 53.31 N ATOM 189 CA ASP A 13 1.347 16.518 -10.881 1.00 62.00 C ATOM 190 C ASP A 13 1.737 17.758 -11.679 1.00 54.32 C ATOM 191 O ASP A 13 1.083 18.798 -11.588 1.00 23.23 O ATOM 192 CB ASP A 13 1.678 16.724 -9.402 1.00 20.51 C ATOM 193 CG ASP A 13 0.514 16.376 -8.495 1.00 23.23 C ATOM 194 OD1 ASP A 13 -0.620 16.804 -8.794 1.00 13.44 O ATOM 195 OD2 ASP A 13 0.738 15.674 -7.486 1.00 53.42 O ATOM 0 H ASP A 13 2.635 14.871 -10.716 1.00 53.31 H new ATOM 0 HA ASP A 13 0.273 16.362 -10.987 1.00 62.00 H new ATOM 0 HB2 ASP A 13 2.538 16.110 -9.136 1.00 20.51 H new ATOM 0 HB3 ASP A 13 1.965 17.763 -9.238 1.00 20.51 H new ATOM 200 N ARG A 14 2.805 17.641 -12.461 1.00 2.53 N ATOM 201 CA ARG A 14 3.283 18.754 -13.273 1.00 71.20 C ATOM 202 C ARG A 14 2.847 18.592 -14.726 1.00 53.43 C ATOM 203 O ARG A 14 3.125 19.448 -15.568 1.00 62.40 O ATOM 204 CB ARG A 14 4.808 18.852 -13.195 1.00 14.31 C ATOM 205 CG ARG A 14 5.301 20.061 -12.416 1.00 33.31 C ATOM 206 CD ARG A 14 6.575 20.631 -13.020 1.00 33.34 C ATOM 207 NE ARG A 14 7.706 19.719 -12.871 1.00 41.32 N ATOM 208 CZ ARG A 14 8.888 19.916 -13.445 1.00 21.51 C ATOM 209 NH1 ARG A 14 9.092 20.985 -14.201 1.00 2.41 N ATOM 210 NH2 ARG A 14 9.869 19.041 -13.262 1.00 71.34 N ATOM 0 H ARG A 14 3.356 16.787 -12.550 1.00 2.53 H new ATOM 0 HA ARG A 14 2.846 19.672 -12.880 1.00 71.20 H new ATOM 0 HB2 ARG A 14 5.199 17.947 -12.730 1.00 14.31 H new ATOM 0 HB3 ARG A 14 5.213 18.892 -14.206 1.00 14.31 H new ATOM 0 HG2 ARG A 14 4.527 20.829 -12.405 1.00 33.31 H new ATOM 0 HG3 ARG A 14 5.484 19.778 -11.379 1.00 33.31 H new ATOM 0 HD2 ARG A 14 6.414 20.839 -14.078 1.00 33.34 H new ATOM 0 HD3 ARG A 14 6.810 21.581 -12.541 1.00 33.34 H new ATOM 0 HE ARG A 14 7.582 18.886 -12.295 1.00 41.32 H new ATOM 0 HH11 ARG A 14 8.340 21.660 -14.344 1.00 2.41 H new ATOM 0 HH12 ARG A 14 10.001 21.133 -14.640 1.00 2.41 H new ATOM 0 HH21 ARG A 14 9.716 18.217 -12.681 1.00 71.34 H new ATOM 0 HH22 ARG A 14 10.776 19.192 -13.703 1.00 71.34 H new ATOM 224 N LEU A 15 2.162 17.491 -15.014 1.00 62.11 N ATOM 225 CA LEU A 15 1.687 17.216 -16.366 1.00 5.50 C ATOM 226 C LEU A 15 0.163 17.200 -16.415 1.00 20.32 C ATOM 227 O LEU A 15 -0.444 17.718 -17.352 1.00 43.41 O ATOM 228 CB LEU A 15 2.240 15.878 -16.860 1.00 13.13 C ATOM 229 CG LEU A 15 3.558 15.424 -16.233 1.00 22.33 C ATOM 230 CD1 LEU A 15 3.946 14.045 -16.745 1.00 13.11 C ATOM 231 CD2 LEU A 15 4.661 16.431 -16.521 1.00 43.44 C ATOM 0 H LEU A 15 1.923 16.774 -14.329 1.00 62.11 H new ATOM 0 HA LEU A 15 2.044 18.012 -17.019 1.00 5.50 H new ATOM 0 HB2 LEU A 15 1.490 15.108 -16.678 1.00 13.13 H new ATOM 0 HB3 LEU A 15 2.377 15.941 -17.940 1.00 13.13 H new ATOM 0 HG LEU A 15 3.422 15.363 -15.153 1.00 22.33 H new ATOM 0 HD11 LEU A 15 4.887 13.739 -16.288 1.00 13.11 H new ATOM 0 HD12 LEU A 15 3.166 13.328 -16.487 1.00 13.11 H new ATOM 0 HD13 LEU A 15 4.063 14.079 -17.828 1.00 13.11 H new ATOM 0 HD21 LEU A 15 5.592 16.091 -16.067 1.00 43.44 H new ATOM 0 HD22 LEU A 15 4.796 16.525 -17.599 1.00 43.44 H new ATOM 0 HD23 LEU A 15 4.387 17.400 -16.104 1.00 43.44 H new ATOM 243 N ASP A 16 -0.450 16.602 -15.399 1.00 4.54 N ATOM 244 CA ASP A 16 -1.904 16.521 -15.324 1.00 3.14 C ATOM 245 C ASP A 16 -2.487 15.996 -16.632 1.00 22.22 C ATOM 246 O ASP A 16 -3.533 16.457 -17.086 1.00 14.22 O ATOM 247 CB ASP A 16 -2.497 17.894 -15.001 1.00 63.43 C ATOM 248 CG ASP A 16 -2.151 18.359 -13.600 1.00 75.14 C ATOM 249 OD1 ASP A 16 -0.966 18.661 -13.351 1.00 5.15 O ATOM 250 OD2 ASP A 16 -3.067 18.422 -12.754 1.00 33.30 O ATOM 0 H ASP A 16 0.038 16.166 -14.616 1.00 4.54 H new ATOM 0 HA ASP A 16 -2.164 15.825 -14.526 1.00 3.14 H new ATOM 0 HB2 ASP A 16 -2.131 18.624 -15.724 1.00 63.43 H new ATOM 0 HB3 ASP A 16 -3.581 17.853 -15.110 1.00 63.43 H new ATOM 255 N ALA A 17 -1.801 15.029 -17.233 1.00 73.02 N ATOM 256 CA ALA A 17 -2.252 14.440 -18.488 1.00 45.54 C ATOM 257 C ALA A 17 -2.964 13.114 -18.248 1.00 74.03 C ATOM 258 O ALA A 17 -4.141 12.964 -18.575 1.00 70.24 O ATOM 259 CB ALA A 17 -1.074 14.246 -19.432 1.00 72.13 C ATOM 0 H ALA A 17 -0.931 14.637 -16.871 1.00 73.02 H new ATOM 0 HA ALA A 17 -2.964 15.126 -18.948 1.00 45.54 H new ATOM 0 HB1 ALA A 17 -1.424 13.805 -20.365 1.00 72.13 H new ATOM 0 HB2 ALA A 17 -0.610 15.211 -19.638 1.00 72.13 H new ATOM 0 HB3 ALA A 17 -0.343 13.583 -18.970 1.00 72.13 H new ATOM 265 N GLU A 18 -2.243 12.155 -17.676 1.00 34.02 N ATOM 266 CA GLU A 18 -2.808 10.841 -17.394 1.00 72.50 C ATOM 267 C GLU A 18 -3.520 10.832 -16.044 1.00 54.44 C ATOM 268 O GLU A 18 -4.681 10.435 -15.945 1.00 33.31 O ATOM 269 CB GLU A 18 -1.710 9.775 -17.410 1.00 73.11 C ATOM 270 CG GLU A 18 -1.919 8.670 -16.388 1.00 53.21 C ATOM 271 CD GLU A 18 -0.847 7.600 -16.458 1.00 52.12 C ATOM 272 OE1 GLU A 18 -1.158 6.429 -16.155 1.00 50.02 O ATOM 273 OE2 GLU A 18 0.302 7.933 -16.816 1.00 11.24 O ATOM 0 H GLU A 18 -1.267 12.263 -17.399 1.00 34.02 H new ATOM 0 HA GLU A 18 -3.537 10.614 -18.171 1.00 72.50 H new ATOM 0 HB2 GLU A 18 -1.659 9.333 -18.405 1.00 73.11 H new ATOM 0 HB3 GLU A 18 -0.748 10.253 -17.224 1.00 73.11 H new ATOM 0 HG2 GLU A 18 -1.930 9.103 -15.388 1.00 53.21 H new ATOM 0 HG3 GLU A 18 -2.895 8.212 -16.548 1.00 53.21 H new ATOM 280 N PHE A 19 -2.816 11.274 -15.008 1.00 21.23 N ATOM 281 CA PHE A 19 -3.379 11.316 -13.663 1.00 50.22 C ATOM 282 C PHE A 19 -4.630 12.189 -13.625 1.00 10.12 C ATOM 283 O PHE A 19 -5.655 11.799 -13.067 1.00 30.04 O ATOM 284 CB PHE A 19 -2.343 11.846 -12.670 1.00 1.41 C ATOM 285 CG PHE A 19 -1.631 10.763 -11.911 1.00 11.21 C ATOM 286 CD1 PHE A 19 -1.651 10.742 -10.526 1.00 21.13 C ATOM 287 CD2 PHE A 19 -0.942 9.767 -12.583 1.00 23.43 C ATOM 288 CE1 PHE A 19 -0.997 9.746 -9.824 1.00 52.41 C ATOM 289 CE2 PHE A 19 -0.287 8.768 -11.887 1.00 4.44 C ATOM 290 CZ PHE A 19 -0.313 8.759 -10.506 1.00 33.03 C ATOM 0 H PHE A 19 -1.855 11.608 -15.073 1.00 21.23 H new ATOM 0 HA PHE A 19 -3.657 10.301 -13.380 1.00 50.22 H new ATOM 0 HB2 PHE A 19 -1.608 12.444 -13.209 1.00 1.41 H new ATOM 0 HB3 PHE A 19 -2.837 12.510 -11.961 1.00 1.41 H new ATOM 0 HD1 PHE A 19 -2.184 11.512 -9.988 1.00 21.13 H new ATOM 0 HD2 PHE A 19 -0.916 9.771 -13.663 1.00 23.43 H new ATOM 0 HE1 PHE A 19 -1.021 9.740 -8.744 1.00 52.41 H new ATOM 0 HE2 PHE A 19 0.245 7.995 -12.423 1.00 4.44 H new ATOM 0 HZ PHE A 19 0.201 7.981 -9.960 1.00 33.03 H new ATOM 300 N ALA A 20 -4.537 13.373 -14.222 1.00 60.30 N ATOM 301 CA ALA A 20 -5.660 14.301 -14.258 1.00 34.41 C ATOM 302 C ALA A 20 -6.827 13.720 -15.050 1.00 0.01 C ATOM 303 O ALA A 20 -7.977 14.119 -14.865 1.00 2.42 O ATOM 304 CB ALA A 20 -5.226 15.632 -14.853 1.00 75.00 C ATOM 0 H ALA A 20 -3.695 13.712 -14.687 1.00 60.30 H new ATOM 0 HA ALA A 20 -5.996 14.466 -13.234 1.00 34.41 H new ATOM 0 HB1 ALA A 20 -6.075 16.315 -14.874 1.00 75.00 H new ATOM 0 HB2 ALA A 20 -4.430 16.060 -14.244 1.00 75.00 H new ATOM 0 HB3 ALA A 20 -4.862 15.475 -15.868 1.00 75.00 H new ATOM 310 N LYS A 21 -6.524 12.776 -15.934 1.00 20.51 N ATOM 311 CA LYS A 21 -7.547 12.139 -16.755 1.00 21.42 C ATOM 312 C LYS A 21 -8.180 10.962 -16.019 1.00 63.54 C ATOM 313 O LYS A 21 -9.309 10.568 -16.312 1.00 61.40 O ATOM 314 CB LYS A 21 -6.944 11.662 -18.078 1.00 54.35 C ATOM 315 CG LYS A 21 -7.175 12.623 -19.232 1.00 63.02 C ATOM 316 CD LYS A 21 -7.757 11.912 -20.442 1.00 65.34 C ATOM 317 CE LYS A 21 -9.186 11.458 -20.188 1.00 61.13 C ATOM 318 NZ LYS A 21 -10.040 11.610 -21.399 1.00 4.22 N ATOM 0 H LYS A 21 -5.577 12.435 -16.101 1.00 20.51 H new ATOM 0 HA LYS A 21 -8.323 12.876 -16.961 1.00 21.42 H new ATOM 0 HB2 LYS A 21 -5.872 11.515 -17.947 1.00 54.35 H new ATOM 0 HB3 LYS A 21 -7.370 10.692 -18.333 1.00 54.35 H new ATOM 0 HG2 LYS A 21 -7.851 13.417 -18.915 1.00 63.02 H new ATOM 0 HG3 LYS A 21 -6.233 13.097 -19.506 1.00 63.02 H new ATOM 0 HD2 LYS A 21 -7.734 12.579 -21.303 1.00 65.34 H new ATOM 0 HD3 LYS A 21 -7.139 11.049 -20.691 1.00 65.34 H new ATOM 0 HE2 LYS A 21 -9.185 10.415 -19.873 1.00 61.13 H new ATOM 0 HE3 LYS A 21 -9.611 12.038 -19.369 1.00 61.13 H new ATOM 0 HZ1 LYS A 21 -11.006 11.290 -21.185 1.00 4.22 H new ATOM 0 HZ2 LYS A 21 -10.062 12.610 -21.685 1.00 4.22 H new ATOM 0 HZ3 LYS A 21 -9.649 11.037 -22.174 1.00 4.22 H new ATOM 332 N LYS A 22 -7.446 10.404 -15.062 1.00 43.23 N ATOM 333 CA LYS A 22 -7.935 9.274 -14.282 1.00 74.23 C ATOM 334 C LYS A 22 -8.614 9.750 -13.002 1.00 34.40 C ATOM 335 O LYS A 22 -9.577 9.140 -12.536 1.00 3.53 O ATOM 336 CB LYS A 22 -6.783 8.327 -13.939 1.00 60.04 C ATOM 337 CG LYS A 22 -7.175 7.212 -12.986 1.00 33.41 C ATOM 338 CD LYS A 22 -6.219 6.035 -13.081 1.00 22.24 C ATOM 339 CE LYS A 22 -6.952 4.709 -12.952 1.00 33.42 C ATOM 340 NZ LYS A 22 -6.506 3.942 -11.756 1.00 34.14 N ATOM 0 H LYS A 22 -6.509 10.717 -14.808 1.00 43.23 H new ATOM 0 HA LYS A 22 -8.669 8.739 -14.885 1.00 74.23 H new ATOM 0 HB2 LYS A 22 -6.398 7.888 -14.860 1.00 60.04 H new ATOM 0 HB3 LYS A 22 -5.970 8.903 -13.496 1.00 60.04 H new ATOM 0 HG2 LYS A 22 -7.185 7.592 -11.964 1.00 33.41 H new ATOM 0 HG3 LYS A 22 -8.188 6.878 -13.212 1.00 33.41 H new ATOM 0 HD2 LYS A 22 -5.692 6.069 -14.035 1.00 22.24 H new ATOM 0 HD3 LYS A 22 -5.465 6.113 -12.297 1.00 22.24 H new ATOM 0 HE2 LYS A 22 -8.025 4.892 -12.887 1.00 33.42 H new ATOM 0 HE3 LYS A 22 -6.784 4.113 -13.849 1.00 33.42 H new ATOM 0 HZ1 LYS A 22 -7.029 3.045 -11.704 1.00 34.14 H new ATOM 0 HZ2 LYS A 22 -5.488 3.745 -11.830 1.00 34.14 H new ATOM 0 HZ3 LYS A 22 -6.689 4.500 -10.898 1.00 34.14 H new ATOM 354 N MET A 23 -8.108 10.842 -12.440 1.00 22.14 N ATOM 355 CA MET A 23 -8.668 11.400 -11.214 1.00 51.35 C ATOM 356 C MET A 23 -10.152 11.707 -11.386 1.00 54.31 C ATOM 357 O MET A 23 -10.913 11.697 -10.419 1.00 2.12 O ATOM 358 CB MET A 23 -7.915 12.671 -10.817 1.00 11.40 C ATOM 359 CG MET A 23 -7.411 12.656 -9.383 1.00 63.41 C ATOM 360 SD MET A 23 -8.731 12.388 -8.185 1.00 73.51 S ATOM 361 CE MET A 23 -8.310 13.603 -6.939 1.00 23.01 C ATOM 0 H MET A 23 -7.312 11.358 -12.813 1.00 22.14 H new ATOM 0 HA MET A 23 -8.557 10.659 -10.423 1.00 51.35 H new ATOM 0 HB2 MET A 23 -7.068 12.807 -11.490 1.00 11.40 H new ATOM 0 HB3 MET A 23 -8.572 13.530 -10.954 1.00 11.40 H new ATOM 0 HG2 MET A 23 -6.662 11.872 -9.274 1.00 63.41 H new ATOM 0 HG3 MET A 23 -6.916 13.602 -9.166 1.00 63.41 H new ATOM 0 HE1 MET A 23 -8.146 13.103 -5.984 1.00 23.01 H new ATOM 0 HE2 MET A 23 -7.402 14.128 -7.235 1.00 23.01 H new ATOM 0 HE3 MET A 23 -9.126 14.319 -6.838 1.00 23.01 H new ATOM 371 N GLU A 24 -10.557 11.980 -12.623 1.00 3.22 N ATOM 372 CA GLU A 24 -11.950 12.291 -12.919 1.00 52.11 C ATOM 373 C GLU A 24 -12.865 11.144 -12.500 1.00 23.25 C ATOM 374 O GLU A 24 -14.064 11.334 -12.303 1.00 34.34 O ATOM 375 CB GLU A 24 -12.126 12.578 -14.412 1.00 23.02 C ATOM 376 CG GLU A 24 -12.832 13.892 -14.700 1.00 71.12 C ATOM 377 CD GLU A 24 -12.020 14.807 -15.596 1.00 23.22 C ATOM 378 OE1 GLU A 24 -12.380 14.946 -16.784 1.00 0.35 O ATOM 379 OE2 GLU A 24 -11.024 15.383 -15.110 1.00 31.12 O ATOM 0 H GLU A 24 -9.940 11.992 -13.435 1.00 3.22 H new ATOM 0 HA GLU A 24 -12.225 13.179 -12.350 1.00 52.11 H new ATOM 0 HB2 GLU A 24 -11.146 12.590 -14.889 1.00 23.02 H new ATOM 0 HB3 GLU A 24 -12.692 11.764 -14.866 1.00 23.02 H new ATOM 0 HG2 GLU A 24 -13.793 13.688 -15.171 1.00 71.12 H new ATOM 0 HG3 GLU A 24 -13.040 14.402 -13.759 1.00 71.12 H new ATOM 386 N GLU A 25 -12.288 9.954 -12.366 1.00 21.43 N ATOM 387 CA GLU A 25 -13.051 8.776 -11.971 1.00 74.42 C ATOM 388 C GLU A 25 -13.279 8.755 -10.462 1.00 62.13 C ATOM 389 O GLU A 25 -13.906 7.838 -9.932 1.00 40.41 O ATOM 390 CB GLU A 25 -12.325 7.501 -12.406 1.00 75.21 C ATOM 391 CG GLU A 25 -12.256 7.324 -13.914 1.00 32.04 C ATOM 392 CD GLU A 25 -11.008 6.586 -14.358 1.00 10.42 C ATOM 393 OE1 GLU A 25 -10.614 6.743 -15.532 1.00 64.15 O ATOM 394 OE2 GLU A 25 -10.426 5.853 -13.532 1.00 30.13 O ATOM 0 H GLU A 25 -11.296 9.780 -12.525 1.00 21.43 H new ATOM 0 HA GLU A 25 -14.021 8.821 -12.467 1.00 74.42 H new ATOM 0 HB2 GLU A 25 -11.312 7.514 -12.004 1.00 75.21 H new ATOM 0 HB3 GLU A 25 -12.830 6.639 -11.970 1.00 75.21 H new ATOM 0 HG2 GLU A 25 -13.136 6.778 -14.253 1.00 32.04 H new ATOM 0 HG3 GLU A 25 -12.284 8.303 -14.393 1.00 32.04 H new ATOM 401 N GLN A 26 -12.764 9.771 -9.778 1.00 43.32 N ATOM 402 CA GLN A 26 -12.909 9.869 -8.331 1.00 14.13 C ATOM 403 C GLN A 26 -14.365 9.679 -7.916 1.00 3.10 C ATOM 404 O GLN A 26 -14.657 8.992 -6.938 1.00 62.24 O ATOM 405 CB GLN A 26 -12.398 11.223 -7.836 1.00 14.31 C ATOM 406 CG GLN A 26 -12.639 11.459 -6.354 1.00 4.55 C ATOM 407 CD GLN A 26 -11.809 12.603 -5.803 1.00 34.12 C ATOM 408 OE1 GLN A 26 -10.717 12.394 -5.275 1.00 44.41 O ATOM 409 NE2 GLN A 26 -12.326 13.820 -5.923 1.00 4.40 N ATOM 0 H GLN A 26 -12.243 10.538 -10.203 1.00 43.32 H new ATOM 0 HA GLN A 26 -12.314 9.076 -7.877 1.00 14.13 H new ATOM 0 HB2 GLN A 26 -11.329 11.295 -8.038 1.00 14.31 H new ATOM 0 HB3 GLN A 26 -12.884 12.016 -8.405 1.00 14.31 H new ATOM 0 HG2 GLN A 26 -13.696 11.670 -6.191 1.00 4.55 H new ATOM 0 HG3 GLN A 26 -12.407 10.548 -5.802 1.00 4.55 H new ATOM 0 HE21 GLN A 26 -13.235 13.946 -6.368 1.00 4.40 H new ATOM 0 HE22 GLN A 26 -11.814 14.629 -5.570 1.00 4.40 H new ATOM 418 N ASN A 27 -15.274 10.293 -8.666 1.00 43.52 N ATOM 419 CA ASN A 27 -16.699 10.193 -8.376 1.00 33.44 C ATOM 420 C ASN A 27 -17.140 8.733 -8.314 1.00 1.23 C ATOM 421 O ASN A 27 -18.030 8.374 -7.543 1.00 20.33 O ATOM 422 CB ASN A 27 -17.511 10.938 -9.437 1.00 34.41 C ATOM 423 CG ASN A 27 -18.718 11.645 -8.851 1.00 30.22 C ATOM 424 OD1 ASN A 27 -19.279 11.209 -7.845 1.00 41.12 O ATOM 425 ND2 ASN A 27 -19.123 12.742 -9.479 1.00 54.20 N ATOM 0 H ASN A 27 -15.049 10.865 -9.480 1.00 43.52 H new ATOM 0 HA ASN A 27 -16.879 10.651 -7.403 1.00 33.44 H new ATOM 0 HB2 ASN A 27 -16.872 11.668 -9.934 1.00 34.41 H new ATOM 0 HB3 ASN A 27 -17.841 10.233 -10.199 1.00 34.41 H new ATOM 0 HD21 ASN A 27 -19.930 13.260 -9.131 1.00 54.20 H new ATOM 0 HD22 ASN A 27 -18.628 13.067 -10.309 1.00 54.20 H new ATOM 432 N LYS A 28 -16.510 7.896 -9.131 1.00 32.33 N ATOM 433 CA LYS A 28 -16.834 6.475 -9.169 1.00 34.30 C ATOM 434 C LYS A 28 -16.100 5.719 -8.066 1.00 11.21 C ATOM 435 O LYS A 28 -16.467 4.596 -7.719 1.00 52.43 O ATOM 436 CB LYS A 28 -16.473 5.885 -10.534 1.00 25.52 C ATOM 437 CG LYS A 28 -16.842 6.782 -11.702 1.00 11.31 C ATOM 438 CD LYS A 28 -18.323 7.122 -11.697 1.00 40.51 C ATOM 439 CE LYS A 28 -18.690 8.030 -12.861 1.00 72.02 C ATOM 440 NZ LYS A 28 -20.143 8.358 -12.872 1.00 62.32 N ATOM 0 H LYS A 28 -15.772 8.177 -9.776 1.00 32.33 H new ATOM 0 HA LYS A 28 -17.906 6.368 -9.006 1.00 34.30 H new ATOM 0 HB2 LYS A 28 -15.401 5.688 -10.563 1.00 25.52 H new ATOM 0 HB3 LYS A 28 -16.977 4.926 -10.650 1.00 25.52 H new ATOM 0 HG2 LYS A 28 -16.257 7.700 -11.656 1.00 11.31 H new ATOM 0 HG3 LYS A 28 -16.585 6.287 -12.638 1.00 11.31 H new ATOM 0 HD2 LYS A 28 -18.908 6.204 -11.751 1.00 40.51 H new ATOM 0 HD3 LYS A 28 -18.582 7.610 -10.758 1.00 40.51 H new ATOM 0 HE2 LYS A 28 -18.110 8.951 -12.800 1.00 72.02 H new ATOM 0 HE3 LYS A 28 -18.420 7.545 -13.799 1.00 72.02 H new ATOM 0 HZ1 LYS A 28 -20.353 8.978 -13.680 1.00 62.32 H new ATOM 0 HZ2 LYS A 28 -20.696 7.481 -12.956 1.00 62.32 H new ATOM 0 HZ3 LYS A 28 -20.396 8.844 -11.988 1.00 62.32 H new ATOM 454 N ARG A 29 -15.063 6.343 -7.517 1.00 64.13 N ATOM 455 CA ARG A 29 -14.277 5.729 -6.453 1.00 55.13 C ATOM 456 C ARG A 29 -15.170 5.321 -5.285 1.00 13.10 C ATOM 457 O ARG A 29 -14.805 4.463 -4.481 1.00 73.22 O ATOM 458 CB ARG A 29 -13.194 6.694 -5.968 1.00 61.13 C ATOM 459 CG ARG A 29 -12.143 6.037 -5.089 1.00 23.12 C ATOM 460 CD ARG A 29 -11.530 7.032 -4.115 1.00 61.34 C ATOM 461 NE ARG A 29 -12.511 7.536 -3.158 1.00 61.21 N ATOM 462 CZ ARG A 29 -12.910 6.857 -2.088 1.00 44.01 C ATOM 463 NH1 ARG A 29 -12.414 5.653 -1.840 1.00 64.21 N ATOM 464 NH2 ARG A 29 -13.806 7.383 -1.263 1.00 52.14 N ATOM 0 H ARG A 29 -14.747 7.273 -7.791 1.00 64.13 H new ATOM 0 HA ARG A 29 -13.802 4.834 -6.856 1.00 55.13 H new ATOM 0 HB2 ARG A 29 -12.704 7.142 -6.833 1.00 61.13 H new ATOM 0 HB3 ARG A 29 -13.664 7.505 -5.413 1.00 61.13 H new ATOM 0 HG2 ARG A 29 -12.594 5.214 -4.535 1.00 23.12 H new ATOM 0 HG3 ARG A 29 -11.360 5.609 -5.715 1.00 23.12 H new ATOM 0 HD2 ARG A 29 -10.711 6.555 -3.577 1.00 61.34 H new ATOM 0 HD3 ARG A 29 -11.103 7.867 -4.670 1.00 61.34 H new ATOM 0 HE ARG A 29 -12.912 8.460 -3.320 1.00 61.21 H new ATOM 0 HH11 ARG A 29 -11.724 5.246 -2.471 1.00 64.21 H new ATOM 0 HH12 ARG A 29 -12.722 5.134 -1.018 1.00 64.21 H new ATOM 0 HH21 ARG A 29 -14.189 8.310 -1.450 1.00 52.14 H new ATOM 0 HH22 ARG A 29 -14.112 6.861 -0.442 1.00 52.14 H new ATOM 478 N PHE A 30 -16.342 5.943 -5.197 1.00 64.40 N ATOM 479 CA PHE A 30 -17.286 5.646 -4.126 1.00 71.34 C ATOM 480 C PHE A 30 -17.947 4.288 -4.345 1.00 62.21 C ATOM 481 O PHE A 30 -18.356 3.623 -3.393 1.00 15.51 O ATOM 482 CB PHE A 30 -18.355 6.738 -4.043 1.00 25.24 C ATOM 483 CG PHE A 30 -18.359 7.473 -2.733 1.00 22.12 C ATOM 484 CD1 PHE A 30 -17.733 8.703 -2.612 1.00 23.15 C ATOM 485 CD2 PHE A 30 -18.989 6.934 -1.623 1.00 24.43 C ATOM 486 CE1 PHE A 30 -17.735 9.382 -1.408 1.00 11.32 C ATOM 487 CE2 PHE A 30 -18.995 7.608 -0.417 1.00 3.44 C ATOM 488 CZ PHE A 30 -18.366 8.834 -0.309 1.00 32.44 C ATOM 0 H PHE A 30 -16.660 6.655 -5.854 1.00 64.40 H new ATOM 0 HA PHE A 30 -16.734 5.615 -3.187 1.00 71.34 H new ATOM 0 HB2 PHE A 30 -18.197 7.452 -4.851 1.00 25.24 H new ATOM 0 HB3 PHE A 30 -19.335 6.289 -4.202 1.00 25.24 H new ATOM 0 HD1 PHE A 30 -17.238 9.136 -3.468 1.00 23.15 H new ATOM 0 HD2 PHE A 30 -19.481 5.976 -1.701 1.00 24.43 H new ATOM 0 HE1 PHE A 30 -17.243 10.340 -1.327 1.00 11.32 H new ATOM 0 HE2 PHE A 30 -19.491 7.177 0.440 1.00 3.44 H new ATOM 0 HZ PHE A 30 -18.368 9.362 0.633 1.00 32.44 H new ATOM 498 N PHE A 31 -18.047 3.882 -5.607 1.00 35.25 N ATOM 499 CA PHE A 31 -18.660 2.604 -5.952 1.00 3.21 C ATOM 500 C PHE A 31 -17.596 1.573 -6.318 1.00 73.11 C ATOM 501 O PHE A 31 -17.885 0.382 -6.434 1.00 10.32 O ATOM 502 CB PHE A 31 -19.637 2.781 -7.116 1.00 31.12 C ATOM 503 CG PHE A 31 -20.486 1.569 -7.375 1.00 13.43 C ATOM 504 CD1 PHE A 31 -21.615 1.322 -6.610 1.00 71.04 C ATOM 505 CD2 PHE A 31 -20.155 0.678 -8.382 1.00 73.43 C ATOM 506 CE1 PHE A 31 -22.399 0.208 -6.846 1.00 41.22 C ATOM 507 CE2 PHE A 31 -20.936 -0.437 -8.623 1.00 65.50 C ATOM 508 CZ PHE A 31 -22.058 -0.673 -7.853 1.00 61.23 C ATOM 0 H PHE A 31 -17.712 4.419 -6.407 1.00 35.25 H new ATOM 0 HA PHE A 31 -19.206 2.243 -5.080 1.00 3.21 H new ATOM 0 HB2 PHE A 31 -20.286 3.632 -6.909 1.00 31.12 H new ATOM 0 HB3 PHE A 31 -19.075 3.021 -8.019 1.00 31.12 H new ATOM 0 HD1 PHE A 31 -21.885 2.008 -5.821 1.00 71.04 H new ATOM 0 HD2 PHE A 31 -19.277 0.856 -8.986 1.00 73.43 H new ATOM 0 HE1 PHE A 31 -23.277 0.027 -6.244 1.00 41.22 H new ATOM 0 HE2 PHE A 31 -20.669 -1.123 -9.413 1.00 65.50 H new ATOM 0 HZ PHE A 31 -22.668 -1.545 -8.038 1.00 61.23 H new ATOM 518 N ALA A 32 -16.365 2.040 -6.500 1.00 35.02 N ATOM 519 CA ALA A 32 -15.258 1.159 -6.851 1.00 54.44 C ATOM 520 C ALA A 32 -14.314 0.967 -5.670 1.00 63.31 C ATOM 521 O ALA A 32 -13.418 0.123 -5.711 1.00 2.24 O ATOM 522 CB ALA A 32 -14.502 1.715 -8.049 1.00 73.33 C ATOM 0 H ALA A 32 -16.109 3.023 -6.410 1.00 35.02 H new ATOM 0 HA ALA A 32 -15.670 0.185 -7.115 1.00 54.44 H new ATOM 0 HB1 ALA A 32 -13.678 1.048 -8.301 1.00 73.33 H new ATOM 0 HB2 ALA A 32 -15.178 1.795 -8.901 1.00 73.33 H new ATOM 0 HB3 ALA A 32 -14.108 2.702 -7.805 1.00 73.33 H new ATOM 528 N ASP A 33 -14.519 1.754 -4.620 1.00 32.32 N ATOM 529 CA ASP A 33 -13.686 1.669 -3.426 1.00 45.23 C ATOM 530 C ASP A 33 -13.685 0.252 -2.863 1.00 71.50 C ATOM 531 O ASP A 33 -12.773 -0.138 -2.133 1.00 15.13 O ATOM 532 CB ASP A 33 -14.178 2.653 -2.364 1.00 4.32 C ATOM 533 CG ASP A 33 -15.690 2.706 -2.280 1.00 34.23 C ATOM 534 OD1 ASP A 33 -16.229 3.776 -1.926 1.00 44.13 O ATOM 535 OD2 ASP A 33 -16.336 1.677 -2.568 1.00 73.20 O ATOM 0 H ASP A 33 -15.255 2.458 -4.571 1.00 32.32 H new ATOM 0 HA ASP A 33 -12.665 1.929 -3.706 1.00 45.23 H new ATOM 0 HB2 ASP A 33 -13.773 2.368 -1.393 1.00 4.32 H new ATOM 0 HB3 ASP A 33 -13.794 3.648 -2.589 1.00 4.32 H new ATOM 540 N LYS A 34 -14.714 -0.516 -3.206 1.00 64.33 N ATOM 541 CA LYS A 34 -14.833 -1.891 -2.736 1.00 32.31 C ATOM 542 C LYS A 34 -13.539 -2.662 -2.974 1.00 61.44 C ATOM 543 O LYS A 34 -13.185 -2.994 -4.106 1.00 75.41 O ATOM 544 CB LYS A 34 -15.995 -2.594 -3.441 1.00 74.12 C ATOM 545 CG LYS A 34 -16.037 -2.346 -4.939 1.00 55.21 C ATOM 546 CD LYS A 34 -16.160 -3.646 -5.716 1.00 41.45 C ATOM 547 CE LYS A 34 -15.704 -3.478 -7.158 1.00 23.02 C ATOM 548 NZ LYS A 34 -15.162 -4.747 -7.719 1.00 54.43 N ATOM 0 H LYS A 34 -15.478 -0.209 -3.808 1.00 64.33 H new ATOM 0 HA LYS A 34 -15.028 -1.866 -1.664 1.00 32.31 H new ATOM 0 HB2 LYS A 34 -15.923 -3.667 -3.261 1.00 74.12 H new ATOM 0 HB3 LYS A 34 -16.933 -2.259 -2.999 1.00 74.12 H new ATOM 0 HG2 LYS A 34 -16.880 -1.697 -5.178 1.00 55.21 H new ATOM 0 HG3 LYS A 34 -15.133 -1.821 -5.247 1.00 55.21 H new ATOM 0 HD2 LYS A 34 -15.563 -4.419 -5.232 1.00 41.45 H new ATOM 0 HD3 LYS A 34 -17.196 -3.986 -5.698 1.00 41.45 H new ATOM 0 HE2 LYS A 34 -16.542 -3.140 -7.767 1.00 23.02 H new ATOM 0 HE3 LYS A 34 -14.940 -2.702 -7.209 1.00 23.02 H new ATOM 0 HZ1 LYS A 34 -14.862 -4.592 -8.703 1.00 54.43 H new ATOM 0 HZ2 LYS A 34 -14.346 -5.056 -7.153 1.00 54.43 H new ATOM 0 HZ3 LYS A 34 -15.899 -5.480 -7.694 1.00 54.43 H new ATOM 562 N PRO A 35 -12.815 -2.956 -1.884 1.00 63.33 N ATOM 563 CA PRO A 35 -11.549 -3.694 -1.950 1.00 14.43 C ATOM 564 C PRO A 35 -11.750 -5.156 -2.331 1.00 30.41 C ATOM 565 O PRO A 35 -12.023 -5.999 -1.476 1.00 3.15 O ATOM 566 CB PRO A 35 -11.000 -3.583 -0.525 1.00 53.32 C ATOM 567 CG PRO A 35 -12.203 -3.379 0.330 1.00 72.52 C ATOM 568 CD PRO A 35 -13.176 -2.592 -0.504 1.00 5.20 C ATOM 0 HA PRO A 35 -10.881 -3.291 -2.712 1.00 14.43 H new ATOM 0 HB2 PRO A 35 -10.459 -4.485 -0.238 1.00 53.32 H new ATOM 0 HB3 PRO A 35 -10.303 -2.750 -0.433 1.00 53.32 H new ATOM 0 HG2 PRO A 35 -12.632 -4.334 0.633 1.00 72.52 H new ATOM 0 HG3 PRO A 35 -11.946 -2.841 1.242 1.00 72.52 H new ATOM 0 HD2 PRO A 35 -14.208 -2.858 -0.275 1.00 5.20 H new ATOM 0 HD3 PRO A 35 -13.077 -1.520 -0.332 1.00 5.20 H new ATOM 576 N ASP A 36 -11.613 -5.451 -3.619 1.00 21.42 N ATOM 577 CA ASP A 36 -11.778 -6.813 -4.113 1.00 64.50 C ATOM 578 C ASP A 36 -10.541 -7.265 -4.883 1.00 64.40 C ATOM 579 O ASP A 36 -9.983 -8.328 -4.611 1.00 31.00 O ATOM 580 CB ASP A 36 -13.014 -6.908 -5.009 1.00 2.14 C ATOM 581 CG ASP A 36 -14.194 -7.544 -4.301 1.00 70.32 C ATOM 582 OD1 ASP A 36 -15.294 -6.953 -4.332 1.00 70.44 O ATOM 583 OD2 ASP A 36 -14.018 -8.634 -3.717 1.00 40.40 O ATOM 0 H ASP A 36 -11.388 -4.765 -4.340 1.00 21.42 H new ATOM 0 HA ASP A 36 -11.910 -7.471 -3.254 1.00 64.50 H new ATOM 0 HB2 ASP A 36 -13.292 -5.910 -5.347 1.00 2.14 H new ATOM 0 HB3 ASP A 36 -12.771 -7.490 -5.898 1.00 2.14 H new ATOM 588 N GLU A 37 -10.119 -6.451 -5.846 1.00 24.35 N ATOM 589 CA GLU A 37 -8.949 -6.769 -6.656 1.00 23.42 C ATOM 590 C GLU A 37 -7.793 -5.824 -6.338 1.00 75.41 C ATOM 591 O GLU A 37 -6.625 -6.189 -6.468 1.00 75.31 O ATOM 592 CB GLU A 37 -9.294 -6.688 -8.144 1.00 52.12 C ATOM 593 CG GLU A 37 -8.129 -7.025 -9.059 1.00 5.41 C ATOM 594 CD GLU A 37 -8.579 -7.488 -10.431 1.00 25.44 C ATOM 595 OE1 GLU A 37 -8.374 -6.737 -11.407 1.00 12.31 O ATOM 596 OE2 GLU A 37 -9.135 -8.602 -10.528 1.00 63.11 O ATOM 0 H GLU A 37 -10.570 -5.567 -6.084 1.00 24.35 H new ATOM 0 HA GLU A 37 -8.640 -7.786 -6.417 1.00 23.42 H new ATOM 0 HB2 GLU A 37 -10.119 -7.369 -8.354 1.00 52.12 H new ATOM 0 HB3 GLU A 37 -9.645 -5.682 -8.373 1.00 52.12 H new ATOM 0 HG2 GLU A 37 -7.491 -6.148 -9.167 1.00 5.41 H new ATOM 0 HG3 GLU A 37 -7.523 -7.805 -8.597 1.00 5.41 H new ATOM 603 N ALA A 38 -8.129 -4.608 -5.921 1.00 54.14 N ATOM 604 CA ALA A 38 -7.121 -3.611 -5.584 1.00 14.34 C ATOM 605 C ALA A 38 -6.810 -3.629 -4.091 1.00 45.01 C ATOM 606 O ALA A 38 -5.662 -3.824 -3.688 1.00 34.33 O ATOM 607 CB ALA A 38 -7.585 -2.226 -6.011 1.00 10.10 C ATOM 0 H ALA A 38 -9.092 -4.290 -5.808 1.00 54.14 H new ATOM 0 HA ALA A 38 -6.206 -3.858 -6.123 1.00 14.34 H new ATOM 0 HB1 ALA A 38 -6.822 -1.491 -5.753 1.00 10.10 H new ATOM 0 HB2 ALA A 38 -7.751 -2.214 -7.088 1.00 10.10 H new ATOM 0 HB3 ALA A 38 -8.515 -1.979 -5.498 1.00 10.10 H new ATOM 613 N THR A 39 -7.838 -3.423 -3.274 1.00 23.54 N ATOM 614 CA THR A 39 -7.673 -3.414 -1.826 1.00 21.54 C ATOM 615 C THR A 39 -6.539 -2.486 -1.407 1.00 40.30 C ATOM 616 O THR A 39 -5.851 -2.737 -0.417 1.00 5.31 O ATOM 617 CB THR A 39 -7.390 -4.828 -1.284 1.00 21.34 C ATOM 618 OG1 THR A 39 -6.018 -5.173 -1.507 1.00 73.35 O ATOM 619 CG2 THR A 39 -8.292 -5.855 -1.952 1.00 41.32 C ATOM 0 H THR A 39 -8.794 -3.260 -3.591 1.00 23.54 H new ATOM 0 HA THR A 39 -8.610 -3.051 -1.404 1.00 21.54 H new ATOM 0 HB THR A 39 -7.595 -4.830 -0.213 1.00 21.34 H new ATOM 0 HG1 THR A 39 -5.649 -4.606 -2.216 1.00 73.35 H new ATOM 0 HG21 THR A 39 -8.073 -6.845 -1.553 1.00 41.32 H new ATOM 0 HG22 THR A 39 -9.335 -5.606 -1.755 1.00 41.32 H new ATOM 0 HG23 THR A 39 -8.115 -5.850 -3.028 1.00 41.32 H new ATOM 627 N LEU A 40 -6.350 -1.412 -2.166 1.00 5.13 N ATOM 628 CA LEU A 40 -5.298 -0.444 -1.873 1.00 13.23 C ATOM 629 C LEU A 40 -5.637 0.367 -0.626 1.00 2.01 C ATOM 630 O LEU A 40 -6.785 0.394 -0.183 1.00 72.54 O ATOM 631 CB LEU A 40 -5.094 0.493 -3.064 1.00 40.25 C ATOM 632 CG LEU A 40 -6.317 1.301 -3.501 1.00 20.42 C ATOM 633 CD1 LEU A 40 -5.915 2.720 -3.872 1.00 32.33 C ATOM 634 CD2 LEU A 40 -7.017 0.620 -4.668 1.00 65.03 C ATOM 0 H LEU A 40 -6.911 -1.189 -2.988 1.00 5.13 H new ATOM 0 HA LEU A 40 -4.375 -0.993 -1.688 1.00 13.23 H new ATOM 0 HB2 LEU A 40 -4.292 1.190 -2.819 1.00 40.25 H new ATOM 0 HB3 LEU A 40 -4.753 -0.100 -3.913 1.00 40.25 H new ATOM 0 HG LEU A 40 -7.014 1.350 -2.664 1.00 20.42 H new ATOM 0 HD11 LEU A 40 -6.798 3.280 -4.180 1.00 32.33 H new ATOM 0 HD12 LEU A 40 -5.460 3.207 -3.009 1.00 32.33 H new ATOM 0 HD13 LEU A 40 -5.198 2.692 -4.693 1.00 32.33 H new ATOM 0 HD21 LEU A 40 -7.885 1.209 -4.966 1.00 65.03 H new ATOM 0 HD22 LEU A 40 -6.328 0.539 -5.509 1.00 65.03 H new ATOM 0 HD23 LEU A 40 -7.341 -0.376 -4.367 1.00 65.03 H new ATOM 646 N SER A 41 -4.630 1.029 -0.065 1.00 63.02 N ATOM 647 CA SER A 41 -4.820 1.840 1.132 1.00 72.13 C ATOM 648 C SER A 41 -5.099 3.294 0.764 1.00 74.01 C ATOM 649 O SER A 41 -4.916 3.719 -0.377 1.00 22.20 O ATOM 650 CB SER A 41 -3.585 1.757 2.031 1.00 14.50 C ATOM 651 OG SER A 41 -2.629 0.855 1.503 1.00 41.23 O ATOM 0 H SER A 41 -3.674 1.020 -0.420 1.00 63.02 H new ATOM 0 HA SER A 41 -5.681 1.449 1.673 1.00 72.13 H new ATOM 0 HB2 SER A 41 -3.139 2.746 2.133 1.00 14.50 H new ATOM 0 HB3 SER A 41 -3.880 1.436 3.030 1.00 14.50 H new ATOM 0 HG SER A 41 -1.849 0.822 2.095 1.00 41.23 H new ATOM 657 N PRO A 42 -5.555 4.077 1.753 1.00 24.35 N ATOM 658 CA PRO A 42 -5.869 5.495 1.560 1.00 42.43 C ATOM 659 C PRO A 42 -4.620 6.340 1.334 1.00 43.23 C ATOM 660 O PRO A 42 -4.684 7.569 1.324 1.00 75.14 O ATOM 661 CB PRO A 42 -6.551 5.890 2.872 1.00 0.00 C ATOM 662 CG PRO A 42 -6.023 4.926 3.878 1.00 10.51 C ATOM 663 CD PRO A 42 -5.797 3.637 3.138 1.00 41.31 C ATOM 0 HA PRO A 42 -6.487 5.658 0.677 1.00 42.43 H new ATOM 0 HB2 PRO A 42 -6.315 6.918 3.147 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.636 5.823 2.790 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.095 5.291 4.318 1.00 10.51 H new ATOM 0 HG3 PRO A 42 -6.731 4.788 4.695 1.00 10.51 H new ATOM 0 HD2 PRO A 42 -4.946 3.087 3.539 1.00 41.31 H new ATOM 0 HD3 PRO A 42 -6.663 2.978 3.205 1.00 41.31 H new ATOM 671 N GLU A 43 -3.484 5.673 1.152 1.00 32.04 N ATOM 672 CA GLU A 43 -2.220 6.364 0.927 1.00 54.42 C ATOM 673 C GLU A 43 -2.321 7.305 -0.270 1.00 51.43 C ATOM 674 O GLU A 43 -1.775 8.408 -0.254 1.00 12.13 O ATOM 675 CB GLU A 43 -1.094 5.354 0.702 1.00 62.35 C ATOM 676 CG GLU A 43 -0.727 5.168 -0.761 1.00 65.51 C ATOM 677 CD GLU A 43 0.342 4.111 -0.964 1.00 72.24 C ATOM 678 OE1 GLU A 43 0.161 2.981 -0.463 1.00 51.23 O ATOM 679 OE2 GLU A 43 1.358 4.413 -1.624 1.00 2.03 O ATOM 0 H GLU A 43 -3.414 4.655 1.156 1.00 32.04 H new ATOM 0 HA GLU A 43 -1.995 6.955 1.815 1.00 54.42 H new ATOM 0 HB2 GLU A 43 -0.210 5.679 1.251 1.00 62.35 H new ATOM 0 HB3 GLU A 43 -1.392 4.392 1.118 1.00 62.35 H new ATOM 0 HG2 GLU A 43 -1.619 4.890 -1.323 1.00 65.51 H new ATOM 0 HG3 GLU A 43 -0.377 6.117 -1.167 1.00 65.51 H new ATOM 686 N MET A 44 -3.023 6.861 -1.308 1.00 22.33 N ATOM 687 CA MET A 44 -3.196 7.663 -2.513 1.00 61.11 C ATOM 688 C MET A 44 -4.456 8.517 -2.421 1.00 75.14 C ATOM 689 O MET A 44 -4.582 9.533 -3.105 1.00 44.22 O ATOM 690 CB MET A 44 -3.266 6.760 -3.746 1.00 43.55 C ATOM 691 CG MET A 44 -2.014 5.924 -3.959 1.00 52.33 C ATOM 692 SD MET A 44 -0.498 6.883 -3.772 1.00 74.42 S ATOM 693 CE MET A 44 -0.783 8.200 -4.952 1.00 63.32 C ATOM 0 H MET A 44 -3.481 5.950 -1.338 1.00 22.33 H new ATOM 0 HA MET A 44 -2.336 8.326 -2.605 1.00 61.11 H new ATOM 0 HB2 MET A 44 -4.125 6.096 -3.651 1.00 43.55 H new ATOM 0 HB3 MET A 44 -3.436 7.377 -4.629 1.00 43.55 H new ATOM 0 HG2 MET A 44 -2.007 5.099 -3.247 1.00 52.33 H new ATOM 0 HG3 MET A 44 -2.041 5.484 -4.956 1.00 52.33 H new ATOM 0 HE1 MET A 44 0.123 8.796 -5.058 1.00 63.32 H new ATOM 0 HE2 MET A 44 -1.050 7.772 -5.918 1.00 63.32 H new ATOM 0 HE3 MET A 44 -1.596 8.835 -4.599 1.00 63.32 H new ATOM 703 N LYS A 45 -5.389 8.098 -1.573 1.00 10.03 N ATOM 704 CA LYS A 45 -6.640 8.824 -1.390 1.00 51.33 C ATOM 705 C LYS A 45 -6.387 10.198 -0.778 1.00 13.22 C ATOM 706 O LYS A 45 -7.071 11.168 -1.104 1.00 62.12 O ATOM 707 CB LYS A 45 -7.593 8.024 -0.499 1.00 41.42 C ATOM 708 CG LYS A 45 -8.135 6.769 -1.161 1.00 10.31 C ATOM 709 CD LYS A 45 -9.553 6.468 -0.707 1.00 33.44 C ATOM 710 CE LYS A 45 -9.596 6.071 0.761 1.00 21.50 C ATOM 711 NZ LYS A 45 -9.591 4.592 0.936 1.00 73.31 N ATOM 0 H LYS A 45 -5.302 7.258 -1.001 1.00 10.03 H new ATOM 0 HA LYS A 45 -7.098 8.961 -2.370 1.00 51.33 H new ATOM 0 HB2 LYS A 45 -7.073 7.745 0.417 1.00 41.42 H new ATOM 0 HB3 LYS A 45 -8.428 8.662 -0.210 1.00 41.42 H new ATOM 0 HG2 LYS A 45 -8.117 6.891 -2.244 1.00 10.31 H new ATOM 0 HG3 LYS A 45 -7.489 5.924 -0.924 1.00 10.31 H new ATOM 0 HD2 LYS A 45 -10.181 7.345 -0.866 1.00 33.44 H new ATOM 0 HD3 LYS A 45 -9.968 5.664 -1.315 1.00 33.44 H new ATOM 0 HE2 LYS A 45 -8.739 6.501 1.279 1.00 21.50 H new ATOM 0 HE3 LYS A 45 -10.490 6.488 1.224 1.00 21.50 H new ATOM 0 HZ1 LYS A 45 -9.621 4.362 1.950 1.00 73.31 H new ATOM 0 HZ2 LYS A 45 -10.423 4.184 0.464 1.00 73.31 H new ATOM 0 HZ3 LYS A 45 -8.726 4.196 0.517 1.00 73.31 H new ATOM 725 N GLU A 46 -5.401 10.273 0.110 1.00 44.00 N ATOM 726 CA GLU A 46 -5.058 11.529 0.767 1.00 54.23 C ATOM 727 C GLU A 46 -4.102 12.350 -0.094 1.00 11.02 C ATOM 728 O GLU A 46 -4.165 13.580 -0.112 1.00 35.21 O ATOM 729 CB GLU A 46 -4.428 11.260 2.135 1.00 62.04 C ATOM 730 CG GLU A 46 -5.120 11.984 3.277 1.00 31.11 C ATOM 731 CD GLU A 46 -4.199 12.228 4.457 1.00 61.05 C ATOM 732 OE1 GLU A 46 -3.361 11.348 4.746 1.00 35.15 O ATOM 733 OE2 GLU A 46 -4.315 13.298 5.089 1.00 12.04 O ATOM 0 H GLU A 46 -4.826 9.479 0.391 1.00 44.00 H new ATOM 0 HA GLU A 46 -5.976 12.100 0.905 1.00 54.23 H new ATOM 0 HB2 GLU A 46 -4.448 10.188 2.330 1.00 62.04 H new ATOM 0 HB3 GLU A 46 -3.380 11.559 2.108 1.00 62.04 H new ATOM 0 HG2 GLU A 46 -5.504 12.939 2.917 1.00 31.11 H new ATOM 0 HG3 GLU A 46 -5.979 11.399 3.606 1.00 31.11 H new ATOM 740 N HIS A 47 -3.216 11.661 -0.806 1.00 21.24 N ATOM 741 CA HIS A 47 -2.246 12.325 -1.669 1.00 3.14 C ATOM 742 C HIS A 47 -2.922 12.885 -2.916 1.00 72.03 C ATOM 743 O HIS A 47 -2.623 13.997 -3.351 1.00 4.42 O ATOM 744 CB HIS A 47 -1.137 11.352 -2.069 1.00 22.41 C ATOM 745 CG HIS A 47 0.142 12.027 -2.458 1.00 0.44 C ATOM 746 ND1 HIS A 47 0.477 12.310 -3.765 1.00 74.01 N ATOM 747 CD2 HIS A 47 1.170 12.479 -1.702 1.00 20.13 C ATOM 748 CE1 HIS A 47 1.656 12.904 -3.797 1.00 11.52 C ATOM 749 NE2 HIS A 47 2.098 13.019 -2.557 1.00 41.45 N ATOM 0 H HIS A 47 -3.150 10.643 -0.802 1.00 21.24 H new ATOM 0 HA HIS A 47 -1.808 13.153 -1.112 1.00 3.14 H new ATOM 0 HB2 HIS A 47 -0.942 10.675 -1.238 1.00 22.41 H new ATOM 0 HB3 HIS A 47 -1.484 10.742 -2.903 1.00 22.41 H new ATOM 0 HD2 HIS A 47 1.246 12.425 -0.626 1.00 20.13 H new ATOM 0 HE1 HIS A 47 2.171 13.239 -4.685 1.00 11.52 H new ATOM 0 HE2 HIS A 47 2.985 13.441 -2.280 1.00 41.45 H new ATOM 757 N TYR A 48 -3.835 12.107 -3.488 1.00 45.01 N ATOM 758 CA TYR A 48 -4.551 12.524 -4.688 1.00 20.24 C ATOM 759 C TYR A 48 -5.196 13.892 -4.489 1.00 51.01 C ATOM 760 O TYR A 48 -5.456 14.613 -5.452 1.00 24.11 O ATOM 761 CB TYR A 48 -5.619 11.492 -5.053 1.00 54.13 C ATOM 762 CG TYR A 48 -5.120 10.406 -5.979 1.00 73.30 C ATOM 763 CD1 TYR A 48 -6.004 9.673 -6.762 1.00 50.32 C ATOM 764 CD2 TYR A 48 -3.766 10.111 -6.070 1.00 23.01 C ATOM 765 CE1 TYR A 48 -5.553 8.679 -7.609 1.00 41.30 C ATOM 766 CE2 TYR A 48 -3.305 9.120 -6.915 1.00 34.21 C ATOM 767 CZ TYR A 48 -4.203 8.407 -7.682 1.00 62.32 C ATOM 768 OH TYR A 48 -3.748 7.418 -8.524 1.00 74.41 O ATOM 0 H TYR A 48 -4.096 11.185 -3.140 1.00 45.01 H new ATOM 0 HA TYR A 48 -3.832 12.597 -5.504 1.00 20.24 H new ATOM 0 HB2 TYR A 48 -5.997 11.033 -4.139 1.00 54.13 H new ATOM 0 HB3 TYR A 48 -6.459 12.002 -5.524 1.00 54.13 H new ATOM 0 HD1 TYR A 48 -7.062 9.884 -6.707 1.00 50.32 H new ATOM 0 HD2 TYR A 48 -3.061 10.666 -5.469 1.00 23.01 H new ATOM 0 HE1 TYR A 48 -6.253 8.118 -8.210 1.00 41.30 H new ATOM 0 HE2 TYR A 48 -2.248 8.905 -6.975 1.00 34.21 H new ATOM 0 HH TYR A 48 -4.248 7.449 -9.366 1.00 74.41 H new ATOM 778 N GLU A 49 -5.451 14.242 -3.232 1.00 73.03 N ATOM 779 CA GLU A 49 -6.066 15.523 -2.907 1.00 12.53 C ATOM 780 C GLU A 49 -5.187 16.682 -3.370 1.00 35.11 C ATOM 781 O GLU A 49 -5.655 17.811 -3.517 1.00 12.33 O ATOM 782 CB GLU A 49 -6.314 15.627 -1.400 1.00 42.43 C ATOM 783 CG GLU A 49 -7.389 14.681 -0.893 1.00 61.14 C ATOM 784 CD GLU A 49 -8.029 15.161 0.394 1.00 12.34 C ATOM 785 OE1 GLU A 49 -9.135 15.739 0.327 1.00 5.01 O ATOM 786 OE2 GLU A 49 -7.426 14.960 1.469 1.00 43.22 O ATOM 0 H GLU A 49 -5.241 13.657 -2.423 1.00 73.03 H new ATOM 0 HA GLU A 49 -7.020 15.582 -3.430 1.00 12.53 H new ATOM 0 HB2 GLU A 49 -5.383 15.421 -0.872 1.00 42.43 H new ATOM 0 HB3 GLU A 49 -6.599 16.651 -1.157 1.00 42.43 H new ATOM 0 HG2 GLU A 49 -8.158 14.569 -1.657 1.00 61.14 H new ATOM 0 HG3 GLU A 49 -6.953 13.695 -0.732 1.00 61.14 H new ATOM 793 N LYS A 50 -3.911 16.394 -3.598 1.00 63.43 N ATOM 794 CA LYS A 50 -2.965 17.409 -4.045 1.00 63.04 C ATOM 795 C LYS A 50 -3.034 17.588 -5.559 1.00 0.44 C ATOM 796 O LYS A 50 -2.656 18.634 -6.088 1.00 12.03 O ATOM 797 CB LYS A 50 -1.542 17.028 -3.631 1.00 63.51 C ATOM 798 CG LYS A 50 -0.871 18.058 -2.739 1.00 33.44 C ATOM 799 CD LYS A 50 0.609 17.765 -2.564 1.00 23.54 C ATOM 800 CE LYS A 50 1.390 19.024 -2.221 1.00 1.03 C ATOM 801 NZ LYS A 50 2.511 18.743 -1.281 1.00 52.41 N ATOM 0 H LYS A 50 -3.507 15.465 -3.480 1.00 63.43 H new ATOM 0 HA LYS A 50 -3.234 18.353 -3.572 1.00 63.04 H new ATOM 0 HB2 LYS A 50 -1.568 16.071 -3.110 1.00 63.51 H new ATOM 0 HB3 LYS A 50 -0.938 16.887 -4.527 1.00 63.51 H new ATOM 0 HG2 LYS A 50 -0.998 19.051 -3.170 1.00 33.44 H new ATOM 0 HG3 LYS A 50 -1.358 18.069 -1.764 1.00 33.44 H new ATOM 0 HD2 LYS A 50 0.744 17.026 -1.774 1.00 23.54 H new ATOM 0 HD3 LYS A 50 1.005 17.328 -3.481 1.00 23.54 H new ATOM 0 HE2 LYS A 50 1.785 19.467 -3.135 1.00 1.03 H new ATOM 0 HE3 LYS A 50 0.718 19.758 -1.776 1.00 1.03 H new ATOM 0 HZ1 LYS A 50 3.019 19.626 -1.072 1.00 52.41 H new ATOM 0 HZ2 LYS A 50 2.132 18.344 -0.398 1.00 52.41 H new ATOM 0 HZ3 LYS A 50 3.166 18.062 -1.715 1.00 52.41 H new ATOM 815 N PHE A 51 -3.520 16.563 -6.250 1.00 31.11 N ATOM 816 CA PHE A 51 -3.639 16.608 -7.703 1.00 34.15 C ATOM 817 C PHE A 51 -4.906 17.349 -8.122 1.00 22.15 C ATOM 818 O PHE A 51 -4.863 18.242 -8.967 1.00 73.20 O ATOM 819 CB PHE A 51 -3.650 15.191 -8.279 1.00 21.42 C ATOM 820 CG PHE A 51 -2.920 15.069 -9.586 1.00 4.43 C ATOM 821 CD1 PHE A 51 -3.381 15.725 -10.716 1.00 21.13 C ATOM 822 CD2 PHE A 51 -1.772 14.299 -9.684 1.00 42.31 C ATOM 823 CE1 PHE A 51 -2.711 15.616 -11.920 1.00 30.21 C ATOM 824 CE2 PHE A 51 -1.098 14.187 -10.885 1.00 65.13 C ATOM 825 CZ PHE A 51 -1.568 14.845 -12.005 1.00 33.12 C ATOM 0 H PHE A 51 -3.838 15.691 -5.828 1.00 31.11 H new ATOM 0 HA PHE A 51 -2.777 17.146 -8.097 1.00 34.15 H new ATOM 0 HB2 PHE A 51 -3.201 14.510 -7.556 1.00 21.42 H new ATOM 0 HB3 PHE A 51 -4.683 14.872 -8.418 1.00 21.42 H new ATOM 0 HD1 PHE A 51 -4.274 16.329 -10.655 1.00 21.13 H new ATOM 0 HD2 PHE A 51 -1.400 13.781 -8.812 1.00 42.31 H new ATOM 0 HE1 PHE A 51 -3.081 16.133 -12.793 1.00 30.21 H new ATOM 0 HE2 PHE A 51 -0.204 13.585 -10.948 1.00 65.13 H new ATOM 0 HZ PHE A 51 -1.043 14.757 -12.945 1.00 33.12 H new ATOM 835 N GLU A 52 -6.031 16.970 -7.523 1.00 51.25 N ATOM 836 CA GLU A 52 -7.310 17.598 -7.836 1.00 22.33 C ATOM 837 C GLU A 52 -7.209 19.117 -7.737 1.00 2.12 C ATOM 838 O GLU A 52 -7.695 19.841 -8.606 1.00 3.32 O ATOM 839 CB GLU A 52 -8.399 17.085 -6.891 1.00 3.43 C ATOM 840 CG GLU A 52 -7.920 16.885 -5.463 1.00 33.15 C ATOM 841 CD GLU A 52 -8.903 17.417 -4.438 1.00 11.41 C ATOM 842 OE1 GLU A 52 -10.102 17.082 -4.537 1.00 31.14 O ATOM 843 OE2 GLU A 52 -8.474 18.169 -3.538 1.00 41.20 O ATOM 0 H GLU A 52 -6.083 16.233 -6.820 1.00 51.25 H new ATOM 0 HA GLU A 52 -7.574 17.335 -8.860 1.00 22.33 H new ATOM 0 HB2 GLU A 52 -9.230 17.790 -6.891 1.00 3.43 H new ATOM 0 HB3 GLU A 52 -8.783 16.139 -7.272 1.00 3.43 H new ATOM 0 HG2 GLU A 52 -7.754 15.823 -5.285 1.00 33.15 H new ATOM 0 HG3 GLU A 52 -6.960 17.384 -5.333 1.00 33.15 H new ATOM 850 N LYS A 53 -6.575 19.594 -6.671 1.00 25.21 N ATOM 851 CA LYS A 53 -6.408 21.026 -6.456 1.00 42.34 C ATOM 852 C LYS A 53 -5.795 21.693 -7.684 1.00 74.22 C ATOM 853 O LYS A 53 -6.085 22.851 -7.982 1.00 51.13 O ATOM 854 CB LYS A 53 -5.526 21.280 -5.232 1.00 3.21 C ATOM 855 CG LYS A 53 -6.294 21.295 -3.922 1.00 2.54 C ATOM 856 CD LYS A 53 -5.363 21.462 -2.732 1.00 34.33 C ATOM 857 CE LYS A 53 -5.451 22.863 -2.147 1.00 52.10 C ATOM 858 NZ LYS A 53 -4.619 23.005 -0.920 1.00 54.20 N ATOM 0 H LYS A 53 -6.168 19.008 -5.942 1.00 25.21 H new ATOM 0 HA LYS A 53 -7.393 21.459 -6.282 1.00 42.34 H new ATOM 0 HB2 LYS A 53 -4.756 20.510 -5.183 1.00 3.21 H new ATOM 0 HB3 LYS A 53 -5.015 22.235 -5.355 1.00 3.21 H new ATOM 0 HG2 LYS A 53 -7.020 22.108 -3.934 1.00 2.54 H new ATOM 0 HG3 LYS A 53 -6.856 20.367 -3.818 1.00 2.54 H new ATOM 0 HD2 LYS A 53 -5.616 20.730 -1.965 1.00 34.33 H new ATOM 0 HD3 LYS A 53 -4.337 21.259 -3.040 1.00 34.33 H new ATOM 0 HE2 LYS A 53 -5.126 23.589 -2.892 1.00 52.10 H new ATOM 0 HE3 LYS A 53 -6.490 23.093 -1.910 1.00 52.10 H new ATOM 0 HZ1 LYS A 53 -4.706 23.974 -0.552 1.00 54.20 H new ATOM 0 HZ2 LYS A 53 -4.945 22.330 -0.199 1.00 54.20 H new ATOM 0 HZ3 LYS A 53 -3.624 22.811 -1.151 1.00 54.20 H new ATOM 872 N MET A 54 -4.949 20.953 -8.393 1.00 71.01 N ATOM 873 CA MET A 54 -4.298 21.473 -9.590 1.00 75.54 C ATOM 874 C MET A 54 -5.290 21.581 -10.744 1.00 52.42 C ATOM 875 O MET A 54 -5.198 22.490 -11.570 1.00 12.20 O ATOM 876 CB MET A 54 -3.128 20.573 -9.992 1.00 21.12 C ATOM 877 CG MET A 54 -1.775 21.261 -9.906 1.00 53.22 C ATOM 878 SD MET A 54 -0.741 20.599 -8.586 1.00 33.02 S ATOM 879 CE MET A 54 0.033 22.096 -7.979 1.00 34.23 C ATOM 0 H MET A 54 -4.698 19.992 -8.160 1.00 71.01 H new ATOM 0 HA MET A 54 -3.920 22.470 -9.364 1.00 75.54 H new ATOM 0 HB2 MET A 54 -3.120 19.692 -9.350 1.00 21.12 H new ATOM 0 HB3 MET A 54 -3.284 20.222 -11.012 1.00 21.12 H new ATOM 0 HG2 MET A 54 -1.256 21.152 -10.858 1.00 53.22 H new ATOM 0 HG3 MET A 54 -1.924 22.329 -9.744 1.00 53.22 H new ATOM 0 HE1 MET A 54 0.705 21.850 -7.157 1.00 34.23 H new ATOM 0 HE2 MET A 54 0.600 22.564 -8.783 1.00 34.23 H new ATOM 0 HE3 MET A 54 -0.734 22.785 -7.627 1.00 34.23 H new ATOM 889 N ILE A 55 -6.237 20.650 -10.795 1.00 5.10 N ATOM 890 CA ILE A 55 -7.245 20.643 -11.847 1.00 50.04 C ATOM 891 C ILE A 55 -7.990 21.972 -11.904 1.00 11.33 C ATOM 892 O ILE A 55 -7.911 22.697 -12.895 1.00 3.31 O ATOM 893 CB ILE A 55 -8.263 19.505 -11.644 1.00 42.12 C ATOM 894 CG1 ILE A 55 -7.542 18.160 -11.537 1.00 22.23 C ATOM 895 CG2 ILE A 55 -9.268 19.484 -12.786 1.00 32.32 C ATOM 896 CD1 ILE A 55 -8.470 16.997 -11.267 1.00 33.45 C ATOM 0 H ILE A 55 -6.327 19.891 -10.120 1.00 5.10 H new ATOM 0 HA ILE A 55 -6.718 20.484 -12.788 1.00 50.04 H new ATOM 0 HB ILE A 55 -8.803 19.682 -10.714 1.00 42.12 H new ATOM 0 HG12 ILE A 55 -6.999 17.973 -12.463 1.00 22.23 H new ATOM 0 HG13 ILE A 55 -6.802 18.216 -10.739 1.00 22.23 H new ATOM 0 HG21 ILE A 55 -9.981 18.675 -12.629 1.00 32.32 H new ATOM 0 HG22 ILE A 55 -9.800 20.435 -12.820 1.00 32.32 H new ATOM 0 HG23 ILE A 55 -8.744 19.328 -13.729 1.00 32.32 H new ATOM 0 HD11 ILE A 55 -7.890 16.076 -11.204 1.00 33.45 H new ATOM 0 HD12 ILE A 55 -8.995 17.161 -10.326 1.00 33.45 H new ATOM 0 HD13 ILE A 55 -9.195 16.914 -12.077 1.00 33.45 H new ATOM 908 N GLN A 56 -8.712 22.286 -10.833 1.00 20.44 N ATOM 909 CA GLN A 56 -9.470 23.529 -10.760 1.00 74.11 C ATOM 910 C GLN A 56 -8.540 24.737 -10.792 1.00 21.21 C ATOM 911 O GLN A 56 -8.976 25.861 -11.035 1.00 13.43 O ATOM 912 CB GLN A 56 -10.321 23.559 -9.489 1.00 60.31 C ATOM 913 CG GLN A 56 -11.293 22.395 -9.380 1.00 52.23 C ATOM 914 CD GLN A 56 -11.922 22.287 -8.005 1.00 23.40 C ATOM 915 OE1 GLN A 56 -12.094 23.287 -7.308 1.00 20.23 O ATOM 916 NE2 GLN A 56 -12.269 21.068 -7.607 1.00 4.21 N ATOM 0 H GLN A 56 -8.788 21.697 -10.004 1.00 20.44 H new ATOM 0 HA GLN A 56 -10.126 23.576 -11.629 1.00 74.11 H new ATOM 0 HB2 GLN A 56 -9.662 23.554 -8.621 1.00 60.31 H new ATOM 0 HB3 GLN A 56 -10.881 24.493 -9.459 1.00 60.31 H new ATOM 0 HG2 GLN A 56 -12.079 22.511 -10.127 1.00 52.23 H new ATOM 0 HG3 GLN A 56 -10.770 21.467 -9.610 1.00 52.23 H new ATOM 0 HE21 GLN A 56 -12.108 20.267 -8.218 1.00 4.21 H new ATOM 0 HE22 GLN A 56 -12.697 20.933 -6.691 1.00 4.21 H new ATOM 925 N GLU A 57 -7.256 24.495 -10.545 1.00 12.53 N ATOM 926 CA GLU A 57 -6.265 25.565 -10.544 1.00 61.11 C ATOM 927 C GLU A 57 -6.010 26.071 -11.961 1.00 12.51 C ATOM 928 O GLU A 57 -5.923 27.277 -12.195 1.00 0.42 O ATOM 929 CB GLU A 57 -4.955 25.076 -9.922 1.00 51.13 C ATOM 930 CG GLU A 57 -4.545 25.849 -8.680 1.00 50.43 C ATOM 931 CD GLU A 57 -3.386 25.203 -7.946 1.00 74.44 C ATOM 932 OE1 GLU A 57 -2.233 25.369 -8.396 1.00 51.10 O ATOM 933 OE2 GLU A 57 -3.632 24.530 -6.924 1.00 15.25 O ATOM 0 H GLU A 57 -6.878 23.569 -10.343 1.00 12.53 H new ATOM 0 HA GLU A 57 -6.657 26.389 -9.947 1.00 61.11 H new ATOM 0 HB2 GLU A 57 -5.056 24.021 -9.666 1.00 51.13 H new ATOM 0 HB3 GLU A 57 -4.160 25.150 -10.664 1.00 51.13 H new ATOM 0 HG2 GLU A 57 -4.270 26.865 -8.963 1.00 50.43 H new ATOM 0 HG3 GLU A 57 -5.399 25.926 -8.007 1.00 50.43 H new ATOM 940 N HIS A 58 -5.891 25.141 -12.903 1.00 52.41 N ATOM 941 CA HIS A 58 -5.646 25.493 -14.297 1.00 74.35 C ATOM 942 C HIS A 58 -5.303 24.253 -15.118 1.00 3.02 C ATOM 943 O HIS A 58 -5.614 24.176 -16.307 1.00 23.11 O ATOM 944 CB HIS A 58 -4.513 26.514 -14.397 1.00 12.34 C ATOM 945 CG HIS A 58 -4.963 27.864 -14.866 1.00 64.43 C ATOM 946 ND1 HIS A 58 -5.800 28.044 -15.947 1.00 44.02 N ATOM 947 CD2 HIS A 58 -4.688 29.102 -14.394 1.00 51.11 C ATOM 948 CE1 HIS A 58 -6.019 29.335 -16.121 1.00 11.14 C ATOM 949 NE2 HIS A 58 -5.356 29.999 -15.191 1.00 13.01 N ATOM 0 H HIS A 58 -5.960 24.139 -12.727 1.00 52.41 H new ATOM 0 HA HIS A 58 -6.558 25.934 -14.700 1.00 74.35 H new ATOM 0 HB2 HIS A 58 -4.040 26.617 -13.420 1.00 12.34 H new ATOM 0 HB3 HIS A 58 -3.753 26.136 -15.081 1.00 12.34 H new ATOM 0 HD2 HIS A 58 -4.060 29.340 -13.548 1.00 51.11 H new ATOM 0 HE1 HIS A 58 -6.635 29.773 -16.892 1.00 11.14 H new ATOM 0 HE2 HIS A 58 -5.342 31.013 -15.083 1.00 13.01 H new ATOM 957 N THR A 59 -4.658 23.284 -14.475 1.00 73.22 N ATOM 958 CA THR A 59 -4.271 22.049 -15.145 1.00 64.02 C ATOM 959 C THR A 59 -5.472 21.380 -15.804 1.00 3.40 C ATOM 960 O THR A 59 -5.320 20.583 -16.729 1.00 60.42 O ATOM 961 CB THR A 59 -3.620 21.057 -14.162 1.00 73.14 C ATOM 962 OG1 THR A 59 -4.632 20.380 -13.408 1.00 50.13 O ATOM 963 CG2 THR A 59 -2.671 21.776 -13.216 1.00 12.40 C ATOM 0 H THR A 59 -4.393 23.331 -13.491 1.00 73.22 H new ATOM 0 HA THR A 59 -3.545 22.320 -15.911 1.00 64.02 H new ATOM 0 HB THR A 59 -3.049 20.329 -14.739 1.00 73.14 H new ATOM 0 HG1 THR A 59 -4.227 19.642 -12.905 1.00 50.13 H new ATOM 0 HG21 THR A 59 -2.224 21.055 -12.532 1.00 12.40 H new ATOM 0 HG22 THR A 59 -1.885 22.266 -13.791 1.00 12.40 H new ATOM 0 HG23 THR A 59 -3.223 22.523 -12.646 1.00 12.40 H new ATOM 971 N ASP A 60 -6.665 21.711 -15.322 1.00 42.24 N ATOM 972 CA ASP A 60 -7.893 21.144 -15.866 1.00 70.43 C ATOM 973 C ASP A 60 -7.898 21.218 -17.390 1.00 10.50 C ATOM 974 O ASP A 60 -8.179 20.231 -18.070 1.00 42.31 O ATOM 975 CB ASP A 60 -9.112 21.877 -15.303 1.00 63.53 C ATOM 976 CG ASP A 60 -10.365 21.627 -16.119 1.00 32.12 C ATOM 977 OD1 ASP A 60 -10.924 22.603 -16.662 1.00 60.34 O ATOM 978 OD2 ASP A 60 -10.787 20.456 -16.214 1.00 61.51 O ATOM 0 H ASP A 60 -6.807 22.369 -14.556 1.00 42.24 H new ATOM 0 HA ASP A 60 -7.941 20.096 -15.571 1.00 70.43 H new ATOM 0 HB2 ASP A 60 -9.282 21.558 -14.275 1.00 63.53 H new ATOM 0 HB3 ASP A 60 -8.908 22.947 -15.275 1.00 63.53 H new ATOM 983 N LYS A 61 -7.587 22.396 -17.920 1.00 44.24 N ATOM 984 CA LYS A 61 -7.555 22.602 -19.364 1.00 25.54 C ATOM 985 C LYS A 61 -6.393 21.841 -19.996 1.00 10.33 C ATOM 986 O LYS A 61 -6.531 21.262 -21.073 1.00 64.51 O ATOM 987 CB LYS A 61 -7.437 24.093 -19.685 1.00 4.23 C ATOM 988 CG LYS A 61 -7.170 24.380 -21.152 1.00 41.12 C ATOM 989 CD LYS A 61 -8.318 23.910 -22.030 1.00 23.01 C ATOM 990 CE LYS A 61 -8.248 24.529 -23.417 1.00 54.43 C ATOM 991 NZ LYS A 61 -9.220 25.647 -23.575 1.00 3.22 N ATOM 0 H LYS A 61 -7.353 23.223 -17.371 1.00 44.24 H new ATOM 0 HA LYS A 61 -8.487 22.220 -19.781 1.00 25.54 H new ATOM 0 HB2 LYS A 61 -8.358 24.594 -19.387 1.00 4.23 H new ATOM 0 HB3 LYS A 61 -6.633 24.522 -19.087 1.00 4.23 H new ATOM 0 HG2 LYS A 61 -7.018 25.450 -21.292 1.00 41.12 H new ATOM 0 HG3 LYS A 61 -6.249 23.884 -21.459 1.00 41.12 H new ATOM 0 HD2 LYS A 61 -8.292 22.824 -22.114 1.00 23.01 H new ATOM 0 HD3 LYS A 61 -9.267 24.171 -21.561 1.00 23.01 H new ATOM 0 HE2 LYS A 61 -7.238 24.897 -23.600 1.00 54.43 H new ATOM 0 HE3 LYS A 61 -8.449 23.764 -24.167 1.00 54.43 H new ATOM 0 HZ1 LYS A 61 -9.141 26.043 -24.534 1.00 3.22 H new ATOM 0 HZ2 LYS A 61 -10.186 25.291 -23.425 1.00 3.22 H new ATOM 0 HZ3 LYS A 61 -9.012 26.389 -22.876 1.00 3.22 H new ATOM 1005 N PHE A 62 -5.250 21.847 -19.318 1.00 62.42 N ATOM 1006 CA PHE A 62 -4.064 21.157 -19.814 1.00 33.24 C ATOM 1007 C PHE A 62 -4.337 19.666 -19.990 1.00 63.21 C ATOM 1008 O PHE A 62 -3.964 19.071 -21.000 1.00 45.34 O ATOM 1009 CB PHE A 62 -2.890 21.362 -18.854 1.00 54.21 C ATOM 1010 CG PHE A 62 -1.548 21.259 -19.519 1.00 5.20 C ATOM 1011 CD1 PHE A 62 -1.292 21.934 -20.701 1.00 44.45 C ATOM 1012 CD2 PHE A 62 -0.541 20.487 -18.962 1.00 33.43 C ATOM 1013 CE1 PHE A 62 -0.057 21.842 -21.316 1.00 22.02 C ATOM 1014 CE2 PHE A 62 0.695 20.391 -19.571 1.00 64.22 C ATOM 1015 CZ PHE A 62 0.938 21.068 -20.750 1.00 54.23 C ATOM 0 H PHE A 62 -5.120 22.321 -18.424 1.00 62.42 H new ATOM 0 HA PHE A 62 -3.808 21.579 -20.786 1.00 33.24 H new ATOM 0 HB2 PHE A 62 -2.981 22.342 -18.386 1.00 54.21 H new ATOM 0 HB3 PHE A 62 -2.949 20.621 -18.057 1.00 54.21 H new ATOM 0 HD1 PHE A 62 -2.067 22.540 -21.148 1.00 44.45 H new ATOM 0 HD2 PHE A 62 -0.725 19.954 -18.041 1.00 33.43 H new ATOM 0 HE1 PHE A 62 0.130 22.374 -22.237 1.00 22.02 H new ATOM 0 HE2 PHE A 62 1.471 19.787 -19.125 1.00 64.22 H new ATOM 0 HZ PHE A 62 1.903 20.993 -21.228 1.00 54.23 H new ATOM 1025 N ASN A 63 -4.989 19.068 -18.999 1.00 15.25 N ATOM 1026 CA ASN A 63 -5.311 17.646 -19.043 1.00 12.42 C ATOM 1027 C ASN A 63 -6.051 17.296 -20.330 1.00 62.23 C ATOM 1028 O ASN A 63 -6.044 16.146 -20.770 1.00 70.12 O ATOM 1029 CB ASN A 63 -6.160 17.256 -17.831 1.00 54.52 C ATOM 1030 CG ASN A 63 -6.614 15.810 -17.884 1.00 40.44 C ATOM 1031 OD1 ASN A 63 -5.845 14.920 -18.248 1.00 13.12 O ATOM 1032 ND2 ASN A 63 -7.869 15.570 -17.521 1.00 44.35 N ATOM 0 H ASN A 63 -5.305 19.546 -18.155 1.00 15.25 H new ATOM 0 HA ASN A 63 -4.376 17.086 -19.018 1.00 12.42 H new ATOM 0 HB2 ASN A 63 -5.585 17.420 -16.920 1.00 54.52 H new ATOM 0 HB3 ASN A 63 -7.033 17.906 -17.778 1.00 54.52 H new ATOM 0 HD21 ASN A 63 -8.231 14.617 -17.537 1.00 44.35 H new ATOM 0 HD22 ASN A 63 -8.471 16.339 -17.226 1.00 44.35 H new ATOM 1039 N LYS A 64 -6.688 18.295 -20.931 1.00 11.21 N ATOM 1040 CA LYS A 64 -7.431 18.095 -22.169 1.00 54.02 C ATOM 1041 C LYS A 64 -6.502 18.157 -23.377 1.00 55.04 C ATOM 1042 O LYS A 64 -6.746 17.508 -24.395 1.00 23.42 O ATOM 1043 CB LYS A 64 -8.532 19.150 -22.304 1.00 22.02 C ATOM 1044 CG LYS A 64 -9.936 18.581 -22.195 1.00 51.43 C ATOM 1045 CD LYS A 64 -10.825 19.454 -21.326 1.00 13.15 C ATOM 1046 CE LYS A 64 -12.065 18.702 -20.865 1.00 4.45 C ATOM 1047 NZ LYS A 64 -13.021 19.594 -20.151 1.00 62.23 N ATOM 0 H LYS A 64 -6.704 19.253 -20.580 1.00 11.21 H new ATOM 0 HA LYS A 64 -7.887 17.106 -22.134 1.00 54.02 H new ATOM 0 HB2 LYS A 64 -8.395 19.907 -21.532 1.00 22.02 H new ATOM 0 HB3 LYS A 64 -8.426 19.652 -23.265 1.00 22.02 H new ATOM 0 HG2 LYS A 64 -10.372 18.493 -23.190 1.00 51.43 H new ATOM 0 HG3 LYS A 64 -9.891 17.576 -21.776 1.00 51.43 H new ATOM 0 HD2 LYS A 64 -10.263 19.797 -20.458 1.00 13.15 H new ATOM 0 HD3 LYS A 64 -11.123 20.342 -21.884 1.00 13.15 H new ATOM 0 HE2 LYS A 64 -12.560 18.255 -21.727 1.00 4.45 H new ATOM 0 HE3 LYS A 64 -11.770 17.884 -20.207 1.00 4.45 H new ATOM 0 HZ1 LYS A 64 -13.852 19.044 -19.853 1.00 62.23 H new ATOM 0 HZ2 LYS A 64 -12.557 20.001 -19.314 1.00 62.23 H new ATOM 0 HZ3 LYS A 64 -13.322 20.360 -20.787 1.00 62.23 H new ATOM 1061 N LYS A 65 -5.436 18.941 -23.259 1.00 13.03 N ATOM 1062 CA LYS A 65 -4.469 19.086 -24.340 1.00 4.24 C ATOM 1063 C LYS A 65 -3.454 17.948 -24.318 1.00 23.42 C ATOM 1064 O LYS A 65 -3.232 17.282 -25.329 1.00 41.30 O ATOM 1065 CB LYS A 65 -3.745 20.430 -24.227 1.00 54.23 C ATOM 1066 CG LYS A 65 -4.596 21.529 -23.613 1.00 64.11 C ATOM 1067 CD LYS A 65 -5.873 21.753 -24.404 1.00 53.54 C ATOM 1068 CE LYS A 65 -5.580 22.293 -25.796 1.00 4.02 C ATOM 1069 NZ LYS A 65 -6.187 21.446 -26.859 1.00 34.21 N ATOM 0 H LYS A 65 -5.220 19.486 -22.425 1.00 13.03 H new ATOM 0 HA LYS A 65 -5.010 19.049 -25.285 1.00 4.24 H new ATOM 0 HB2 LYS A 65 -2.846 20.299 -23.625 1.00 54.23 H new ATOM 0 HB3 LYS A 65 -3.422 20.744 -25.220 1.00 54.23 H new ATOM 0 HG2 LYS A 65 -4.845 21.266 -22.585 1.00 64.11 H new ATOM 0 HG3 LYS A 65 -4.023 22.456 -23.575 1.00 64.11 H new ATOM 0 HD2 LYS A 65 -6.421 20.814 -24.485 1.00 53.54 H new ATOM 0 HD3 LYS A 65 -6.515 22.453 -23.869 1.00 53.54 H new ATOM 0 HE2 LYS A 65 -5.963 23.310 -25.879 1.00 4.02 H new ATOM 0 HE3 LYS A 65 -4.502 22.346 -25.945 1.00 4.02 H new ATOM 0 HZ1 LYS A 65 -5.964 21.848 -27.792 1.00 34.21 H new ATOM 0 HZ2 LYS A 65 -5.802 20.482 -26.796 1.00 34.21 H new ATOM 0 HZ3 LYS A 65 -7.219 21.416 -26.732 1.00 34.21 H new ATOM 1083 N MET A 66 -2.842 17.729 -23.159 1.00 22.54 N ATOM 1084 CA MET A 66 -1.853 16.668 -23.006 1.00 5.04 C ATOM 1085 C MET A 66 -2.494 15.296 -23.188 1.00 44.04 C ATOM 1086 O MET A 66 -1.799 14.291 -23.339 1.00 3.01 O ATOM 1087 CB MET A 66 -1.189 16.755 -21.630 1.00 32.33 C ATOM 1088 CG MET A 66 -0.388 18.029 -21.421 1.00 11.55 C ATOM 1089 SD MET A 66 1.023 18.154 -22.537 1.00 14.35 S ATOM 1090 CE MET A 66 0.389 19.303 -23.756 1.00 0.11 C ATOM 0 H MET A 66 -3.013 18.272 -22.312 1.00 22.54 H new ATOM 0 HA MET A 66 -1.094 16.800 -23.777 1.00 5.04 H new ATOM 0 HB2 MET A 66 -1.958 16.689 -20.860 1.00 32.33 H new ATOM 0 HB3 MET A 66 -0.531 15.896 -21.498 1.00 32.33 H new ATOM 0 HG2 MET A 66 -1.039 18.891 -21.567 1.00 11.55 H new ATOM 0 HG3 MET A 66 -0.035 18.067 -20.390 1.00 11.55 H new ATOM 0 HE1 MET A 66 0.660 18.960 -24.755 1.00 0.11 H new ATOM 0 HE2 MET A 66 -0.696 19.358 -23.674 1.00 0.11 H new ATOM 0 HE3 MET A 66 0.817 20.290 -23.582 1.00 0.11 H new ATOM 1100 N ARG A 67 -3.822 15.262 -23.174 1.00 31.11 N ATOM 1101 CA ARG A 67 -4.556 14.013 -23.337 1.00 31.24 C ATOM 1102 C ARG A 67 -4.106 13.278 -24.596 1.00 32.10 C ATOM 1103 O ARG A 67 -4.226 12.057 -24.689 1.00 62.20 O ATOM 1104 CB ARG A 67 -6.060 14.285 -23.402 1.00 30.01 C ATOM 1105 CG ARG A 67 -6.880 13.075 -23.819 1.00 14.31 C ATOM 1106 CD ARG A 67 -8.369 13.388 -23.829 1.00 5.00 C ATOM 1107 NE ARG A 67 -8.739 14.251 -24.948 1.00 21.15 N ATOM 1108 CZ ARG A 67 -9.995 14.532 -25.274 1.00 54.11 C ATOM 1109 NH1 ARG A 67 -10.997 14.022 -24.571 1.00 22.42 N ATOM 1110 NH2 ARG A 67 -10.252 15.326 -26.306 1.00 33.12 N ATOM 0 H ARG A 67 -4.412 16.085 -23.051 1.00 31.11 H new ATOM 0 HA ARG A 67 -4.345 13.382 -22.474 1.00 31.24 H new ATOM 0 HB2 ARG A 67 -6.402 14.626 -22.425 1.00 30.01 H new ATOM 0 HB3 ARG A 67 -6.244 15.098 -24.105 1.00 30.01 H new ATOM 0 HG2 ARG A 67 -6.569 12.748 -24.811 1.00 14.31 H new ATOM 0 HG3 ARG A 67 -6.685 12.249 -23.135 1.00 14.31 H new ATOM 0 HD2 ARG A 67 -8.935 12.458 -23.886 1.00 5.00 H new ATOM 0 HD3 ARG A 67 -8.644 13.872 -22.892 1.00 5.00 H new ATOM 0 HE ARG A 67 -7.992 14.660 -25.509 1.00 21.15 H new ATOM 0 HH11 ARG A 67 -10.804 13.412 -23.777 1.00 22.42 H new ATOM 0 HH12 ARG A 67 -11.961 14.240 -24.824 1.00 22.42 H new ATOM 0 HH21 ARG A 67 -9.484 15.721 -26.849 1.00 33.12 H new ATOM 0 HH22 ARG A 67 -11.217 15.541 -26.556 1.00 33.12 H new ATOM 1124 N GLU A 68 -3.589 14.031 -25.562 1.00 14.12 N ATOM 1125 CA GLU A 68 -3.123 13.451 -26.816 1.00 33.44 C ATOM 1126 C GLU A 68 -2.039 12.407 -26.562 1.00 51.12 C ATOM 1127 O GLU A 68 -1.951 11.402 -27.269 1.00 14.32 O ATOM 1128 CB GLU A 68 -2.587 14.544 -27.742 1.00 14.43 C ATOM 1129 CG GLU A 68 -3.594 15.009 -28.781 1.00 22.00 C ATOM 1130 CD GLU A 68 -3.002 16.001 -29.763 1.00 51.13 C ATOM 1131 OE1 GLU A 68 -2.836 15.636 -30.946 1.00 42.42 O ATOM 1132 OE2 GLU A 68 -2.705 17.141 -29.350 1.00 13.22 O ATOM 0 H GLU A 68 -3.482 15.044 -25.500 1.00 14.12 H new ATOM 0 HA GLU A 68 -3.970 12.962 -27.297 1.00 33.44 H new ATOM 0 HB2 GLU A 68 -2.277 15.399 -27.140 1.00 14.43 H new ATOM 0 HB3 GLU A 68 -1.697 14.173 -28.251 1.00 14.43 H new ATOM 0 HG2 GLU A 68 -3.973 14.145 -29.327 1.00 22.00 H new ATOM 0 HG3 GLU A 68 -4.446 15.466 -28.277 1.00 22.00 H new ATOM 1139 N HIS A 69 -1.214 12.653 -25.549 1.00 54.21 N ATOM 1140 CA HIS A 69 -0.135 11.735 -25.202 1.00 13.54 C ATOM 1141 C HIS A 69 -0.502 10.905 -23.976 1.00 33.43 C ATOM 1142 O HIS A 69 0.245 10.014 -23.571 1.00 74.44 O ATOM 1143 CB HIS A 69 1.157 12.510 -24.939 1.00 34.01 C ATOM 1144 CG HIS A 69 1.581 13.374 -26.086 1.00 54.23 C ATOM 1145 ND1 HIS A 69 2.270 14.557 -25.923 1.00 25.10 N ATOM 1146 CD2 HIS A 69 1.410 13.221 -27.420 1.00 64.24 C ATOM 1147 CE1 HIS A 69 2.505 15.095 -27.107 1.00 34.52 C ATOM 1148 NE2 HIS A 69 1.993 14.303 -28.032 1.00 43.14 N ATOM 0 H HIS A 69 -1.272 13.480 -24.954 1.00 54.21 H new ATOM 0 HA HIS A 69 0.020 11.060 -26.044 1.00 13.54 H new ATOM 0 HB2 HIS A 69 1.023 13.134 -24.055 1.00 34.01 H new ATOM 0 HB3 HIS A 69 1.955 11.803 -24.713 1.00 34.01 H new ATOM 0 HD2 HIS A 69 0.908 12.401 -27.912 1.00 64.24 H new ATOM 0 HE1 HIS A 69 3.026 16.023 -27.287 1.00 34.52 H new ATOM 0 HE2 HIS A 69 2.026 14.468 -29.038 1.00 43.14 H new ATOM 1156 N SER A 70 -1.657 11.203 -23.388 1.00 43.24 N ATOM 1157 CA SER A 70 -2.121 10.487 -22.206 1.00 24.11 C ATOM 1158 C SER A 70 -2.566 9.073 -22.567 1.00 51.12 C ATOM 1159 O SER A 70 -2.846 8.257 -21.690 1.00 75.22 O ATOM 1160 CB SER A 70 -3.274 11.244 -21.545 1.00 1.02 C ATOM 1161 OG SER A 70 -4.471 11.103 -22.291 1.00 24.14 O ATOM 0 H SER A 70 -2.288 11.936 -23.712 1.00 43.24 H new ATOM 0 HA SER A 70 -1.290 10.419 -21.503 1.00 24.11 H new ATOM 0 HB2 SER A 70 -3.426 10.869 -20.533 1.00 1.02 H new ATOM 0 HB3 SER A 70 -3.018 12.300 -21.459 1.00 1.02 H new ATOM 0 HG SER A 70 -4.260 11.087 -23.248 1.00 24.14 H new ATOM 1167 N GLU A 71 -2.629 8.793 -23.865 1.00 65.51 N ATOM 1168 CA GLU A 71 -3.041 7.478 -24.343 1.00 22.12 C ATOM 1169 C GLU A 71 -2.013 6.415 -23.965 1.00 34.24 C ATOM 1170 O GLU A 71 -2.369 5.318 -23.531 1.00 42.30 O ATOM 1171 CB GLU A 71 -3.233 7.500 -25.861 1.00 34.45 C ATOM 1172 CG GLU A 71 -4.632 7.909 -26.291 1.00 1.32 C ATOM 1173 CD GLU A 71 -5.114 7.148 -27.510 1.00 63.52 C ATOM 1174 OE1 GLU A 71 -5.408 7.796 -28.536 1.00 44.22 O ATOM 1175 OE2 GLU A 71 -5.197 5.904 -27.439 1.00 33.23 O ATOM 0 H GLU A 71 -2.400 9.458 -24.604 1.00 65.51 H new ATOM 0 HA GLU A 71 -3.989 7.227 -23.867 1.00 22.12 H new ATOM 0 HB2 GLU A 71 -2.511 8.188 -26.300 1.00 34.45 H new ATOM 0 HB3 GLU A 71 -3.014 6.510 -26.261 1.00 34.45 H new ATOM 0 HG2 GLU A 71 -5.325 7.742 -25.466 1.00 1.32 H new ATOM 0 HG3 GLU A 71 -4.644 8.977 -26.506 1.00 1.32 H new ATOM 1182 N HIS A 72 -0.737 6.747 -24.133 1.00 13.25 N ATOM 1183 CA HIS A 72 0.343 5.822 -23.809 1.00 73.30 C ATOM 1184 C HIS A 72 0.727 5.928 -22.336 1.00 54.33 C ATOM 1185 O HIS A 72 1.304 5.002 -21.766 1.00 54.10 O ATOM 1186 CB HIS A 72 1.562 6.101 -24.688 1.00 4.14 C ATOM 1187 CG HIS A 72 1.928 4.959 -25.585 1.00 43.32 C ATOM 1188 ND1 HIS A 72 1.908 3.643 -25.175 1.00 11.01 N ATOM 1189 CD2 HIS A 72 2.324 4.942 -26.880 1.00 12.35 C ATOM 1190 CE1 HIS A 72 2.277 2.866 -26.177 1.00 73.14 C ATOM 1191 NE2 HIS A 72 2.534 3.630 -27.224 1.00 23.32 N ATOM 0 H HIS A 72 -0.426 7.650 -24.492 1.00 13.25 H new ATOM 0 HA HIS A 72 -0.010 4.809 -24.001 1.00 73.30 H new ATOM 0 HB2 HIS A 72 1.366 6.983 -25.298 1.00 4.14 H new ATOM 0 HB3 HIS A 72 2.413 6.338 -24.050 1.00 4.14 H new ATOM 0 HD2 HIS A 72 2.451 5.801 -27.522 1.00 12.35 H new ATOM 0 HE1 HIS A 72 2.355 1.789 -26.146 1.00 73.14 H new ATOM 0 HE2 HIS A 72 2.839 3.299 -28.139 1.00 23.32 H new ATOM 1199 N PHE A 73 0.403 7.064 -21.726 1.00 64.22 N ATOM 1200 CA PHE A 73 0.716 7.292 -20.320 1.00 41.13 C ATOM 1201 C PHE A 73 -0.325 6.636 -19.418 1.00 52.21 C ATOM 1202 O PHE A 73 0.015 5.914 -18.481 1.00 32.30 O ATOM 1203 CB PHE A 73 0.787 8.792 -20.029 1.00 3.51 C ATOM 1204 CG PHE A 73 1.993 9.462 -20.624 1.00 1.14 C ATOM 1205 CD1 PHE A 73 3.245 8.877 -20.527 1.00 3.15 C ATOM 1206 CD2 PHE A 73 1.874 10.677 -21.279 1.00 63.14 C ATOM 1207 CE1 PHE A 73 4.357 9.490 -21.073 1.00 51.40 C ATOM 1208 CE2 PHE A 73 2.982 11.295 -21.828 1.00 62.42 C ATOM 1209 CZ PHE A 73 4.225 10.701 -21.724 1.00 2.32 C ATOM 0 H PHE A 73 -0.076 7.840 -22.183 1.00 64.22 H new ATOM 0 HA PHE A 73 1.687 6.842 -20.112 1.00 41.13 H new ATOM 0 HB2 PHE A 73 -0.113 9.272 -20.415 1.00 3.51 H new ATOM 0 HB3 PHE A 73 0.792 8.945 -18.950 1.00 3.51 H new ATOM 0 HD1 PHE A 73 3.353 7.930 -20.019 1.00 3.15 H new ATOM 0 HD2 PHE A 73 0.905 11.147 -21.362 1.00 63.14 H new ATOM 0 HE1 PHE A 73 5.327 9.023 -20.991 1.00 51.40 H new ATOM 0 HE2 PHE A 73 2.876 12.241 -22.338 1.00 62.42 H new ATOM 0 HZ PHE A 73 5.092 11.183 -22.151 1.00 2.32 H new ATOM 1219 N LYS A 74 -1.596 6.894 -19.707 1.00 72.13 N ATOM 1220 CA LYS A 74 -2.689 6.329 -18.924 1.00 51.44 C ATOM 1221 C LYS A 74 -2.563 4.812 -18.829 1.00 52.32 C ATOM 1222 O LYS A 74 -3.089 4.193 -17.905 1.00 14.31 O ATOM 1223 CB LYS A 74 -4.036 6.702 -19.548 1.00 70.12 C ATOM 1224 CG LYS A 74 -5.214 5.964 -18.936 1.00 54.43 C ATOM 1225 CD LYS A 74 -5.577 4.727 -19.741 1.00 1.50 C ATOM 1226 CE LYS A 74 -7.019 4.308 -19.499 1.00 23.10 C ATOM 1227 NZ LYS A 74 -7.819 4.323 -20.755 1.00 0.02 N ATOM 0 H LYS A 74 -1.895 7.491 -20.478 1.00 72.13 H new ATOM 0 HA LYS A 74 -2.634 6.744 -17.917 1.00 51.44 H new ATOM 0 HB2 LYS A 74 -4.193 7.775 -19.438 1.00 70.12 H new ATOM 0 HB3 LYS A 74 -4.002 6.493 -20.617 1.00 70.12 H new ATOM 0 HG2 LYS A 74 -4.972 5.675 -17.913 1.00 54.43 H new ATOM 0 HG3 LYS A 74 -6.075 6.631 -18.884 1.00 54.43 H new ATOM 0 HD2 LYS A 74 -5.428 4.926 -20.802 1.00 1.50 H new ATOM 0 HD3 LYS A 74 -4.909 3.908 -19.473 1.00 1.50 H new ATOM 0 HE2 LYS A 74 -7.039 3.307 -19.068 1.00 23.10 H new ATOM 0 HE3 LYS A 74 -7.475 4.978 -18.770 1.00 23.10 H new ATOM 0 HZ1 LYS A 74 -8.796 4.032 -20.548 1.00 0.02 H new ATOM 0 HZ2 LYS A 74 -7.821 5.284 -21.154 1.00 0.02 H new ATOM 0 HZ3 LYS A 74 -7.399 3.664 -21.442 1.00 0.02 H new ATOM 1241 N ALA A 75 -1.862 4.220 -19.790 1.00 25.22 N ATOM 1242 CA ALA A 75 -1.664 2.776 -19.812 1.00 22.23 C ATOM 1243 C ALA A 75 -0.655 2.344 -18.753 1.00 63.22 C ATOM 1244 O ALA A 75 -0.751 1.249 -18.198 1.00 72.04 O ATOM 1245 CB ALA A 75 -1.209 2.326 -21.192 1.00 43.32 C ATOM 0 H ALA A 75 -1.422 4.718 -20.564 1.00 25.22 H new ATOM 0 HA ALA A 75 -2.618 2.300 -19.583 1.00 22.23 H new ATOM 0 HB1 ALA A 75 -1.065 1.246 -21.193 1.00 43.32 H new ATOM 0 HB2 ALA A 75 -1.966 2.592 -21.930 1.00 43.32 H new ATOM 0 HB3 ALA A 75 -0.269 2.817 -21.443 1.00 43.32 H new ATOM 1251 N LYS A 76 0.314 3.210 -18.478 1.00 3.33 N ATOM 1252 CA LYS A 76 1.342 2.919 -17.485 1.00 40.42 C ATOM 1253 C LYS A 76 0.716 2.589 -16.134 1.00 73.43 C ATOM 1254 O LYS A 76 1.194 1.711 -15.415 1.00 43.40 O ATOM 1255 CB LYS A 76 2.292 4.110 -17.341 1.00 2.32 C ATOM 1256 CG LYS A 76 3.522 3.809 -16.502 1.00 11.02 C ATOM 1257 CD LYS A 76 4.799 4.214 -17.219 1.00 0.24 C ATOM 1258 CE LYS A 76 6.011 3.496 -16.646 1.00 4.33 C ATOM 1259 NZ LYS A 76 7.287 4.132 -17.076 1.00 42.42 N ATOM 0 H LYS A 76 0.409 4.120 -18.929 1.00 3.33 H new ATOM 0 HA LYS A 76 1.906 2.051 -17.826 1.00 40.42 H new ATOM 0 HB2 LYS A 76 2.609 4.433 -18.333 1.00 2.32 H new ATOM 0 HB3 LYS A 76 1.751 4.943 -16.892 1.00 2.32 H new ATOM 0 HG2 LYS A 76 3.454 4.338 -15.552 1.00 11.02 H new ATOM 0 HG3 LYS A 76 3.555 2.744 -16.272 1.00 11.02 H new ATOM 0 HD2 LYS A 76 4.709 3.987 -18.281 1.00 0.24 H new ATOM 0 HD3 LYS A 76 4.939 5.292 -17.134 1.00 0.24 H new ATOM 0 HE2 LYS A 76 5.953 3.498 -15.558 1.00 4.33 H new ATOM 0 HE3 LYS A 76 6.000 2.454 -16.964 1.00 4.33 H new ATOM 0 HZ1 LYS A 76 8.089 3.614 -16.665 1.00 42.42 H new ATOM 0 HZ2 LYS A 76 7.355 4.108 -18.114 1.00 42.42 H new ATOM 0 HZ3 LYS A 76 7.310 5.120 -16.751 1.00 42.42 H new ATOM 1273 N PHE A 77 -0.358 3.295 -15.796 1.00 61.01 N ATOM 1274 CA PHE A 77 -1.050 3.076 -14.531 1.00 72.45 C ATOM 1275 C PHE A 77 -1.310 1.589 -14.304 1.00 40.34 C ATOM 1276 O PHE A 77 -1.217 1.097 -13.180 1.00 71.35 O ATOM 1277 CB PHE A 77 -2.372 3.845 -14.509 1.00 54.23 C ATOM 1278 CG PHE A 77 -2.462 4.851 -13.398 1.00 1.24 C ATOM 1279 CD1 PHE A 77 -2.200 4.482 -12.088 1.00 60.42 C ATOM 1280 CD2 PHE A 77 -2.809 6.166 -13.662 1.00 4.51 C ATOM 1281 CE1 PHE A 77 -2.281 5.405 -11.063 1.00 31.02 C ATOM 1282 CE2 PHE A 77 -2.891 7.094 -12.641 1.00 2.22 C ATOM 1283 CZ PHE A 77 -2.628 6.713 -11.340 1.00 20.24 C ATOM 0 H PHE A 77 -0.768 4.024 -16.380 1.00 61.01 H new ATOM 0 HA PHE A 77 -0.411 3.442 -13.728 1.00 72.45 H new ATOM 0 HB2 PHE A 77 -2.501 4.356 -15.463 1.00 54.23 H new ATOM 0 HB3 PHE A 77 -3.194 3.136 -14.414 1.00 54.23 H new ATOM 0 HD1 PHE A 77 -1.929 3.460 -11.866 1.00 60.42 H new ATOM 0 HD2 PHE A 77 -3.018 6.469 -14.677 1.00 4.51 H new ATOM 0 HE1 PHE A 77 -2.073 5.104 -10.047 1.00 31.02 H new ATOM 0 HE2 PHE A 77 -3.161 8.116 -12.861 1.00 2.22 H new ATOM 0 HZ PHE A 77 -2.693 7.436 -10.541 1.00 20.24 H new ATOM 1293 N ALA A 78 -1.637 0.881 -15.380 1.00 63.32 N ATOM 1294 CA ALA A 78 -1.909 -0.549 -15.300 1.00 23.04 C ATOM 1295 C ALA A 78 -0.659 -1.324 -14.895 1.00 12.44 C ATOM 1296 O ALA A 78 -0.739 -2.307 -14.159 1.00 12.42 O ATOM 1297 CB ALA A 78 -2.441 -1.061 -16.630 1.00 12.22 C ATOM 0 H ALA A 78 -1.720 1.274 -16.317 1.00 63.32 H new ATOM 0 HA ALA A 78 -2.667 -0.707 -14.533 1.00 23.04 H new ATOM 0 HB1 ALA A 78 -2.640 -2.130 -16.555 1.00 12.22 H new ATOM 0 HB2 ALA A 78 -3.364 -0.537 -16.879 1.00 12.22 H new ATOM 0 HB3 ALA A 78 -1.701 -0.883 -17.411 1.00 12.22 H new ATOM 1303 N GLU A 79 0.494 -0.874 -15.381 1.00 33.24 N ATOM 1304 CA GLU A 79 1.760 -1.527 -15.069 1.00 74.53 C ATOM 1305 C GLU A 79 2.360 -0.966 -13.784 1.00 2.31 C ATOM 1306 O GLU A 79 3.190 -1.609 -13.140 1.00 44.21 O ATOM 1307 CB GLU A 79 2.747 -1.353 -16.225 1.00 52.13 C ATOM 1308 CG GLU A 79 4.186 -1.662 -15.849 1.00 0.25 C ATOM 1309 CD GLU A 79 5.102 -1.737 -17.055 1.00 13.51 C ATOM 1310 OE1 GLU A 79 6.335 -1.785 -16.861 1.00 34.11 O ATOM 1311 OE2 GLU A 79 4.586 -1.746 -18.192 1.00 62.21 O ATOM 0 H GLU A 79 0.577 -0.061 -15.991 1.00 33.24 H new ATOM 0 HA GLU A 79 1.565 -2.590 -14.924 1.00 74.53 H new ATOM 0 HB2 GLU A 79 2.448 -2.003 -17.048 1.00 52.13 H new ATOM 0 HB3 GLU A 79 2.688 -0.328 -16.591 1.00 52.13 H new ATOM 0 HG2 GLU A 79 4.552 -0.895 -15.167 1.00 0.25 H new ATOM 0 HG3 GLU A 79 4.221 -2.609 -15.311 1.00 0.25 H new ATOM 1318 N LEU A 80 1.935 0.238 -13.416 1.00 44.14 N ATOM 1319 CA LEU A 80 2.431 0.888 -12.208 1.00 53.31 C ATOM 1320 C LEU A 80 2.202 0.008 -10.983 1.00 52.53 C ATOM 1321 O LEU A 80 3.047 -0.062 -10.090 1.00 34.43 O ATOM 1322 CB LEU A 80 1.743 2.241 -12.014 1.00 72.24 C ATOM 1323 CG LEU A 80 2.503 3.461 -12.535 1.00 10.12 C ATOM 1324 CD1 LEU A 80 1.663 4.719 -12.380 1.00 11.32 C ATOM 1325 CD2 LEU A 80 3.831 3.612 -11.808 1.00 24.31 C ATOM 0 H LEU A 80 1.248 0.784 -13.937 1.00 44.14 H new ATOM 0 HA LEU A 80 3.503 1.046 -12.324 1.00 53.31 H new ATOM 0 HB2 LEU A 80 0.771 2.206 -12.506 1.00 72.24 H new ATOM 0 HB3 LEU A 80 1.556 2.382 -10.949 1.00 72.24 H new ATOM 0 HG LEU A 80 2.707 3.313 -13.596 1.00 10.12 H new ATOM 0 HD11 LEU A 80 2.220 5.577 -12.756 1.00 11.32 H new ATOM 0 HD12 LEU A 80 0.738 4.611 -12.946 1.00 11.32 H new ATOM 0 HD13 LEU A 80 1.428 4.872 -11.327 1.00 11.32 H new ATOM 0 HD21 LEU A 80 4.359 4.485 -12.192 1.00 24.31 H new ATOM 0 HD22 LEU A 80 3.649 3.738 -10.741 1.00 24.31 H new ATOM 0 HD23 LEU A 80 4.438 2.721 -11.970 1.00 24.31 H new ATOM 1337 N LEU A 81 1.056 -0.662 -10.949 1.00 74.11 N ATOM 1338 CA LEU A 81 0.716 -1.540 -9.835 1.00 32.32 C ATOM 1339 C LEU A 81 1.622 -2.767 -9.813 1.00 33.33 C ATOM 1340 O LEU A 81 1.912 -3.317 -8.751 1.00 11.44 O ATOM 1341 CB LEU A 81 -0.748 -1.974 -9.930 1.00 21.42 C ATOM 1342 CG LEU A 81 -1.436 -2.309 -8.606 1.00 60.20 C ATOM 1343 CD1 LEU A 81 -2.946 -2.351 -8.785 1.00 24.32 C ATOM 1344 CD2 LEU A 81 -0.925 -3.634 -8.059 1.00 64.13 C ATOM 0 H LEU A 81 0.346 -0.614 -11.680 1.00 74.11 H new ATOM 0 HA LEU A 81 0.864 -0.985 -8.909 1.00 32.32 H new ATOM 0 HB2 LEU A 81 -1.311 -1.178 -10.418 1.00 21.42 H new ATOM 0 HB3 LEU A 81 -0.806 -2.849 -10.578 1.00 21.42 H new ATOM 0 HG LEU A 81 -1.197 -1.526 -7.886 1.00 60.20 H new ATOM 0 HD11 LEU A 81 -3.419 -2.591 -7.833 1.00 24.32 H new ATOM 0 HD12 LEU A 81 -3.299 -1.379 -9.131 1.00 24.32 H new ATOM 0 HD13 LEU A 81 -3.204 -3.113 -9.520 1.00 24.32 H new ATOM 0 HD21 LEU A 81 -1.426 -3.856 -7.117 1.00 64.13 H new ATOM 0 HD22 LEU A 81 -1.133 -4.428 -8.776 1.00 64.13 H new ATOM 0 HD23 LEU A 81 0.150 -3.568 -7.892 1.00 64.13 H new ATOM 1356 N GLU A 82 2.066 -3.190 -10.992 1.00 43.31 N ATOM 1357 CA GLU A 82 2.941 -4.351 -11.107 1.00 34.12 C ATOM 1358 C GLU A 82 4.400 -3.956 -10.899 1.00 32.24 C ATOM 1359 O GLU A 82 5.206 -4.753 -10.421 1.00 23.44 O ATOM 1360 CB GLU A 82 2.770 -5.012 -12.476 1.00 62.31 C ATOM 1361 CG GLU A 82 3.314 -6.430 -12.540 1.00 3.44 C ATOM 1362 CD GLU A 82 2.921 -7.149 -13.815 1.00 75.01 C ATOM 1363 OE1 GLU A 82 2.412 -6.481 -14.740 1.00 2.34 O ATOM 1364 OE2 GLU A 82 3.120 -8.379 -13.889 1.00 23.42 O ATOM 0 H GLU A 82 1.834 -2.746 -11.881 1.00 43.31 H new ATOM 0 HA GLU A 82 2.662 -5.063 -10.330 1.00 34.12 H new ATOM 0 HB2 GLU A 82 1.711 -5.026 -12.733 1.00 62.31 H new ATOM 0 HB3 GLU A 82 3.273 -4.405 -13.229 1.00 62.31 H new ATOM 0 HG2 GLU A 82 4.401 -6.402 -12.464 1.00 3.44 H new ATOM 0 HG3 GLU A 82 2.949 -6.994 -11.682 1.00 3.44 H new ATOM 1371 N GLN A 83 4.730 -2.721 -11.262 1.00 20.05 N ATOM 1372 CA GLN A 83 6.092 -2.221 -11.116 1.00 11.12 C ATOM 1373 C GLN A 83 6.613 -2.465 -9.704 1.00 24.44 C ATOM 1374 O GLN A 83 7.660 -3.086 -9.518 1.00 11.32 O ATOM 1375 CB GLN A 83 6.147 -0.727 -11.441 1.00 33.21 C ATOM 1376 CG GLN A 83 7.547 -0.140 -11.369 1.00 11.22 C ATOM 1377 CD GLN A 83 7.561 1.268 -10.806 1.00 20.33 C ATOM 1378 OE1 GLN A 83 8.045 1.501 -9.698 1.00 33.44 O ATOM 1379 NE2 GLN A 83 7.029 2.216 -11.568 1.00 63.02 N ATOM 0 H GLN A 83 4.074 -2.049 -11.659 1.00 20.05 H new ATOM 0 HA GLN A 83 6.728 -2.762 -11.817 1.00 11.12 H new ATOM 0 HB2 GLN A 83 5.746 -0.566 -12.442 1.00 33.21 H new ATOM 0 HB3 GLN A 83 5.500 -0.189 -10.748 1.00 33.21 H new ATOM 0 HG2 GLN A 83 8.174 -0.781 -10.750 1.00 11.22 H new ATOM 0 HG3 GLN A 83 7.986 -0.133 -12.367 1.00 11.22 H new ATOM 0 HE21 GLN A 83 6.639 1.978 -12.480 1.00 63.02 H new ATOM 0 HE22 GLN A 83 7.010 3.182 -11.242 1.00 63.02 H new ATOM 1388 N GLN A 84 5.877 -1.973 -8.713 1.00 32.54 N ATOM 1389 CA GLN A 84 6.267 -2.138 -7.317 1.00 74.23 C ATOM 1390 C GLN A 84 5.914 -3.534 -6.815 1.00 31.32 C ATOM 1391 O GLN A 84 6.770 -4.256 -6.302 1.00 73.13 O ATOM 1392 CB GLN A 84 5.583 -1.082 -6.447 1.00 22.22 C ATOM 1393 CG GLN A 84 6.264 -0.867 -5.105 1.00 12.23 C ATOM 1394 CD GLN A 84 6.185 -2.087 -4.208 1.00 44.31 C ATOM 1395 OE1 GLN A 84 7.194 -2.537 -3.664 1.00 31.31 O ATOM 1396 NE2 GLN A 84 4.984 -2.629 -4.049 1.00 54.41 N ATOM 0 H GLN A 84 5.008 -1.457 -8.850 1.00 32.54 H new ATOM 0 HA GLN A 84 7.347 -2.010 -7.250 1.00 74.23 H new ATOM 0 HB2 GLN A 84 5.559 -0.136 -6.989 1.00 22.22 H new ATOM 0 HB3 GLN A 84 4.548 -1.378 -6.277 1.00 22.22 H new ATOM 0 HG2 GLN A 84 7.310 -0.609 -5.270 1.00 12.23 H new ATOM 0 HG3 GLN A 84 5.803 -0.019 -4.600 1.00 12.23 H new ATOM 0 HE21 GLN A 84 4.175 -2.223 -4.519 1.00 54.41 H new ATOM 0 HE22 GLN A 84 4.870 -3.452 -3.457 1.00 54.41 H new ATOM 1405 N LYS A 85 4.648 -3.909 -6.964 1.00 61.34 N ATOM 1406 CA LYS A 85 4.181 -5.219 -6.527 1.00 32.30 C ATOM 1407 C LYS A 85 5.155 -6.314 -6.951 1.00 54.15 C ATOM 1408 O LYS A 85 5.702 -7.030 -6.114 1.00 10.52 O ATOM 1409 CB LYS A 85 2.792 -5.506 -7.102 1.00 70.51 C ATOM 1410 CG LYS A 85 2.154 -6.770 -6.550 1.00 2.51 C ATOM 1411 CD LYS A 85 0.770 -6.997 -7.134 1.00 50.50 C ATOM 1412 CE LYS A 85 -0.107 -7.807 -6.191 1.00 43.25 C ATOM 1413 NZ LYS A 85 -0.881 -8.853 -6.916 1.00 3.15 N ATOM 0 H LYS A 85 3.927 -3.323 -7.385 1.00 61.34 H new ATOM 0 HA LYS A 85 4.123 -5.211 -5.439 1.00 32.30 H new ATOM 0 HB2 LYS A 85 2.139 -4.658 -6.893 1.00 70.51 H new ATOM 0 HB3 LYS A 85 2.867 -5.591 -8.186 1.00 70.51 H new ATOM 0 HG2 LYS A 85 2.789 -7.627 -6.774 1.00 2.51 H new ATOM 0 HG3 LYS A 85 2.085 -6.699 -5.464 1.00 2.51 H new ATOM 0 HD2 LYS A 85 0.297 -6.036 -7.337 1.00 50.50 H new ATOM 0 HD3 LYS A 85 0.857 -7.517 -8.088 1.00 50.50 H new ATOM 0 HE2 LYS A 85 0.516 -8.278 -5.430 1.00 43.25 H new ATOM 0 HE3 LYS A 85 -0.795 -7.140 -5.672 1.00 43.25 H new ATOM 0 HZ1 LYS A 85 -1.466 -9.383 -6.239 1.00 3.15 H new ATOM 0 HZ2 LYS A 85 -1.494 -8.402 -7.625 1.00 3.15 H new ATOM 0 HZ3 LYS A 85 -0.224 -9.505 -7.391 1.00 3.15 H new