USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 903 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.0149 (180deg=-0.517) USER MOD Single : A 3 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.165) USER MOD Single : A 4 GLN : amide:sc= -1.29 K(o=-1.3,f=-2.1) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0468 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.28) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 138:sc= -1.23 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -125:sc= -1.47 (180deg=-3!) USER MOD Single : A 43 HIS : no HD1:sc= -0.672 K(o=-0.67,f=-1.2) USER MOD Single : A 44 SER OG : rot 68:sc= 0.934 USER MOD Single : A 46 SER OG : rot 94:sc= -0.83 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.42! C(o=-2.4!,f=-5.5!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -38:sc= 0.339 USER MOD Single : A 72 LYS NZ :NH3+ 154:sc= -0.107 (180deg=-0.662) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.595 USER MOD Single : A 76 THR OG1 : rot 99:sc= 0.569 USER MOD Single : A 78 GLN : amide:sc= -1.62 X(o=-1.6,f=-1.8!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.586 F(o=-3.4!,f=-0.59) USER MOD Single : A 85 LYS NZ :NH3+ -147:sc= -1.27 (180deg=-3.36!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN :FLIP amide:sc= -0.73 F(o=-2.2!,f=-0.73) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 81:sc= 0.0372 USER MOD Single : A 102 ASN : amide:sc= -0.824 K(o=-0.82,f=-2.7!) USER MOD Single : B 61 THR OG1 : rot 180:sc= 0 USER MOD Single : B 63 LYS NZ :NH3+ -159:sc= -0.0631 (180deg=-0.732) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN :FLIP amide:sc= -0.0788 F(o=-2!,f=-0.079) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.954 -1.367 10.633 1.00 1.04 N ATOM 2 CA MET A 1 -7.632 -0.935 11.169 1.00 0.78 C ATOM 3 C MET A 1 -6.552 -1.159 10.106 1.00 0.57 C ATOM 4 O MET A 1 -6.778 -1.809 9.106 1.00 0.63 O ATOM 5 CB MET A 1 -7.294 -1.758 12.414 1.00 0.79 C ATOM 6 CG MET A 1 -8.311 -1.470 13.523 1.00 1.45 C ATOM 7 SD MET A 1 -8.196 0.263 14.035 1.00 2.32 S ATOM 8 CE MET A 1 -9.450 0.202 15.340 1.00 2.88 C ATOM 0 H1 MET A 1 -9.661 -0.627 10.816 1.00 1.04 H new ATOM 0 H2 MET A 1 -8.878 -1.527 9.608 1.00 1.04 H new ATOM 0 H3 MET A 1 -9.247 -2.249 11.100 1.00 1.04 H new ATOM 0 HA MET A 1 -7.674 0.123 11.430 1.00 0.78 H new ATOM 0 HB2 MET A 1 -7.300 -2.820 12.171 1.00 0.79 H new ATOM 0 HB3 MET A 1 -6.289 -1.515 12.759 1.00 0.79 H new ATOM 0 HG2 MET A 1 -9.319 -1.687 13.169 1.00 1.45 H new ATOM 0 HG3 MET A 1 -8.126 -2.123 14.376 1.00 1.45 H new ATOM 0 HE1 MET A 1 -9.545 1.186 15.800 1.00 2.88 H new ATOM 0 HE2 MET A 1 -10.408 -0.092 14.911 1.00 2.88 H new ATOM 0 HE3 MET A 1 -9.153 -0.525 16.096 1.00 2.88 H new ATOM 20 N VAL A 2 -5.375 -0.623 10.325 1.00 0.41 N ATOM 21 CA VAL A 2 -4.260 -0.788 9.334 1.00 0.28 C ATOM 22 C VAL A 2 -3.315 -1.904 9.795 1.00 0.23 C ATOM 23 O VAL A 2 -3.303 -2.282 10.951 1.00 0.24 O ATOM 24 CB VAL A 2 -3.472 0.521 9.238 1.00 0.33 C ATOM 25 CG1 VAL A 2 -2.266 0.325 8.311 1.00 0.45 C ATOM 26 CG2 VAL A 2 -4.377 1.618 8.674 1.00 0.40 C ATOM 0 H VAL A 2 -5.136 -0.075 11.152 1.00 0.41 H new ATOM 0 HA VAL A 2 -4.680 -1.045 8.362 1.00 0.28 H new ATOM 0 HB VAL A 2 -3.124 0.810 10.229 1.00 0.33 H new ATOM 0 HG11 VAL A 2 -1.705 1.257 8.242 1.00 0.45 H new ATOM 0 HG12 VAL A 2 -1.622 -0.458 8.712 1.00 0.45 H new ATOM 0 HG13 VAL A 2 -2.613 0.036 7.319 1.00 0.45 H new ATOM 0 HG21 VAL A 2 -3.818 2.551 8.605 1.00 0.40 H new ATOM 0 HG22 VAL A 2 -4.725 1.329 7.682 1.00 0.40 H new ATOM 0 HG23 VAL A 2 -5.234 1.757 9.333 1.00 0.40 H new ATOM 36 N LYS A 3 -2.511 -2.423 8.896 1.00 0.20 N ATOM 37 CA LYS A 3 -1.548 -3.512 9.255 1.00 0.18 C ATOM 38 C LYS A 3 -0.165 -3.126 8.738 1.00 0.15 C ATOM 39 O LYS A 3 -0.002 -2.768 7.587 1.00 0.16 O ATOM 40 CB LYS A 3 -1.989 -4.817 8.575 1.00 0.19 C ATOM 41 CG LYS A 3 -1.082 -5.989 8.987 1.00 0.20 C ATOM 42 CD LYS A 3 -1.391 -6.438 10.422 1.00 0.81 C ATOM 43 CE LYS A 3 -0.738 -7.797 10.676 1.00 1.03 C ATOM 44 NZ LYS A 3 0.742 -7.656 10.604 1.00 1.67 N ATOM 0 H LYS A 3 -2.482 -2.134 7.918 1.00 0.20 H new ATOM 0 HA LYS A 3 -1.523 -3.650 10.336 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -3.022 -5.040 8.844 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.961 -4.694 7.492 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.225 -6.824 8.301 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.037 -5.690 8.912 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.017 -5.703 11.134 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.469 -6.506 10.570 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -1.031 -8.176 11.655 1.00 1.03 H new ATOM 0 HE3 LYS A 3 -1.082 -8.522 9.938 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 1.191 -8.532 10.941 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 1.026 -7.477 9.620 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 1.044 -6.860 11.201 1.00 1.67 H new ATOM 58 N GLN A 4 0.835 -3.198 9.580 1.00 0.15 N ATOM 59 CA GLN A 4 2.216 -2.840 9.141 1.00 0.14 C ATOM 60 C GLN A 4 2.988 -4.114 8.803 1.00 0.12 C ATOM 61 O GLN A 4 3.133 -5.002 9.620 1.00 0.13 O ATOM 62 CB GLN A 4 2.931 -2.094 10.276 1.00 0.16 C ATOM 63 CG GLN A 4 4.332 -1.669 9.814 1.00 0.17 C ATOM 64 CD GLN A 4 5.077 -0.988 10.964 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.760 -1.195 12.118 1.00 0.29 O ATOM 66 NE2 GLN A 4 6.070 -0.186 10.691 1.00 0.31 N ATOM 0 H GLN A 4 0.753 -3.490 10.554 1.00 0.15 H new ATOM 0 HA GLN A 4 2.166 -2.202 8.259 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.353 -1.218 10.569 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.006 -2.735 11.155 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.891 -2.540 9.472 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.254 -0.988 8.966 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.335 -0.014 9.721 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.581 0.268 11.448 1.00 0.31 H new ATOM 75 N ILE A 5 3.507 -4.195 7.610 1.00 0.10 N ATOM 76 CA ILE A 5 4.297 -5.392 7.199 1.00 0.10 C ATOM 77 C ILE A 5 5.782 -5.049 7.310 1.00 0.10 C ATOM 78 O ILE A 5 6.285 -4.212 6.590 1.00 0.11 O ATOM 79 CB ILE A 5 3.961 -5.718 5.747 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.440 -5.768 5.579 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.584 -7.052 5.343 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.823 -6.760 6.576 1.00 0.19 C ATOM 0 H ILE A 5 3.417 -3.475 6.893 1.00 0.10 H new ATOM 0 HA ILE A 5 4.064 -6.247 7.834 1.00 0.10 H new ATOM 0 HB ILE A 5 4.370 -4.942 5.100 1.00 0.11 H new ATOM 0 HG12 ILE A 5 2.018 -4.775 5.736 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.190 -6.064 4.560 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.335 -7.270 4.304 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.667 -6.996 5.452 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.195 -7.844 5.983 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.741 -6.784 6.444 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.232 -7.755 6.400 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.057 -6.446 7.593 1.00 0.19 H new ATOM 94 N GLU A 6 6.490 -5.686 8.208 1.00 0.11 N ATOM 95 CA GLU A 6 7.945 -5.386 8.363 1.00 0.13 C ATOM 96 C GLU A 6 8.770 -6.436 7.617 1.00 0.12 C ATOM 97 O GLU A 6 9.982 -6.379 7.596 1.00 0.13 O ATOM 98 CB GLU A 6 8.313 -5.410 9.849 1.00 0.15 C ATOM 99 CG GLU A 6 7.513 -4.342 10.602 1.00 0.17 C ATOM 100 CD GLU A 6 8.027 -2.950 10.225 1.00 1.45 C ATOM 101 OE1 GLU A 6 9.146 -2.631 10.595 1.00 2.25 O ATOM 102 OE2 GLU A 6 7.296 -2.228 9.566 1.00 2.25 O ATOM 0 H GLU A 6 6.124 -6.399 8.839 1.00 0.11 H new ATOM 0 HA GLU A 6 8.157 -4.400 7.949 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.106 -6.395 10.268 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.381 -5.230 9.971 1.00 0.15 H new ATOM 0 HG2 GLU A 6 6.454 -4.428 10.358 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.606 -4.495 11.677 1.00 0.17 H new ATOM 109 N SER A 7 8.128 -7.394 6.997 1.00 0.12 N ATOM 110 CA SER A 7 8.901 -8.437 6.252 1.00 0.13 C ATOM 111 C SER A 7 8.051 -9.061 5.146 1.00 0.12 C ATOM 112 O SER A 7 6.837 -9.057 5.199 1.00 0.12 O ATOM 113 CB SER A 7 9.325 -9.546 7.218 1.00 0.15 C ATOM 114 OG SER A 7 8.167 -10.131 7.799 1.00 0.15 O ATOM 0 H SER A 7 7.114 -7.500 6.973 1.00 0.12 H new ATOM 0 HA SER A 7 9.774 -7.959 5.808 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.903 -10.304 6.689 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.970 -9.139 7.996 1.00 0.15 H new ATOM 0 HG SER A 7 8.435 -10.843 8.417 1.00 0.15 H new ATOM 120 N LYS A 8 8.692 -9.634 4.160 1.00 0.14 N ATOM 121 CA LYS A 8 7.936 -10.294 3.064 1.00 0.15 C ATOM 122 C LYS A 8 7.192 -11.483 3.662 1.00 0.15 C ATOM 123 O LYS A 8 6.131 -11.858 3.216 1.00 0.16 O ATOM 124 CB LYS A 8 8.899 -10.788 1.984 1.00 0.18 C ATOM 125 CG LYS A 8 8.099 -11.229 0.757 1.00 0.21 C ATOM 126 CD LYS A 8 9.043 -11.723 -0.347 1.00 0.43 C ATOM 127 CE LYS A 8 9.838 -12.943 0.129 1.00 0.80 C ATOM 128 NZ LYS A 8 10.304 -13.715 -1.058 1.00 1.65 N ATOM 0 H LYS A 8 9.707 -9.671 4.070 1.00 0.14 H new ATOM 0 HA LYS A 8 7.239 -9.589 2.611 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.596 -9.996 1.712 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.493 -11.619 2.363 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.405 -12.023 1.033 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.500 -10.397 0.387 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.468 -11.981 -1.236 1.00 0.43 H new ATOM 0 HD3 LYS A 8 9.728 -10.924 -0.632 1.00 0.43 H new ATOM 0 HE2 LYS A 8 10.691 -12.625 0.729 1.00 0.80 H new ATOM 0 HE3 LYS A 8 9.216 -13.572 0.766 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 10.845 -14.545 -0.742 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 9.482 -14.028 -1.613 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 10.911 -13.111 -1.649 1.00 1.65 H new ATOM 142 N THR A 9 7.750 -12.081 4.679 1.00 0.15 N ATOM 143 CA THR A 9 7.082 -13.253 5.303 1.00 0.17 C ATOM 144 C THR A 9 5.702 -12.832 5.795 1.00 0.16 C ATOM 145 O THR A 9 4.711 -13.490 5.543 1.00 0.17 O ATOM 146 CB THR A 9 7.919 -13.740 6.488 1.00 0.19 C ATOM 147 OG1 THR A 9 9.264 -13.917 6.069 1.00 0.22 O ATOM 148 CG2 THR A 9 7.368 -15.070 7.000 1.00 0.23 C ATOM 0 H THR A 9 8.637 -11.808 5.102 1.00 0.15 H new ATOM 0 HA THR A 9 6.984 -14.057 4.574 1.00 0.17 H new ATOM 0 HB THR A 9 7.876 -13.002 7.289 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.804 -14.227 6.826 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.968 -15.412 7.844 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.335 -14.937 7.320 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.408 -15.812 6.202 1.00 0.23 H new ATOM 156 N ALA A 10 5.626 -11.730 6.479 1.00 0.15 N ATOM 157 CA ALA A 10 4.307 -11.250 6.962 1.00 0.15 C ATOM 158 C ALA A 10 3.470 -10.825 5.758 1.00 0.14 C ATOM 159 O ALA A 10 2.260 -10.900 5.774 1.00 0.15 O ATOM 160 CB ALA A 10 4.502 -10.063 7.907 1.00 0.17 C ATOM 0 H ALA A 10 6.421 -11.140 6.725 1.00 0.15 H new ATOM 0 HA ALA A 10 3.797 -12.047 7.503 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.531 -9.715 8.259 1.00 0.17 H new ATOM 0 HB2 ALA A 10 5.107 -10.372 8.759 1.00 0.17 H new ATOM 0 HB3 ALA A 10 5.007 -9.255 7.377 1.00 0.17 H new ATOM 166 N PHE A 11 4.108 -10.371 4.709 1.00 0.14 N ATOM 167 CA PHE A 11 3.341 -9.934 3.505 1.00 0.13 C ATOM 168 C PHE A 11 2.528 -11.105 2.976 1.00 0.14 C ATOM 169 O PHE A 11 1.365 -10.977 2.647 1.00 0.14 O ATOM 170 CB PHE A 11 4.325 -9.494 2.416 1.00 0.14 C ATOM 171 CG PHE A 11 3.580 -8.820 1.284 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.945 -7.592 1.494 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.539 -9.420 0.015 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.264 -6.968 0.442 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.862 -8.793 -1.035 1.00 0.14 C ATOM 176 CZ PHE A 11 2.224 -7.569 -0.823 1.00 0.14 C ATOM 0 H PHE A 11 5.122 -10.285 4.635 1.00 0.14 H new ATOM 0 HA PHE A 11 2.681 -9.109 3.773 1.00 0.13 H new ATOM 0 HB2 PHE A 11 5.062 -8.809 2.836 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.872 -10.358 2.038 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.980 -7.125 2.467 1.00 0.14 H new ATOM 0 HD2 PHE A 11 4.031 -10.367 -0.150 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.769 -6.022 0.606 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.832 -9.255 -2.011 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.700 -7.086 -1.634 1.00 0.14 H new ATOM 186 N GLN A 12 3.135 -12.250 2.898 1.00 0.14 N ATOM 187 CA GLN A 12 2.406 -13.442 2.394 1.00 0.16 C ATOM 188 C GLN A 12 1.269 -13.775 3.360 1.00 0.15 C ATOM 189 O GLN A 12 0.160 -14.072 2.965 1.00 0.16 O ATOM 190 CB GLN A 12 3.378 -14.625 2.344 1.00 0.18 C ATOM 191 CG GLN A 12 4.571 -14.276 1.448 1.00 0.17 C ATOM 192 CD GLN A 12 4.080 -14.030 0.022 1.00 0.40 C ATOM 193 OE1 GLN A 12 4.173 -12.928 -0.483 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.554 -15.015 -0.654 1.00 1.31 N ATOM 0 H GLN A 12 4.107 -12.414 3.162 1.00 0.14 H new ATOM 0 HA GLN A 12 2.002 -13.244 1.401 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.724 -14.866 3.349 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.870 -15.510 1.961 1.00 0.18 H new ATOM 0 HG2 GLN A 12 5.078 -13.389 1.828 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.298 -15.088 1.459 1.00 0.17 H new ATOM 0 HE21 GLN A 12 3.476 -15.940 -0.231 1.00 1.31 H new ATOM 0 HE22 GLN A 12 3.221 -14.860 -1.606 1.00 1.31 H new ATOM 203 N GLU A 13 1.559 -13.726 4.631 1.00 0.16 N ATOM 204 CA GLU A 13 0.535 -14.033 5.671 1.00 0.17 C ATOM 205 C GLU A 13 -0.587 -12.997 5.650 1.00 0.15 C ATOM 206 O GLU A 13 -1.741 -13.311 5.863 1.00 0.16 O ATOM 207 CB GLU A 13 1.224 -14.012 7.039 1.00 0.19 C ATOM 208 CG GLU A 13 2.198 -15.191 7.154 1.00 0.28 C ATOM 209 CD GLU A 13 1.417 -16.508 7.156 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.252 -16.483 7.517 1.00 1.67 O ATOM 211 OE2 GLU A 13 1.998 -17.520 6.798 1.00 1.77 O ATOM 0 H GLU A 13 2.478 -13.482 4.999 1.00 0.16 H new ATOM 0 HA GLU A 13 0.097 -15.011 5.473 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.760 -13.072 7.171 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.478 -14.067 7.832 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.902 -15.176 6.322 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.784 -15.103 8.069 1.00 0.28 H new ATOM 218 N ALA A 14 -0.255 -11.764 5.415 1.00 0.15 N ATOM 219 CA ALA A 14 -1.297 -10.707 5.395 1.00 0.14 C ATOM 220 C ALA A 14 -2.204 -10.931 4.191 1.00 0.13 C ATOM 221 O ALA A 14 -3.410 -10.810 4.276 1.00 0.13 O ATOM 222 CB ALA A 14 -0.616 -9.341 5.308 1.00 0.15 C ATOM 0 H ALA A 14 0.696 -11.441 5.235 1.00 0.15 H new ATOM 0 HA ALA A 14 -1.899 -10.745 6.303 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.373 -8.557 5.293 1.00 0.15 H new ATOM 0 HB2 ALA A 14 0.033 -9.202 6.173 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.021 -9.288 4.396 1.00 0.15 H new ATOM 228 N LEU A 15 -1.634 -11.267 3.069 1.00 0.12 N ATOM 229 CA LEU A 15 -2.465 -11.506 1.866 1.00 0.12 C ATOM 230 C LEU A 15 -3.428 -12.654 2.154 1.00 0.13 C ATOM 231 O LEU A 15 -4.583 -12.620 1.780 1.00 0.13 O ATOM 232 CB LEU A 15 -1.558 -11.890 0.696 1.00 0.13 C ATOM 233 CG LEU A 15 -0.736 -10.673 0.243 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.414 -11.149 -0.652 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.616 -9.681 -0.538 1.00 0.17 C ATOM 0 H LEU A 15 -0.630 -11.386 2.936 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.024 -10.605 1.614 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -0.891 -12.699 0.993 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.159 -12.262 -0.134 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.342 -10.167 1.124 1.00 0.13 H new ATOM 0 HD11 LEU A 15 1.001 -10.290 -0.977 1.00 0.17 H new ATOM 0 HD12 LEU A 15 1.051 -11.834 -0.092 1.00 0.17 H new ATOM 0 HD13 LEU A 15 0.008 -11.662 -1.524 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.014 -8.827 -0.849 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.028 -10.175 -1.418 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.431 -9.337 0.099 1.00 0.17 H new ATOM 247 N ASP A 16 -2.962 -13.669 2.831 1.00 0.13 N ATOM 248 CA ASP A 16 -3.851 -14.816 3.144 1.00 0.15 C ATOM 249 C ASP A 16 -4.899 -14.394 4.180 1.00 0.15 C ATOM 250 O ASP A 16 -6.012 -14.883 4.185 1.00 0.16 O ATOM 251 CB ASP A 16 -3.027 -15.979 3.703 1.00 0.17 C ATOM 252 CG ASP A 16 -3.893 -17.242 3.740 1.00 0.19 C ATOM 253 OD1 ASP A 16 -4.916 -17.257 3.072 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.519 -18.172 4.436 1.00 1.07 O ATOM 0 H ASP A 16 -2.006 -13.750 3.178 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.351 -15.134 2.229 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.146 -16.146 3.083 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.671 -15.739 4.705 1.00 0.17 H new ATOM 259 N ALA A 17 -4.546 -13.501 5.066 1.00 0.15 N ATOM 260 CA ALA A 17 -5.515 -13.063 6.115 1.00 0.16 C ATOM 261 C ALA A 17 -6.648 -12.264 5.471 1.00 0.15 C ATOM 262 O ALA A 17 -7.804 -12.417 5.814 1.00 0.17 O ATOM 263 CB ALA A 17 -4.800 -12.179 7.139 1.00 0.18 C ATOM 0 H ALA A 17 -3.629 -13.056 5.109 1.00 0.15 H new ATOM 0 HA ALA A 17 -5.924 -13.944 6.611 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.509 -11.861 7.903 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -3.992 -12.743 7.606 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.388 -11.303 6.639 1.00 0.18 H new ATOM 269 N ALA A 18 -6.327 -11.415 4.542 1.00 0.14 N ATOM 270 CA ALA A 18 -7.383 -10.603 3.873 1.00 0.15 C ATOM 271 C ALA A 18 -8.380 -11.537 3.186 1.00 0.14 C ATOM 272 O ALA A 18 -9.565 -11.274 3.138 1.00 0.17 O ATOM 273 CB ALA A 18 -6.736 -9.703 2.825 1.00 0.15 C ATOM 0 H ALA A 18 -5.376 -11.245 4.213 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.901 -9.994 4.614 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.505 -9.107 2.333 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.017 -9.041 3.308 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.223 -10.317 2.085 1.00 0.15 H new ATOM 279 N GLY A 19 -7.904 -12.626 2.651 1.00 0.16 N ATOM 280 CA GLY A 19 -8.813 -13.582 1.959 1.00 0.20 C ATOM 281 C GLY A 19 -9.342 -12.957 0.665 1.00 0.16 C ATOM 282 O GLY A 19 -8.583 -12.557 -0.196 1.00 0.17 O ATOM 0 H GLY A 19 -6.921 -12.896 2.663 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.280 -14.506 1.735 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.645 -13.844 2.613 1.00 0.20 H new ATOM 286 N ASP A 20 -10.637 -12.881 0.508 1.00 0.15 N ATOM 287 CA ASP A 20 -11.207 -12.303 -0.747 1.00 0.14 C ATOM 288 C ASP A 20 -11.395 -10.789 -0.606 1.00 0.12 C ATOM 289 O ASP A 20 -11.881 -10.133 -1.505 1.00 0.13 O ATOM 290 CB ASP A 20 -12.555 -12.962 -1.039 1.00 0.15 C ATOM 291 CG ASP A 20 -12.355 -14.467 -1.229 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.347 -14.844 -1.805 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.213 -15.218 -0.793 1.00 1.07 O ATOM 0 H ASP A 20 -11.325 -13.193 1.193 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.516 -12.492 -1.568 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.248 -12.777 -0.218 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -12.998 -12.527 -1.935 1.00 0.15 H new ATOM 298 N LYS A 21 -11.013 -10.222 0.504 1.00 0.12 N ATOM 299 CA LYS A 21 -11.179 -8.748 0.677 1.00 0.12 C ATOM 300 C LYS A 21 -10.124 -8.022 -0.160 1.00 0.10 C ATOM 301 O LYS A 21 -9.030 -8.513 -0.352 1.00 0.11 O ATOM 302 CB LYS A 21 -10.981 -8.387 2.158 1.00 0.15 C ATOM 303 CG LYS A 21 -12.146 -8.935 2.996 1.00 0.21 C ATOM 304 CD LYS A 21 -12.224 -8.189 4.337 1.00 0.31 C ATOM 305 CE LYS A 21 -13.063 -8.999 5.327 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.221 -8.235 6.597 1.00 1.50 N ATOM 0 H LYS A 21 -10.595 -10.710 1.296 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.177 -8.450 0.354 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.038 -8.800 2.518 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -10.919 -7.305 2.271 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.083 -8.820 2.451 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.009 -10.002 3.171 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.222 -8.033 4.737 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.666 -7.203 4.191 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -14.041 -9.215 4.898 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -12.583 -9.957 5.526 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -13.792 -8.789 7.267 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -12.285 -8.051 7.010 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -13.697 -7.331 6.402 1.00 1.50 H new ATOM 320 N LEU A 22 -10.435 -6.851 -0.657 1.00 0.11 N ATOM 321 CA LEU A 22 -9.441 -6.103 -1.472 1.00 0.12 C ATOM 322 C LEU A 22 -8.227 -5.854 -0.570 1.00 0.12 C ATOM 323 O LEU A 22 -8.330 -5.911 0.639 1.00 0.14 O ATOM 324 CB LEU A 22 -10.079 -4.769 -1.922 1.00 0.15 C ATOM 325 CG LEU A 22 -9.711 -4.415 -3.376 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.328 -3.041 -3.747 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.182 -4.361 -3.550 1.00 0.47 C ATOM 0 H LEU A 22 -11.334 -6.385 -0.532 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.137 -6.653 -2.362 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.163 -4.836 -1.828 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.750 -3.968 -1.260 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.109 -5.186 -4.036 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -10.067 -2.791 -4.775 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.412 -3.091 -3.649 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.938 -2.274 -3.077 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -7.942 -4.110 -4.583 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.767 -3.603 -2.886 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.753 -5.332 -3.304 1.00 0.47 H new ATOM 339 N VAL A 23 -7.082 -5.591 -1.129 1.00 0.11 N ATOM 340 CA VAL A 23 -5.883 -5.354 -0.289 1.00 0.11 C ATOM 341 C VAL A 23 -4.987 -4.338 -0.981 1.00 0.11 C ATOM 342 O VAL A 23 -4.423 -4.604 -2.023 1.00 0.17 O ATOM 343 CB VAL A 23 -5.110 -6.662 -0.107 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.819 -6.377 0.658 1.00 0.16 C ATOM 345 CG2 VAL A 23 -5.957 -7.662 0.681 1.00 0.12 C ATOM 0 H VAL A 23 -6.926 -5.530 -2.135 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.192 -4.979 0.687 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.877 -7.084 -1.085 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.263 -7.305 0.791 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.212 -5.668 0.096 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.060 -5.955 1.634 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.400 -8.591 0.807 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.194 -7.246 1.660 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.881 -7.863 0.139 1.00 0.12 H new ATOM 355 N VAL A 24 -4.841 -3.180 -0.403 1.00 0.09 N ATOM 356 CA VAL A 24 -3.966 -2.141 -1.016 1.00 0.09 C ATOM 357 C VAL A 24 -2.634 -2.140 -0.261 1.00 0.09 C ATOM 358 O VAL A 24 -2.603 -2.322 0.940 1.00 0.10 O ATOM 359 CB VAL A 24 -4.638 -0.770 -0.898 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.786 0.281 -1.614 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.021 -0.825 -1.548 1.00 0.14 C ATOM 0 H VAL A 24 -5.291 -2.906 0.471 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.798 -2.355 -2.072 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.737 -0.505 0.155 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.265 1.257 -1.530 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.797 0.321 -1.157 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.688 0.015 -2.666 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.501 0.150 -1.465 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -5.918 -1.091 -2.600 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.631 -1.574 -1.043 1.00 0.14 H new ATOM 371 N VAL A 25 -1.534 -1.961 -0.954 1.00 0.09 N ATOM 372 CA VAL A 25 -0.195 -1.967 -0.274 1.00 0.09 C ATOM 373 C VAL A 25 0.541 -0.666 -0.592 1.00 0.10 C ATOM 374 O VAL A 25 0.808 -0.359 -1.736 1.00 0.11 O ATOM 375 CB VAL A 25 0.626 -3.155 -0.795 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.942 -3.260 -0.025 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.172 -4.447 -0.607 1.00 0.10 C ATOM 0 H VAL A 25 -1.504 -1.811 -1.962 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.330 -2.055 0.804 1.00 0.09 H new ATOM 0 HB VAL A 25 0.840 -3.003 -1.853 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.517 -4.106 -0.402 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.516 -2.343 -0.158 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.733 -3.407 1.035 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.410 -5.291 -0.977 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.388 -4.591 0.452 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.108 -4.381 -1.162 1.00 0.10 H new ATOM 387 N ASP A 26 0.883 0.096 0.417 1.00 0.11 N ATOM 388 CA ASP A 26 1.616 1.384 0.184 1.00 0.12 C ATOM 389 C ASP A 26 3.120 1.198 0.433 1.00 0.14 C ATOM 390 O ASP A 26 3.548 0.879 1.523 1.00 0.20 O ATOM 391 CB ASP A 26 1.065 2.459 1.125 1.00 0.14 C ATOM 392 CG ASP A 26 1.793 3.780 0.869 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.784 4.232 -0.264 1.00 1.05 O ATOM 394 OD2 ASP A 26 2.333 4.330 1.816 1.00 1.04 O ATOM 0 H ASP A 26 0.687 -0.117 1.395 1.00 0.11 H new ATOM 0 HA ASP A 26 1.471 1.692 -0.851 1.00 0.12 H new ATOM 0 HB2 ASP A 26 -0.006 2.584 0.965 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.198 2.153 2.163 1.00 0.14 H new ATOM 399 N PHE A 27 3.919 1.411 -0.579 1.00 0.13 N ATOM 400 CA PHE A 27 5.404 1.271 -0.442 1.00 0.13 C ATOM 401 C PHE A 27 6.024 2.631 -0.151 1.00 0.22 C ATOM 402 O PHE A 27 7.179 2.872 -0.444 1.00 0.73 O ATOM 403 CB PHE A 27 5.994 0.722 -1.743 1.00 0.11 C ATOM 404 CG PHE A 27 5.633 -0.735 -1.897 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.387 -1.715 -1.237 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.563 -1.109 -2.714 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.069 -3.070 -1.395 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.244 -2.461 -2.868 1.00 0.14 C ATOM 409 CZ PHE A 27 4.995 -3.441 -2.211 1.00 0.14 C ATOM 0 H PHE A 27 3.603 1.680 -1.511 1.00 0.13 H new ATOM 0 HA PHE A 27 5.621 0.586 0.377 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.616 1.291 -2.592 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.078 0.838 -1.738 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.214 -1.425 -0.606 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.984 -0.355 -3.226 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.651 -3.826 -0.889 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.415 -2.750 -3.497 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.746 -4.485 -2.334 1.00 0.14 H new ATOM 419 N SER A 28 5.270 3.536 0.396 1.00 0.30 N ATOM 420 CA SER A 28 5.835 4.880 0.669 1.00 0.24 C ATOM 421 C SER A 28 7.031 4.753 1.594 1.00 0.24 C ATOM 422 O SER A 28 7.063 3.925 2.481 1.00 0.28 O ATOM 423 CB SER A 28 4.789 5.760 1.354 1.00 0.27 C ATOM 424 OG SER A 28 3.652 5.897 0.514 1.00 0.29 O ATOM 0 H SER A 28 4.295 3.405 0.664 1.00 0.30 H new ATOM 0 HA SER A 28 6.135 5.329 -0.278 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.497 5.319 2.307 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.212 6.741 1.572 1.00 0.27 H new ATOM 0 HG SER A 28 2.837 5.816 1.051 1.00 0.29 H new ATOM 430 N ALA A 29 8.010 5.589 1.402 1.00 0.20 N ATOM 431 CA ALA A 29 9.204 5.549 2.277 1.00 0.21 C ATOM 432 C ALA A 29 8.896 6.391 3.510 1.00 0.22 C ATOM 433 O ALA A 29 8.551 7.552 3.410 1.00 0.22 O ATOM 434 CB ALA A 29 10.416 6.129 1.521 1.00 0.19 C ATOM 0 H ALA A 29 8.032 6.301 0.672 1.00 0.20 H new ATOM 0 HA ALA A 29 9.442 4.526 2.569 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.295 6.100 2.165 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.603 5.537 0.625 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.208 7.161 1.238 1.00 0.19 H new ATOM 440 N THR A 30 9.011 5.825 4.670 1.00 0.23 N ATOM 441 CA THR A 30 8.723 6.615 5.888 1.00 0.24 C ATOM 442 C THR A 30 9.802 7.683 6.026 1.00 0.22 C ATOM 443 O THR A 30 9.559 8.773 6.502 1.00 0.22 O ATOM 444 CB THR A 30 8.746 5.693 7.110 1.00 0.28 C ATOM 445 OG1 THR A 30 8.469 6.451 8.278 1.00 0.30 O ATOM 446 CG2 THR A 30 10.121 5.033 7.231 1.00 0.29 C ATOM 0 H THR A 30 9.290 4.857 4.828 1.00 0.23 H new ATOM 0 HA THR A 30 7.740 7.081 5.818 1.00 0.24 H new ATOM 0 HB THR A 30 7.988 4.918 6.996 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.482 5.862 9.061 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.135 4.377 8.102 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.324 4.449 6.334 1.00 0.29 H new ATOM 0 HG23 THR A 30 10.885 5.802 7.344 1.00 0.29 H new ATOM 454 N TRP A 31 10.990 7.377 5.583 1.00 0.22 N ATOM 455 CA TRP A 31 12.101 8.365 5.671 1.00 0.21 C ATOM 456 C TRP A 31 11.876 9.517 4.688 1.00 0.19 C ATOM 457 O TRP A 31 12.394 10.602 4.871 1.00 0.22 O ATOM 458 CB TRP A 31 13.411 7.666 5.337 1.00 0.23 C ATOM 459 CG TRP A 31 13.392 7.185 3.919 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.132 5.917 3.539 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.629 7.936 2.695 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.253 5.824 2.164 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.540 7.049 1.597 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.919 9.285 2.433 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.736 7.486 0.288 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.109 9.729 1.118 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.019 8.832 0.047 1.00 0.21 C ATOM 0 H TRP A 31 11.240 6.482 5.162 1.00 0.22 H new ATOM 0 HA TRP A 31 12.136 8.771 6.682 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.246 8.351 5.485 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.565 6.825 6.012 1.00 0.23 H new ATOM 0 HD1 TRP A 31 12.871 5.105 4.202 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.144 4.958 1.636 1.00 0.25 H new ATOM 0 HE3 TRP A 31 13.996 9.985 3.252 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.669 6.789 -0.534 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.326 10.770 0.929 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.168 9.181 -0.964 1.00 0.21 H new ATOM 478 N CYS A 32 11.109 9.304 3.652 1.00 0.18 N ATOM 479 CA CYS A 32 10.859 10.406 2.679 1.00 0.17 C ATOM 480 C CYS A 32 9.714 11.255 3.236 1.00 0.17 C ATOM 481 O CYS A 32 8.610 10.784 3.427 1.00 0.20 O ATOM 482 CB CYS A 32 10.497 9.802 1.306 1.00 0.18 C ATOM 483 SG CYS A 32 10.714 11.044 -0.004 1.00 0.26 S ATOM 0 H CYS A 32 10.647 8.420 3.438 1.00 0.18 H new ATOM 0 HA CYS A 32 11.742 11.030 2.542 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.127 8.936 1.104 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.465 9.450 1.316 1.00 0.18 H new ATOM 488 N GLY A 33 9.988 12.496 3.541 1.00 0.20 N ATOM 489 CA GLY A 33 8.944 13.377 4.137 1.00 0.23 C ATOM 490 C GLY A 33 7.732 13.517 3.211 1.00 0.21 C ATOM 491 O GLY A 33 6.610 13.336 3.638 1.00 0.22 O ATOM 0 H GLY A 33 10.896 12.939 3.401 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.625 12.968 5.096 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.367 14.362 4.335 1.00 0.23 H new ATOM 495 N PRO A 34 7.935 13.847 1.964 1.00 0.21 N ATOM 496 CA PRO A 34 6.793 14.002 1.018 1.00 0.22 C ATOM 497 C PRO A 34 5.906 12.748 0.974 1.00 0.22 C ATOM 498 O PRO A 34 4.703 12.830 0.826 1.00 0.24 O ATOM 499 CB PRO A 34 7.524 14.223 -0.318 1.00 0.29 C ATOM 500 CG PRO A 34 8.950 14.679 0.019 1.00 0.31 C ATOM 501 CD PRO A 34 9.290 14.106 1.403 1.00 0.24 C ATOM 0 HA PRO A 34 6.107 14.804 1.289 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.542 13.304 -0.904 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.011 14.974 -0.918 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.656 14.322 -0.730 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.015 15.767 0.025 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.885 13.196 1.334 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.856 14.812 2.010 1.00 0.24 H new ATOM 509 N ALA A 35 6.497 11.592 1.104 1.00 0.21 N ATOM 510 CA ALA A 35 5.698 10.334 1.067 1.00 0.23 C ATOM 511 C ALA A 35 5.010 10.119 2.424 1.00 0.23 C ATOM 512 O ALA A 35 3.825 9.858 2.496 1.00 0.22 O ATOM 513 CB ALA A 35 6.636 9.163 0.741 1.00 0.24 C ATOM 0 H ALA A 35 7.500 11.464 1.234 1.00 0.21 H new ATOM 0 HA ALA A 35 4.927 10.399 0.300 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.064 8.236 0.711 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.105 9.332 -0.228 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.406 9.089 1.509 1.00 0.24 H new ATOM 519 N LYS A 36 5.739 10.250 3.502 1.00 0.25 N ATOM 520 CA LYS A 36 5.114 10.076 4.844 1.00 0.27 C ATOM 521 C LYS A 36 4.004 11.119 4.993 1.00 0.26 C ATOM 522 O LYS A 36 2.994 10.891 5.625 1.00 0.27 O ATOM 523 CB LYS A 36 6.166 10.273 5.938 1.00 0.33 C ATOM 524 CG LYS A 36 5.587 9.857 7.293 1.00 0.37 C ATOM 525 CD LYS A 36 6.584 10.214 8.399 1.00 0.44 C ATOM 526 CE LYS A 36 6.021 9.801 9.761 1.00 0.89 C ATOM 527 NZ LYS A 36 6.990 10.172 10.831 1.00 1.59 N ATOM 0 H LYS A 36 6.735 10.469 3.510 1.00 0.25 H new ATOM 0 HA LYS A 36 4.701 9.072 4.939 1.00 0.27 H new ATOM 0 HB2 LYS A 36 7.053 9.681 5.714 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.479 11.316 5.971 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.637 10.363 7.466 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.384 8.786 7.302 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.534 9.710 8.221 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.784 11.285 8.388 1.00 0.44 H new ATOM 0 HE2 LYS A 36 5.064 10.293 9.935 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.836 8.727 9.780 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 6.609 9.892 11.757 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 7.893 9.683 10.666 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 7.145 11.200 10.817 1.00 1.59 H new ATOM 541 N MET A 37 4.202 12.264 4.403 1.00 0.28 N ATOM 542 CA MET A 37 3.188 13.355 4.478 1.00 0.30 C ATOM 543 C MET A 37 1.869 12.874 3.881 1.00 0.25 C ATOM 544 O MET A 37 0.811 13.325 4.258 1.00 0.25 O ATOM 545 CB MET A 37 3.693 14.548 3.664 1.00 0.38 C ATOM 546 CG MET A 37 2.770 15.753 3.854 1.00 0.44 C ATOM 547 SD MET A 37 3.023 16.448 5.503 1.00 1.54 S ATOM 548 CE MET A 37 2.119 17.992 5.232 1.00 2.10 C ATOM 0 H MET A 37 5.036 12.495 3.863 1.00 0.28 H new ATOM 0 HA MET A 37 3.033 13.640 5.518 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.706 14.805 3.974 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.741 14.282 2.608 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.976 16.507 3.094 1.00 0.44 H new ATOM 0 HG3 MET A 37 1.730 15.452 3.730 1.00 0.44 H new ATOM 0 HE1 MET A 37 2.145 18.593 6.141 1.00 2.10 H new ATOM 0 HE2 MET A 37 2.583 18.547 4.416 1.00 2.10 H new ATOM 0 HE3 MET A 37 1.084 17.767 4.975 1.00 2.10 H new ATOM 558 N ILE A 38 1.935 11.984 2.928 1.00 0.23 N ATOM 559 CA ILE A 38 0.695 11.479 2.264 1.00 0.25 C ATOM 560 C ILE A 38 0.063 10.342 3.078 1.00 0.26 C ATOM 561 O ILE A 38 -0.964 9.809 2.710 1.00 0.31 O ATOM 562 CB ILE A 38 1.041 10.975 0.853 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.635 12.138 0.046 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.227 10.460 0.158 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.300 11.613 -1.226 1.00 0.49 C ATOM 0 H ILE A 38 2.803 11.580 2.576 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.024 12.296 2.200 1.00 0.25 H new ATOM 0 HB ILE A 38 1.762 10.161 0.919 1.00 0.33 H new ATOM 0 HG12 ILE A 38 0.850 12.849 -0.212 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.365 12.675 0.652 1.00 0.34 H new ATOM 0 HG21 ILE A 38 0.025 10.104 -0.841 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.653 9.641 0.738 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.955 11.268 0.083 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.717 12.448 -1.789 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.098 10.920 -0.960 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.560 11.097 -1.837 1.00 0.49 H new ATOM 577 N LYS A 39 0.664 9.940 4.167 1.00 0.27 N ATOM 578 CA LYS A 39 0.069 8.812 4.944 1.00 0.34 C ATOM 579 C LYS A 39 -1.363 9.121 5.465 1.00 0.30 C ATOM 580 O LYS A 39 -2.129 8.203 5.640 1.00 0.33 O ATOM 581 CB LYS A 39 0.980 8.377 6.124 1.00 0.46 C ATOM 582 CG LYS A 39 0.863 9.297 7.363 1.00 0.50 C ATOM 583 CD LYS A 39 1.408 8.563 8.603 1.00 0.65 C ATOM 584 CE LYS A 39 0.510 7.364 8.977 1.00 0.80 C ATOM 585 NZ LYS A 39 1.091 6.111 8.414 1.00 0.75 N ATOM 0 H LYS A 39 1.524 10.334 4.547 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.010 7.985 4.239 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.726 7.357 6.413 1.00 0.46 H new ATOM 0 HB3 LYS A 39 2.017 8.364 5.787 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.421 10.219 7.199 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.178 9.579 7.523 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.422 8.215 8.407 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.465 9.255 9.443 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.426 7.283 10.061 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.497 7.516 8.590 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.378 5.630 7.829 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.919 6.344 7.830 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.381 5.483 9.191 1.00 0.75 H new ATOM 599 N PRO A 40 -1.741 10.359 5.776 1.00 0.26 N ATOM 600 CA PRO A 40 -3.109 10.603 6.325 1.00 0.25 C ATOM 601 C PRO A 40 -4.216 10.164 5.372 1.00 0.20 C ATOM 602 O PRO A 40 -5.195 9.591 5.785 1.00 0.21 O ATOM 603 CB PRO A 40 -3.111 12.128 6.531 1.00 0.26 C ATOM 604 CG PRO A 40 -1.653 12.579 6.510 1.00 0.28 C ATOM 605 CD PRO A 40 -0.910 11.587 5.612 1.00 0.27 C ATOM 0 HA PRO A 40 -3.308 10.032 7.232 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.680 12.623 5.744 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.583 12.389 7.478 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.566 13.594 6.123 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.233 12.583 7.516 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.872 11.921 4.575 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.119 11.432 5.935 1.00 0.27 H new ATOM 613 N PHE A 41 -4.084 10.433 4.102 1.00 0.16 N ATOM 614 CA PHE A 41 -5.162 10.012 3.169 1.00 0.13 C ATOM 615 C PHE A 41 -5.168 8.486 3.081 1.00 0.13 C ATOM 616 O PHE A 41 -6.186 7.842 3.186 1.00 0.15 O ATOM 617 CB PHE A 41 -4.887 10.584 1.777 1.00 0.14 C ATOM 618 CG PHE A 41 -5.261 12.043 1.723 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.416 13.000 2.295 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.451 12.441 1.095 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.759 14.355 2.244 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.792 13.797 1.046 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.945 14.754 1.620 1.00 0.37 C ATOM 0 H PHE A 41 -3.292 10.916 3.678 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.123 10.376 3.532 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -3.832 10.463 1.530 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.455 10.029 1.030 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.499 12.693 2.776 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.102 11.703 0.651 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -4.107 15.094 2.687 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.709 14.106 0.566 1.00 0.31 H new ATOM 0 HZ PHE A 41 -6.208 15.801 1.580 1.00 0.37 H new ATOM 633 N PHE A 42 -4.019 7.900 2.929 1.00 0.12 N ATOM 634 CA PHE A 42 -3.945 6.420 2.858 1.00 0.13 C ATOM 635 C PHE A 42 -4.425 5.819 4.180 1.00 0.14 C ATOM 636 O PHE A 42 -5.286 4.962 4.215 1.00 0.16 O ATOM 637 CB PHE A 42 -2.490 6.027 2.570 1.00 0.13 C ATOM 638 CG PHE A 42 -2.368 4.526 2.507 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.735 3.839 1.344 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.905 3.818 3.624 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.641 2.443 1.297 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.807 2.422 3.576 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.177 1.733 2.414 1.00 0.13 C ATOM 0 H PHE A 42 -3.125 8.384 2.851 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.586 6.038 2.064 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.165 6.467 1.627 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.837 6.422 3.348 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.091 4.386 0.483 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.624 4.349 4.522 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.926 1.913 0.400 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.446 1.876 4.435 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.105 0.656 2.378 1.00 0.13 H new ATOM 653 N HIS A 43 -3.871 6.274 5.262 1.00 0.16 N ATOM 654 CA HIS A 43 -4.256 5.749 6.600 1.00 0.18 C ATOM 655 C HIS A 43 -5.705 6.140 6.954 1.00 0.16 C ATOM 656 O HIS A 43 -6.444 5.355 7.511 1.00 0.16 O ATOM 657 CB HIS A 43 -3.273 6.331 7.625 1.00 0.23 C ATOM 658 CG HIS A 43 -3.608 5.834 8.998 1.00 0.27 C ATOM 659 ND1 HIS A 43 -2.989 4.727 9.551 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.529 6.251 9.919 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.548 4.512 10.757 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.494 5.415 11.031 1.00 0.31 N ATOM 0 H HIS A 43 -3.155 7.000 5.279 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.211 4.660 6.602 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.253 6.046 7.365 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.315 7.420 7.603 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.185 7.101 9.801 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.266 3.708 11.421 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.066 5.478 11.873 1.00 0.31 H new ATOM 670 N SER A 44 -6.116 7.343 6.640 1.00 0.15 N ATOM 671 CA SER A 44 -7.516 7.773 6.964 1.00 0.15 C ATOM 672 C SER A 44 -8.535 6.929 6.193 1.00 0.13 C ATOM 673 O SER A 44 -9.612 6.645 6.675 1.00 0.15 O ATOM 674 CB SER A 44 -7.718 9.241 6.592 1.00 0.18 C ATOM 675 OG SER A 44 -6.866 10.054 7.391 1.00 0.22 O ATOM 0 H SER A 44 -5.545 8.048 6.173 1.00 0.15 H new ATOM 0 HA SER A 44 -7.667 7.636 8.035 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.498 9.393 5.535 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.759 9.526 6.745 1.00 0.18 H new ATOM 0 HG SER A 44 -5.932 9.896 7.139 1.00 0.22 H new ATOM 681 N LEU A 45 -8.221 6.567 4.982 1.00 0.12 N ATOM 682 CA LEU A 45 -9.191 5.785 4.165 1.00 0.14 C ATOM 683 C LEU A 45 -9.461 4.428 4.804 1.00 0.13 C ATOM 684 O LEU A 45 -10.462 3.800 4.529 1.00 0.15 O ATOM 685 CB LEU A 45 -8.638 5.596 2.753 1.00 0.16 C ATOM 686 CG LEU A 45 -8.694 6.936 1.990 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.719 6.900 0.808 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.117 7.201 1.467 1.00 0.22 C ATOM 0 H LEU A 45 -7.336 6.778 4.522 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.131 6.335 4.116 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.610 5.235 2.800 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.217 4.840 2.223 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.414 7.736 2.675 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.762 7.848 0.272 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.706 6.737 1.177 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -7.995 6.089 0.134 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.137 8.150 0.932 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.412 6.398 0.792 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.811 7.243 2.306 1.00 0.22 H new ATOM 700 N SER A 46 -8.588 3.959 5.648 1.00 0.12 N ATOM 701 CA SER A 46 -8.831 2.635 6.274 1.00 0.12 C ATOM 702 C SER A 46 -10.204 2.658 6.949 1.00 0.14 C ATOM 703 O SER A 46 -10.919 1.676 6.947 1.00 0.16 O ATOM 704 CB SER A 46 -7.752 2.350 7.320 1.00 0.13 C ATOM 705 OG SER A 46 -6.480 2.348 6.686 1.00 0.14 O ATOM 0 H SER A 46 -7.727 4.429 5.928 1.00 0.12 H new ATOM 0 HA SER A 46 -8.800 1.855 5.513 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.780 3.106 8.105 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.936 1.388 7.798 1.00 0.13 H new ATOM 0 HG SER A 46 -6.080 3.240 6.753 1.00 0.14 H new ATOM 711 N GLU A 47 -10.583 3.769 7.525 1.00 0.15 N ATOM 712 CA GLU A 47 -11.916 3.847 8.191 1.00 0.18 C ATOM 713 C GLU A 47 -12.985 4.271 7.173 1.00 0.18 C ATOM 714 O GLU A 47 -14.167 4.109 7.407 1.00 0.21 O ATOM 715 CB GLU A 47 -11.858 4.892 9.311 1.00 0.22 C ATOM 716 CG GLU A 47 -10.993 4.378 10.464 1.00 0.23 C ATOM 717 CD GLU A 47 -9.520 4.384 10.049 1.00 1.34 C ATOM 718 OE1 GLU A 47 -9.175 5.162 9.177 1.00 2.16 O ATOM 719 OE2 GLU A 47 -8.764 3.606 10.606 1.00 2.05 O ATOM 0 H GLU A 47 -10.028 4.624 7.563 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.170 2.869 8.600 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.448 5.826 8.927 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.864 5.109 9.669 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -11.135 5.005 11.345 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.299 3.368 10.738 1.00 0.23 H new ATOM 726 N LYS A 48 -12.592 4.798 6.035 1.00 0.17 N ATOM 727 CA LYS A 48 -13.617 5.199 5.024 1.00 0.19 C ATOM 728 C LYS A 48 -14.057 3.934 4.305 1.00 0.18 C ATOM 729 O LYS A 48 -15.216 3.749 3.991 1.00 0.21 O ATOM 730 CB LYS A 48 -13.029 6.191 4.015 1.00 0.20 C ATOM 731 CG LYS A 48 -14.134 6.660 3.058 1.00 0.30 C ATOM 732 CD LYS A 48 -13.535 7.556 1.970 1.00 0.82 C ATOM 733 CE LYS A 48 -14.653 8.067 1.056 1.00 1.03 C ATOM 734 NZ LYS A 48 -14.088 9.006 0.045 1.00 1.78 N ATOM 0 H LYS A 48 -11.622 4.965 5.768 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.459 5.688 5.515 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.598 7.045 4.537 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.222 5.720 3.454 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.623 5.799 2.603 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.899 7.206 3.611 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -13.010 8.396 2.424 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -12.801 6.998 1.388 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -15.139 7.229 0.556 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.417 8.571 1.648 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -14.850 9.350 -0.573 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -13.644 9.812 0.530 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -13.375 8.511 -0.528 1.00 1.78 H new ATOM 748 N TYR A 49 -13.124 3.045 4.070 1.00 0.16 N ATOM 749 CA TYR A 49 -13.443 1.744 3.406 1.00 0.17 C ATOM 750 C TYR A 49 -12.967 0.630 4.334 1.00 0.16 C ATOM 751 O TYR A 49 -12.049 -0.105 4.026 1.00 0.16 O ATOM 752 CB TYR A 49 -12.705 1.634 2.061 1.00 0.17 C ATOM 753 CG TYR A 49 -13.203 2.699 1.109 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.489 2.598 0.565 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.385 3.784 0.770 1.00 0.19 C ATOM 756 CE1 TYR A 49 -14.957 3.580 -0.315 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.856 4.765 -0.109 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.141 4.664 -0.651 1.00 0.21 C ATOM 759 OH TYR A 49 -14.605 5.635 -1.516 1.00 0.25 O ATOM 0 H TYR A 49 -12.141 3.168 4.314 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.514 1.671 3.217 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.632 1.746 2.215 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.864 0.646 1.629 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.120 1.761 0.825 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.392 3.863 1.187 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -15.949 3.500 -0.735 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.226 5.602 -0.370 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.029 6.426 -1.460 1.00 0.25 H new ATOM 769 N SER A 50 -13.596 0.500 5.472 1.00 0.17 N ATOM 770 CA SER A 50 -13.192 -0.557 6.432 1.00 0.18 C ATOM 771 C SER A 50 -13.431 -1.913 5.774 1.00 0.19 C ATOM 772 O SER A 50 -13.068 -2.951 6.291 1.00 0.21 O ATOM 773 CB SER A 50 -14.010 -0.417 7.717 1.00 0.20 C ATOM 774 OG SER A 50 -15.357 -0.795 7.470 1.00 0.22 O ATOM 0 H SER A 50 -14.375 1.085 5.775 1.00 0.17 H new ATOM 0 HA SER A 50 -12.138 -0.464 6.692 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.584 -1.043 8.501 1.00 0.20 H new ATOM 0 HB3 SER A 50 -13.970 0.612 8.075 1.00 0.20 H new ATOM 0 HG SER A 50 -15.878 -0.706 8.295 1.00 0.22 H new ATOM 780 N ASN A 51 -14.023 -1.896 4.611 1.00 0.20 N ATOM 781 CA ASN A 51 -14.278 -3.157 3.868 1.00 0.23 C ATOM 782 C ASN A 51 -12.997 -3.592 3.162 1.00 0.19 C ATOM 783 O ASN A 51 -12.846 -4.741 2.798 1.00 0.22 O ATOM 784 CB ASN A 51 -15.386 -2.913 2.828 1.00 0.32 C ATOM 785 CG ASN A 51 -15.357 -4.005 1.748 1.00 0.54 C ATOM 786 OD1 ASN A 51 -14.392 -4.119 1.017 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.363 -4.814 1.611 1.00 0.27 N ATOM 0 H ASN A 51 -14.344 -1.050 4.140 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.593 -3.939 4.559 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.359 -2.904 3.319 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.252 -1.934 2.368 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.340 -5.539 0.894 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -17.176 -4.725 2.220 1.00 0.27 H new ATOM 794 N VAL A 52 -12.080 -2.686 2.955 1.00 0.21 N ATOM 795 CA VAL A 52 -10.812 -3.041 2.264 1.00 0.17 C ATOM 796 C VAL A 52 -9.684 -3.065 3.290 1.00 0.13 C ATOM 797 O VAL A 52 -9.722 -2.355 4.274 1.00 0.14 O ATOM 798 CB VAL A 52 -10.515 -1.989 1.190 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.099 -2.206 0.611 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.568 -2.099 0.076 1.00 0.24 C ATOM 0 H VAL A 52 -12.158 -1.709 3.238 1.00 0.21 H new ATOM 0 HA VAL A 52 -10.899 -4.020 1.794 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.557 -0.993 1.632 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -8.898 -1.453 -0.151 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.362 -2.119 1.410 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.036 -3.199 0.166 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.364 -1.354 -0.693 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.528 -3.095 -0.365 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.560 -1.927 0.494 1.00 0.24 H new ATOM 810 N ILE A 53 -8.689 -3.890 3.086 1.00 0.11 N ATOM 811 CA ILE A 53 -7.569 -3.958 4.076 1.00 0.09 C ATOM 812 C ILE A 53 -6.387 -3.129 3.541 1.00 0.09 C ATOM 813 O ILE A 53 -5.860 -3.405 2.479 1.00 0.12 O ATOM 814 CB ILE A 53 -7.131 -5.424 4.232 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.361 -6.317 4.478 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.156 -5.563 5.416 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.183 -5.794 5.661 1.00 0.15 C ATOM 0 H ILE A 53 -8.602 -4.515 2.285 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.892 -3.566 5.040 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.632 -5.738 3.315 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.981 -6.345 3.582 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -8.040 -7.340 4.676 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.853 -6.605 5.517 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.276 -4.945 5.237 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.648 -5.238 6.333 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -10.047 -6.440 5.817 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.566 -5.790 6.559 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.521 -4.780 5.449 1.00 0.15 H new ATOM 829 N PHE A 54 -5.969 -2.117 4.266 1.00 0.08 N ATOM 830 CA PHE A 54 -4.817 -1.266 3.801 1.00 0.09 C ATOM 831 C PHE A 54 -3.526 -1.689 4.510 1.00 0.09 C ATOM 832 O PHE A 54 -3.458 -1.720 5.724 1.00 0.12 O ATOM 833 CB PHE A 54 -5.080 0.206 4.148 1.00 0.10 C ATOM 834 CG PHE A 54 -6.278 0.727 3.392 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.570 0.353 3.780 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.099 1.597 2.306 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.680 0.845 3.082 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.210 2.085 1.608 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.499 1.709 1.996 1.00 0.10 C ATOM 0 H PHE A 54 -6.374 -1.841 5.161 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.716 -1.393 2.723 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.248 0.308 5.220 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.202 0.804 3.905 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.711 -0.315 4.617 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.103 1.890 2.008 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.677 0.557 3.382 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.071 2.752 0.770 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.356 2.085 1.457 1.00 0.10 H new ATOM 849 N LEU A 55 -2.486 -1.990 3.760 1.00 0.09 N ATOM 850 CA LEU A 55 -1.174 -2.388 4.375 1.00 0.11 C ATOM 851 C LEU A 55 -0.143 -1.296 4.116 1.00 0.10 C ATOM 852 O LEU A 55 -0.084 -0.723 3.046 1.00 0.10 O ATOM 853 CB LEU A 55 -0.635 -3.706 3.771 1.00 0.12 C ATOM 854 CG LEU A 55 -1.480 -4.922 4.199 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.957 -4.720 3.853 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.958 -6.173 3.488 1.00 0.22 C ATOM 0 H LEU A 55 -2.491 -1.977 2.740 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.341 -2.530 5.443 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.630 -3.632 2.684 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.398 -3.853 4.085 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.395 -5.038 5.280 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.527 -5.594 4.167 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.334 -3.837 4.368 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.063 -4.585 2.777 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.552 -7.036 3.787 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.034 -6.037 2.409 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.084 -6.338 3.761 1.00 0.22 H new ATOM 868 N GLU A 56 0.696 -1.030 5.082 1.00 0.12 N ATOM 869 CA GLU A 56 1.764 -0.002 4.906 1.00 0.13 C ATOM 870 C GLU A 56 3.086 -0.749 4.826 1.00 0.13 C ATOM 871 O GLU A 56 3.348 -1.637 5.614 1.00 0.14 O ATOM 872 CB GLU A 56 1.789 0.957 6.098 1.00 0.15 C ATOM 873 CG GLU A 56 2.748 2.111 5.792 1.00 0.17 C ATOM 874 CD GLU A 56 2.861 3.023 7.015 1.00 0.20 C ATOM 875 OE1 GLU A 56 3.628 2.695 7.904 1.00 1.05 O ATOM 876 OE2 GLU A 56 2.177 4.032 7.042 1.00 1.13 O ATOM 0 H GLU A 56 0.687 -1.486 5.995 1.00 0.12 H new ATOM 0 HA GLU A 56 1.583 0.587 4.007 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.788 1.342 6.292 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.109 0.431 6.997 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.730 1.720 5.525 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.387 2.679 4.934 1.00 0.17 H new ATOM 883 N VAL A 57 3.906 -0.432 3.858 1.00 0.12 N ATOM 884 CA VAL A 57 5.204 -1.159 3.697 1.00 0.12 C ATOM 885 C VAL A 57 6.360 -0.151 3.616 1.00 0.11 C ATOM 886 O VAL A 57 6.315 0.807 2.869 1.00 0.13 O ATOM 887 CB VAL A 57 5.138 -1.975 2.406 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.391 -2.830 2.259 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.914 -2.886 2.447 1.00 0.14 C ATOM 0 H VAL A 57 3.734 0.301 3.170 1.00 0.12 H new ATOM 0 HA VAL A 57 5.375 -1.816 4.550 1.00 0.12 H new ATOM 0 HB VAL A 57 5.069 -1.293 1.559 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.332 -3.406 1.336 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.270 -2.186 2.229 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.469 -3.510 3.107 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.864 -3.469 1.528 1.00 0.14 H new ATOM 0 HG22 VAL A 57 3.990 -3.560 3.301 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.013 -2.280 2.542 1.00 0.14 H new ATOM 899 N ASP A 58 7.395 -0.369 4.383 1.00 0.10 N ATOM 900 CA ASP A 58 8.572 0.548 4.375 1.00 0.09 C ATOM 901 C ASP A 58 9.617 0.003 3.404 1.00 0.09 C ATOM 902 O ASP A 58 10.116 -1.090 3.579 1.00 0.09 O ATOM 903 CB ASP A 58 9.172 0.575 5.779 1.00 0.10 C ATOM 904 CG ASP A 58 10.221 1.688 5.877 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.474 2.329 4.871 1.00 1.02 O ATOM 906 OD2 ASP A 58 10.754 1.877 6.958 1.00 1.05 O ATOM 0 H ASP A 58 7.475 -1.157 5.025 1.00 0.10 H new ATOM 0 HA ASP A 58 8.269 1.550 4.071 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.386 0.738 6.517 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.629 -0.388 6.007 1.00 0.10 H new ATOM 911 N VAL A 59 9.980 0.744 2.398 1.00 0.09 N ATOM 912 CA VAL A 59 11.012 0.222 1.460 1.00 0.10 C ATOM 913 C VAL A 59 12.338 0.136 2.206 1.00 0.11 C ATOM 914 O VAL A 59 13.254 -0.547 1.796 1.00 0.12 O ATOM 915 CB VAL A 59 11.161 1.163 0.261 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.864 1.159 -0.542 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.456 2.587 0.748 1.00 0.16 C ATOM 0 H VAL A 59 9.616 1.673 2.185 1.00 0.09 H new ATOM 0 HA VAL A 59 10.715 -0.761 1.096 1.00 0.10 H new ATOM 0 HB VAL A 59 11.985 0.823 -0.366 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.964 1.827 -1.397 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.657 0.148 -0.893 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.044 1.499 0.090 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.561 3.251 -0.110 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.636 2.934 1.377 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.381 2.590 1.324 1.00 0.16 H new ATOM 927 N ASP A 60 12.453 0.851 3.293 1.00 0.10 N ATOM 928 CA ASP A 60 13.726 0.835 4.073 1.00 0.12 C ATOM 929 C ASP A 60 13.704 -0.232 5.173 1.00 0.13 C ATOM 930 O ASP A 60 14.657 -0.970 5.334 1.00 0.15 O ATOM 931 CB ASP A 60 13.936 2.221 4.686 1.00 0.14 C ATOM 932 CG ASP A 60 14.500 3.171 3.624 1.00 0.16 C ATOM 933 OD1 ASP A 60 14.404 2.845 2.452 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.044 4.194 4.005 1.00 1.07 O ATOM 0 H ASP A 60 11.719 1.447 3.676 1.00 0.10 H new ATOM 0 HA ASP A 60 14.548 0.587 3.402 1.00 0.12 H new ATOM 0 HB2 ASP A 60 12.992 2.607 5.070 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.621 2.156 5.531 1.00 0.14 H new ATOM 939 N ASP A 61 12.637 -0.349 5.923 1.00 0.13 N ATOM 940 CA ASP A 61 12.603 -1.399 6.997 1.00 0.15 C ATOM 941 C ASP A 61 11.942 -2.647 6.422 1.00 0.14 C ATOM 942 O ASP A 61 12.000 -3.719 6.991 1.00 0.19 O ATOM 943 CB ASP A 61 11.795 -0.903 8.200 1.00 0.16 C ATOM 944 CG ASP A 61 12.401 0.404 8.714 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.401 0.829 8.160 1.00 1.07 O ATOM 946 OD2 ASP A 61 11.851 0.961 9.651 1.00 1.01 O ATOM 0 H ASP A 61 11.798 0.226 5.844 1.00 0.13 H new ATOM 0 HA ASP A 61 13.618 -1.620 7.328 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.755 -0.747 7.914 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.799 -1.654 8.990 1.00 0.16 H new ATOM 951 N ALA A 62 11.309 -2.501 5.288 1.00 0.11 N ATOM 952 CA ALA A 62 10.624 -3.648 4.623 1.00 0.12 C ATOM 953 C ALA A 62 11.194 -3.774 3.205 1.00 0.11 C ATOM 954 O ALA A 62 10.493 -4.068 2.257 1.00 0.12 O ATOM 955 CB ALA A 62 9.105 -3.380 4.590 1.00 0.14 C ATOM 0 H ALA A 62 11.237 -1.617 4.785 1.00 0.11 H new ATOM 0 HA ALA A 62 10.791 -4.579 5.165 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.599 -4.215 4.105 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.732 -3.272 5.609 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.909 -2.464 4.033 1.00 0.14 H new ATOM 961 N GLN A 63 12.472 -3.528 3.065 1.00 0.11 N ATOM 962 CA GLN A 63 13.121 -3.596 1.725 1.00 0.12 C ATOM 963 C GLN A 63 12.967 -4.999 1.152 1.00 0.12 C ATOM 964 O GLN A 63 12.985 -5.192 -0.045 1.00 0.14 O ATOM 965 CB GLN A 63 14.607 -3.254 1.863 1.00 0.13 C ATOM 966 CG GLN A 63 15.308 -4.330 2.695 1.00 0.15 C ATOM 967 CD GLN A 63 16.692 -3.828 3.111 1.00 0.77 C ATOM 968 OE1 GLN A 63 17.554 -3.621 2.281 1.00 1.47 O ATOM 969 NE2 GLN A 63 16.939 -3.615 4.374 1.00 1.43 N ATOM 0 H GLN A 63 13.098 -3.281 3.831 1.00 0.11 H new ATOM 0 HA GLN A 63 12.645 -2.881 1.053 1.00 0.12 H new ATOM 0 HB2 GLN A 63 15.067 -3.185 0.877 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.723 -2.280 2.338 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.714 -4.567 3.578 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.401 -5.249 2.117 1.00 0.15 H new ATOM 0 HE21 GLN A 63 16.215 -3.789 5.072 1.00 1.43 H new ATOM 0 HE22 GLN A 63 17.856 -3.275 4.664 1.00 1.43 H new ATOM 978 N ASP A 64 12.793 -5.983 1.984 1.00 0.13 N ATOM 979 CA ASP A 64 12.614 -7.350 1.454 1.00 0.13 C ATOM 980 C ASP A 64 11.288 -7.402 0.697 1.00 0.15 C ATOM 981 O ASP A 64 11.177 -8.026 -0.339 1.00 0.16 O ATOM 982 CB ASP A 64 12.608 -8.358 2.608 1.00 0.17 C ATOM 983 CG ASP A 64 11.633 -7.905 3.696 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.473 -7.725 3.386 1.00 1.05 O ATOM 985 OD2 ASP A 64 12.065 -7.759 4.827 1.00 1.02 O ATOM 0 H ASP A 64 12.768 -5.897 3.000 1.00 0.13 H new ATOM 0 HA ASP A 64 13.433 -7.605 0.781 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.322 -9.343 2.239 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.611 -8.452 3.024 1.00 0.17 H new ATOM 990 N VAL A 65 10.282 -6.740 1.204 1.00 0.17 N ATOM 991 CA VAL A 65 8.964 -6.750 0.512 1.00 0.22 C ATOM 992 C VAL A 65 9.065 -5.963 -0.799 1.00 0.22 C ATOM 993 O VAL A 65 8.564 -6.373 -1.828 1.00 0.26 O ATOM 994 CB VAL A 65 7.909 -6.063 1.392 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.516 -6.424 0.879 1.00 0.35 C ATOM 996 CG2 VAL A 65 8.054 -6.503 2.849 1.00 0.32 C ATOM 0 H VAL A 65 10.317 -6.195 2.065 1.00 0.17 H new ATOM 0 HA VAL A 65 8.681 -7.785 0.317 1.00 0.22 H new ATOM 0 HB VAL A 65 8.054 -4.984 1.343 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.763 -5.939 1.500 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.409 -6.086 -0.152 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.381 -7.505 0.922 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.298 -6.005 3.456 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.922 -7.583 2.918 1.00 0.32 H new ATOM 0 HG23 VAL A 65 9.046 -6.235 3.213 1.00 0.32 H new ATOM 1006 N ALA A 66 9.691 -4.818 -0.757 1.00 0.19 N ATOM 1007 CA ALA A 66 9.806 -3.979 -1.983 1.00 0.22 C ATOM 1008 C ALA A 66 10.798 -4.596 -2.970 1.00 0.23 C ATOM 1009 O ALA A 66 10.613 -4.532 -4.169 1.00 0.26 O ATOM 1010 CB ALA A 66 10.274 -2.570 -1.593 1.00 0.25 C ATOM 0 H ALA A 66 10.129 -4.427 0.077 1.00 0.19 H new ATOM 0 HA ALA A 66 8.829 -3.925 -2.464 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.359 -1.954 -2.488 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.551 -2.122 -0.912 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.245 -2.632 -1.102 1.00 0.25 H new ATOM 1016 N SER A 67 11.860 -5.173 -2.481 1.00 0.21 N ATOM 1017 CA SER A 67 12.868 -5.764 -3.403 1.00 0.23 C ATOM 1018 C SER A 67 12.216 -6.857 -4.249 1.00 0.23 C ATOM 1019 O SER A 67 12.508 -7.006 -5.418 1.00 0.24 O ATOM 1020 CB SER A 67 14.012 -6.369 -2.588 1.00 0.23 C ATOM 1021 OG SER A 67 13.511 -7.443 -1.802 1.00 0.22 O ATOM 0 H SER A 67 12.073 -5.261 -1.487 1.00 0.21 H new ATOM 0 HA SER A 67 13.257 -4.984 -4.057 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.799 -6.726 -3.253 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.458 -5.610 -1.945 1.00 0.23 H new ATOM 0 HG SER A 67 12.619 -7.214 -1.466 1.00 0.22 H new ATOM 1027 N GLU A 68 11.327 -7.610 -3.673 1.00 0.23 N ATOM 1028 CA GLU A 68 10.643 -8.684 -4.443 1.00 0.25 C ATOM 1029 C GLU A 68 9.832 -8.055 -5.573 1.00 0.22 C ATOM 1030 O GLU A 68 9.742 -8.585 -6.665 1.00 0.24 O ATOM 1031 CB GLU A 68 9.712 -9.456 -3.504 1.00 0.29 C ATOM 1032 CG GLU A 68 9.123 -10.675 -4.222 1.00 0.32 C ATOM 1033 CD GLU A 68 8.029 -10.236 -5.199 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.459 -9.179 -4.985 1.00 1.96 O ATOM 1035 OE2 GLU A 68 7.780 -10.967 -6.142 1.00 2.06 O ATOM 0 H GLU A 68 11.042 -7.529 -2.697 1.00 0.23 H new ATOM 0 HA GLU A 68 11.380 -9.367 -4.866 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.262 -9.777 -2.619 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.908 -8.804 -3.161 1.00 0.29 H new ATOM 0 HG2 GLU A 68 9.910 -11.205 -4.760 1.00 0.32 H new ATOM 0 HG3 GLU A 68 8.711 -11.372 -3.492 1.00 0.32 H new ATOM 1042 N ALA A 69 9.216 -6.936 -5.306 1.00 0.20 N ATOM 1043 CA ALA A 69 8.380 -6.264 -6.339 1.00 0.20 C ATOM 1044 C ALA A 69 9.238 -5.379 -7.250 1.00 0.19 C ATOM 1045 O ALA A 69 8.735 -4.761 -8.166 1.00 0.20 O ATOM 1046 CB ALA A 69 7.332 -5.403 -5.636 1.00 0.23 C ATOM 0 H ALA A 69 9.257 -6.455 -4.408 1.00 0.20 H new ATOM 0 HA ALA A 69 7.900 -7.024 -6.956 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.712 -4.904 -6.381 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.705 -6.034 -5.006 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.830 -4.655 -5.019 1.00 0.23 H new ATOM 1052 N GLU A 70 10.518 -5.300 -7.008 1.00 0.18 N ATOM 1053 CA GLU A 70 11.388 -4.445 -7.872 1.00 0.18 C ATOM 1054 C GLU A 70 10.822 -3.031 -7.927 1.00 0.17 C ATOM 1055 O GLU A 70 10.692 -2.450 -8.987 1.00 0.18 O ATOM 1056 CB GLU A 70 11.457 -5.000 -9.298 1.00 0.22 C ATOM 1057 CG GLU A 70 12.246 -6.308 -9.309 1.00 0.24 C ATOM 1058 CD GLU A 70 11.395 -7.429 -8.708 1.00 1.24 C ATOM 1059 OE1 GLU A 70 10.181 -7.336 -8.794 1.00 2.02 O ATOM 1060 OE2 GLU A 70 11.971 -8.359 -8.170 1.00 2.02 O ATOM 0 H GLU A 70 11.000 -5.788 -6.253 1.00 0.18 H new ATOM 0 HA GLU A 70 12.390 -4.438 -7.443 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.451 -5.169 -9.681 1.00 0.22 H new ATOM 0 HB3 GLU A 70 11.931 -4.273 -9.958 1.00 0.22 H new ATOM 0 HG2 GLU A 70 12.532 -6.563 -10.329 1.00 0.24 H new ATOM 0 HG3 GLU A 70 13.168 -6.193 -8.739 1.00 0.24 H new ATOM 1067 N VAL A 71 10.491 -2.460 -6.808 1.00 0.15 N ATOM 1068 CA VAL A 71 9.931 -1.088 -6.845 1.00 0.14 C ATOM 1069 C VAL A 71 10.998 -0.155 -7.404 1.00 0.14 C ATOM 1070 O VAL A 71 12.154 -0.225 -7.033 1.00 0.16 O ATOM 1071 CB VAL A 71 9.559 -0.640 -5.433 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.838 0.706 -5.512 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.637 -1.680 -4.785 1.00 0.15 C ATOM 0 H VAL A 71 10.582 -2.877 -5.882 1.00 0.15 H new ATOM 0 HA VAL A 71 9.037 -1.067 -7.469 1.00 0.14 H new ATOM 0 HB VAL A 71 10.462 -0.541 -4.830 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.568 1.034 -4.508 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.495 1.445 -5.971 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.935 0.600 -6.114 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.374 -1.356 -3.778 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.730 -1.784 -5.381 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.150 -2.640 -4.735 1.00 0.15 H new ATOM 1083 N LYS A 72 10.622 0.705 -8.318 1.00 0.15 N ATOM 1084 CA LYS A 72 11.603 1.640 -8.934 1.00 0.16 C ATOM 1085 C LYS A 72 11.373 3.056 -8.403 1.00 0.15 C ATOM 1086 O LYS A 72 12.188 3.935 -8.596 1.00 0.16 O ATOM 1087 CB LYS A 72 11.417 1.628 -10.456 1.00 0.19 C ATOM 1088 CG LYS A 72 11.714 0.223 -11.019 1.00 0.23 C ATOM 1089 CD LYS A 72 13.230 0.011 -11.158 1.00 0.74 C ATOM 1090 CE LYS A 72 13.496 -1.254 -11.978 1.00 0.88 C ATOM 1091 NZ LYS A 72 13.037 -1.046 -13.381 1.00 1.60 N ATOM 0 H LYS A 72 9.667 0.797 -8.664 1.00 0.15 H new ATOM 0 HA LYS A 72 12.616 1.325 -8.682 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.397 1.920 -10.707 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.081 2.360 -10.916 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.293 -0.536 -10.360 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.233 0.104 -11.990 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.686 0.874 -11.643 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.687 -0.079 -10.173 1.00 0.74 H new ATOM 0 HE2 LYS A 72 14.560 -1.492 -11.964 1.00 0.88 H new ATOM 0 HE3 LYS A 72 12.974 -2.103 -11.536 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 13.578 -1.664 -14.019 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 12.025 -1.275 -13.453 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 13.187 -0.053 -13.652 1.00 1.60 H new ATOM 1105 N ALA A 73 10.273 3.292 -7.737 1.00 0.13 N ATOM 1106 CA ALA A 73 10.022 4.663 -7.208 1.00 0.13 C ATOM 1107 C ALA A 73 8.944 4.640 -6.117 1.00 0.11 C ATOM 1108 O ALA A 73 8.085 3.785 -6.094 1.00 0.12 O ATOM 1109 CB ALA A 73 9.568 5.567 -8.359 1.00 0.14 C ATOM 0 H ALA A 73 9.547 2.604 -7.539 1.00 0.13 H new ATOM 0 HA ALA A 73 10.944 5.046 -6.770 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.382 6.572 -7.981 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.346 5.604 -9.121 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.652 5.168 -8.795 1.00 0.14 H new ATOM 1115 N THR A 74 8.976 5.608 -5.231 1.00 0.11 N ATOM 1116 CA THR A 74 7.954 5.700 -4.142 1.00 0.11 C ATOM 1117 C THR A 74 7.359 7.117 -4.177 1.00 0.12 C ATOM 1118 O THR A 74 8.026 8.035 -4.598 1.00 0.15 O ATOM 1119 CB THR A 74 8.643 5.474 -2.782 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.471 6.582 -2.484 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.485 4.206 -2.823 1.00 0.14 C ATOM 0 H THR A 74 9.678 6.348 -5.217 1.00 0.11 H new ATOM 0 HA THR A 74 7.174 4.951 -4.280 1.00 0.11 H new ATOM 0 HB THR A 74 7.880 5.367 -2.011 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.908 6.440 -1.619 1.00 0.15 H new ATOM 0 HG21 THR A 74 9.966 4.058 -1.856 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.846 3.352 -3.045 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.247 4.300 -3.597 1.00 0.14 H new ATOM 1129 N PRO A 75 6.147 7.322 -3.708 1.00 0.13 N ATOM 1130 CA PRO A 75 5.276 6.238 -3.175 1.00 0.10 C ATOM 1131 C PRO A 75 4.627 5.405 -4.286 1.00 0.09 C ATOM 1132 O PRO A 75 4.228 5.919 -5.312 1.00 0.10 O ATOM 1133 CB PRO A 75 4.236 7.038 -2.376 1.00 0.12 C ATOM 1134 CG PRO A 75 4.258 8.488 -2.893 1.00 0.15 C ATOM 1135 CD PRO A 75 5.564 8.693 -3.682 1.00 0.16 C ATOM 0 HA PRO A 75 5.817 5.498 -2.585 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.244 6.604 -2.499 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.467 7.009 -1.311 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.394 8.678 -3.530 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.201 9.190 -2.061 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.375 9.072 -4.686 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.226 9.406 -3.191 1.00 0.16 H new ATOM 1143 N THR A 76 4.495 4.122 -4.063 1.00 0.09 N ATOM 1144 CA THR A 76 3.843 3.225 -5.068 1.00 0.09 C ATOM 1145 C THR A 76 2.758 2.419 -4.376 1.00 0.10 C ATOM 1146 O THR A 76 2.950 1.880 -3.304 1.00 0.12 O ATOM 1147 CB THR A 76 4.872 2.281 -5.696 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.879 3.048 -6.340 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.184 1.366 -6.716 1.00 0.13 C ATOM 0 H THR A 76 4.815 3.651 -3.217 1.00 0.09 H new ATOM 0 HA THR A 76 3.408 3.832 -5.862 1.00 0.09 H new ATOM 0 HB THR A 76 5.324 1.666 -4.918 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.659 3.123 -5.752 1.00 0.11 H new ATOM 0 HG21 THR A 76 4.921 0.697 -7.160 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.414 0.778 -6.216 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.727 1.972 -7.498 1.00 0.13 H new ATOM 1157 N PHE A 77 1.613 2.350 -4.985 1.00 0.10 N ATOM 1158 CA PHE A 77 0.473 1.595 -4.388 1.00 0.10 C ATOM 1159 C PHE A 77 0.216 0.350 -5.234 1.00 0.10 C ATOM 1160 O PHE A 77 0.101 0.423 -6.444 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.769 2.484 -4.405 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.499 3.735 -3.604 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.690 3.744 -2.213 1.00 0.18 C ATOM 1164 CD2 PHE A 77 -0.060 4.896 -4.256 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.445 4.913 -1.480 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.187 6.064 -3.522 1.00 0.16 C ATOM 1167 CZ PHE A 77 -0.007 6.074 -2.134 1.00 0.19 C ATOM 0 H PHE A 77 1.411 2.789 -5.883 1.00 0.10 H new ATOM 0 HA PHE A 77 0.704 1.305 -3.363 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -1.030 2.745 -5.431 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.620 1.947 -3.986 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -1.026 2.850 -1.708 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.088 4.890 -5.326 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.594 4.920 -0.410 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.527 6.957 -4.026 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.181 6.975 -1.569 1.00 0.19 H new ATOM 1177 N GLN A 78 0.104 -0.792 -4.608 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.160 -2.053 -5.360 1.00 0.09 C ATOM 1179 C GLN A 78 -1.433 -2.675 -4.825 1.00 0.08 C ATOM 1180 O GLN A 78 -1.693 -2.668 -3.638 1.00 0.09 O ATOM 1181 CB GLN A 78 1.006 -3.028 -5.172 1.00 0.09 C ATOM 1182 CG GLN A 78 2.235 -2.498 -5.911 1.00 0.12 C ATOM 1183 CD GLN A 78 3.338 -3.559 -5.917 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.063 -4.739 -5.832 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.585 -3.184 -6.013 1.00 0.29 N ATOM 0 H GLN A 78 0.185 -0.905 -3.598 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.266 -1.834 -6.423 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.228 -3.146 -4.111 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.736 -4.013 -5.553 1.00 0.09 H new ATOM 0 HG2 GLN A 78 1.968 -2.233 -6.934 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.596 -1.589 -5.429 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.815 -2.193 -6.084 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.329 -3.882 -6.017 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.235 -3.206 -5.701 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.519 -3.831 -5.272 1.00 0.07 C ATOM 1196 C PHE A 79 -3.415 -5.341 -5.364 1.00 0.07 C ATOM 1197 O PHE A 79 -2.975 -5.884 -6.354 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.634 -3.337 -6.185 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.785 -1.857 -5.970 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.901 -0.973 -6.594 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.784 -1.370 -5.122 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -4.020 0.402 -6.378 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.900 0.003 -4.899 1.00 0.14 C ATOM 1204 CZ PHE A 79 -5.020 0.889 -5.526 1.00 0.12 C ATOM 0 H PHE A 79 -2.057 -3.235 -6.705 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.735 -3.556 -4.239 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.396 -3.549 -7.227 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.568 -3.852 -5.960 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.126 -1.353 -7.243 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.465 -2.055 -4.640 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.343 1.088 -6.866 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.670 0.380 -4.242 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.111 1.951 -5.354 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.840 -6.020 -4.332 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.800 -7.510 -4.322 1.00 0.08 C ATOM 1216 C PHE A 80 -5.188 -8.042 -3.981 1.00 0.09 C ATOM 1217 O PHE A 80 -5.913 -7.458 -3.202 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.799 -8.002 -3.273 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.384 -7.740 -3.732 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.750 -6.528 -3.421 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.696 -8.727 -4.454 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.569 -6.306 -3.835 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.623 -8.502 -4.864 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.256 -7.292 -4.554 1.00 0.15 C ATOM 0 H PHE A 80 -4.218 -5.598 -3.484 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.492 -7.869 -5.304 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.980 -7.497 -2.324 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.940 -9.069 -3.099 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.278 -5.768 -2.864 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.184 -9.660 -4.693 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.058 -5.372 -3.599 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.153 -9.262 -5.420 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.274 -7.119 -4.870 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.563 -9.156 -4.547 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.901 -9.733 -4.240 1.00 0.12 C ATOM 1236 C LYS A 81 -6.749 -11.257 -4.277 1.00 0.11 C ATOM 1237 O LYS A 81 -6.187 -11.808 -5.198 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.912 -9.254 -5.295 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.340 -9.547 -4.818 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.336 -9.426 -5.983 1.00 0.73 C ATOM 1241 CE LYS A 81 -10.544 -7.953 -6.354 1.00 1.02 C ATOM 1242 NZ LYS A 81 -11.592 -7.852 -7.411 1.00 1.68 N ATOM 0 H LYS A 81 -5.001 -9.691 -5.209 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.264 -9.417 -3.262 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.790 -8.185 -5.470 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.726 -9.756 -6.244 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.389 -10.550 -4.394 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.614 -8.852 -4.025 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.964 -9.977 -6.847 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -11.289 -9.876 -5.704 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -10.843 -7.384 -5.474 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -9.609 -7.521 -6.711 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -11.735 -6.853 -7.664 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.289 -8.383 -8.252 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.484 -8.250 -7.054 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.201 -11.935 -3.256 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.045 -13.421 -3.208 1.00 0.13 C ATOM 1258 C LYS A 82 -5.560 -13.760 -3.343 1.00 0.13 C ATOM 1259 O LYS A 82 -5.195 -14.811 -3.832 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.827 -14.097 -4.340 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.329 -13.881 -4.140 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.100 -14.887 -4.997 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.572 -14.489 -5.066 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.325 -15.540 -5.804 1.00 1.22 N ATOM 0 H LYS A 82 -7.673 -11.524 -2.450 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.439 -13.787 -2.260 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.517 -13.688 -5.302 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.604 -15.164 -4.361 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.590 -14.005 -3.089 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.602 -12.863 -4.418 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.676 -14.923 -6.001 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -10.004 -15.887 -4.574 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -11.977 -14.371 -4.061 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.679 -13.527 -5.568 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.330 -15.276 -5.855 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -11.941 -15.631 -6.766 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.231 -16.448 -5.307 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.702 -12.873 -2.921 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.243 -13.135 -3.027 1.00 0.16 C ATOM 1280 C GLY A 83 -2.790 -12.948 -4.475 1.00 0.16 C ATOM 1281 O GLY A 83 -1.805 -13.521 -4.900 1.00 0.23 O ATOM 0 H GLY A 83 -4.951 -11.975 -2.506 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.694 -12.457 -2.374 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.021 -14.149 -2.694 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.506 -12.153 -5.243 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.123 -11.926 -6.675 1.00 0.15 C ATOM 1287 C GLN A 84 -3.054 -10.430 -6.976 1.00 0.12 C ATOM 1288 O GLN A 84 -3.925 -9.680 -6.604 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.167 -12.573 -7.595 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.076 -14.099 -7.505 1.00 0.33 C ATOM 1291 CD GLN A 84 -2.798 -14.577 -8.195 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -1.998 -13.698 -8.733 1.00 0.95 O flip ATOM 1293 NE2 GLN A 84 -2.524 -15.760 -8.243 1.00 2.07 N flip ATOM 0 H GLN A 84 -4.340 -11.652 -4.937 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.144 -12.373 -6.849 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.167 -12.243 -7.312 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -4.005 -12.252 -8.624 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -4.077 -14.413 -6.461 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -4.948 -14.554 -7.976 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -3.150 -16.446 -7.822 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -1.668 -16.067 -8.704 1.00 2.07 H new ATOM 1302 N LYS A 85 -2.037 -9.995 -7.679 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.924 -8.543 -8.014 1.00 0.12 C ATOM 1304 C LYS A 85 -2.842 -8.214 -9.191 1.00 0.14 C ATOM 1305 O LYS A 85 -2.804 -8.862 -10.218 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.477 -8.218 -8.391 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.341 -6.710 -8.639 1.00 0.20 C ATOM 1308 CD LYS A 85 1.107 -6.355 -9.033 1.00 0.28 C ATOM 1309 CE LYS A 85 1.340 -6.584 -10.537 1.00 1.28 C ATOM 1310 NZ LYS A 85 1.443 -8.042 -10.821 1.00 1.82 N ATOM 0 H LYS A 85 -1.282 -10.582 -8.034 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.218 -7.949 -7.149 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.197 -8.529 -7.593 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.189 -8.772 -9.285 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -1.025 -6.403 -9.430 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.625 -6.161 -7.741 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.311 -5.314 -8.784 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.804 -6.963 -8.456 1.00 0.28 H new ATOM 0 HE2 LYS A 85 0.520 -6.151 -11.110 1.00 1.28 H new ATOM 0 HE3 LYS A 85 2.252 -6.078 -10.853 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 2.107 -8.197 -11.607 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 1.788 -8.537 -9.974 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 0.506 -8.412 -11.081 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.672 -7.207 -9.039 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.611 -6.815 -10.134 1.00 0.18 C ATOM 1326 C VAL A 86 -4.413 -5.338 -10.505 1.00 0.17 C ATOM 1327 O VAL A 86 -5.135 -4.806 -11.324 1.00 0.22 O ATOM 1328 CB VAL A 86 -6.053 -7.027 -9.663 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.318 -8.518 -9.457 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.272 -6.292 -8.339 1.00 0.26 C ATOM 0 H VAL A 86 -3.737 -6.637 -8.195 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.409 -7.431 -11.010 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.735 -6.638 -10.419 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.345 -8.662 -9.122 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.165 -9.048 -10.397 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.633 -8.909 -8.705 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.298 -6.443 -8.004 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.584 -6.682 -7.588 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.090 -5.227 -8.480 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.456 -4.659 -9.922 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.271 -3.221 -10.289 1.00 0.17 C ATOM 1342 C GLY A 87 -2.099 -2.593 -9.527 1.00 0.12 C ATOM 1343 O GLY A 87 -1.723 -3.034 -8.460 1.00 0.17 O ATOM 0 H GLY A 87 -2.809 -5.027 -9.224 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.095 -3.138 -11.362 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.185 -2.669 -10.072 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.535 -1.549 -10.081 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.394 -0.853 -9.420 1.00 0.13 C ATOM 1349 C GLU A 88 -0.199 0.517 -10.054 1.00 0.11 C ATOM 1350 O GLU A 88 -0.428 0.707 -11.232 1.00 0.14 O ATOM 1351 CB GLU A 88 0.887 -1.695 -9.577 1.00 0.21 C ATOM 1352 CG GLU A 88 2.129 -0.899 -9.134 1.00 0.58 C ATOM 1353 CD GLU A 88 2.569 0.072 -10.241 1.00 1.13 C ATOM 1354 OE1 GLU A 88 2.021 -0.006 -11.328 1.00 1.93 O ATOM 1355 OE2 GLU A 88 3.446 0.878 -9.976 1.00 1.87 O ATOM 0 H GLU A 88 -1.822 -1.147 -10.973 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.608 -0.728 -8.359 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.803 -2.605 -8.983 1.00 0.21 H new ATOM 0 HB3 GLU A 88 0.999 -2.002 -10.617 1.00 0.21 H new ATOM 0 HG2 GLU A 88 1.907 -0.344 -8.223 1.00 0.58 H new ATOM 0 HG3 GLU A 88 2.943 -1.585 -8.899 1.00 0.58 H new ATOM 1362 N PHE A 89 0.257 1.465 -9.287 1.00 0.10 N ATOM 1363 CA PHE A 89 0.507 2.817 -9.858 1.00 0.09 C ATOM 1364 C PHE A 89 1.383 3.631 -8.905 1.00 0.10 C ATOM 1365 O PHE A 89 1.459 3.355 -7.723 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.831 3.520 -10.136 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.443 4.078 -8.865 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.953 5.265 -8.309 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.521 3.419 -8.262 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.543 5.793 -7.151 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -3.104 3.942 -7.104 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.620 5.131 -6.548 1.00 0.14 C ATOM 0 H PHE A 89 0.467 1.364 -8.294 1.00 0.10 H new ATOM 0 HA PHE A 89 1.040 2.723 -10.804 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.677 4.328 -10.851 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.524 2.816 -10.596 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.121 5.775 -8.771 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.903 2.505 -8.692 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.166 6.711 -6.724 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.930 3.427 -6.637 1.00 0.13 H new ATOM 0 HZ PHE A 89 -3.075 5.537 -5.657 1.00 0.14 H new ATOM 1382 N SER A 90 2.058 4.623 -9.429 1.00 0.10 N ATOM 1383 CA SER A 90 2.960 5.474 -8.593 1.00 0.10 C ATOM 1384 C SER A 90 2.584 6.934 -8.760 1.00 0.09 C ATOM 1385 O SER A 90 1.935 7.315 -9.713 1.00 0.11 O ATOM 1386 CB SER A 90 4.412 5.296 -9.028 1.00 0.11 C ATOM 1387 OG SER A 90 4.544 5.669 -10.395 1.00 0.12 O ATOM 0 H SER A 90 2.022 4.883 -10.415 1.00 0.10 H new ATOM 0 HA SER A 90 2.850 5.172 -7.551 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.067 5.908 -8.408 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.720 4.259 -8.891 1.00 0.11 H new ATOM 0 HG SER A 90 5.476 5.557 -10.676 1.00 0.12 H new ATOM 1393 N GLY A 91 2.991 7.749 -7.830 1.00 0.09 N ATOM 1394 CA GLY A 91 2.674 9.200 -7.898 1.00 0.09 C ATOM 1395 C GLY A 91 1.955 9.614 -6.621 1.00 0.10 C ATOM 1396 O GLY A 91 1.142 8.884 -6.088 1.00 0.12 O ATOM 0 H GLY A 91 3.537 7.468 -7.016 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.589 9.779 -8.019 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.048 9.408 -8.766 1.00 0.09 H new ATOM 1400 N ALA A 92 2.247 10.778 -6.124 1.00 0.11 N ATOM 1401 CA ALA A 92 1.579 11.234 -4.882 1.00 0.14 C ATOM 1402 C ALA A 92 0.150 11.674 -5.201 1.00 0.13 C ATOM 1403 O ALA A 92 -0.187 12.832 -5.064 1.00 0.17 O ATOM 1404 CB ALA A 92 2.347 12.433 -4.332 1.00 0.18 C ATOM 0 H ALA A 92 2.919 11.433 -6.524 1.00 0.11 H new ATOM 0 HA ALA A 92 1.559 10.422 -4.155 1.00 0.14 H new ATOM 0 HB1 ALA A 92 1.869 12.782 -3.417 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.374 12.139 -4.116 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.347 13.235 -5.070 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.704 10.758 -5.613 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.126 11.127 -5.921 1.00 0.14 C ATOM 1412 C ASN A 93 -3.048 10.320 -5.005 1.00 0.13 C ATOM 1413 O ASN A 93 -3.363 9.178 -5.274 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.442 10.798 -7.377 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.777 11.442 -7.768 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.389 12.230 -6.921 1.00 0.88 O flip ATOM 1417 ND2 ASN A 93 -4.268 11.232 -8.859 1.00 0.75 N flip ATOM 0 H ASN A 93 -0.476 9.773 -5.748 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.274 12.195 -5.759 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.646 11.164 -8.025 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.493 9.718 -7.514 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -3.794 10.619 -9.522 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -5.154 11.669 -9.112 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.475 10.897 -3.922 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.363 10.159 -2.980 1.00 0.15 C ATOM 1426 C LYS A 94 -5.760 9.928 -3.578 1.00 0.15 C ATOM 1427 O LYS A 94 -6.407 8.938 -3.291 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.499 10.986 -1.704 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.884 12.452 -2.040 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.693 13.391 -1.811 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.168 14.833 -1.950 1.00 0.59 C ATOM 1432 NZ LYS A 94 -2.994 15.752 -1.904 1.00 1.06 N ATOM 0 H LYS A 94 -3.248 11.852 -3.645 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.921 9.184 -2.776 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.257 10.544 -1.057 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.560 10.969 -1.151 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.212 12.519 -3.077 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.724 12.764 -1.420 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.269 13.228 -0.820 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.904 13.183 -2.534 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.706 14.961 -2.889 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.865 15.076 -1.148 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.319 16.735 -1.999 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.499 15.637 -0.997 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.345 15.525 -2.684 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.238 10.824 -4.397 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.591 10.641 -4.987 1.00 0.15 C ATOM 1448 C GLU A 95 -7.579 9.400 -5.878 1.00 0.15 C ATOM 1449 O GLU A 95 -8.576 8.731 -6.058 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.948 11.871 -5.825 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.942 13.121 -4.937 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.088 13.053 -3.922 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -10.041 12.337 -4.177 1.00 1.55 O ATOM 1454 OE2 GLU A 95 -8.990 13.723 -2.907 1.00 1.61 O ATOM 0 H GLU A 95 -5.750 11.673 -4.682 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.329 10.518 -4.195 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.233 11.988 -6.639 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.930 11.741 -6.280 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -6.988 13.201 -4.415 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -8.044 14.014 -5.553 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.448 9.107 -6.447 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.328 7.928 -7.344 1.00 0.15 C ATOM 1463 C LYS A 96 -6.650 6.660 -6.560 1.00 0.14 C ATOM 1464 O LYS A 96 -7.240 5.731 -7.074 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.895 7.877 -7.861 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.768 6.871 -9.009 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.501 7.181 -9.811 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.382 6.195 -10.973 1.00 0.82 C ATOM 1469 NZ LYS A 96 -2.180 6.528 -11.787 1.00 1.45 N ATOM 0 H LYS A 96 -5.588 9.642 -6.327 1.00 0.14 H new ATOM 0 HA LYS A 96 -7.024 8.005 -8.179 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.591 8.866 -8.203 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.221 7.599 -7.051 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.725 5.855 -8.616 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.644 6.925 -9.655 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.537 8.203 -10.189 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.624 7.110 -9.168 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -3.306 5.176 -10.593 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.277 6.238 -11.593 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -2.099 5.857 -12.577 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.271 7.494 -12.161 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.329 6.466 -11.192 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.275 6.618 -5.316 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.572 5.420 -4.492 1.00 0.13 C ATOM 1485 C LEU A 97 -8.078 5.227 -4.447 1.00 0.14 C ATOM 1486 O LEU A 97 -8.589 4.127 -4.480 1.00 0.15 O ATOM 1487 CB LEU A 97 -6.105 5.671 -3.055 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.586 5.567 -2.944 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -4.170 6.061 -1.555 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -4.135 4.104 -3.143 1.00 0.19 C ATOM 0 H LEU A 97 -5.774 7.364 -4.833 1.00 0.13 H new ATOM 0 HA LEU A 97 -6.071 4.550 -4.917 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.429 6.660 -2.732 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.572 4.948 -2.386 1.00 0.13 H new ATOM 0 HG LEU A 97 -4.114 6.176 -3.715 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -3.087 5.995 -1.455 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.484 7.097 -1.428 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.643 5.443 -0.792 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -3.050 4.044 -3.061 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.592 3.475 -2.379 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.445 3.759 -4.129 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.779 6.306 -4.335 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.259 6.225 -4.230 1.00 0.15 C ATOM 1504 C GLU A 98 -10.865 5.598 -5.483 1.00 0.16 C ATOM 1505 O GLU A 98 -11.764 4.784 -5.404 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.815 7.642 -4.053 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.317 7.585 -3.745 1.00 0.21 C ATOM 1508 CD GLU A 98 -13.105 7.316 -5.031 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.726 7.854 -6.059 1.00 2.00 O ATOM 1510 OE2 GLU A 98 -14.075 6.578 -4.963 1.00 2.10 O ATOM 0 H GLU A 98 -8.394 7.250 -4.311 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.519 5.599 -3.376 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.289 8.149 -3.244 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.643 8.224 -4.959 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.518 6.801 -3.015 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.641 8.526 -3.300 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.412 5.984 -6.635 1.00 0.16 N ATOM 1518 CA ALA A 99 -11.004 5.423 -7.882 1.00 0.17 C ATOM 1519 C ALA A 99 -10.658 3.940 -8.055 1.00 0.16 C ATOM 1520 O ALA A 99 -11.497 3.143 -8.426 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.487 6.210 -9.087 1.00 0.19 C ATOM 0 H ALA A 99 -9.661 6.660 -6.772 1.00 0.16 H new ATOM 0 HA ALA A 99 -12.088 5.509 -7.810 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.919 5.802 -10.001 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.773 7.257 -8.987 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.401 6.133 -9.133 1.00 0.19 H new ATOM 1527 N THR A 100 -9.434 3.562 -7.823 1.00 0.16 N ATOM 1528 CA THR A 100 -9.060 2.131 -8.017 1.00 0.16 C ATOM 1529 C THR A 100 -9.789 1.251 -6.995 1.00 0.15 C ATOM 1530 O THR A 100 -10.258 0.176 -7.314 1.00 0.15 O ATOM 1531 CB THR A 100 -7.550 1.967 -7.868 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.890 2.919 -8.692 1.00 0.19 O ATOM 1533 CG2 THR A 100 -7.158 0.557 -8.312 1.00 0.20 C ATOM 0 H THR A 100 -8.680 4.174 -7.510 1.00 0.16 H new ATOM 0 HA THR A 100 -9.355 1.820 -9.019 1.00 0.16 H new ATOM 0 HB THR A 100 -7.261 2.123 -6.829 1.00 0.17 H new ATOM 0 HG1 THR A 100 -6.864 3.785 -8.235 1.00 0.19 H new ATOM 0 HG21 THR A 100 -6.080 0.430 -8.209 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.671 -0.176 -7.690 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.443 0.411 -9.354 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.902 1.699 -5.774 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.616 0.886 -4.745 1.00 0.13 C ATOM 1543 C ILE A 101 -12.052 0.677 -5.204 1.00 0.14 C ATOM 1544 O ILE A 101 -12.551 -0.426 -5.236 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.617 1.650 -3.410 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.204 1.632 -2.806 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.607 1.007 -2.429 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.090 2.719 -1.736 1.00 0.16 C ATOM 0 H ILE A 101 -9.532 2.590 -5.444 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.120 -0.076 -4.614 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.923 2.680 -3.592 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.996 0.655 -2.370 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.462 1.797 -3.587 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.597 1.558 -1.489 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.610 1.034 -2.855 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.318 -0.028 -2.246 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.087 2.705 -1.309 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.279 3.694 -2.186 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.822 2.534 -0.950 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.707 1.737 -5.576 1.00 0.17 N ATOM 1561 CA ASN A 102 -14.109 1.633 -6.057 1.00 0.20 C ATOM 1562 C ASN A 102 -14.143 0.729 -7.282 1.00 0.19 C ATOM 1563 O ASN A 102 -15.078 -0.009 -7.508 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.619 3.021 -6.440 1.00 0.25 C ATOM 1565 CG ASN A 102 -16.093 2.932 -6.835 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.442 2.246 -7.777 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.975 3.609 -6.156 1.00 0.55 N ATOM 0 H ASN A 102 -12.326 2.683 -5.567 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.740 1.219 -5.271 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.497 3.709 -5.603 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -14.033 3.420 -7.268 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.961 3.565 -6.414 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.680 4.183 -5.367 1.00 0.55 H new ATOM 1574 N GLU A 103 -13.130 0.816 -8.088 1.00 0.18 N ATOM 1575 CA GLU A 103 -13.074 0.004 -9.326 1.00 0.18 C ATOM 1576 C GLU A 103 -12.923 -1.480 -8.969 1.00 0.16 C ATOM 1577 O GLU A 103 -13.509 -2.342 -9.596 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.862 0.472 -10.134 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.911 -0.108 -11.551 1.00 0.21 C ATOM 1580 CD GLU A 103 -11.590 -1.601 -11.517 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -10.549 -1.945 -10.992 1.00 2.04 O ATOM 1582 OE2 GLU A 103 -12.386 -2.372 -12.025 1.00 2.21 O ATOM 0 H GLU A 103 -12.326 1.425 -7.939 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.989 0.126 -9.906 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.846 1.561 -10.180 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.943 0.160 -9.638 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -12.899 0.050 -11.983 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -11.197 0.411 -12.190 1.00 0.21 H new ATOM 1589 N LEU A 104 -12.126 -1.788 -7.975 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.918 -3.219 -7.584 1.00 0.14 C ATOM 1591 C LEU A 104 -12.815 -3.609 -6.399 1.00 0.13 C ATOM 1592 O LEU A 104 -12.833 -4.755 -5.994 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.453 -3.423 -7.180 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.526 -3.268 -8.394 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -8.072 -3.313 -7.916 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.777 -4.401 -9.413 1.00 0.25 C ATOM 0 H LEU A 104 -11.609 -1.109 -7.416 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.175 -3.846 -8.438 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.179 -2.699 -6.412 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.326 -4.414 -6.744 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.728 -2.315 -8.883 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.404 -3.204 -8.771 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.895 -2.500 -7.211 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.880 -4.267 -7.425 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -9.112 -4.276 -10.267 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.584 -5.364 -8.941 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.813 -4.363 -9.751 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.551 -2.693 -5.826 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.412 -3.079 -4.666 1.00 0.15 C ATOM 1610 C VAL A 105 -15.512 -4.032 -5.147 1.00 0.16 C ATOM 1611 O VAL A 105 -15.910 -4.884 -4.369 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.051 -1.837 -4.015 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.218 -1.319 -4.870 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.566 -2.212 -2.618 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.935 -3.892 -6.282 1.00 1.08 O ATOM 0 H VAL A 105 -13.595 -1.712 -6.103 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.790 -3.574 -3.920 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.300 -1.050 -3.939 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.656 -0.442 -4.394 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.852 -1.049 -5.861 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.975 -2.098 -4.963 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.020 -1.338 -2.151 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.310 -3.004 -2.705 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.735 -2.561 -2.005 1.00 0.19 H new TER 1625 VAL A 105 ATOM 1626 N PRO B 59 14.125 17.346 -14.139 1.00 1.11 N ATOM 1627 CA PRO B 59 13.639 15.950 -14.343 1.00 1.14 C ATOM 1628 C PRO B 59 13.194 15.284 -13.032 1.00 1.00 C ATOM 1629 O PRO B 59 12.324 14.437 -13.023 1.00 1.04 O ATOM 1630 CB PRO B 59 14.849 15.224 -14.954 1.00 1.33 C ATOM 1631 CG PRO B 59 15.654 16.303 -15.614 1.00 1.46 C ATOM 1632 CD PRO B 59 15.430 17.574 -14.786 1.00 1.26 C ATOM 0 HA PRO B 59 12.755 15.918 -14.980 1.00 1.14 H new ATOM 0 HB2 PRO B 59 15.430 14.711 -14.188 1.00 1.33 H new ATOM 0 HB3 PRO B 59 14.534 14.469 -15.675 1.00 1.33 H new ATOM 0 HG2 PRO B 59 16.711 16.038 -15.641 1.00 1.46 H new ATOM 0 HG3 PRO B 59 15.335 16.450 -16.646 1.00 1.46 H new ATOM 0 HD2 PRO B 59 16.222 17.717 -14.051 1.00 1.26 H new ATOM 0 HD3 PRO B 59 15.415 18.464 -15.415 1.00 1.26 H new ATOM 1640 N ALA B 60 13.782 15.654 -11.925 1.00 0.88 N ATOM 1641 CA ALA B 60 13.384 15.030 -10.629 1.00 0.76 C ATOM 1642 C ALA B 60 12.045 15.609 -10.166 1.00 0.61 C ATOM 1643 O ALA B 60 11.859 16.809 -10.124 1.00 0.61 O ATOM 1644 CB ALA B 60 14.450 15.324 -9.575 1.00 0.78 C ATOM 0 H ALA B 60 14.517 16.358 -11.862 1.00 0.88 H new ATOM 0 HA ALA B 60 13.286 13.953 -10.764 1.00 0.76 H new ATOM 0 HB1 ALA B 60 14.160 14.869 -8.628 1.00 0.78 H new ATOM 0 HB2 ALA B 60 15.405 14.911 -9.899 1.00 0.78 H new ATOM 0 HB3 ALA B 60 14.546 16.402 -9.445 1.00 0.78 H new ATOM 1650 N THR B 61 11.112 14.757 -9.812 1.00 0.54 N ATOM 1651 CA THR B 61 9.772 15.243 -9.347 1.00 0.44 C ATOM 1652 C THR B 61 9.659 15.073 -7.825 1.00 0.34 C ATOM 1653 O THR B 61 9.951 14.024 -7.285 1.00 0.32 O ATOM 1654 CB THR B 61 8.681 14.407 -10.023 1.00 0.51 C ATOM 1655 OG1 THR B 61 8.917 14.368 -11.424 1.00 0.70 O ATOM 1656 CG2 THR B 61 7.319 15.050 -9.760 1.00 0.47 C ATOM 0 H THR B 61 11.221 13.743 -9.825 1.00 0.54 H new ATOM 0 HA THR B 61 9.656 16.296 -9.604 1.00 0.44 H new ATOM 0 HB THR B 61 8.694 13.394 -9.621 1.00 0.51 H new ATOM 0 HG1 THR B 61 8.221 13.832 -11.858 1.00 0.70 H new ATOM 0 HG21 THR B 61 6.539 14.459 -10.239 1.00 0.47 H new ATOM 0 HG22 THR B 61 7.137 15.089 -8.686 1.00 0.47 H new ATOM 0 HG23 THR B 61 7.309 16.061 -10.167 1.00 0.47 H new ATOM 1664 N LEU B 62 9.227 16.096 -7.132 1.00 0.34 N ATOM 1665 CA LEU B 62 9.084 15.991 -5.648 1.00 0.32 C ATOM 1666 C LEU B 62 7.960 15.010 -5.317 1.00 0.23 C ATOM 1667 O LEU B 62 7.969 14.361 -4.291 1.00 0.25 O ATOM 1668 CB LEU B 62 8.734 17.365 -5.063 1.00 0.40 C ATOM 1669 CG LEU B 62 9.948 18.308 -5.155 1.00 0.50 C ATOM 1670 CD1 LEU B 62 9.477 19.760 -5.027 1.00 0.61 C ATOM 1671 CD2 LEU B 62 10.949 18.007 -4.029 1.00 0.55 C ATOM 0 H LEU B 62 8.967 16.999 -7.529 1.00 0.34 H new ATOM 0 HA LEU B 62 10.023 15.640 -5.221 1.00 0.32 H new ATOM 0 HB2 LEU B 62 7.890 17.794 -5.603 1.00 0.40 H new ATOM 0 HB3 LEU B 62 8.426 17.258 -4.023 1.00 0.40 H new ATOM 0 HG LEU B 62 10.436 18.155 -6.117 1.00 0.50 H new ATOM 0 HD11 LEU B 62 10.336 20.428 -5.092 1.00 0.61 H new ATOM 0 HD12 LEU B 62 8.778 19.988 -5.832 1.00 0.61 H new ATOM 0 HD13 LEU B 62 8.982 19.898 -4.066 1.00 0.61 H new ATOM 0 HD21 LEU B 62 11.801 18.683 -4.109 1.00 0.55 H new ATOM 0 HD22 LEU B 62 10.464 18.148 -3.063 1.00 0.55 H new ATOM 0 HD23 LEU B 62 11.294 16.977 -4.115 1.00 0.55 H new ATOM 1683 N LYS B 63 6.987 14.918 -6.173 1.00 0.19 N ATOM 1684 CA LYS B 63 5.847 13.997 -5.925 1.00 0.14 C ATOM 1685 C LYS B 63 6.372 12.558 -5.843 1.00 0.12 C ATOM 1686 O LYS B 63 5.653 11.649 -5.470 1.00 0.12 O ATOM 1687 CB LYS B 63 4.859 14.114 -7.091 1.00 0.17 C ATOM 1688 CG LYS B 63 4.361 15.562 -7.223 1.00 0.20 C ATOM 1689 CD LYS B 63 3.278 15.861 -6.184 1.00 0.40 C ATOM 1690 CE LYS B 63 2.745 17.272 -6.417 1.00 0.35 C ATOM 1691 NZ LYS B 63 3.872 18.241 -6.304 1.00 1.31 N ATOM 0 H LYS B 63 6.931 15.447 -7.044 1.00 0.19 H new ATOM 0 HA LYS B 63 5.350 14.256 -4.990 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.341 13.802 -8.018 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.014 13.445 -6.930 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.195 16.251 -7.094 1.00 0.20 H new ATOM 0 HG3 LYS B 63 3.965 15.725 -8.225 1.00 0.20 H new ATOM 0 HD2 LYS B 63 2.469 15.135 -6.263 1.00 0.40 H new ATOM 0 HD3 LYS B 63 3.687 15.774 -5.177 1.00 0.40 H new ATOM 0 HE2 LYS B 63 2.285 17.343 -7.403 1.00 0.35 H new ATOM 0 HE3 LYS B 63 1.971 17.508 -5.686 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 3.495 19.190 -6.105 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 4.504 17.950 -5.531 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 4.404 18.260 -7.197 1.00 1.31 H new ATOM 1705 N ILE B 64 7.616 12.354 -6.222 1.00 0.11 N ATOM 1706 CA ILE B 64 8.237 10.977 -6.199 1.00 0.11 C ATOM 1707 C ILE B 64 9.597 11.018 -5.477 1.00 0.10 C ATOM 1708 O ILE B 64 10.374 11.932 -5.668 1.00 0.11 O ATOM 1709 CB ILE B 64 8.480 10.513 -7.648 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.146 10.303 -8.380 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.287 9.210 -7.664 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.263 9.288 -7.638 1.00 0.15 C ATOM 0 H ILE B 64 8.239 13.091 -6.551 1.00 0.11 H new ATOM 0 HA ILE B 64 7.564 10.296 -5.678 1.00 0.11 H new ATOM 0 HB ILE B 64 9.046 11.290 -8.162 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.620 11.254 -8.465 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.335 9.952 -9.394 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.450 8.896 -8.695 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.249 9.372 -7.177 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.737 8.435 -7.131 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.325 9.158 -8.178 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.781 8.331 -7.577 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.055 9.653 -6.632 1.00 0.15 H new ATOM 1724 N CYS B 65 9.910 10.016 -4.679 1.00 0.09 N ATOM 1725 CA CYS B 65 11.248 9.982 -3.996 1.00 0.10 C ATOM 1726 C CYS B 65 12.156 9.053 -4.814 1.00 0.10 C ATOM 1727 O CYS B 65 11.767 7.961 -5.174 1.00 0.11 O ATOM 1728 CB CYS B 65 11.134 9.436 -2.559 1.00 0.10 C ATOM 1729 SG CYS B 65 9.806 10.273 -1.650 1.00 0.19 S ATOM 0 H CYS B 65 9.299 9.225 -4.473 1.00 0.09 H new ATOM 0 HA CYS B 65 11.651 10.993 -3.936 1.00 0.10 H new ATOM 0 HB2 CYS B 65 10.940 8.364 -2.588 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.081 9.575 -2.037 1.00 0.10 H new ATOM 1734 N SER B 66 13.346 9.481 -5.146 1.00 0.12 N ATOM 1735 CA SER B 66 14.242 8.617 -5.978 1.00 0.14 C ATOM 1736 C SER B 66 14.953 7.567 -5.108 1.00 0.14 C ATOM 1737 O SER B 66 15.319 7.829 -3.981 1.00 0.15 O ATOM 1738 CB SER B 66 15.293 9.499 -6.652 1.00 0.18 C ATOM 1739 OG SER B 66 14.642 10.455 -7.481 1.00 0.20 O ATOM 0 H SER B 66 13.736 10.385 -4.880 1.00 0.12 H new ATOM 0 HA SER B 66 13.638 8.101 -6.724 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.897 10.005 -5.899 1.00 0.18 H new ATOM 0 HB3 SER B 66 15.971 8.887 -7.246 1.00 0.18 H new ATOM 0 HG SER B 66 15.313 11.024 -7.914 1.00 0.20 H new ATOM 1745 N TRP B 67 15.169 6.383 -5.637 1.00 0.15 N ATOM 1746 CA TRP B 67 15.882 5.326 -4.852 1.00 0.16 C ATOM 1747 C TRP B 67 17.382 5.582 -4.899 1.00 0.19 C ATOM 1748 O TRP B 67 18.142 5.050 -4.114 1.00 0.21 O ATOM 1749 CB TRP B 67 15.587 3.941 -5.434 1.00 0.16 C ATOM 1750 CG TRP B 67 14.167 3.601 -5.155 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.109 4.309 -5.584 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.635 2.498 -4.372 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.958 3.712 -5.117 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.234 2.593 -4.360 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.229 1.432 -3.676 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.447 1.670 -3.680 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.441 0.499 -2.994 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.052 0.621 -2.993 1.00 0.16 C ATOM 0 H TRP B 67 14.883 6.105 -6.576 1.00 0.15 H new ATOM 0 HA TRP B 67 15.533 5.360 -3.820 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.773 3.935 -6.508 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.248 3.196 -4.991 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.153 5.199 -6.194 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.017 4.056 -5.308 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.304 1.332 -3.667 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.371 1.766 -3.685 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.910 -0.318 -2.467 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.446 -0.097 -2.460 1.00 0.16 H new ATOM 1769 N ASN B 68 17.815 6.411 -5.806 1.00 0.23 N ATOM 1770 CA ASN B 68 19.264 6.721 -5.895 1.00 0.27 C ATOM 1771 C ASN B 68 19.688 7.305 -4.559 1.00 0.26 C ATOM 1772 O ASN B 68 20.856 7.472 -4.268 1.00 0.30 O ATOM 1773 CB ASN B 68 19.495 7.748 -7.003 1.00 0.34 C ATOM 1774 CG ASN B 68 19.208 7.110 -8.365 1.00 0.40 C ATOM 1775 OD1 ASN B 68 18.731 5.895 -8.419 1.00 0.49 O flip ATOM 1776 ND2 ASN B 68 19.415 7.725 -9.390 1.00 0.40 N flip ATOM 0 H ASN B 68 17.226 6.887 -6.489 1.00 0.23 H new ATOM 0 HA ASN B 68 19.841 5.825 -6.122 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.848 8.612 -6.852 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.523 8.109 -6.969 1.00 0.34 H new ATOM 0 HD21 ASN B 68 19.787 8.674 -9.349 1.00 0.40 H new ATOM 0 HD22 ASN B 68 19.217 7.293 -10.293 1.00 0.40 H new ATOM 1783 N VAL B 69 18.722 7.616 -3.742 1.00 0.26 N ATOM 1784 CA VAL B 69 19.010 8.193 -2.406 1.00 0.33 C ATOM 1785 C VAL B 69 19.755 7.156 -1.563 1.00 0.41 C ATOM 1786 O VAL B 69 19.476 5.975 -1.629 1.00 0.49 O ATOM 1787 CB VAL B 69 17.685 8.556 -1.735 1.00 0.45 C ATOM 1788 CG1 VAL B 69 16.815 7.299 -1.604 1.00 0.99 C ATOM 1789 CG2 VAL B 69 17.954 9.147 -0.348 1.00 1.04 C ATOM 0 H VAL B 69 17.731 7.492 -3.949 1.00 0.26 H new ATOM 0 HA VAL B 69 19.628 9.086 -2.502 1.00 0.33 H new ATOM 0 HB VAL B 69 17.162 9.294 -2.343 1.00 0.45 H new ATOM 0 HG11 VAL B 69 15.871 7.558 -1.126 1.00 0.99 H new ATOM 0 HG12 VAL B 69 16.619 6.887 -2.594 1.00 0.99 H new ATOM 0 HG13 VAL B 69 17.336 6.557 -0.999 1.00 0.99 H new ATOM 0 HG21 VAL B 69 17.008 9.405 0.127 1.00 1.04 H new ATOM 0 HG22 VAL B 69 18.480 8.414 0.264 1.00 1.04 H new ATOM 0 HG23 VAL B 69 18.566 10.043 -0.447 1.00 1.04 H new ATOM 1799 N ASP B 70 20.710 7.583 -0.787 1.00 0.49 N ATOM 1800 CA ASP B 70 21.478 6.616 0.041 1.00 0.64 C ATOM 1801 C ASP B 70 20.520 5.892 0.987 1.00 0.76 C ATOM 1802 O ASP B 70 20.666 4.716 1.255 1.00 0.90 O ATOM 1803 CB ASP B 70 22.516 7.377 0.867 1.00 0.74 C ATOM 1804 CG ASP B 70 23.600 7.928 -0.063 1.00 0.77 C ATOM 1805 OD1 ASP B 70 23.988 7.219 -0.977 1.00 1.32 O ATOM 1806 OD2 ASP B 70 24.014 9.055 0.149 1.00 1.36 O ATOM 0 H ASP B 70 20.991 8.559 -0.691 1.00 0.49 H new ATOM 0 HA ASP B 70 21.976 5.893 -0.605 1.00 0.64 H new ATOM 0 HB2 ASP B 70 22.038 8.192 1.410 1.00 0.74 H new ATOM 0 HB3 ASP B 70 22.961 6.716 1.611 1.00 0.74 H new ATOM 1811 N GLY B 71 19.542 6.588 1.499 1.00 0.77 N ATOM 1812 CA GLY B 71 18.574 5.942 2.431 1.00 0.96 C ATOM 1813 C GLY B 71 19.293 5.576 3.729 1.00 1.62 C ATOM 1814 O GLY B 71 19.020 4.510 4.254 1.00 2.29 O ATOM 1815 OXT GLY B 71 20.109 6.367 4.173 1.00 2.32 O ATOM 0 H GLY B 71 19.371 7.576 1.312 1.00 0.77 H new ATOM 0 HA2 GLY B 71 17.745 6.618 2.639 1.00 0.96 H new ATOM 0 HA3 GLY B 71 18.150 5.049 1.972 1.00 0.96 H new TER 1819 GLY B 71