USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 983 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 TYR OH : rot -13:sc= 1.46 USER MOD Set 1.2: A 115 GLN : amide:sc= -8.67! C(o=-6.2!,f=-9.4!) USER MOD Set 1.3: A 117 TYR OH : rot -130:sc= 0.968 USER MOD Set 2.1: A 98 ASN : amide:sc= -0.508 K(o=-0.22,f=-3) USER MOD Set 2.2: A 100 LYS NZ :NH3+ -179:sc= 0.287 (180deg=0) USER MOD Set 3.1: A 37 LYS NZ :NH3+ -133:sc= -0.94 (180deg=-0.597) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 174:sc= -0.557 (180deg=0) USER MOD Set 3.3: A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -80:sc= -10.8! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -3.91 K(o=-3.9,f=-6.6!) USER MOD Single : A 13 ASN : amide:sc= -0.0363 K(o=-0.036,f=-0.86) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 159:sc= -1.41 (180deg=-3.31!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -139:sc= -12.5! (180deg=-17.2!) USER MOD Single : A 24 ASN : amide:sc= -0.267 K(o=-0.27,f=-0.94) USER MOD Single : A 27 LYS NZ :NH3+ -133:sc= -0.693 (180deg=-1.31) USER MOD Single : A 39 THR OG1 : rot 68:sc= -6.22! USER MOD Single : A 41 THR OG1 : rot 85:sc= 0.0324 USER MOD Single : A 42 GLN : amide:sc= -0.453 K(o=-0.45,f=-0.99) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 46 LYS NZ :NH3+ -104:sc= -0.41 (180deg=-1.38!) USER MOD Single : A 48 THR OG1 : rot 131:sc= -0.231 USER MOD Single : A 53 SER OG : rot 55:sc= 1.02 USER MOD Single : A 54 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.2!) USER MOD Single : A 57 ASN : amide:sc= -0.0354 X(o=-0.035,f=-0.02) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.558 USER MOD Single : A 71 SER OG : rot -79:sc= 0 USER MOD Single : A 76 THR OG1 : rot -140:sc= 0 USER MOD Single : A 79 THR OG1 : rot 56:sc= 0.968 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc=0.000154 USER MOD Single : A 84 MET CE :methyl -121:sc= -0.045 (180deg=-0.11) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 116 THR OG1 : rot -74:sc= -0.782! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 120:sc= -1.01 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.405 8.414 3.326 1.00 0.00 N ATOM 2 CA ALA A 1 3.743 9.507 4.194 1.00 0.00 C ATOM 3 C ALA A 1 5.199 9.897 3.907 1.00 0.00 C ATOM 4 O ALA A 1 5.323 11.059 3.609 1.00 0.00 O ATOM 5 CB ALA A 1 3.587 8.963 5.607 1.00 0.00 C ATOM 0 H1 ALA A 1 2.420 8.126 3.498 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.511 8.712 2.335 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.038 7.611 3.516 1.00 0.00 H new ATOM 0 HA ALA A 1 3.119 10.390 4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.829 9.745 6.327 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.559 8.636 5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.261 8.118 5.748 1.00 0.00 H new ATOM 13 N PHE A 2 6.185 8.973 3.999 1.00 0.00 N ATOM 14 CA PHE A 2 7.569 9.410 3.716 1.00 0.00 C ATOM 15 C PHE A 2 8.014 9.342 2.234 1.00 0.00 C ATOM 16 O PHE A 2 9.164 9.622 1.964 1.00 0.00 O ATOM 17 CB PHE A 2 8.716 8.753 4.548 1.00 0.00 C ATOM 18 CG PHE A 2 8.270 7.947 5.727 1.00 0.00 C ATOM 19 CD1 PHE A 2 7.407 6.877 5.728 1.00 0.00 C ATOM 20 CD2 PHE A 2 8.779 8.298 6.980 1.00 0.00 C ATOM 21 CE1 PHE A 2 7.041 6.173 6.879 1.00 0.00 C ATOM 22 CE2 PHE A 2 8.448 7.631 8.149 1.00 0.00 C ATOM 23 CZ PHE A 2 7.560 6.546 8.101 1.00 0.00 C ATOM 0 H PHE A 2 6.064 7.991 4.248 1.00 0.00 H new ATOM 0 HA PHE A 2 7.452 10.446 4.033 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.298 8.110 3.888 1.00 0.00 H new ATOM 0 HB3 PHE A 2 9.385 9.539 4.898 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.987 6.562 4.784 1.00 0.00 H new ATOM 0 HD2 PHE A 2 9.464 9.130 7.041 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.355 5.341 6.812 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.871 7.945 9.092 1.00 0.00 H new ATOM 0 HZ PHE A 2 7.289 6.015 9.001 1.00 0.00 H new ATOM 33 N ASP A 3 7.167 8.990 1.281 1.00 0.00 N ATOM 34 CA ASP A 3 7.621 8.931 -0.131 1.00 0.00 C ATOM 35 C ASP A 3 8.211 10.222 -0.592 1.00 0.00 C ATOM 36 O ASP A 3 7.656 11.268 -0.201 1.00 0.00 O ATOM 37 CB ASP A 3 6.421 8.532 -1.013 1.00 0.00 C ATOM 38 CG ASP A 3 5.640 9.765 -1.400 1.00 0.00 C ATOM 39 OD1 ASP A 3 4.797 10.118 -0.454 1.00 0.00 O ATOM 40 OD2 ASP A 3 5.752 10.383 -2.446 1.00 0.00 O ATOM 0 H ASP A 3 6.189 8.745 1.433 1.00 0.00 H new ATOM 0 HA ASP A 3 8.414 8.187 -0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.771 8.016 -1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.777 7.836 -0.475 1.00 0.00 H new ATOM 45 N GLY A 4 9.288 10.192 -1.388 1.00 0.00 N ATOM 46 CA GLY A 4 9.869 11.414 -1.849 1.00 0.00 C ATOM 47 C GLY A 4 11.247 11.842 -1.299 1.00 0.00 C ATOM 48 O GLY A 4 12.130 11.024 -1.341 1.00 0.00 O ATOM 0 H GLY A 4 9.751 9.342 -1.709 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.953 11.350 -2.934 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.164 12.216 -1.631 1.00 0.00 H new ATOM 52 N THR A 5 11.219 13.076 -0.863 1.00 0.00 N ATOM 53 CA THR A 5 12.260 13.849 -0.294 1.00 0.00 C ATOM 54 C THR A 5 11.886 14.249 1.101 1.00 0.00 C ATOM 55 O THR A 5 10.741 14.038 1.431 1.00 0.00 O ATOM 56 CB THR A 5 12.530 15.126 -1.139 1.00 0.00 C ATOM 57 OG1 THR A 5 11.266 15.729 -1.026 1.00 0.00 O ATOM 58 CG2 THR A 5 12.857 14.686 -2.561 1.00 0.00 C ATOM 0 H THR A 5 10.354 13.614 -0.911 1.00 0.00 H new ATOM 0 HA THR A 5 13.166 13.243 -0.278 1.00 0.00 H new ATOM 0 HB THR A 5 13.352 15.778 -0.843 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.646 15.311 -1.659 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.051 15.563 -3.178 1.00 0.00 H new ATOM 0 HG22 THR A 5 13.740 14.047 -2.550 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.014 14.132 -2.974 1.00 0.00 H new ATOM 66 N TRP A 6 12.906 14.761 1.711 1.00 0.00 N ATOM 67 CA TRP A 6 12.942 15.156 3.095 1.00 0.00 C ATOM 68 C TRP A 6 14.274 15.804 3.386 1.00 0.00 C ATOM 69 O TRP A 6 15.121 15.487 2.539 1.00 0.00 O ATOM 70 CB TRP A 6 13.053 13.731 3.730 1.00 0.00 C ATOM 71 CG TRP A 6 11.679 13.188 3.791 1.00 0.00 C ATOM 72 CD1 TRP A 6 11.312 11.928 3.492 1.00 0.00 C ATOM 73 CD2 TRP A 6 10.415 13.814 4.089 1.00 0.00 C ATOM 74 NE1 TRP A 6 9.975 11.669 3.555 1.00 0.00 N ATOM 75 CE2 TRP A 6 9.396 12.828 3.913 1.00 0.00 C ATOM 76 CE3 TRP A 6 9.964 15.070 4.465 1.00 0.00 C ATOM 77 CZ2 TRP A 6 8.044 13.081 4.082 1.00 0.00 C ATOM 78 CZ3 TRP A 6 8.611 15.313 4.646 1.00 0.00 C ATOM 79 CH2 TRP A 6 7.655 14.324 4.452 1.00 0.00 C ATOM 0 H TRP A 6 13.792 14.927 1.234 1.00 0.00 H new ATOM 0 HA TRP A 6 12.133 15.815 3.411 1.00 0.00 H new ATOM 0 HB2 TRP A 6 13.697 13.088 3.130 1.00 0.00 H new ATOM 0 HB3 TRP A 6 13.493 13.784 4.726 1.00 0.00 H new ATOM 0 HD1 TRP A 6 12.031 11.170 3.219 1.00 0.00 H new ATOM 0 HE1 TRP A 6 9.510 10.780 3.369 1.00 0.00 H new ATOM 0 HE3 TRP A 6 10.675 15.868 4.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 7.314 12.301 3.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 8.291 16.300 4.947 1.00 0.00 H new ATOM 0 HH2 TRP A 6 6.608 14.545 4.595 1.00 0.00 H new ATOM 90 N LYS A 7 14.499 16.540 4.457 1.00 0.00 N ATOM 91 CA LYS A 7 15.766 17.231 4.627 1.00 0.00 C ATOM 92 C LYS A 7 15.939 17.812 5.996 1.00 0.00 C ATOM 93 O LYS A 7 15.313 18.781 6.347 1.00 0.00 O ATOM 94 CB LYS A 7 15.683 18.485 3.716 1.00 0.00 C ATOM 95 CG LYS A 7 14.887 18.229 2.480 1.00 0.00 C ATOM 96 CD LYS A 7 14.896 19.183 1.281 1.00 0.00 C ATOM 97 CE LYS A 7 15.991 18.921 0.215 1.00 0.00 C ATOM 98 NZ LYS A 7 16.962 20.043 0.089 1.00 0.00 N ATOM 0 H LYS A 7 13.831 16.675 5.216 1.00 0.00 H new ATOM 0 HA LYS A 7 16.565 16.520 4.419 1.00 0.00 H new ATOM 0 HB2 LYS A 7 15.234 19.308 4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 7 16.690 18.799 3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.199 17.254 2.105 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.848 18.132 2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.922 19.132 0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.014 20.201 1.652 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.530 18.009 0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.516 18.749 -0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.669 19.810 -0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.457 20.910 -0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.439 20.193 1.001 1.00 0.00 H new ATOM 112 N VAL A 8 16.860 17.309 6.785 1.00 0.00 N ATOM 113 CA VAL A 8 16.997 17.899 8.060 1.00 0.00 C ATOM 114 C VAL A 8 17.268 19.417 7.992 1.00 0.00 C ATOM 115 O VAL A 8 18.406 19.833 7.912 1.00 0.00 O ATOM 116 CB VAL A 8 17.950 17.113 8.953 1.00 0.00 C ATOM 117 CG1 VAL A 8 18.325 18.019 10.132 1.00 0.00 C ATOM 118 CG2 VAL A 8 17.420 15.710 9.372 1.00 0.00 C ATOM 0 H VAL A 8 17.487 16.534 6.568 1.00 0.00 H new ATOM 0 HA VAL A 8 16.029 17.830 8.557 1.00 0.00 H new ATOM 0 HB VAL A 8 18.848 16.857 8.390 1.00 0.00 H new ATOM 0 HG11 VAL A 8 19.008 17.489 10.795 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.809 18.921 9.758 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.424 18.292 10.682 1.00 0.00 H new ATOM 0 HG21 VAL A 8 18.157 15.217 10.006 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.486 15.823 9.923 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.245 15.106 8.481 1.00 0.00 H new ATOM 128 N ASP A 9 16.155 20.150 8.019 1.00 0.00 N ATOM 129 CA ASP A 9 16.044 21.578 7.950 1.00 0.00 C ATOM 130 C ASP A 9 16.518 22.255 9.252 1.00 0.00 C ATOM 131 O ASP A 9 17.017 23.363 9.225 1.00 0.00 O ATOM 132 CB ASP A 9 14.526 21.873 7.987 1.00 0.00 C ATOM 133 CG ASP A 9 14.030 23.196 7.556 1.00 0.00 C ATOM 134 OD1 ASP A 9 14.522 24.249 7.864 1.00 0.00 O ATOM 135 OD2 ASP A 9 12.972 23.127 6.790 1.00 0.00 O ATOM 0 H ASP A 9 15.239 19.707 8.097 1.00 0.00 H new ATOM 0 HA ASP A 9 16.608 21.924 7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.033 21.122 7.369 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.188 21.716 9.011 1.00 0.00 H new ATOM 140 N ARG A 10 16.275 21.514 10.289 1.00 0.00 N ATOM 141 CA ARG A 10 16.550 22.041 11.599 1.00 0.00 C ATOM 142 C ARG A 10 17.495 21.215 12.397 1.00 0.00 C ATOM 143 O ARG A 10 18.493 20.738 11.803 1.00 0.00 O ATOM 144 CB ARG A 10 15.116 22.063 12.140 1.00 0.00 C ATOM 145 CG ARG A 10 14.438 20.732 11.798 1.00 0.00 C ATOM 146 CD ARG A 10 15.318 19.489 11.936 1.00 0.00 C ATOM 147 NE ARG A 10 15.156 18.520 10.850 1.00 0.00 N ATOM 148 CZ ARG A 10 15.222 17.190 10.899 1.00 0.00 C ATOM 149 NH1 ARG A 10 15.589 16.665 12.080 1.00 0.00 N ATOM 150 NH2 ARG A 10 14.928 16.415 9.874 1.00 0.00 N ATOM 0 H ARG A 10 15.897 20.567 10.263 1.00 0.00 H new ATOM 0 HA ARG A 10 17.069 22.999 11.621 1.00 0.00 H new ATOM 0 HB2 ARG A 10 15.122 22.217 13.219 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.560 22.893 11.703 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.567 20.612 12.442 1.00 0.00 H new ATOM 0 HG3 ARG A 10 14.072 20.784 10.773 1.00 0.00 H new ATOM 0 HD2 ARG A 10 16.362 19.799 11.980 1.00 0.00 H new ATOM 0 HD3 ARG A 10 15.091 18.999 12.883 1.00 0.00 H new ATOM 0 HE ARG A 10 14.967 18.918 9.930 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.797 17.278 12.868 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.660 15.653 12.188 1.00 0.00 H new ATOM 0 HH21 ARG A 10 14.633 16.829 8.990 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.995 15.401 9.965 1.00 0.00 H new ATOM 164 N ASN A 11 17.167 21.012 13.637 1.00 0.00 N ATOM 165 CA ASN A 11 17.895 20.150 14.553 1.00 0.00 C ATOM 166 C ASN A 11 17.817 20.667 15.995 1.00 0.00 C ATOM 167 O ASN A 11 18.546 21.613 16.370 1.00 0.00 O ATOM 168 CB ASN A 11 19.353 19.972 14.210 1.00 0.00 C ATOM 169 CG ASN A 11 20.100 21.283 13.969 1.00 0.00 C ATOM 170 OD1 ASN A 11 19.535 22.365 13.953 1.00 0.00 O ATOM 171 ND2 ASN A 11 21.412 21.175 13.777 1.00 0.00 N ATOM 0 H ASN A 11 16.355 21.454 14.067 1.00 0.00 H new ATOM 0 HA ASN A 11 17.401 19.183 14.455 1.00 0.00 H new ATOM 0 HB2 ASN A 11 19.842 19.431 15.020 1.00 0.00 H new ATOM 0 HB3 ASN A 11 19.432 19.351 13.318 1.00 0.00 H new ATOM 0 HD21 ASN A 11 21.974 22.010 13.611 1.00 0.00 H new ATOM 0 HD22 ASN A 11 21.856 20.257 13.796 1.00 0.00 H new ATOM 178 N GLU A 12 16.938 20.041 16.764 1.00 0.00 N ATOM 179 CA GLU A 12 16.721 20.399 18.147 1.00 0.00 C ATOM 180 C GLU A 12 17.841 19.914 19.041 1.00 0.00 C ATOM 181 O GLU A 12 18.804 20.605 19.332 1.00 0.00 O ATOM 182 CB GLU A 12 15.355 19.911 18.742 1.00 0.00 C ATOM 183 CG GLU A 12 14.327 21.013 19.100 1.00 0.00 C ATOM 184 CD GLU A 12 13.930 21.081 20.578 1.00 0.00 C ATOM 185 OE1 GLU A 12 14.200 20.197 21.373 1.00 0.00 O ATOM 186 OE2 GLU A 12 13.294 22.164 20.867 1.00 0.00 O ATOM 0 H GLU A 12 16.356 19.269 16.440 1.00 0.00 H new ATOM 0 HA GLU A 12 16.697 21.489 18.131 1.00 0.00 H new ATOM 0 HB2 GLU A 12 14.893 19.233 18.025 1.00 0.00 H new ATOM 0 HB3 GLU A 12 15.562 19.331 19.642 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.737 21.979 18.806 1.00 0.00 H new ATOM 0 HG3 GLU A 12 13.427 20.855 18.506 1.00 0.00 H new ATOM 193 N ASN A 13 17.722 18.692 19.506 1.00 0.00 N ATOM 194 CA ASN A 13 18.647 17.990 20.404 1.00 0.00 C ATOM 195 C ASN A 13 19.647 17.174 19.603 1.00 0.00 C ATOM 196 O ASN A 13 20.004 16.077 19.963 1.00 0.00 O ATOM 197 CB ASN A 13 17.804 17.092 21.326 1.00 0.00 C ATOM 198 CG ASN A 13 17.484 17.657 22.699 1.00 0.00 C ATOM 199 OD1 ASN A 13 18.213 18.451 23.267 1.00 0.00 O ATOM 200 ND2 ASN A 13 16.345 17.215 23.246 1.00 0.00 N ATOM 0 H ASN A 13 16.923 18.109 19.256 1.00 0.00 H new ATOM 0 HA ASN A 13 19.221 18.700 21.000 1.00 0.00 H new ATOM 0 HB2 ASN A 13 16.865 16.867 20.820 1.00 0.00 H new ATOM 0 HB3 ASN A 13 18.330 16.146 21.458 1.00 0.00 H new ATOM 0 HD21 ASN A 13 16.062 17.543 24.169 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.760 16.550 22.740 1.00 0.00 H new ATOM 207 N TYR A 14 20.086 17.749 18.487 1.00 0.00 N ATOM 208 CA TYR A 14 21.029 17.108 17.594 1.00 0.00 C ATOM 209 C TYR A 14 22.507 17.385 17.755 1.00 0.00 C ATOM 210 O TYR A 14 23.323 16.556 17.391 1.00 0.00 O ATOM 211 CB TYR A 14 20.535 17.464 16.174 1.00 0.00 C ATOM 212 CG TYR A 14 20.729 16.419 15.157 1.00 0.00 C ATOM 213 CD1 TYR A 14 19.845 15.332 15.019 1.00 0.00 C ATOM 214 CD2 TYR A 14 21.822 16.490 14.291 1.00 0.00 C ATOM 215 CE1 TYR A 14 20.042 14.338 14.051 1.00 0.00 C ATOM 216 CE2 TYR A 14 22.008 15.483 13.323 1.00 0.00 C ATOM 217 CZ TYR A 14 21.130 14.408 13.193 1.00 0.00 C ATOM 218 OH TYR A 14 21.392 13.467 12.216 1.00 0.00 O ATOM 0 H TYR A 14 19.793 18.677 18.181 1.00 0.00 H new ATOM 0 HA TYR A 14 21.021 16.046 17.837 1.00 0.00 H new ATOM 0 HB2 TYR A 14 19.473 17.703 16.227 1.00 0.00 H new ATOM 0 HB3 TYR A 14 21.049 18.367 15.845 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.992 15.262 15.677 1.00 0.00 H new ATOM 0 HD2 TYR A 14 22.520 17.311 14.363 1.00 0.00 H new ATOM 0 HE1 TYR A 14 19.346 13.516 13.973 1.00 0.00 H new ATOM 0 HE2 TYR A 14 22.858 15.546 12.660 1.00 0.00 H new ATOM 0 HH TYR A 14 20.835 12.675 12.367 1.00 0.00 H new ATOM 228 N GLU A 15 22.928 18.522 18.293 1.00 0.00 N ATOM 229 CA GLU A 15 24.355 18.729 18.430 1.00 0.00 C ATOM 230 C GLU A 15 24.949 17.890 19.596 1.00 0.00 C ATOM 231 O GLU A 15 25.883 17.138 19.425 1.00 0.00 O ATOM 232 CB GLU A 15 24.719 20.190 18.674 1.00 0.00 C ATOM 233 CG GLU A 15 24.518 21.107 17.447 1.00 0.00 C ATOM 234 CD GLU A 15 23.046 21.342 17.256 1.00 0.00 C ATOM 235 OE1 GLU A 15 22.270 21.487 18.183 1.00 0.00 O ATOM 236 OE2 GLU A 15 22.682 21.375 16.015 1.00 0.00 O ATOM 0 H GLU A 15 22.332 19.280 18.626 1.00 0.00 H new ATOM 0 HA GLU A 15 24.780 18.408 17.479 1.00 0.00 H new ATOM 0 HB2 GLU A 15 24.117 20.570 19.500 1.00 0.00 H new ATOM 0 HB3 GLU A 15 25.761 20.245 18.988 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.036 22.055 17.595 1.00 0.00 H new ATOM 0 HG3 GLU A 15 24.946 20.646 16.557 1.00 0.00 H new ATOM 243 N LYS A 16 24.383 18.036 20.788 1.00 0.00 N ATOM 244 CA LYS A 16 24.818 17.331 21.986 1.00 0.00 C ATOM 245 C LYS A 16 24.468 15.841 21.922 1.00 0.00 C ATOM 246 O LYS A 16 25.035 14.999 22.615 1.00 0.00 O ATOM 247 CB LYS A 16 24.479 18.045 23.304 1.00 0.00 C ATOM 248 CG LYS A 16 25.553 17.798 24.349 1.00 0.00 C ATOM 249 CD LYS A 16 25.278 18.535 25.643 1.00 0.00 C ATOM 250 CE LYS A 16 26.394 18.459 26.665 1.00 0.00 C ATOM 251 NZ LYS A 16 25.988 19.013 27.958 1.00 0.00 N ATOM 0 H LYS A 16 23.593 18.660 20.951 1.00 0.00 H new ATOM 0 HA LYS A 16 25.907 17.366 21.996 1.00 0.00 H new ATOM 0 HB2 LYS A 16 24.379 19.116 23.126 1.00 0.00 H new ATOM 0 HB3 LYS A 16 23.517 17.692 23.676 1.00 0.00 H new ATOM 0 HG2 LYS A 16 25.622 16.729 24.550 1.00 0.00 H new ATOM 0 HG3 LYS A 16 26.520 18.111 23.954 1.00 0.00 H new ATOM 0 HD2 LYS A 16 25.084 19.583 25.414 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.368 18.132 26.088 1.00 0.00 H new ATOM 0 HE2 LYS A 16 26.698 17.420 26.794 1.00 0.00 H new ATOM 0 HE3 LYS A 16 27.264 19.002 26.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 26.779 18.942 28.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 25.722 20.011 27.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 25.174 18.479 28.324 1.00 0.00 H new ATOM 265 N PHE A 17 23.504 15.406 21.085 1.00 0.00 N ATOM 266 CA PHE A 17 23.056 14.039 20.902 1.00 0.00 C ATOM 267 C PHE A 17 24.125 13.077 20.336 1.00 0.00 C ATOM 268 O PHE A 17 24.234 11.863 20.631 1.00 0.00 O ATOM 269 CB PHE A 17 21.871 14.034 19.898 1.00 0.00 C ATOM 270 CG PHE A 17 21.720 12.736 19.167 1.00 0.00 C ATOM 271 CD1 PHE A 17 22.516 12.297 18.132 1.00 0.00 C ATOM 272 CD2 PHE A 17 20.686 11.894 19.568 1.00 0.00 C ATOM 273 CE1 PHE A 17 22.337 11.082 17.493 1.00 0.00 C ATOM 274 CE2 PHE A 17 20.494 10.675 18.947 1.00 0.00 C ATOM 275 CZ PHE A 17 21.300 10.250 17.913 1.00 0.00 C ATOM 0 H PHE A 17 22.994 16.055 20.486 1.00 0.00 H new ATOM 0 HA PHE A 17 22.789 13.683 21.897 1.00 0.00 H new ATOM 0 HB2 PHE A 17 20.948 14.250 20.435 1.00 0.00 H new ATOM 0 HB3 PHE A 17 22.014 14.836 19.174 1.00 0.00 H new ATOM 0 HD1 PHE A 17 23.323 12.935 17.801 1.00 0.00 H new ATOM 0 HD2 PHE A 17 20.029 12.196 20.370 1.00 0.00 H new ATOM 0 HE1 PHE A 17 22.988 10.784 16.685 1.00 0.00 H new ATOM 0 HE2 PHE A 17 19.689 10.037 19.281 1.00 0.00 H new ATOM 0 HZ PHE A 17 21.132 9.294 17.439 1.00 0.00 H new ATOM 285 N MET A 18 24.932 13.672 19.482 1.00 0.00 N ATOM 286 CA MET A 18 26.032 13.035 18.773 1.00 0.00 C ATOM 287 C MET A 18 27.159 12.867 19.772 1.00 0.00 C ATOM 288 O MET A 18 27.619 11.765 19.964 1.00 0.00 O ATOM 289 CB MET A 18 26.515 13.954 17.636 1.00 0.00 C ATOM 290 CG MET A 18 25.835 13.481 16.387 1.00 0.00 C ATOM 291 SD MET A 18 26.134 14.465 14.919 1.00 0.00 S ATOM 292 CE MET A 18 24.936 13.595 13.892 1.00 0.00 C ATOM 0 H MET A 18 24.837 14.661 19.250 1.00 0.00 H new ATOM 0 HA MET A 18 25.720 12.080 18.351 1.00 0.00 H new ATOM 0 HB2 MET A 18 26.263 14.994 17.844 1.00 0.00 H new ATOM 0 HB3 MET A 18 27.599 13.903 17.530 1.00 0.00 H new ATOM 0 HG2 MET A 18 26.153 12.458 16.187 1.00 0.00 H new ATOM 0 HG3 MET A 18 24.761 13.451 16.569 1.00 0.00 H new ATOM 0 HE1 MET A 18 24.651 14.227 13.051 1.00 0.00 H new ATOM 0 HE2 MET A 18 25.379 12.672 13.519 1.00 0.00 H new ATOM 0 HE3 MET A 18 24.052 13.359 14.485 1.00 0.00 H new ATOM 302 N GLU A 19 27.497 14.001 20.345 1.00 0.00 N ATOM 303 CA GLU A 19 28.544 14.141 21.330 1.00 0.00 C ATOM 304 C GLU A 19 28.527 13.085 22.441 1.00 0.00 C ATOM 305 O GLU A 19 29.515 12.490 22.842 1.00 0.00 O ATOM 306 CB GLU A 19 28.257 15.427 22.144 1.00 0.00 C ATOM 307 CG GLU A 19 28.817 15.366 23.600 1.00 0.00 C ATOM 308 CD GLU A 19 29.201 16.714 24.137 1.00 0.00 C ATOM 309 OE1 GLU A 19 29.215 17.670 23.390 1.00 0.00 O ATOM 310 OE2 GLU A 19 29.508 16.792 25.398 1.00 0.00 O ATOM 0 H GLU A 19 27.032 14.883 20.129 1.00 0.00 H new ATOM 0 HA GLU A 19 29.471 14.096 20.758 1.00 0.00 H new ATOM 0 HB2 GLU A 19 28.694 16.282 21.628 1.00 0.00 H new ATOM 0 HB3 GLU A 19 27.180 15.594 22.181 1.00 0.00 H new ATOM 0 HG2 GLU A 19 28.067 14.921 24.254 1.00 0.00 H new ATOM 0 HG3 GLU A 19 29.688 14.711 23.621 1.00 0.00 H new ATOM 317 N LYS A 20 27.325 12.919 22.957 1.00 0.00 N ATOM 318 CA LYS A 20 27.146 12.021 24.115 1.00 0.00 C ATOM 319 C LYS A 20 27.473 10.572 23.882 1.00 0.00 C ATOM 320 O LYS A 20 27.723 9.839 24.855 1.00 0.00 O ATOM 321 CB LYS A 20 25.721 12.313 24.602 1.00 0.00 C ATOM 322 CG LYS A 20 25.580 13.710 25.163 1.00 0.00 C ATOM 323 CD LYS A 20 26.021 13.701 26.588 1.00 0.00 C ATOM 324 CE LYS A 20 24.932 14.030 27.562 1.00 0.00 C ATOM 325 NZ LYS A 20 25.376 13.788 28.922 1.00 0.00 N ATOM 0 H LYS A 20 26.475 13.370 22.618 1.00 0.00 H new ATOM 0 HA LYS A 20 27.883 12.227 24.891 1.00 0.00 H new ATOM 0 HB2 LYS A 20 25.023 12.184 23.774 1.00 0.00 H new ATOM 0 HB3 LYS A 20 25.445 11.587 25.367 1.00 0.00 H new ATOM 0 HG2 LYS A 20 26.182 14.411 24.586 1.00 0.00 H new ATOM 0 HG3 LYS A 20 24.545 14.044 25.090 1.00 0.00 H new ATOM 0 HD2 LYS A 20 26.424 12.717 26.827 1.00 0.00 H new ATOM 0 HD3 LYS A 20 26.834 14.417 26.711 1.00 0.00 H new ATOM 0 HE2 LYS A 20 24.638 15.074 27.449 1.00 0.00 H new ATOM 0 HE3 LYS A 20 24.050 13.426 27.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 24.609 14.021 29.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 25.634 12.786 29.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 26.204 14.383 29.128 1.00 0.00 H new ATOM 339 N MET A 21 27.504 10.091 22.618 1.00 0.00 N ATOM 340 CA MET A 21 27.851 8.720 22.360 1.00 0.00 C ATOM 341 C MET A 21 29.383 8.587 22.150 1.00 0.00 C ATOM 342 O MET A 21 29.859 7.472 22.003 1.00 0.00 O ATOM 343 CB MET A 21 27.160 8.030 21.192 1.00 0.00 C ATOM 344 CG MET A 21 26.289 8.938 20.316 1.00 0.00 C ATOM 345 SD MET A 21 24.928 8.073 19.489 1.00 0.00 S ATOM 346 CE MET A 21 23.659 8.551 20.695 1.00 0.00 C ATOM 0 H MET A 21 27.292 10.643 21.787 1.00 0.00 H new ATOM 0 HA MET A 21 27.491 8.208 23.252 1.00 0.00 H new ATOM 0 HB2 MET A 21 27.921 7.568 20.563 1.00 0.00 H new ATOM 0 HB3 MET A 21 26.538 7.225 21.584 1.00 0.00 H new ATOM 0 HG2 MET A 21 25.877 9.736 20.934 1.00 0.00 H new ATOM 0 HG3 MET A 21 26.918 9.411 19.562 1.00 0.00 H new ATOM 0 HE1 MET A 21 23.005 7.701 20.892 1.00 0.00 H new ATOM 0 HE2 MET A 21 24.138 8.863 21.623 1.00 0.00 H new ATOM 0 HE3 MET A 21 23.070 9.377 20.296 1.00 0.00 H new ATOM 356 N GLY A 22 30.109 9.723 22.139 1.00 0.00 N ATOM 357 CA GLY A 22 31.567 9.725 21.948 1.00 0.00 C ATOM 358 C GLY A 22 32.042 10.581 20.764 1.00 0.00 C ATOM 359 O GLY A 22 33.222 10.593 20.389 1.00 0.00 O ATOM 0 H GLY A 22 29.705 10.651 22.261 1.00 0.00 H new ATOM 0 HA2 GLY A 22 32.042 10.089 22.859 1.00 0.00 H new ATOM 0 HA3 GLY A 22 31.905 8.699 21.800 1.00 0.00 H new ATOM 363 N ILE A 23 31.111 11.302 20.175 1.00 0.00 N ATOM 364 CA ILE A 23 31.447 12.141 19.048 1.00 0.00 C ATOM 365 C ILE A 23 32.447 13.179 19.481 1.00 0.00 C ATOM 366 O ILE A 23 33.271 13.674 18.696 1.00 0.00 O ATOM 367 CB ILE A 23 30.146 12.755 18.523 1.00 0.00 C ATOM 368 CG1 ILE A 23 29.449 11.789 17.589 1.00 0.00 C ATOM 369 CG2 ILE A 23 30.421 14.046 17.766 1.00 0.00 C ATOM 370 CD1 ILE A 23 29.557 10.343 18.079 1.00 0.00 C ATOM 0 H ILE A 23 30.130 11.324 20.454 1.00 0.00 H new ATOM 0 HA ILE A 23 31.912 11.574 18.241 1.00 0.00 H new ATOM 0 HB ILE A 23 29.511 12.967 19.383 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.398 12.065 17.500 1.00 0.00 H new ATOM 0 HG13 ILE A 23 29.885 11.868 16.593 1.00 0.00 H new ATOM 0 HG21 ILE A 23 29.481 14.462 17.403 1.00 0.00 H new ATOM 0 HG22 ILE A 23 30.902 14.763 18.431 1.00 0.00 H new ATOM 0 HG23 ILE A 23 31.077 13.839 16.920 1.00 0.00 H new ATOM 0 HD11 ILE A 23 29.044 9.683 17.380 1.00 0.00 H new ATOM 0 HD12 ILE A 23 30.607 10.058 18.143 1.00 0.00 H new ATOM 0 HD13 ILE A 23 29.097 10.257 19.064 1.00 0.00 H new ATOM 382 N ASN A 24 32.437 13.575 20.755 1.00 0.00 N ATOM 383 CA ASN A 24 33.345 14.570 21.296 1.00 0.00 C ATOM 384 C ASN A 24 33.546 15.823 20.494 1.00 0.00 C ATOM 385 O ASN A 24 32.654 16.223 19.773 1.00 0.00 O ATOM 386 CB ASN A 24 34.642 13.917 21.821 1.00 0.00 C ATOM 387 CG ASN A 24 35.177 14.498 23.124 1.00 0.00 C ATOM 388 OD1 ASN A 24 34.724 15.502 23.664 1.00 0.00 O ATOM 389 ND2 ASN A 24 36.182 13.843 23.655 1.00 0.00 N ATOM 0 H ASN A 24 31.785 13.203 21.445 1.00 0.00 H new ATOM 0 HA ASN A 24 32.817 14.985 22.155 1.00 0.00 H new ATOM 0 HB2 ASN A 24 34.462 12.851 21.963 1.00 0.00 H new ATOM 0 HB3 ASN A 24 35.413 14.011 21.056 1.00 0.00 H new ATOM 0 HD21 ASN A 24 36.597 14.167 24.528 1.00 0.00 H new ATOM 0 HD22 ASN A 24 36.548 13.010 23.194 1.00 0.00 H new ATOM 396 N VAL A 25 34.690 16.444 20.600 1.00 0.00 N ATOM 397 CA VAL A 25 35.070 17.670 19.899 1.00 0.00 C ATOM 398 C VAL A 25 35.366 17.625 18.418 1.00 0.00 C ATOM 399 O VAL A 25 35.342 18.670 17.748 1.00 0.00 O ATOM 400 CB VAL A 25 35.959 18.628 20.710 1.00 0.00 C ATOM 401 CG1 VAL A 25 35.159 19.173 21.903 1.00 0.00 C ATOM 402 CG2 VAL A 25 37.191 17.958 21.244 1.00 0.00 C ATOM 0 H VAL A 25 35.433 16.099 21.209 1.00 0.00 H new ATOM 0 HA VAL A 25 34.087 18.139 19.848 1.00 0.00 H new ATOM 0 HB VAL A 25 36.269 19.425 20.035 1.00 0.00 H new ATOM 0 HG11 VAL A 25 35.785 19.853 22.481 1.00 0.00 H new ATOM 0 HG12 VAL A 25 34.282 19.708 21.539 1.00 0.00 H new ATOM 0 HG13 VAL A 25 34.841 18.345 22.537 1.00 0.00 H new ATOM 0 HG21 VAL A 25 37.782 18.679 21.808 1.00 0.00 H new ATOM 0 HG22 VAL A 25 36.903 17.135 21.898 1.00 0.00 H new ATOM 0 HG23 VAL A 25 37.784 17.573 20.415 1.00 0.00 H new ATOM 412 N VAL A 26 35.676 16.490 17.806 1.00 0.00 N ATOM 413 CA VAL A 26 35.985 16.314 16.414 1.00 0.00 C ATOM 414 C VAL A 26 35.020 16.974 15.469 1.00 0.00 C ATOM 415 O VAL A 26 35.332 17.415 14.361 1.00 0.00 O ATOM 416 CB VAL A 26 36.259 14.850 16.036 1.00 0.00 C ATOM 417 CG1 VAL A 26 37.448 14.348 16.832 1.00 0.00 C ATOM 418 CG2 VAL A 26 35.035 14.049 16.355 1.00 0.00 C ATOM 0 H VAL A 26 35.718 15.609 18.318 1.00 0.00 H new ATOM 0 HA VAL A 26 36.923 16.854 16.284 1.00 0.00 H new ATOM 0 HB VAL A 26 36.487 14.756 14.974 1.00 0.00 H new ATOM 0 HG11 VAL A 26 37.649 13.309 16.570 1.00 0.00 H new ATOM 0 HG12 VAL A 26 38.323 14.956 16.602 1.00 0.00 H new ATOM 0 HG13 VAL A 26 37.228 14.417 17.897 1.00 0.00 H new ATOM 0 HG21 VAL A 26 35.206 13.004 16.095 1.00 0.00 H new ATOM 0 HG22 VAL A 26 34.817 14.127 17.420 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.190 14.432 15.783 1.00 0.00 H new ATOM 428 N LYS A 27 33.787 17.058 15.925 1.00 0.00 N ATOM 429 CA LYS A 27 32.682 17.684 15.254 1.00 0.00 C ATOM 430 C LYS A 27 32.728 19.203 15.435 1.00 0.00 C ATOM 431 O LYS A 27 32.183 19.955 14.625 1.00 0.00 O ATOM 432 CB LYS A 27 31.364 17.004 15.601 1.00 0.00 C ATOM 433 CG LYS A 27 30.436 17.887 16.433 1.00 0.00 C ATOM 434 CD LYS A 27 29.413 17.218 17.343 1.00 0.00 C ATOM 435 CE LYS A 27 28.790 18.178 18.352 1.00 0.00 C ATOM 436 NZ LYS A 27 29.076 17.826 19.745 1.00 0.00 N ATOM 0 H LYS A 27 33.521 16.666 16.828 1.00 0.00 H new ATOM 0 HA LYS A 27 32.769 17.538 14.177 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.855 16.719 14.680 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.569 16.085 16.149 1.00 0.00 H new ATOM 0 HG2 LYS A 27 31.060 18.530 17.053 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.893 18.536 15.746 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.624 16.780 16.732 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.893 16.399 17.879 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.157 19.186 18.157 1.00 0.00 H new ATOM 0 HE3 LYS A 27 27.710 18.198 18.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 28.198 17.866 20.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 29.468 16.864 19.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 29.766 18.498 20.138 1.00 0.00 H new ATOM 595 N LYS A 37 18.962 16.531 2.497 1.00 0.00 N ATOM 596 CA LYS A 37 17.859 15.717 2.072 1.00 0.00 C ATOM 597 C LYS A 37 17.963 14.304 2.669 1.00 0.00 C ATOM 598 O LYS A 37 18.621 13.497 1.984 1.00 0.00 O ATOM 599 CB LYS A 37 17.706 15.626 0.572 1.00 0.00 C ATOM 600 CG LYS A 37 16.247 15.587 0.117 1.00 0.00 C ATOM 601 CD LYS A 37 16.185 15.391 -1.396 1.00 0.00 C ATOM 602 CE LYS A 37 17.147 16.314 -2.095 1.00 0.00 C ATOM 603 NZ LYS A 37 18.482 15.771 -2.425 1.00 0.00 N ATOM 0 HA LYS A 37 16.966 16.218 2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 37 18.201 16.480 0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.215 14.731 0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.721 14.776 0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.745 16.514 0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.422 14.356 -1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.171 15.579 -1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.681 16.651 -3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.286 17.195 -1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.214 16.452 -2.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.627 14.875 -1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.545 15.604 -3.449 1.00 0.00 H new ATOM 617 N LEU A 38 17.364 14.039 3.824 1.00 0.00 N ATOM 618 CA LEU A 38 17.433 12.659 4.296 1.00 0.00 C ATOM 619 C LEU A 38 16.892 11.912 3.081 1.00 0.00 C ATOM 620 O LEU A 38 17.508 10.899 2.758 1.00 0.00 O ATOM 621 CB LEU A 38 16.411 12.262 5.347 1.00 0.00 C ATOM 622 CG LEU A 38 16.763 11.075 6.256 1.00 0.00 C ATOM 623 CD1 LEU A 38 17.569 10.042 5.508 1.00 0.00 C ATOM 624 CD2 LEU A 38 17.678 11.644 7.341 1.00 0.00 C ATOM 0 H LEU A 38 16.861 14.702 4.414 1.00 0.00 H new ATOM 0 HA LEU A 38 18.432 12.479 4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 38 16.224 13.129 5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.475 12.032 4.838 1.00 0.00 H new ATOM 0 HG LEU A 38 15.853 10.611 6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 38 17.805 9.212 6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 38 16.991 9.674 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.494 10.493 5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.968 10.848 8.027 1.00 0.00 H new ATOM 0 HD22 LEU A 38 18.570 12.068 6.879 1.00 0.00 H new ATOM 0 HD23 LEU A 38 17.149 12.422 7.892 1.00 0.00 H new ATOM 636 N THR A 39 15.849 12.498 2.573 1.00 0.00 N ATOM 637 CA THR A 39 15.061 12.088 1.395 1.00 0.00 C ATOM 638 C THR A 39 14.506 10.717 1.639 1.00 0.00 C ATOM 639 O THR A 39 15.160 9.939 2.317 1.00 0.00 O ATOM 640 CB THR A 39 15.911 12.046 0.092 1.00 0.00 C ATOM 641 OG1 THR A 39 16.980 12.938 0.144 1.00 0.00 O ATOM 642 CG2 THR A 39 15.097 12.358 -1.178 1.00 0.00 C ATOM 0 H THR A 39 15.477 13.351 2.991 1.00 0.00 H new ATOM 0 HA THR A 39 14.271 12.826 1.257 1.00 0.00 H new ATOM 0 HB THR A 39 16.274 11.020 0.033 1.00 0.00 H new ATOM 0 HG1 THR A 39 17.628 12.633 0.813 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.750 12.312 -2.049 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.296 11.627 -1.286 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.668 13.357 -1.099 1.00 0.00 H new ATOM 650 N ILE A 40 13.362 10.302 1.132 1.00 0.00 N ATOM 651 CA ILE A 40 12.882 8.935 1.377 1.00 0.00 C ATOM 652 C ILE A 40 11.972 8.368 0.320 1.00 0.00 C ATOM 653 O ILE A 40 11.003 9.010 -0.007 1.00 0.00 O ATOM 654 CB ILE A 40 12.198 8.818 2.743 1.00 0.00 C ATOM 655 CG1 ILE A 40 13.104 9.183 3.930 1.00 0.00 C ATOM 656 CG2 ILE A 40 11.632 7.392 2.942 1.00 0.00 C ATOM 657 CD1 ILE A 40 12.435 9.089 5.319 1.00 0.00 C ATOM 0 H ILE A 40 12.747 10.874 0.554 1.00 0.00 H new ATOM 0 HA ILE A 40 13.792 8.335 1.348 1.00 0.00 H new ATOM 0 HB ILE A 40 11.391 9.550 2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.974 8.527 3.918 1.00 0.00 H new ATOM 0 HG13 ILE A 40 13.470 10.200 3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.149 7.325 3.917 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.903 7.178 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.445 6.667 2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.155 9.366 6.089 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.583 9.767 5.359 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.095 8.068 5.491 1.00 0.00 H new ATOM 669 N THR A 41 12.221 7.187 -0.233 1.00 0.00 N ATOM 670 CA THR A 41 11.360 6.594 -1.269 1.00 0.00 C ATOM 671 C THR A 41 11.188 5.110 -0.988 1.00 0.00 C ATOM 672 O THR A 41 12.134 4.315 -1.094 1.00 0.00 O ATOM 673 CB THR A 41 11.847 6.746 -2.692 1.00 0.00 C ATOM 674 OG1 THR A 41 12.500 7.978 -2.836 1.00 0.00 O ATOM 675 CG2 THR A 41 10.705 6.629 -3.674 1.00 0.00 C ATOM 0 H THR A 41 13.022 6.608 0.018 1.00 0.00 H new ATOM 0 HA THR A 41 10.425 7.151 -1.207 1.00 0.00 H new ATOM 0 HB THR A 41 12.550 5.941 -2.908 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.437 7.885 -2.566 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.085 6.742 -4.689 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.234 5.651 -3.570 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.970 7.409 -3.472 1.00 0.00 H new ATOM 683 N GLN A 42 9.975 4.742 -0.628 1.00 0.00 N ATOM 684 CA GLN A 42 9.618 3.388 -0.321 1.00 0.00 C ATOM 685 C GLN A 42 9.825 2.475 -1.476 1.00 0.00 C ATOM 686 O GLN A 42 9.786 2.865 -2.629 1.00 0.00 O ATOM 687 CB GLN A 42 8.110 3.398 0.032 1.00 0.00 C ATOM 688 CG GLN A 42 7.179 4.043 -0.982 1.00 0.00 C ATOM 689 CD GLN A 42 6.729 3.096 -2.080 1.00 0.00 C ATOM 690 OE1 GLN A 42 7.174 3.159 -3.257 1.00 0.00 O ATOM 691 NE2 GLN A 42 5.825 2.186 -1.721 1.00 0.00 N ATOM 0 H GLN A 42 9.198 5.398 -0.541 1.00 0.00 H new ATOM 0 HA GLN A 42 10.244 3.028 0.495 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.788 2.368 0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.986 3.913 0.985 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.301 4.429 -0.463 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.683 4.897 -1.434 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.483 2.159 -0.761 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.475 1.517 -2.406 1.00 0.00 H new ATOM 700 N GLU A 43 10.054 1.208 -1.205 1.00 0.00 N ATOM 701 CA GLU A 43 10.275 0.187 -2.214 1.00 0.00 C ATOM 702 C GLU A 43 9.807 -1.051 -1.489 1.00 0.00 C ATOM 703 O GLU A 43 9.392 -0.979 -0.342 1.00 0.00 O ATOM 704 CB GLU A 43 11.752 0.142 -2.552 1.00 0.00 C ATOM 705 CG GLU A 43 12.014 0.532 -4.004 1.00 0.00 C ATOM 706 CD GLU A 43 13.392 1.074 -4.039 1.00 0.00 C ATOM 707 OE1 GLU A 43 14.171 1.036 -3.125 1.00 0.00 O ATOM 708 OE2 GLU A 43 13.680 1.611 -5.193 1.00 0.00 O ATOM 0 H GLU A 43 10.093 0.847 -0.252 1.00 0.00 H new ATOM 0 HA GLU A 43 9.763 0.334 -3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.297 0.816 -1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.136 -0.862 -2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.917 -0.331 -4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.293 1.276 -4.344 1.00 0.00 H new ATOM 715 N GLY A 44 9.867 -2.220 -2.141 1.00 0.00 N ATOM 716 CA GLY A 44 9.456 -3.488 -1.572 1.00 0.00 C ATOM 717 C GLY A 44 10.248 -3.660 -0.286 1.00 0.00 C ATOM 718 O GLY A 44 11.383 -4.132 -0.309 1.00 0.00 O ATOM 0 H GLY A 44 10.211 -2.300 -3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.385 -3.494 -1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.656 -4.307 -2.263 1.00 0.00 H new ATOM 722 N ASN A 45 9.575 -3.248 0.811 1.00 0.00 N ATOM 723 CA ASN A 45 10.122 -3.308 2.144 1.00 0.00 C ATOM 724 C ASN A 45 11.240 -2.247 2.200 1.00 0.00 C ATOM 725 O ASN A 45 11.169 -1.272 2.921 1.00 0.00 O ATOM 726 CB ASN A 45 10.610 -4.712 2.557 1.00 0.00 C ATOM 727 CG ASN A 45 9.491 -5.749 2.640 1.00 0.00 C ATOM 728 OD1 ASN A 45 8.303 -5.446 2.399 1.00 0.00 O ATOM 729 ND2 ASN A 45 9.878 -6.977 2.981 1.00 0.00 N ATOM 0 H ASN A 45 8.631 -2.865 0.774 1.00 0.00 H new ATOM 0 HA ASN A 45 9.342 -3.095 2.875 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.357 -5.053 1.841 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.105 -4.645 3.526 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.190 -7.726 3.056 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.863 -7.168 3.167 1.00 0.00 H new ATOM 736 N LYS A 46 12.288 -2.453 1.414 1.00 0.00 N ATOM 737 CA LYS A 46 13.357 -1.439 1.462 1.00 0.00 C ATOM 738 C LYS A 46 12.856 -0.114 0.961 1.00 0.00 C ATOM 739 O LYS A 46 11.738 0.083 0.478 1.00 0.00 O ATOM 740 CB LYS A 46 14.539 -1.779 0.533 1.00 0.00 C ATOM 741 CG LYS A 46 14.811 -0.907 -0.658 1.00 0.00 C ATOM 742 CD LYS A 46 15.048 -1.748 -1.934 1.00 0.00 C ATOM 743 CE LYS A 46 13.862 -2.666 -2.201 1.00 0.00 C ATOM 744 NZ LYS A 46 14.151 -4.077 -1.885 1.00 0.00 N ATOM 0 H LYS A 46 12.428 -3.241 0.781 1.00 0.00 H new ATOM 0 HA LYS A 46 13.671 -1.410 2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.442 -1.791 1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.387 -2.795 0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.969 -0.233 -0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.685 -0.285 -0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.203 -1.088 -2.787 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.955 -2.341 -1.821 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.010 -2.333 -1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.574 -2.585 -3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.306 -4.606 -2.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.005 -4.133 -1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.347 -4.489 -1.371 1.00 0.00 H new ATOM 758 N PHE A 47 13.793 0.840 1.055 1.00 0.00 N ATOM 759 CA PHE A 47 13.465 2.144 0.516 1.00 0.00 C ATOM 760 C PHE A 47 14.698 2.917 0.048 1.00 0.00 C ATOM 761 O PHE A 47 15.670 3.082 0.757 1.00 0.00 O ATOM 762 CB PHE A 47 12.771 3.034 1.576 1.00 0.00 C ATOM 763 CG PHE A 47 12.346 2.355 2.856 1.00 0.00 C ATOM 764 CD1 PHE A 47 13.306 2.287 3.877 1.00 0.00 C ATOM 765 CD2 PHE A 47 11.117 1.807 3.112 1.00 0.00 C ATOM 766 CE1 PHE A 47 13.024 1.679 5.119 1.00 0.00 C ATOM 767 CE2 PHE A 47 10.779 1.197 4.304 1.00 0.00 C ATOM 768 CZ PHE A 47 11.749 1.135 5.314 1.00 0.00 C ATOM 0 H PHE A 47 14.719 0.738 1.471 1.00 0.00 H new ATOM 0 HA PHE A 47 12.807 1.941 -0.329 1.00 0.00 H new ATOM 0 HB2 PHE A 47 13.447 3.850 1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.889 3.483 1.119 1.00 0.00 H new ATOM 0 HD1 PHE A 47 14.285 2.710 3.708 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.368 1.855 2.336 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.771 1.635 5.898 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.794 0.779 4.454 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.510 0.661 6.255 1.00 0.00 H new ATOM 778 N THR A 48 14.559 3.367 -1.189 1.00 0.00 N ATOM 779 CA THR A 48 15.581 4.124 -1.862 1.00 0.00 C ATOM 780 C THR A 48 15.564 5.451 -1.193 1.00 0.00 C ATOM 781 O THR A 48 15.003 6.387 -1.777 1.00 0.00 O ATOM 782 CB THR A 48 15.399 4.370 -3.375 1.00 0.00 C ATOM 783 OG1 THR A 48 15.377 3.107 -4.014 1.00 0.00 O ATOM 784 CG2 THR A 48 16.546 5.225 -3.929 1.00 0.00 C ATOM 0 H THR A 48 13.723 3.211 -1.752 1.00 0.00 H new ATOM 0 HA THR A 48 16.503 3.546 -1.794 1.00 0.00 H new ATOM 0 HB THR A 48 14.470 4.910 -3.558 1.00 0.00 H new ATOM 0 HG1 THR A 48 14.603 3.057 -4.613 1.00 0.00 H new ATOM 0 HG21 THR A 48 16.397 5.386 -4.997 1.00 0.00 H new ATOM 0 HG22 THR A 48 16.563 6.187 -3.416 1.00 0.00 H new ATOM 0 HG23 THR A 48 17.494 4.711 -3.768 1.00 0.00 H new ATOM 792 N VAL A 49 16.128 5.587 -0.032 1.00 0.00 N ATOM 793 CA VAL A 49 16.155 6.864 0.686 1.00 0.00 C ATOM 794 C VAL A 49 17.510 7.425 0.315 1.00 0.00 C ATOM 795 O VAL A 49 18.402 6.617 0.017 1.00 0.00 O ATOM 796 CB VAL A 49 16.105 6.768 2.198 1.00 0.00 C ATOM 797 CG1 VAL A 49 15.026 5.776 2.634 1.00 0.00 C ATOM 798 CG2 VAL A 49 17.424 6.392 2.851 1.00 0.00 C ATOM 0 H VAL A 49 16.590 4.824 0.462 1.00 0.00 H new ATOM 0 HA VAL A 49 15.277 7.450 0.413 1.00 0.00 H new ATOM 0 HB VAL A 49 15.868 7.776 2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 49 15.003 5.719 3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 49 14.055 6.110 2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 49 15.250 4.791 2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 49 17.295 6.347 3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 49 17.748 5.418 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 49 18.177 7.141 2.607 1.00 0.00 H new ATOM 808 N LYS A 50 17.659 8.716 0.332 1.00 0.00 N ATOM 809 CA LYS A 50 18.970 9.270 -0.017 1.00 0.00 C ATOM 810 C LYS A 50 19.720 9.231 1.280 1.00 0.00 C ATOM 811 O LYS A 50 20.176 8.110 1.578 1.00 0.00 O ATOM 812 CB LYS A 50 18.871 10.673 -0.513 1.00 0.00 C ATOM 813 CG LYS A 50 18.407 10.818 -1.935 1.00 0.00 C ATOM 814 CD LYS A 50 18.546 12.261 -2.351 1.00 0.00 C ATOM 815 CE LYS A 50 19.842 12.321 -3.111 1.00 0.00 C ATOM 816 NZ LYS A 50 20.315 13.671 -3.301 1.00 0.00 N ATOM 0 H LYS A 50 16.936 9.395 0.570 1.00 0.00 H new ATOM 0 HA LYS A 50 19.450 8.711 -0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.187 11.222 0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.849 11.145 -0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 50 18.997 10.178 -2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.369 10.498 -2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.708 12.575 -2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.565 12.922 -1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.599 11.747 -2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.710 11.846 -4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.258 13.650 -3.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.657 14.186 -3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.372 14.152 -2.381 1.00 0.00 H new ATOM 830 N GLU A 51 19.812 10.355 1.950 1.00 0.00 N ATOM 831 CA GLU A 51 20.492 10.543 3.212 1.00 0.00 C ATOM 832 C GLU A 51 21.749 11.314 2.846 1.00 0.00 C ATOM 833 O GLU A 51 22.860 10.844 3.070 1.00 0.00 O ATOM 834 CB GLU A 51 20.944 9.276 3.860 1.00 0.00 C ATOM 835 CG GLU A 51 21.488 9.481 5.273 1.00 0.00 C ATOM 836 CD GLU A 51 21.610 8.249 6.069 1.00 0.00 C ATOM 837 OE1 GLU A 51 22.209 7.167 5.512 1.00 0.00 O ATOM 838 OE2 GLU A 51 21.172 8.265 7.189 1.00 0.00 O ATOM 0 H GLU A 51 19.388 11.217 1.608 1.00 0.00 H new ATOM 0 HA GLU A 51 19.812 11.028 3.912 1.00 0.00 H new ATOM 0 HB2 GLU A 51 20.108 8.577 3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.717 8.816 3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 51 22.468 9.953 5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.836 10.176 5.802 1.00 0.00 H new ATOM 845 N SER A 52 21.492 12.463 2.301 1.00 0.00 N ATOM 846 CA SER A 52 22.647 13.285 1.939 1.00 0.00 C ATOM 847 C SER A 52 22.762 14.274 3.065 1.00 0.00 C ATOM 848 O SER A 52 21.723 14.589 3.679 1.00 0.00 O ATOM 849 CB SER A 52 22.429 13.850 0.593 1.00 0.00 C ATOM 850 OG SER A 52 22.156 12.727 -0.250 1.00 0.00 O ATOM 0 H SER A 52 20.569 12.849 2.100 1.00 0.00 H new ATOM 0 HA SER A 52 23.596 12.757 1.846 1.00 0.00 H new ATOM 0 HB2 SER A 52 21.596 14.554 0.592 1.00 0.00 H new ATOM 0 HB3 SER A 52 23.308 14.395 0.249 1.00 0.00 H new ATOM 0 HG SER A 52 21.999 13.036 -1.166 1.00 0.00 H new ATOM 856 N SER A 53 23.927 14.788 3.441 1.00 0.00 N ATOM 857 CA SER A 53 23.910 15.714 4.575 1.00 0.00 C ATOM 858 C SER A 53 25.198 16.463 4.708 1.00 0.00 C ATOM 859 O SER A 53 25.723 16.651 5.804 1.00 0.00 O ATOM 860 CB SER A 53 23.537 15.019 5.897 1.00 0.00 C ATOM 861 OG SER A 53 24.647 14.487 6.562 1.00 0.00 O ATOM 0 H SER A 53 24.836 14.601 3.017 1.00 0.00 H new ATOM 0 HA SER A 53 23.126 16.440 4.360 1.00 0.00 H new ATOM 0 HB2 SER A 53 23.037 15.734 6.550 1.00 0.00 H new ATOM 0 HB3 SER A 53 22.824 14.220 5.694 1.00 0.00 H new ATOM 0 HG SER A 53 25.312 15.193 6.705 1.00 0.00 H new ATOM 867 N ASN A 54 25.742 16.910 3.608 1.00 0.00 N ATOM 868 CA ASN A 54 27.023 17.660 3.692 1.00 0.00 C ATOM 869 C ASN A 54 28.117 16.834 4.303 1.00 0.00 C ATOM 870 O ASN A 54 29.153 17.400 4.682 1.00 0.00 O ATOM 871 CB ASN A 54 26.831 18.947 4.545 1.00 0.00 C ATOM 872 CG ASN A 54 27.779 20.015 4.117 1.00 0.00 C ATOM 873 OD1 ASN A 54 28.665 19.783 3.274 1.00 0.00 O ATOM 874 ND2 ASN A 54 27.620 21.211 4.685 1.00 0.00 N ATOM 0 H ASN A 54 25.360 16.790 2.670 1.00 0.00 H new ATOM 0 HA ASN A 54 27.313 17.918 2.673 1.00 0.00 H new ATOM 0 HB2 ASN A 54 25.806 19.304 4.446 1.00 0.00 H new ATOM 0 HB3 ASN A 54 26.988 18.717 5.599 1.00 0.00 H new ATOM 0 HD21 ASN A 54 28.239 21.982 4.433 1.00 0.00 H new ATOM 0 HD22 ASN A 54 26.880 21.355 5.372 1.00 0.00 H new ATOM 881 N PHE A 55 28.003 15.539 4.445 1.00 0.00 N ATOM 882 CA PHE A 55 29.063 14.744 5.040 1.00 0.00 C ATOM 883 C PHE A 55 29.200 13.344 4.586 1.00 0.00 C ATOM 884 O PHE A 55 30.330 12.925 4.395 1.00 0.00 O ATOM 885 CB PHE A 55 28.731 14.519 6.519 1.00 0.00 C ATOM 886 CG PHE A 55 29.881 14.750 7.432 1.00 0.00 C ATOM 887 CD1 PHE A 55 30.781 15.792 7.230 1.00 0.00 C ATOM 888 CD2 PHE A 55 30.043 13.888 8.518 1.00 0.00 C ATOM 889 CE1 PHE A 55 31.861 16.017 8.081 1.00 0.00 C ATOM 890 CE2 PHE A 55 31.113 14.088 9.388 1.00 0.00 C ATOM 891 CZ PHE A 55 31.999 15.140 9.155 1.00 0.00 C ATOM 0 H PHE A 55 27.184 15.003 4.157 1.00 0.00 H new ATOM 0 HA PHE A 55 29.955 15.315 4.781 1.00 0.00 H new ATOM 0 HB2 PHE A 55 27.914 15.182 6.804 1.00 0.00 H new ATOM 0 HB3 PHE A 55 28.374 13.498 6.651 1.00 0.00 H new ATOM 0 HD1 PHE A 55 30.637 16.449 6.385 1.00 0.00 H new ATOM 0 HD2 PHE A 55 29.349 13.077 8.682 1.00 0.00 H new ATOM 0 HE1 PHE A 55 32.555 16.828 7.917 1.00 0.00 H new ATOM 0 HE2 PHE A 55 31.255 13.434 10.236 1.00 0.00 H new ATOM 0 HZ PHE A 55 32.826 15.281 9.835 1.00 0.00 H new ATOM 901 N ARG A 56 28.088 12.659 4.422 1.00 0.00 N ATOM 902 CA ARG A 56 28.047 11.283 3.984 1.00 0.00 C ATOM 903 C ARG A 56 26.966 11.143 2.939 1.00 0.00 C ATOM 904 O ARG A 56 26.020 10.399 3.116 1.00 0.00 O ATOM 905 CB ARG A 56 27.715 10.324 5.121 1.00 0.00 C ATOM 906 CG ARG A 56 28.823 10.059 6.136 1.00 0.00 C ATOM 907 CD ARG A 56 29.220 8.599 6.227 1.00 0.00 C ATOM 908 NE ARG A 56 30.635 8.335 6.022 1.00 0.00 N ATOM 909 CZ ARG A 56 31.213 7.978 4.874 1.00 0.00 C ATOM 910 NH1 ARG A 56 30.565 7.813 3.744 1.00 0.00 N ATOM 911 NH2 ARG A 56 32.519 7.779 4.874 1.00 0.00 N ATOM 0 H ARG A 56 27.164 13.056 4.595 1.00 0.00 H new ATOM 0 HA ARG A 56 29.034 11.032 3.595 1.00 0.00 H new ATOM 0 HB2 ARG A 56 26.850 10.716 5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 56 27.416 9.370 4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 56 29.699 10.650 5.869 1.00 0.00 H new ATOM 0 HG3 ARG A 56 28.495 10.401 7.118 1.00 0.00 H new ATOM 0 HD2 ARG A 56 28.933 8.220 7.208 1.00 0.00 H new ATOM 0 HD3 ARG A 56 28.650 8.036 5.488 1.00 0.00 H new ATOM 0 HE ARG A 56 31.244 8.432 6.834 1.00 0.00 H new ATOM 0 HH11 ARG A 56 29.556 7.959 3.709 1.00 0.00 H new ATOM 0 HH12 ARG A 56 31.070 7.539 2.902 1.00 0.00 H new ATOM 0 HH21 ARG A 56 33.053 7.899 5.735 1.00 0.00 H new ATOM 0 HH22 ARG A 56 32.993 7.505 4.013 1.00 0.00 H new ATOM 925 N ASN A 57 27.212 11.897 1.915 1.00 0.00 N ATOM 926 CA ASN A 57 26.372 11.972 0.778 1.00 0.00 C ATOM 927 C ASN A 57 26.207 10.547 0.237 1.00 0.00 C ATOM 928 O ASN A 57 27.200 9.920 -0.157 1.00 0.00 O ATOM 929 CB ASN A 57 27.017 12.931 -0.243 1.00 0.00 C ATOM 930 CG ASN A 57 26.332 12.849 -1.589 1.00 0.00 C ATOM 931 OD1 ASN A 57 26.758 12.079 -2.469 1.00 0.00 O ATOM 932 ND2 ASN A 57 25.291 13.624 -1.762 1.00 0.00 N ATOM 0 H ASN A 57 28.035 12.496 1.852 1.00 0.00 H new ATOM 0 HA ASN A 57 25.383 12.367 1.010 1.00 0.00 H new ATOM 0 HB2 ASN A 57 26.964 13.953 0.132 1.00 0.00 H new ATOM 0 HB3 ASN A 57 28.073 12.688 -0.356 1.00 0.00 H new ATOM 0 HD21 ASN A 57 24.790 13.614 -2.650 1.00 0.00 H new ATOM 0 HD22 ASN A 57 24.981 14.238 -1.009 1.00 0.00 H new ATOM 939 N ILE A 58 24.994 10.038 0.215 1.00 0.00 N ATOM 940 CA ILE A 58 24.841 8.712 -0.287 1.00 0.00 C ATOM 941 C ILE A 58 23.371 8.353 -0.288 1.00 0.00 C ATOM 942 O ILE A 58 22.568 9.041 0.378 1.00 0.00 O ATOM 943 CB ILE A 58 25.518 7.675 0.586 1.00 0.00 C ATOM 944 CG1 ILE A 58 26.408 6.747 -0.235 1.00 0.00 C ATOM 945 CG2 ILE A 58 24.522 6.892 1.419 1.00 0.00 C ATOM 946 CD1 ILE A 58 27.733 6.572 0.469 1.00 0.00 C ATOM 0 H ILE A 58 24.142 10.505 0.526 1.00 0.00 H new ATOM 0 HA ILE A 58 25.288 8.703 -1.281 1.00 0.00 H new ATOM 0 HB ILE A 58 26.159 8.217 1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 58 25.922 5.780 -0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 58 26.564 7.162 -1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 58 25.053 6.161 2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 58 23.973 7.575 2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 58 23.823 6.377 0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 58 28.371 5.909 -0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 58 28.219 7.542 0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 58 27.567 6.139 1.455 1.00 0.00 H new ATOM 958 N ASP A 59 23.034 7.302 -1.013 1.00 0.00 N ATOM 959 CA ASP A 59 21.664 6.870 -1.080 1.00 0.00 C ATOM 960 C ASP A 59 21.597 5.467 -0.498 1.00 0.00 C ATOM 961 O ASP A 59 22.358 4.605 -0.937 1.00 0.00 O ATOM 962 CB ASP A 59 21.094 6.808 -2.497 1.00 0.00 C ATOM 963 CG ASP A 59 22.007 6.437 -3.620 1.00 0.00 C ATOM 964 OD1 ASP A 59 23.221 6.901 -3.559 1.00 0.00 O ATOM 965 OD2 ASP A 59 21.622 5.739 -4.542 1.00 0.00 O ATOM 0 H ASP A 59 23.689 6.741 -1.557 1.00 0.00 H new ATOM 0 HA ASP A 59 21.072 7.602 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 59 20.270 6.095 -2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 59 20.668 7.785 -2.726 1.00 0.00 H new ATOM 970 N VAL A 60 20.712 5.287 0.449 1.00 0.00 N ATOM 971 CA VAL A 60 20.551 4.025 1.083 1.00 0.00 C ATOM 972 C VAL A 60 19.268 3.373 0.639 1.00 0.00 C ATOM 973 O VAL A 60 18.212 4.018 0.714 1.00 0.00 O ATOM 974 CB VAL A 60 20.508 4.188 2.610 1.00 0.00 C ATOM 975 CG1 VAL A 60 20.782 2.861 3.313 1.00 0.00 C ATOM 976 CG2 VAL A 60 21.481 5.212 3.122 1.00 0.00 C ATOM 0 H VAL A 60 20.089 6.017 0.794 1.00 0.00 H new ATOM 0 HA VAL A 60 21.401 3.403 0.802 1.00 0.00 H new ATOM 0 HB VAL A 60 19.500 4.534 2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 60 20.745 3.007 4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 60 20.027 2.131 3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 60 21.769 2.496 3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 60 21.401 5.279 4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 60 22.495 4.918 2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 60 21.254 6.182 2.681 1.00 0.00 H new ATOM 986 N VAL A 61 19.387 2.146 0.199 1.00 0.00 N ATOM 987 CA VAL A 61 18.256 1.325 -0.279 1.00 0.00 C ATOM 988 C VAL A 61 18.137 0.159 0.660 1.00 0.00 C ATOM 989 O VAL A 61 18.034 -0.994 0.266 1.00 0.00 O ATOM 990 CB VAL A 61 18.477 0.867 -1.703 1.00 0.00 C ATOM 991 CG1 VAL A 61 17.137 0.691 -2.455 1.00 0.00 C ATOM 992 CG2 VAL A 61 19.359 1.820 -2.524 1.00 0.00 C ATOM 0 H VAL A 61 20.283 1.661 0.154 1.00 0.00 H new ATOM 0 HA VAL A 61 17.333 1.905 -0.287 1.00 0.00 H new ATOM 0 HB VAL A 61 18.994 -0.088 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 61 17.333 0.361 -3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 61 16.528 -0.054 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 61 16.605 1.642 -2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.475 1.429 -3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 61 18.890 2.803 -2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 61 20.339 1.905 -2.054 1.00 0.00 H new ATOM 1002 N PHE A 62 18.155 0.485 1.942 1.00 0.00 N ATOM 1003 CA PHE A 62 18.065 -0.555 2.930 1.00 0.00 C ATOM 1004 C PHE A 62 16.709 -1.214 3.030 1.00 0.00 C ATOM 1005 O PHE A 62 15.700 -0.501 3.080 1.00 0.00 O ATOM 1006 CB PHE A 62 18.501 -0.034 4.328 1.00 0.00 C ATOM 1007 CG PHE A 62 18.111 1.372 4.717 1.00 0.00 C ATOM 1008 CD1 PHE A 62 17.016 2.075 4.228 1.00 0.00 C ATOM 1009 CD2 PHE A 62 18.893 2.042 5.640 1.00 0.00 C ATOM 1010 CE1 PHE A 62 16.698 3.379 4.623 1.00 0.00 C ATOM 1011 CE2 PHE A 62 18.611 3.331 6.056 1.00 0.00 C ATOM 1012 CZ PHE A 62 17.508 4.011 5.551 1.00 0.00 C ATOM 0 H PHE A 62 18.229 1.435 2.307 1.00 0.00 H new ATOM 0 HA PHE A 62 18.753 -1.327 2.585 1.00 0.00 H new ATOM 0 HB2 PHE A 62 18.094 -0.712 5.078 1.00 0.00 H new ATOM 0 HB3 PHE A 62 19.587 -0.107 4.387 1.00 0.00 H new ATOM 0 HD1 PHE A 62 16.377 1.589 3.505 1.00 0.00 H new ATOM 0 HD2 PHE A 62 19.756 1.540 6.052 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.836 3.883 4.211 1.00 0.00 H new ATOM 0 HE2 PHE A 62 19.253 3.813 6.779 1.00 0.00 H new ATOM 0 HZ PHE A 62 17.287 5.016 5.878 1.00 0.00 H new ATOM 1022 N GLU A 63 16.740 -2.531 3.052 1.00 0.00 N ATOM 1023 CA GLU A 63 15.601 -3.413 3.146 1.00 0.00 C ATOM 1024 C GLU A 63 15.034 -3.187 4.546 1.00 0.00 C ATOM 1025 O GLU A 63 15.026 -4.106 5.395 1.00 0.00 O ATOM 1026 CB GLU A 63 15.852 -4.918 2.866 1.00 0.00 C ATOM 1027 CG GLU A 63 14.483 -5.557 2.524 1.00 0.00 C ATOM 1028 CD GLU A 63 14.210 -6.827 3.302 1.00 0.00 C ATOM 1029 OE1 GLU A 63 13.959 -6.592 4.560 1.00 0.00 O ATOM 1030 OE2 GLU A 63 14.244 -7.912 2.748 1.00 0.00 O ATOM 0 H GLU A 63 17.620 -3.044 3.001 1.00 0.00 H new ATOM 0 HA GLU A 63 14.908 -3.160 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.552 -5.044 2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.296 -5.402 3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.691 -4.836 2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.448 -5.777 1.457 1.00 0.00 H new ATOM 1037 N LEU A 64 14.552 -1.952 4.792 1.00 0.00 N ATOM 1038 CA LEU A 64 13.990 -1.639 6.072 1.00 0.00 C ATOM 1039 C LEU A 64 15.115 -1.577 7.127 1.00 0.00 C ATOM 1040 O LEU A 64 15.573 -0.472 7.372 1.00 0.00 O ATOM 1041 CB LEU A 64 12.905 -2.656 6.510 1.00 0.00 C ATOM 1042 CG LEU A 64 11.495 -1.990 6.485 1.00 0.00 C ATOM 1043 CD1 LEU A 64 10.437 -3.016 6.100 1.00 0.00 C ATOM 1044 CD2 LEU A 64 11.205 -1.459 7.876 1.00 0.00 C ATOM 0 H LEU A 64 14.551 -1.185 4.120 1.00 0.00 H new ATOM 0 HA LEU A 64 13.500 -0.669 5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.918 -3.520 5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.124 -3.022 7.513 1.00 0.00 H new ATOM 0 HG LEU A 64 11.475 -1.183 5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.457 -2.540 6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.661 -3.416 5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.436 -3.828 6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.223 -0.987 7.888 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.220 -2.282 8.590 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.963 -0.726 8.151 1.00 0.00 H new ATOM 1056 N GLY A 65 15.423 -2.752 7.629 1.00 0.00 N ATOM 1057 CA GLY A 65 16.467 -2.782 8.675 1.00 0.00 C ATOM 1058 C GLY A 65 17.823 -3.268 8.233 1.00 0.00 C ATOM 1059 O GLY A 65 18.489 -2.486 7.530 1.00 0.00 O ATOM 0 H GLY A 65 15.012 -3.648 7.367 1.00 0.00 H new ATOM 0 HA2 GLY A 65 16.577 -1.777 9.081 1.00 0.00 H new ATOM 0 HA3 GLY A 65 16.121 -3.419 9.489 1.00 0.00 H new ATOM 1063 N VAL A 66 18.315 -4.460 8.555 1.00 0.00 N ATOM 1064 CA VAL A 66 19.649 -4.920 8.119 1.00 0.00 C ATOM 1065 C VAL A 66 20.658 -4.155 8.947 1.00 0.00 C ATOM 1066 O VAL A 66 20.608 -2.927 9.079 1.00 0.00 O ATOM 1067 CB VAL A 66 19.753 -4.751 6.632 1.00 0.00 C ATOM 1068 CG1 VAL A 66 20.857 -3.807 6.197 1.00 0.00 C ATOM 1069 CG2 VAL A 66 19.967 -6.074 5.872 1.00 0.00 C ATOM 0 H VAL A 66 17.810 -5.140 9.123 1.00 0.00 H new ATOM 0 HA VAL A 66 19.839 -5.980 8.289 1.00 0.00 H new ATOM 0 HB VAL A 66 18.782 -4.327 6.375 1.00 0.00 H new ATOM 0 HG11 VAL A 66 20.868 -3.737 5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 66 20.680 -2.819 6.622 1.00 0.00 H new ATOM 0 HG13 VAL A 66 21.818 -4.185 6.546 1.00 0.00 H new ATOM 0 HG21 VAL A 66 20.033 -5.873 4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 66 20.891 -6.543 6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 66 19.129 -6.744 6.064 1.00 0.00 H new ATOM 1079 N ASP A 67 21.635 -4.787 9.581 1.00 0.00 N ATOM 1080 CA ASP A 67 22.590 -4.088 10.403 1.00 0.00 C ATOM 1081 C ASP A 67 23.294 -2.935 9.804 1.00 0.00 C ATOM 1082 O ASP A 67 23.252 -2.711 8.589 1.00 0.00 O ATOM 1083 CB ASP A 67 23.477 -5.085 11.211 1.00 0.00 C ATOM 1084 CG ASP A 67 24.831 -5.273 10.633 1.00 0.00 C ATOM 1085 OD1 ASP A 67 25.790 -4.587 10.891 1.00 0.00 O ATOM 1086 OD2 ASP A 67 24.864 -6.287 9.791 1.00 0.00 O ATOM 0 H ASP A 67 21.781 -5.795 9.535 1.00 0.00 H new ATOM 0 HA ASP A 67 21.985 -3.543 11.128 1.00 0.00 H new ATOM 0 HB2 ASP A 67 23.574 -4.725 12.235 1.00 0.00 H new ATOM 0 HB3 ASP A 67 22.974 -6.051 11.259 1.00 0.00 H new ATOM 1091 N PHE A 68 23.972 -2.164 10.642 1.00 0.00 N ATOM 1092 CA PHE A 68 24.736 -0.962 10.241 1.00 0.00 C ATOM 1093 C PHE A 68 25.799 -0.608 11.245 1.00 0.00 C ATOM 1094 O PHE A 68 25.991 0.592 11.483 1.00 0.00 O ATOM 1095 CB PHE A 68 23.841 0.292 9.963 1.00 0.00 C ATOM 1096 CG PHE A 68 23.060 0.188 8.704 1.00 0.00 C ATOM 1097 CD1 PHE A 68 23.640 0.640 7.525 1.00 0.00 C ATOM 1098 CD2 PHE A 68 21.773 -0.354 8.725 1.00 0.00 C ATOM 1099 CE1 PHE A 68 22.940 0.560 6.326 1.00 0.00 C ATOM 1100 CE2 PHE A 68 21.058 -0.437 7.518 1.00 0.00 C ATOM 1101 CZ PHE A 68 21.657 0.019 6.363 1.00 0.00 C ATOM 0 H PHE A 68 24.016 -2.349 11.644 1.00 0.00 H new ATOM 0 HA PHE A 68 25.208 -1.239 9.299 1.00 0.00 H new ATOM 0 HB2 PHE A 68 23.154 0.432 10.798 1.00 0.00 H new ATOM 0 HB3 PHE A 68 24.473 1.179 9.918 1.00 0.00 H new ATOM 0 HD1 PHE A 68 24.637 1.055 7.540 1.00 0.00 H new ATOM 0 HD2 PHE A 68 21.336 -0.702 9.649 1.00 0.00 H new ATOM 0 HE1 PHE A 68 23.375 0.905 5.400 1.00 0.00 H new ATOM 0 HE2 PHE A 68 20.060 -0.849 7.496 1.00 0.00 H new ATOM 0 HZ PHE A 68 21.102 -0.047 5.439 1.00 0.00 H new ATOM 1111 N ALA A 69 26.481 -1.587 11.831 1.00 0.00 N ATOM 1112 CA ALA A 69 27.531 -1.280 12.804 1.00 0.00 C ATOM 1113 C ALA A 69 28.595 -0.468 12.049 1.00 0.00 C ATOM 1114 O ALA A 69 29.600 -1.003 11.588 1.00 0.00 O ATOM 1115 CB ALA A 69 28.152 -2.541 13.322 1.00 0.00 C ATOM 0 H ALA A 69 26.333 -2.581 11.656 1.00 0.00 H new ATOM 0 HA ALA A 69 27.123 -0.732 13.653 1.00 0.00 H new ATOM 0 HB1 ALA A 69 28.930 -2.293 14.044 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.389 -3.150 13.806 1.00 0.00 H new ATOM 0 HB3 ALA A 69 28.590 -3.098 12.494 1.00 0.00 H new ATOM 1121 N TYR A 70 28.328 0.825 11.930 1.00 0.00 N ATOM 1122 CA TYR A 70 29.202 1.693 11.226 1.00 0.00 C ATOM 1123 C TYR A 70 29.449 3.000 11.918 1.00 0.00 C ATOM 1124 O TYR A 70 30.555 3.473 11.715 1.00 0.00 O ATOM 1125 CB TYR A 70 28.584 1.973 9.815 1.00 0.00 C ATOM 1126 CG TYR A 70 28.277 3.419 9.512 1.00 0.00 C ATOM 1127 CD1 TYR A 70 29.232 4.429 9.404 1.00 0.00 C ATOM 1128 CD2 TYR A 70 26.961 3.890 9.305 1.00 0.00 C ATOM 1129 CE1 TYR A 70 28.935 5.775 9.122 1.00 0.00 C ATOM 1130 CE2 TYR A 70 26.617 5.215 9.025 1.00 0.00 C ATOM 1131 CZ TYR A 70 27.616 6.192 8.929 1.00 0.00 C ATOM 1132 OH TYR A 70 27.273 7.493 8.655 1.00 0.00 O ATOM 0 H TYR A 70 27.503 1.279 12.322 1.00 0.00 H new ATOM 0 HA TYR A 70 30.168 1.192 11.161 1.00 0.00 H new ATOM 0 HB2 TYR A 70 29.272 1.600 9.056 1.00 0.00 H new ATOM 0 HB3 TYR A 70 27.663 1.397 9.721 1.00 0.00 H new ATOM 0 HD1 TYR A 70 30.268 4.160 9.546 1.00 0.00 H new ATOM 0 HD2 TYR A 70 26.159 3.170 9.368 1.00 0.00 H new ATOM 0 HE1 TYR A 70 29.737 6.495 9.054 1.00 0.00 H new ATOM 0 HE2 TYR A 70 25.581 5.486 8.883 1.00 0.00 H new ATOM 0 HH TYR A 70 26.300 7.561 8.556 1.00 0.00 H new ATOM 1142 N SER A 71 28.472 3.500 12.662 1.00 0.00 N ATOM 1143 CA SER A 71 28.485 4.716 13.409 1.00 0.00 C ATOM 1144 C SER A 71 27.510 5.739 12.825 1.00 0.00 C ATOM 1145 O SER A 71 27.173 5.784 11.654 1.00 0.00 O ATOM 1146 CB SER A 71 29.800 5.419 13.550 1.00 0.00 C ATOM 1147 OG SER A 71 30.092 6.376 12.552 1.00 0.00 O ATOM 0 H SER A 71 27.582 3.011 12.755 1.00 0.00 H new ATOM 0 HA SER A 71 28.202 4.366 14.402 1.00 0.00 H new ATOM 0 HB2 SER A 71 29.824 5.914 14.521 1.00 0.00 H new ATOM 0 HB3 SER A 71 30.593 4.671 13.554 1.00 0.00 H new ATOM 0 HG SER A 71 30.403 5.920 11.742 1.00 0.00 H new ATOM 1153 N LEU A 72 27.073 6.551 13.748 1.00 0.00 N ATOM 1154 CA LEU A 72 26.110 7.597 13.486 1.00 0.00 C ATOM 1155 C LEU A 72 26.950 8.769 13.021 1.00 0.00 C ATOM 1156 O LEU A 72 27.696 9.351 13.860 1.00 0.00 O ATOM 1157 CB LEU A 72 25.408 7.925 14.824 1.00 0.00 C ATOM 1158 CG LEU A 72 24.593 9.222 14.806 1.00 0.00 C ATOM 1159 CD1 LEU A 72 25.460 10.454 15.098 1.00 0.00 C ATOM 1160 CD2 LEU A 72 23.837 9.403 13.521 1.00 0.00 C ATOM 0 H LEU A 72 27.378 6.508 14.720 1.00 0.00 H new ATOM 0 HA LEU A 72 25.348 7.336 12.751 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.748 7.098 15.087 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.161 7.994 15.609 1.00 0.00 H new ATOM 0 HG LEU A 72 23.863 9.128 15.610 1.00 0.00 H new ATOM 0 HD11 LEU A 72 24.839 11.350 15.075 1.00 0.00 H new ATOM 0 HD12 LEU A 72 25.915 10.353 16.083 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.243 10.535 14.344 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.275 10.336 13.558 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.539 9.434 12.687 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.148 8.570 13.384 1.00 0.00 H new ATOM 1172 N ALA A 73 26.848 9.117 11.736 1.00 0.00 N ATOM 1173 CA ALA A 73 27.542 10.192 11.057 1.00 0.00 C ATOM 1174 C ALA A 73 28.817 10.657 11.733 1.00 0.00 C ATOM 1175 O ALA A 73 28.889 11.839 12.050 1.00 0.00 O ATOM 1176 CB ALA A 73 26.609 11.359 10.732 1.00 0.00 C ATOM 0 H ALA A 73 26.229 8.610 11.103 1.00 0.00 H new ATOM 0 HA ALA A 73 27.875 9.753 10.116 1.00 0.00 H new ATOM 0 HB1 ALA A 73 27.170 12.143 10.223 1.00 0.00 H new ATOM 0 HB2 ALA A 73 25.803 11.012 10.085 1.00 0.00 H new ATOM 0 HB3 ALA A 73 26.187 11.756 11.655 1.00 0.00 H new ATOM 1182 N ASP A 74 29.751 9.715 11.928 1.00 0.00 N ATOM 1183 CA ASP A 74 31.037 9.893 12.549 1.00 0.00 C ATOM 1184 C ASP A 74 30.988 9.859 14.078 1.00 0.00 C ATOM 1185 O ASP A 74 30.767 10.930 14.660 1.00 0.00 O ATOM 1186 CB ASP A 74 31.866 11.086 12.193 1.00 0.00 C ATOM 1187 CG ASP A 74 32.431 11.025 10.769 1.00 0.00 C ATOM 1188 OD1 ASP A 74 31.648 11.150 9.750 1.00 0.00 O ATOM 1189 OD2 ASP A 74 33.686 10.848 10.595 1.00 0.00 O ATOM 0 H ASP A 74 29.601 8.751 11.630 1.00 0.00 H new ATOM 0 HA ASP A 74 31.531 9.026 12.110 1.00 0.00 H new ATOM 0 HB2 ASP A 74 31.260 11.986 12.298 1.00 0.00 H new ATOM 0 HB3 ASP A 74 32.690 11.172 12.901 1.00 0.00 H new ATOM 1194 N GLY A 75 31.187 8.690 14.664 1.00 0.00 N ATOM 1195 CA GLY A 75 31.169 8.503 16.121 1.00 0.00 C ATOM 1196 C GLY A 75 31.780 7.141 16.530 1.00 0.00 C ATOM 1197 O GLY A 75 33.002 6.975 16.600 1.00 0.00 O ATOM 0 H GLY A 75 31.368 7.831 14.145 1.00 0.00 H new ATOM 0 HA2 GLY A 75 31.725 9.310 16.598 1.00 0.00 H new ATOM 0 HA3 GLY A 75 30.143 8.565 16.483 1.00 0.00 H new ATOM 1201 N THR A 76 30.930 6.191 16.795 1.00 0.00 N ATOM 1202 CA THR A 76 31.417 4.891 17.182 1.00 0.00 C ATOM 1203 C THR A 76 30.727 3.792 16.393 1.00 0.00 C ATOM 1204 O THR A 76 31.413 3.007 15.750 1.00 0.00 O ATOM 1205 CB THR A 76 31.092 4.673 18.682 1.00 0.00 C ATOM 1206 OG1 THR A 76 32.224 5.074 19.405 1.00 0.00 O ATOM 1207 CG2 THR A 76 30.810 3.244 19.095 1.00 0.00 C ATOM 0 H THR A 76 29.915 6.284 16.753 1.00 0.00 H new ATOM 0 HA THR A 76 32.489 4.851 16.990 1.00 0.00 H new ATOM 0 HB THR A 76 30.182 5.240 18.878 1.00 0.00 H new ATOM 0 HG1 THR A 76 32.376 4.452 20.146 1.00 0.00 H new ATOM 0 HG21 THR A 76 30.596 3.210 20.163 1.00 0.00 H new ATOM 0 HG22 THR A 76 29.951 2.868 18.540 1.00 0.00 H new ATOM 0 HG23 THR A 76 31.681 2.624 18.880 1.00 0.00 H new ATOM 1215 N GLU A 77 29.409 3.734 16.439 1.00 0.00 N ATOM 1216 CA GLU A 77 28.735 2.650 15.675 1.00 0.00 C ATOM 1217 C GLU A 77 27.225 2.733 15.701 1.00 0.00 C ATOM 1218 O GLU A 77 26.621 3.765 16.027 1.00 0.00 O ATOM 1219 CB GLU A 77 29.037 1.316 16.407 1.00 0.00 C ATOM 1220 CG GLU A 77 29.979 0.378 15.632 1.00 0.00 C ATOM 1221 CD GLU A 77 30.844 -0.487 16.508 1.00 0.00 C ATOM 1222 OE1 GLU A 77 31.515 -0.037 17.389 1.00 0.00 O ATOM 1223 OE2 GLU A 77 30.834 -1.765 16.266 1.00 0.00 O ATOM 0 H GLU A 77 28.799 4.369 16.955 1.00 0.00 H new ATOM 0 HA GLU A 77 29.094 2.728 14.649 1.00 0.00 H new ATOM 0 HB2 GLU A 77 29.480 1.538 17.378 1.00 0.00 H new ATOM 0 HB3 GLU A 77 28.098 0.796 16.596 1.00 0.00 H new ATOM 0 HG2 GLU A 77 29.382 -0.263 14.983 1.00 0.00 H new ATOM 0 HG3 GLU A 77 30.620 0.978 14.986 1.00 0.00 H new ATOM 1230 N LEU A 78 26.495 1.674 15.377 1.00 0.00 N ATOM 1231 CA LEU A 78 25.037 1.572 15.426 1.00 0.00 C ATOM 1232 C LEU A 78 24.726 0.151 14.858 1.00 0.00 C ATOM 1233 O LEU A 78 24.556 0.043 13.632 1.00 0.00 O ATOM 1234 CB LEU A 78 24.332 2.533 14.456 1.00 0.00 C ATOM 1235 CG LEU A 78 23.663 3.811 15.001 1.00 0.00 C ATOM 1236 CD1 LEU A 78 24.203 4.982 14.221 1.00 0.00 C ATOM 1237 CD2 LEU A 78 22.153 3.794 14.744 1.00 0.00 C ATOM 0 H LEU A 78 26.928 0.809 15.053 1.00 0.00 H new ATOM 0 HA LEU A 78 24.702 1.784 16.441 1.00 0.00 H new ATOM 0 HB2 LEU A 78 25.066 2.841 13.712 1.00 0.00 H new ATOM 0 HB3 LEU A 78 23.566 1.962 13.931 1.00 0.00 H new ATOM 0 HG LEU A 78 23.862 3.876 16.071 1.00 0.00 H new ATOM 0 HD11 LEU A 78 23.747 5.903 14.585 1.00 0.00 H new ATOM 0 HD12 LEU A 78 25.284 5.037 14.349 1.00 0.00 H new ATOM 0 HD13 LEU A 78 23.969 4.854 13.164 1.00 0.00 H new ATOM 0 HD21 LEU A 78 21.706 4.707 15.138 1.00 0.00 H new ATOM 0 HD22 LEU A 78 21.967 3.733 13.672 1.00 0.00 H new ATOM 0 HD23 LEU A 78 21.709 2.930 15.239 1.00 0.00 H new ATOM 1249 N THR A 79 24.681 -0.834 15.684 1.00 0.00 N ATOM 1250 CA THR A 79 24.445 -2.202 15.159 1.00 0.00 C ATOM 1251 C THR A 79 23.012 -2.640 15.360 1.00 0.00 C ATOM 1252 O THR A 79 22.583 -3.704 15.798 1.00 0.00 O ATOM 1253 CB THR A 79 25.440 -3.258 15.657 1.00 0.00 C ATOM 1254 OG1 THR A 79 24.875 -4.106 16.592 1.00 0.00 O ATOM 1255 CG2 THR A 79 26.760 -2.662 16.203 1.00 0.00 C ATOM 0 H THR A 79 24.795 -0.762 16.695 1.00 0.00 H new ATOM 0 HA THR A 79 24.630 -2.128 14.087 1.00 0.00 H new ATOM 0 HB THR A 79 25.697 -3.837 14.770 1.00 0.00 H new ATOM 0 HG1 THR A 79 24.072 -4.521 16.214 1.00 0.00 H new ATOM 0 HG21 THR A 79 27.413 -3.469 16.536 1.00 0.00 H new ATOM 0 HG22 THR A 79 27.257 -2.095 15.415 1.00 0.00 H new ATOM 0 HG23 THR A 79 26.541 -2.002 17.042 1.00 0.00 H new ATOM 1263 N GLY A 80 22.122 -1.719 14.977 1.00 0.00 N ATOM 1264 CA GLY A 80 20.693 -1.978 15.075 1.00 0.00 C ATOM 1265 C GLY A 80 20.250 -2.448 13.683 1.00 0.00 C ATOM 1266 O GLY A 80 20.609 -3.554 13.305 1.00 0.00 O ATOM 0 H GLY A 80 22.366 -0.802 14.602 1.00 0.00 H new ATOM 0 HA2 GLY A 80 20.485 -2.739 15.828 1.00 0.00 H new ATOM 0 HA3 GLY A 80 20.153 -1.079 15.373 1.00 0.00 H new ATOM 1270 N THR A 81 19.518 -1.586 13.021 1.00 0.00 N ATOM 1271 CA THR A 81 19.036 -1.909 11.670 1.00 0.00 C ATOM 1272 C THR A 81 18.309 -0.763 10.940 1.00 0.00 C ATOM 1273 O THR A 81 18.404 -0.511 9.755 1.00 0.00 O ATOM 1274 CB THR A 81 17.998 -3.047 11.757 1.00 0.00 C ATOM 1275 OG1 THR A 81 17.294 -2.902 12.999 1.00 0.00 O ATOM 1276 CG2 THR A 81 18.527 -4.470 11.696 1.00 0.00 C ATOM 0 H THR A 81 19.239 -0.670 13.373 1.00 0.00 H new ATOM 0 HA THR A 81 19.940 -2.159 11.115 1.00 0.00 H new ATOM 0 HB THR A 81 17.382 -2.933 10.865 1.00 0.00 H new ATOM 0 HG1 THR A 81 16.625 -3.613 13.081 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.695 -5.171 11.768 1.00 0.00 H new ATOM 0 HG22 THR A 81 19.051 -4.623 10.752 1.00 0.00 H new ATOM 0 HG23 THR A 81 19.215 -4.638 12.524 1.00 0.00 H new ATOM 1284 N TRP A 82 17.616 -0.121 11.802 1.00 0.00 N ATOM 1285 CA TRP A 82 16.812 1.071 11.584 1.00 0.00 C ATOM 1286 C TRP A 82 15.566 0.681 10.808 1.00 0.00 C ATOM 1287 O TRP A 82 15.521 0.965 9.579 1.00 0.00 O ATOM 1288 CB TRP A 82 17.448 2.203 10.752 1.00 0.00 C ATOM 1289 CG TRP A 82 18.750 2.768 11.185 1.00 0.00 C ATOM 1290 CD1 TRP A 82 19.859 2.158 11.630 1.00 0.00 C ATOM 1291 CD2 TRP A 82 19.020 4.172 11.191 1.00 0.00 C ATOM 1292 NE1 TRP A 82 20.780 3.142 11.901 1.00 0.00 N ATOM 1293 CE2 TRP A 82 20.340 4.403 11.660 1.00 0.00 C ATOM 1294 CE3 TRP A 82 18.294 5.318 10.854 1.00 0.00 C ATOM 1295 CZ2 TRP A 82 20.846 5.680 11.767 1.00 0.00 C ATOM 1296 CZ3 TRP A 82 18.784 6.587 10.971 1.00 0.00 C ATOM 1297 CH2 TRP A 82 20.078 6.772 11.430 1.00 0.00 C ATOM 0 H TRP A 82 17.578 -0.426 12.775 1.00 0.00 H new ATOM 0 HA TRP A 82 16.650 1.454 12.592 1.00 0.00 H new ATOM 0 HB2 TRP A 82 17.571 1.834 9.734 1.00 0.00 H new ATOM 0 HB3 TRP A 82 16.731 3.023 10.709 1.00 0.00 H new ATOM 0 HD1 TRP A 82 20.001 1.094 11.752 1.00 0.00 H new ATOM 0 HE1 TRP A 82 21.716 2.941 12.254 1.00 0.00 H new ATOM 0 HE3 TRP A 82 17.289 5.193 10.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 21.856 5.826 12.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 18.170 7.436 10.709 1.00 0.00 H new ATOM 0 HH2 TRP A 82 20.483 7.769 11.523 1.00 0.00 H new ATOM 1308 N THR A 83 14.551 0.077 11.385 1.00 0.00 N ATOM 1309 CA THR A 83 13.350 -0.276 10.605 1.00 0.00 C ATOM 1310 C THR A 83 12.401 0.891 10.857 1.00 0.00 C ATOM 1311 O THR A 83 12.693 1.803 11.587 1.00 0.00 O ATOM 1312 CB THR A 83 12.592 -1.537 11.028 1.00 0.00 C ATOM 1313 OG1 THR A 83 12.579 -1.532 12.427 1.00 0.00 O ATOM 1314 CG2 THR A 83 13.238 -2.846 10.545 1.00 0.00 C ATOM 0 H THR A 83 14.516 -0.183 12.371 1.00 0.00 H new ATOM 0 HA THR A 83 13.670 -0.467 9.581 1.00 0.00 H new ATOM 0 HB THR A 83 11.599 -1.511 10.579 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.101 -2.323 12.753 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.642 -3.693 10.885 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.284 -2.849 9.456 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.246 -2.926 10.951 1.00 0.00 H new ATOM 1322 N MET A 84 11.235 0.898 10.273 1.00 0.00 N ATOM 1323 CA MET A 84 10.227 1.955 10.481 1.00 0.00 C ATOM 1324 C MET A 84 9.027 1.140 10.954 1.00 0.00 C ATOM 1325 O MET A 84 9.293 0.125 11.611 1.00 0.00 O ATOM 1326 CB MET A 84 9.941 2.604 9.126 1.00 0.00 C ATOM 1327 CG MET A 84 9.360 1.666 8.054 1.00 0.00 C ATOM 1328 SD MET A 84 8.089 2.374 6.974 1.00 0.00 S ATOM 1329 CE MET A 84 7.400 0.813 6.346 1.00 0.00 C ATOM 0 H MET A 84 10.933 0.169 9.626 1.00 0.00 H new ATOM 0 HA MET A 84 10.507 2.751 11.171 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.246 3.430 9.277 1.00 0.00 H new ATOM 0 HB3 MET A 84 10.868 3.033 8.745 1.00 0.00 H new ATOM 0 HG2 MET A 84 10.180 1.310 7.430 1.00 0.00 H new ATOM 0 HG3 MET A 84 8.938 0.794 8.554 1.00 0.00 H new ATOM 0 HE1 MET A 84 7.490 0.786 5.260 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.948 -0.026 6.776 1.00 0.00 H new ATOM 0 HE3 MET A 84 6.349 0.741 6.625 1.00 0.00 H new ATOM 1339 N GLU A 85 7.806 1.505 10.662 1.00 0.00 N ATOM 1340 CA GLU A 85 6.682 0.678 11.124 1.00 0.00 C ATOM 1341 C GLU A 85 5.411 1.285 10.623 1.00 0.00 C ATOM 1342 O GLU A 85 4.482 1.525 11.416 1.00 0.00 O ATOM 1343 CB GLU A 85 6.603 0.583 12.646 1.00 0.00 C ATOM 1344 CG GLU A 85 5.541 -0.442 13.099 1.00 0.00 C ATOM 1345 CD GLU A 85 4.464 0.013 14.012 1.00 0.00 C ATOM 1346 OE1 GLU A 85 4.645 0.627 15.040 1.00 0.00 O ATOM 1347 OE2 GLU A 85 3.267 -0.308 13.602 1.00 0.00 O ATOM 0 H GLU A 85 7.552 2.335 10.127 1.00 0.00 H new ATOM 0 HA GLU A 85 6.835 -0.330 10.738 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.577 0.298 13.044 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.364 1.562 13.060 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.068 -0.847 12.204 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.062 -1.267 13.586 1.00 0.00 H new ATOM 1354 N GLY A 86 5.402 1.515 9.332 1.00 0.00 N ATOM 1355 CA GLY A 86 4.236 2.098 8.740 1.00 0.00 C ATOM 1356 C GLY A 86 4.407 3.563 9.107 1.00 0.00 C ATOM 1357 O GLY A 86 5.174 4.222 8.449 1.00 0.00 O ATOM 0 H GLY A 86 6.169 1.312 8.691 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.205 1.947 7.661 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.316 1.678 9.147 1.00 0.00 H new ATOM 1361 N ASN A 87 3.711 4.048 10.119 1.00 0.00 N ATOM 1362 CA ASN A 87 3.793 5.398 10.534 1.00 0.00 C ATOM 1363 C ASN A 87 5.071 5.879 11.162 1.00 0.00 C ATOM 1364 O ASN A 87 5.055 6.941 11.783 1.00 0.00 O ATOM 1365 CB ASN A 87 2.519 5.895 11.226 1.00 0.00 C ATOM 1366 CG ASN A 87 1.536 6.195 10.126 1.00 0.00 C ATOM 1367 OD1 ASN A 87 0.858 5.273 9.617 1.00 0.00 O ATOM 1368 ND2 ASN A 87 1.404 7.452 9.707 1.00 0.00 N ATOM 0 H ASN A 87 3.065 3.486 10.674 1.00 0.00 H new ATOM 0 HA ASN A 87 3.858 5.914 9.576 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.125 5.140 11.906 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.721 6.785 11.822 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.744 7.675 8.962 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.963 8.192 10.131 1.00 0.00 H new ATOM 1375 N LYS A 88 6.198 5.198 11.069 1.00 0.00 N ATOM 1376 CA LYS A 88 7.369 5.716 11.697 1.00 0.00 C ATOM 1377 C LYS A 88 8.593 4.795 11.571 1.00 0.00 C ATOM 1378 O LYS A 88 8.517 3.657 11.963 1.00 0.00 O ATOM 1379 CB LYS A 88 7.283 5.858 13.199 1.00 0.00 C ATOM 1380 CG LYS A 88 6.736 4.741 14.031 1.00 0.00 C ATOM 1381 CD LYS A 88 7.016 5.123 15.480 1.00 0.00 C ATOM 1382 CE LYS A 88 8.218 4.397 16.014 1.00 0.00 C ATOM 1383 NZ LYS A 88 7.858 3.238 16.820 1.00 0.00 N ATOM 0 H LYS A 88 6.314 4.312 10.577 1.00 0.00 H new ATOM 0 HA LYS A 88 7.459 6.671 11.179 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.289 6.068 13.562 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.678 6.741 13.406 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.667 4.614 13.860 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.214 3.795 13.777 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.178 6.199 15.550 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.146 4.891 16.094 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.844 4.076 15.181 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.815 5.083 16.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.722 2.773 17.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.283 3.544 17.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.312 2.569 16.241 1.00 0.00 H new ATOM 1397 N LEU A 89 9.662 5.392 11.034 1.00 0.00 N ATOM 1398 CA LEU A 89 10.984 4.863 10.844 1.00 0.00 C ATOM 1399 C LEU A 89 11.401 4.511 12.286 1.00 0.00 C ATOM 1400 O LEU A 89 10.656 4.573 13.241 1.00 0.00 O ATOM 1401 CB LEU A 89 11.926 5.992 10.325 1.00 0.00 C ATOM 1402 CG LEU A 89 12.457 5.917 8.912 1.00 0.00 C ATOM 1403 CD1 LEU A 89 11.851 7.006 8.013 1.00 0.00 C ATOM 1404 CD2 LEU A 89 13.988 6.112 8.947 1.00 0.00 C ATOM 0 H LEU A 89 9.599 6.351 10.694 1.00 0.00 H new ATOM 0 HA LEU A 89 11.028 4.033 10.138 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.392 6.937 10.425 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.784 6.038 10.996 1.00 0.00 H new ATOM 0 HG LEU A 89 12.186 4.944 8.502 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.260 6.916 7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.768 6.887 7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 89 12.095 7.989 8.417 1.00 0.00 H new ATOM 0 HD21 LEU A 89 14.385 6.060 7.933 1.00 0.00 H new ATOM 0 HD22 LEU A 89 14.221 7.085 9.378 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.441 5.328 9.554 1.00 0.00 H new ATOM 1416 N VAL A 90 12.653 4.157 12.402 1.00 0.00 N ATOM 1417 CA VAL A 90 13.260 3.855 13.661 1.00 0.00 C ATOM 1418 C VAL A 90 14.774 3.856 13.336 1.00 0.00 C ATOM 1419 O VAL A 90 15.144 2.990 12.558 1.00 0.00 O ATOM 1420 CB VAL A 90 12.893 2.492 14.235 1.00 0.00 C ATOM 1421 CG1 VAL A 90 13.127 2.495 15.743 1.00 0.00 C ATOM 1422 CG2 VAL A 90 11.440 2.127 14.083 1.00 0.00 C ATOM 0 H VAL A 90 13.287 4.070 11.607 1.00 0.00 H new ATOM 0 HA VAL A 90 12.931 4.573 14.412 1.00 0.00 H new ATOM 0 HB VAL A 90 13.511 1.784 13.682 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.865 1.520 16.154 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.177 2.704 15.948 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.507 3.263 16.206 1.00 0.00 H new ATOM 0 HG21 VAL A 90 11.265 1.143 14.518 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.824 2.865 14.596 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.178 2.108 13.025 1.00 0.00 H new ATOM 1432 N GLY A 91 15.464 4.828 13.910 1.00 0.00 N ATOM 1433 CA GLY A 91 16.863 4.942 13.634 1.00 0.00 C ATOM 1434 C GLY A 91 17.680 3.870 14.348 1.00 0.00 C ATOM 1435 O GLY A 91 18.853 3.709 14.044 1.00 0.00 O ATOM 0 H GLY A 91 15.082 5.524 14.550 1.00 0.00 H new ATOM 0 HA2 GLY A 91 17.027 4.866 12.559 1.00 0.00 H new ATOM 0 HA3 GLY A 91 17.213 5.928 13.941 1.00 0.00 H new ATOM 1439 N LYS A 92 16.975 3.215 15.217 1.00 0.00 N ATOM 1440 CA LYS A 92 17.449 2.105 16.002 1.00 0.00 C ATOM 1441 C LYS A 92 18.832 2.293 16.504 1.00 0.00 C ATOM 1442 O LYS A 92 19.183 3.449 16.708 1.00 0.00 O ATOM 1443 CB LYS A 92 17.223 0.803 15.268 1.00 0.00 C ATOM 1444 CG LYS A 92 15.723 0.511 15.411 1.00 0.00 C ATOM 1445 CD LYS A 92 15.491 0.064 16.852 1.00 0.00 C ATOM 1446 CE LYS A 92 14.396 -0.953 16.953 1.00 0.00 C ATOM 1447 NZ LYS A 92 13.508 -0.696 18.103 1.00 0.00 N ATOM 0 H LYS A 92 16.001 3.448 15.412 1.00 0.00 H new ATOM 0 HA LYS A 92 16.852 2.057 16.913 1.00 0.00 H new ATOM 0 HB2 LYS A 92 17.509 0.888 14.220 1.00 0.00 H new ATOM 0 HB3 LYS A 92 17.822 0.000 15.698 1.00 0.00 H new ATOM 0 HG2 LYS A 92 15.134 1.399 15.183 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.413 -0.265 14.712 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.413 -0.355 17.255 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.240 0.930 17.464 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.810 -0.947 16.034 1.00 0.00 H new ATOM 0 HE3 LYS A 92 14.832 -1.947 17.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.764 -1.422 18.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 14.062 -0.727 18.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.071 0.242 18.001 1.00 0.00 H new ATOM 1461 N PHE A 93 19.589 1.209 16.736 1.00 0.00 N ATOM 1462 CA PHE A 93 20.906 1.376 17.338 1.00 0.00 C ATOM 1463 C PHE A 93 21.487 0.079 17.916 1.00 0.00 C ATOM 1464 O PHE A 93 21.027 -1.012 17.589 1.00 0.00 O ATOM 1465 CB PHE A 93 20.527 2.092 18.678 1.00 0.00 C ATOM 1466 CG PHE A 93 19.225 1.570 19.208 1.00 0.00 C ATOM 1467 CD1 PHE A 93 19.266 0.222 19.630 1.00 0.00 C ATOM 1468 CD2 PHE A 93 18.024 2.207 19.320 1.00 0.00 C ATOM 1469 CE1 PHE A 93 18.184 -0.441 20.123 1.00 0.00 C ATOM 1470 CE2 PHE A 93 16.906 1.558 19.855 1.00 0.00 C ATOM 1471 CZ PHE A 93 16.972 0.216 20.250 1.00 0.00 C ATOM 0 H PHE A 93 19.321 0.248 16.524 1.00 0.00 H new ATOM 0 HA PHE A 93 21.586 1.822 16.612 1.00 0.00 H new ATOM 0 HB2 PHE A 93 21.314 1.935 19.415 1.00 0.00 H new ATOM 0 HB3 PHE A 93 20.454 3.167 18.514 1.00 0.00 H new ATOM 0 HD1 PHE A 93 20.203 -0.309 19.558 1.00 0.00 H new ATOM 0 HD2 PHE A 93 17.935 3.231 18.990 1.00 0.00 H new ATOM 0 HE1 PHE A 93 18.271 -1.477 20.414 1.00 0.00 H new ATOM 0 HE2 PHE A 93 15.978 2.100 19.965 1.00 0.00 H new ATOM 0 HZ PHE A 93 16.103 -0.291 20.642 1.00 0.00 H new ATOM 1481 N LYS A 94 22.401 0.458 18.774 1.00 0.00 N ATOM 1482 CA LYS A 94 23.241 -0.261 19.719 1.00 0.00 C ATOM 1483 C LYS A 94 24.615 -0.157 19.180 1.00 0.00 C ATOM 1484 O LYS A 94 25.210 -1.164 18.882 1.00 0.00 O ATOM 1485 CB LYS A 94 22.858 -1.682 19.970 1.00 0.00 C ATOM 1486 CG LYS A 94 21.993 -1.415 21.200 1.00 0.00 C ATOM 1487 CD LYS A 94 21.211 -2.508 21.842 1.00 0.00 C ATOM 1488 CE LYS A 94 19.941 -2.071 22.531 1.00 0.00 C ATOM 1489 NZ LYS A 94 20.130 -1.813 23.956 1.00 0.00 N ATOM 0 H LYS A 94 22.611 1.454 18.838 1.00 0.00 H new ATOM 0 HA LYS A 94 23.131 0.190 20.705 1.00 0.00 H new ATOM 0 HB2 LYS A 94 22.307 -2.133 19.145 1.00 0.00 H new ATOM 0 HB3 LYS A 94 23.711 -2.329 20.175 1.00 0.00 H new ATOM 0 HG2 LYS A 94 22.648 -0.999 21.966 1.00 0.00 H new ATOM 0 HG3 LYS A 94 21.284 -0.633 20.928 1.00 0.00 H new ATOM 0 HD2 LYS A 94 20.957 -3.246 21.081 1.00 0.00 H new ATOM 0 HD3 LYS A 94 21.848 -3.008 22.572 1.00 0.00 H new ATOM 0 HE2 LYS A 94 19.564 -1.168 22.050 1.00 0.00 H new ATOM 0 HE3 LYS A 94 19.180 -2.841 22.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 19.227 -1.517 24.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 20.463 -2.680 24.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 20.835 -1.059 24.082 1.00 0.00 H new ATOM 1503 N ARG A 95 25.010 1.101 19.086 1.00 0.00 N ATOM 1504 CA ARG A 95 26.284 1.509 18.592 1.00 0.00 C ATOM 1505 C ARG A 95 27.307 0.494 19.144 1.00 0.00 C ATOM 1506 O ARG A 95 27.659 -0.375 18.395 1.00 0.00 O ATOM 1507 CB ARG A 95 26.704 2.909 19.086 1.00 0.00 C ATOM 1508 CG ARG A 95 25.738 3.597 20.006 1.00 0.00 C ATOM 1509 CD ARG A 95 24.716 4.419 19.207 1.00 0.00 C ATOM 1510 NE ARG A 95 25.346 5.014 18.056 1.00 0.00 N ATOM 1511 CZ ARG A 95 26.470 5.740 17.984 1.00 0.00 C ATOM 1512 NH1 ARG A 95 27.232 6.065 19.003 1.00 0.00 N ATOM 1513 NH2 ARG A 95 26.864 6.177 16.770 1.00 0.00 N ATOM 0 H ARG A 95 24.419 1.884 19.366 1.00 0.00 H new ATOM 0 HA ARG A 95 26.240 1.548 17.504 1.00 0.00 H new ATOM 0 HB2 ARG A 95 27.662 2.820 19.598 1.00 0.00 H new ATOM 0 HB3 ARG A 95 26.865 3.547 18.217 1.00 0.00 H new ATOM 0 HG2 ARG A 95 25.220 2.857 20.616 1.00 0.00 H new ATOM 0 HG3 ARG A 95 26.281 4.249 20.690 1.00 0.00 H new ATOM 0 HD2 ARG A 95 23.892 3.779 18.890 1.00 0.00 H new ATOM 0 HD3 ARG A 95 24.290 5.197 19.840 1.00 0.00 H new ATOM 0 HE ARG A 95 24.868 4.861 17.168 1.00 0.00 H new ATOM 0 HH11 ARG A 95 26.983 5.759 19.944 1.00 0.00 H new ATOM 0 HH12 ARG A 95 28.073 6.623 18.854 1.00 0.00 H new ATOM 0 HH21 ARG A 95 26.311 5.952 15.943 1.00 0.00 H new ATOM 0 HH22 ARG A 95 27.715 6.732 16.679 1.00 0.00 H new ATOM 1527 N VAL A 96 27.687 0.664 20.349 1.00 0.00 N ATOM 1528 CA VAL A 96 28.701 -0.150 20.941 1.00 0.00 C ATOM 1529 C VAL A 96 29.280 0.621 22.150 1.00 0.00 C ATOM 1530 O VAL A 96 29.344 -0.002 23.188 1.00 0.00 O ATOM 1531 CB VAL A 96 29.844 -0.271 19.945 1.00 0.00 C ATOM 1532 CG1 VAL A 96 31.201 0.008 20.564 1.00 0.00 C ATOM 1533 CG2 VAL A 96 29.843 -1.633 19.250 1.00 0.00 C ATOM 0 H VAL A 96 27.306 1.378 20.970 1.00 0.00 H new ATOM 0 HA VAL A 96 28.293 -1.120 21.223 1.00 0.00 H new ATOM 0 HB VAL A 96 29.669 0.501 19.196 1.00 0.00 H new ATOM 0 HG11 VAL A 96 31.976 -0.094 19.804 1.00 0.00 H new ATOM 0 HG12 VAL A 96 31.217 1.022 20.964 1.00 0.00 H new ATOM 0 HG13 VAL A 96 31.387 -0.703 21.369 1.00 0.00 H new ATOM 0 HG21 VAL A 96 30.673 -1.683 18.546 1.00 0.00 H new ATOM 0 HG22 VAL A 96 29.951 -2.422 19.995 1.00 0.00 H new ATOM 0 HG23 VAL A 96 28.904 -1.767 18.713 1.00 0.00 H new ATOM 1543 N ASP A 97 29.627 1.867 21.899 1.00 0.00 N ATOM 1544 CA ASP A 97 30.178 2.738 23.005 1.00 0.00 C ATOM 1545 C ASP A 97 29.404 2.484 24.293 1.00 0.00 C ATOM 1546 O ASP A 97 29.903 2.516 25.437 1.00 0.00 O ATOM 1547 CB ASP A 97 30.159 4.198 22.590 1.00 0.00 C ATOM 1548 CG ASP A 97 30.542 5.166 23.702 1.00 0.00 C ATOM 1549 OD1 ASP A 97 29.538 5.444 24.473 1.00 0.00 O ATOM 1550 OD2 ASP A 97 31.644 5.666 23.909 1.00 0.00 O ATOM 0 H ASP A 97 29.555 2.318 20.987 1.00 0.00 H new ATOM 0 HA ASP A 97 31.220 2.480 23.193 1.00 0.00 H new ATOM 0 HB2 ASP A 97 30.843 4.335 21.752 1.00 0.00 H new ATOM 0 HB3 ASP A 97 29.161 4.450 22.232 1.00 0.00 H new ATOM 1555 N ASN A 98 28.127 2.197 24.048 1.00 0.00 N ATOM 1556 CA ASN A 98 27.138 1.865 25.064 1.00 0.00 C ATOM 1557 C ASN A 98 25.770 1.409 24.624 1.00 0.00 C ATOM 1558 O ASN A 98 24.754 1.524 25.287 1.00 0.00 O ATOM 1559 CB ASN A 98 27.225 2.876 26.221 1.00 0.00 C ATOM 1560 CG ASN A 98 26.030 3.030 27.163 1.00 0.00 C ATOM 1561 OD1 ASN A 98 25.169 3.957 27.013 1.00 0.00 O ATOM 1562 ND2 ASN A 98 26.004 2.124 28.109 1.00 0.00 N ATOM 0 H ASN A 98 27.742 2.190 23.103 1.00 0.00 H new ATOM 0 HA ASN A 98 27.425 0.891 25.461 1.00 0.00 H new ATOM 0 HB2 ASN A 98 28.090 2.608 26.828 1.00 0.00 H new ATOM 0 HB3 ASN A 98 27.431 3.855 25.788 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.252 2.128 28.798 1.00 0.00 H new ATOM 0 HD22 ASN A 98 26.736 1.415 28.156 1.00 0.00 H new ATOM 1569 N GLY A 99 25.726 0.833 23.411 1.00 0.00 N ATOM 1570 CA GLY A 99 24.518 0.343 22.829 1.00 0.00 C ATOM 1571 C GLY A 99 23.288 1.277 22.986 1.00 0.00 C ATOM 1572 O GLY A 99 22.219 0.780 23.350 1.00 0.00 O ATOM 0 H GLY A 99 26.549 0.705 22.822 1.00 0.00 H new ATOM 0 HA2 GLY A 99 24.689 0.168 21.767 1.00 0.00 H new ATOM 0 HA3 GLY A 99 24.282 -0.622 23.277 1.00 0.00 H new ATOM 1576 N LYS A 100 23.532 2.554 22.708 1.00 0.00 N ATOM 1577 CA LYS A 100 22.532 3.624 22.767 1.00 0.00 C ATOM 1578 C LYS A 100 21.198 3.302 22.086 1.00 0.00 C ATOM 1579 O LYS A 100 20.916 2.221 21.634 1.00 0.00 O ATOM 1580 CB LYS A 100 23.077 4.873 22.083 1.00 0.00 C ATOM 1581 CG LYS A 100 23.528 5.957 23.063 1.00 0.00 C ATOM 1582 CD LYS A 100 24.800 5.376 23.691 1.00 0.00 C ATOM 1583 CE LYS A 100 25.745 6.335 24.340 1.00 0.00 C ATOM 1584 NZ LYS A 100 25.257 6.764 25.659 1.00 0.00 N ATOM 0 H LYS A 100 24.455 2.886 22.427 1.00 0.00 H new ATOM 0 HA LYS A 100 22.339 3.762 23.831 1.00 0.00 H new ATOM 0 HB2 LYS A 100 23.919 4.593 21.450 1.00 0.00 H new ATOM 0 HB3 LYS A 100 22.309 5.283 21.428 1.00 0.00 H new ATOM 0 HG2 LYS A 100 23.728 6.899 22.553 1.00 0.00 H new ATOM 0 HG3 LYS A 100 22.766 6.158 23.816 1.00 0.00 H new ATOM 0 HD2 LYS A 100 24.501 4.640 24.437 1.00 0.00 H new ATOM 0 HD3 LYS A 100 25.345 4.840 22.914 1.00 0.00 H new ATOM 0 HE2 LYS A 100 26.723 5.867 24.448 1.00 0.00 H new ATOM 0 HE3 LYS A 100 25.878 7.207 23.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 25.928 7.442 26.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 24.327 7.218 25.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 25.170 5.937 26.283 1.00 0.00 H new ATOM 1598 N GLU A 101 20.402 4.369 22.035 1.00 0.00 N ATOM 1599 CA GLU A 101 19.148 4.186 21.331 1.00 0.00 C ATOM 1600 C GLU A 101 18.728 5.462 20.564 1.00 0.00 C ATOM 1601 O GLU A 101 17.683 5.958 20.859 1.00 0.00 O ATOM 1602 CB GLU A 101 17.993 3.547 22.077 1.00 0.00 C ATOM 1603 CG GLU A 101 18.120 2.018 22.314 1.00 0.00 C ATOM 1604 CD GLU A 101 16.918 1.352 22.948 1.00 0.00 C ATOM 1605 OE1 GLU A 101 15.968 2.247 23.060 1.00 0.00 O ATOM 1606 OE2 GLU A 101 16.820 0.168 23.307 1.00 0.00 O ATOM 0 H GLU A 101 20.583 5.290 22.436 1.00 0.00 H new ATOM 0 HA GLU A 101 19.397 3.401 20.617 1.00 0.00 H new ATOM 0 HB2 GLU A 101 17.889 4.040 23.043 1.00 0.00 H new ATOM 0 HB3 GLU A 101 17.074 3.737 21.522 1.00 0.00 H new ATOM 0 HG2 GLU A 101 18.317 1.535 21.357 1.00 0.00 H new ATOM 0 HG3 GLU A 101 18.989 1.838 22.947 1.00 0.00 H new ATOM 1613 N LEU A 102 19.654 5.791 19.699 1.00 0.00 N ATOM 1614 CA LEU A 102 19.506 6.941 18.840 1.00 0.00 C ATOM 1615 C LEU A 102 18.041 6.765 18.380 1.00 0.00 C ATOM 1616 O LEU A 102 17.303 7.650 18.717 1.00 0.00 O ATOM 1617 CB LEU A 102 20.372 6.826 17.551 1.00 0.00 C ATOM 1618 CG LEU A 102 21.838 6.797 17.940 1.00 0.00 C ATOM 1619 CD1 LEU A 102 22.246 5.314 18.015 1.00 0.00 C ATOM 1620 CD2 LEU A 102 22.656 7.526 16.925 1.00 0.00 C ATOM 0 H LEU A 102 20.525 5.275 19.570 1.00 0.00 H new ATOM 0 HA LEU A 102 19.779 7.870 19.340 1.00 0.00 H new ATOM 0 HB2 LEU A 102 20.111 5.922 17.002 1.00 0.00 H new ATOM 0 HB3 LEU A 102 20.175 7.669 16.889 1.00 0.00 H new ATOM 0 HG LEU A 102 22.004 7.289 18.898 1.00 0.00 H new ATOM 0 HD11 LEU A 102 23.297 5.239 18.293 1.00 0.00 H new ATOM 0 HD12 LEU A 102 21.636 4.806 18.762 1.00 0.00 H new ATOM 0 HD13 LEU A 102 22.093 4.845 17.043 1.00 0.00 H new ATOM 0 HD21 LEU A 102 23.706 7.498 17.216 1.00 0.00 H new ATOM 0 HD22 LEU A 102 22.536 7.051 15.952 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.323 8.562 16.866 1.00 0.00 H new ATOM 1632 N ILE A 103 17.786 5.660 17.731 1.00 0.00 N ATOM 1633 CA ILE A 103 16.425 5.371 17.341 1.00 0.00 C ATOM 1634 C ILE A 103 15.954 6.308 16.252 1.00 0.00 C ATOM 1635 O ILE A 103 14.758 6.211 15.935 1.00 0.00 O ATOM 1636 CB ILE A 103 15.548 5.504 18.610 1.00 0.00 C ATOM 1637 CG1 ILE A 103 15.394 4.138 19.221 1.00 0.00 C ATOM 1638 CG2 ILE A 103 14.259 6.239 18.424 1.00 0.00 C ATOM 1639 CD1 ILE A 103 14.769 3.036 18.365 1.00 0.00 C ATOM 0 H ILE A 103 18.479 4.960 17.465 1.00 0.00 H new ATOM 0 HA ILE A 103 16.354 4.364 16.930 1.00 0.00 H new ATOM 0 HB ILE A 103 16.066 6.159 19.311 1.00 0.00 H new ATOM 0 HG12 ILE A 103 16.382 3.799 19.534 1.00 0.00 H new ATOM 0 HG13 ILE A 103 14.792 4.242 20.124 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.721 6.276 19.371 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.465 7.254 18.084 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.650 5.724 17.681 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.724 2.111 18.939 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.761 3.330 18.072 1.00 0.00 H new ATOM 0 HD13 ILE A 103 15.375 2.880 17.473 1.00 0.00 H new ATOM 1651 N ALA A 104 16.790 7.136 15.671 1.00 0.00 N ATOM 1652 CA ALA A 104 16.502 8.058 14.601 1.00 0.00 C ATOM 1653 C ALA A 104 15.306 7.632 13.812 1.00 0.00 C ATOM 1654 O ALA A 104 15.355 7.083 12.707 1.00 0.00 O ATOM 1655 CB ALA A 104 17.689 8.277 13.639 1.00 0.00 C ATOM 0 H ALA A 104 17.767 7.185 15.959 1.00 0.00 H new ATOM 0 HA ALA A 104 16.297 9.007 15.097 1.00 0.00 H new ATOM 0 HB1 ALA A 104 17.400 8.982 12.859 1.00 0.00 H new ATOM 0 HB2 ALA A 104 18.538 8.677 14.194 1.00 0.00 H new ATOM 0 HB3 ALA A 104 17.968 7.327 13.184 1.00 0.00 H new ATOM 1661 N VAL A 105 14.118 7.873 14.343 1.00 0.00 N ATOM 1662 CA VAL A 105 12.857 7.539 13.738 1.00 0.00 C ATOM 1663 C VAL A 105 12.303 8.802 13.089 1.00 0.00 C ATOM 1664 O VAL A 105 11.911 9.729 13.769 1.00 0.00 O ATOM 1665 CB VAL A 105 11.765 7.037 14.708 1.00 0.00 C ATOM 1666 CG1 VAL A 105 11.782 7.699 16.083 1.00 0.00 C ATOM 1667 CG2 VAL A 105 10.365 7.195 14.099 1.00 0.00 C ATOM 0 H VAL A 105 14.012 8.328 15.250 1.00 0.00 H new ATOM 0 HA VAL A 105 13.072 6.723 13.047 1.00 0.00 H new ATOM 0 HB VAL A 105 12.002 5.984 14.859 1.00 0.00 H new ATOM 0 HG11 VAL A 105 10.982 7.285 16.696 1.00 0.00 H new ATOM 0 HG12 VAL A 105 12.742 7.512 16.565 1.00 0.00 H new ATOM 0 HG13 VAL A 105 11.635 8.773 15.971 1.00 0.00 H new ATOM 0 HG21 VAL A 105 9.618 6.833 14.805 1.00 0.00 H new ATOM 0 HG22 VAL A 105 10.179 8.247 13.882 1.00 0.00 H new ATOM 0 HG23 VAL A 105 10.302 6.617 13.177 1.00 0.00 H new ATOM 1677 N ARG A 106 12.220 8.896 11.771 1.00 0.00 N ATOM 1678 CA ARG A 106 11.752 10.016 11.008 1.00 0.00 C ATOM 1679 C ARG A 106 10.247 10.070 11.296 1.00 0.00 C ATOM 1680 O ARG A 106 9.731 11.120 11.015 1.00 0.00 O ATOM 1681 CB ARG A 106 11.851 9.730 9.537 1.00 0.00 C ATOM 1682 CG ARG A 106 12.648 10.842 8.875 1.00 0.00 C ATOM 1683 CD ARG A 106 14.048 10.524 8.446 1.00 0.00 C ATOM 1684 NE ARG A 106 14.967 10.664 9.575 1.00 0.00 N ATOM 1685 CZ ARG A 106 16.045 9.942 9.822 1.00 0.00 C ATOM 1686 NH1 ARG A 106 16.429 8.955 9.033 1.00 0.00 N ATOM 1687 NH2 ARG A 106 16.787 10.191 10.887 1.00 0.00 N ATOM 0 H ARG A 106 12.504 8.122 11.170 1.00 0.00 H new ATOM 0 HA ARG A 106 12.317 10.914 11.257 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.336 8.768 9.371 1.00 0.00 H new ATOM 0 HB3 ARG A 106 10.856 9.665 9.097 1.00 0.00 H new ATOM 0 HG2 ARG A 106 12.095 11.177 7.998 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.690 11.684 9.566 1.00 0.00 H new ATOM 0 HD2 ARG A 106 14.094 9.508 8.054 1.00 0.00 H new ATOM 0 HD3 ARG A 106 14.349 11.191 7.638 1.00 0.00 H new ATOM 0 HE ARG A 106 14.751 11.401 10.246 1.00 0.00 H new ATOM 0 HH11 ARG A 106 15.887 8.728 8.199 1.00 0.00 H new ATOM 0 HH12 ARG A 106 17.268 8.420 9.257 1.00 0.00 H new ATOM 0 HH21 ARG A 106 16.528 10.945 11.524 1.00 0.00 H new ATOM 0 HH22 ARG A 106 17.618 9.630 11.072 1.00 0.00 H new ATOM 1701 N GLU A 107 9.766 8.969 11.794 1.00 0.00 N ATOM 1702 CA GLU A 107 8.399 8.753 12.162 1.00 0.00 C ATOM 1703 C GLU A 107 7.454 9.204 11.020 1.00 0.00 C ATOM 1704 O GLU A 107 6.739 8.463 10.369 1.00 0.00 O ATOM 1705 CB GLU A 107 8.070 9.672 13.368 1.00 0.00 C ATOM 1706 CG GLU A 107 8.113 8.948 14.722 1.00 0.00 C ATOM 1707 CD GLU A 107 7.008 9.257 15.751 1.00 0.00 C ATOM 1708 OE1 GLU A 107 5.855 9.629 15.266 1.00 0.00 O ATOM 1709 OE2 GLU A 107 7.184 9.165 16.954 1.00 0.00 O ATOM 0 H GLU A 107 10.352 8.151 11.964 1.00 0.00 H new ATOM 0 HA GLU A 107 8.263 7.694 12.384 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.777 10.501 13.386 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.078 10.102 13.227 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.095 7.876 14.526 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.073 9.171 15.188 1.00 0.00 H new ATOM 1716 N ILE A 108 7.493 10.514 10.854 1.00 0.00 N ATOM 1717 CA ILE A 108 6.702 11.294 9.901 1.00 0.00 C ATOM 1718 C ILE A 108 5.265 11.338 10.385 1.00 0.00 C ATOM 1719 O ILE A 108 4.727 10.363 10.881 1.00 0.00 O ATOM 1720 CB ILE A 108 6.824 10.730 8.503 1.00 0.00 C ATOM 1721 CG1 ILE A 108 6.556 11.917 7.587 1.00 0.00 C ATOM 1722 CG2 ILE A 108 5.835 9.644 8.137 1.00 0.00 C ATOM 1723 CD1 ILE A 108 6.974 11.507 6.203 1.00 0.00 C ATOM 0 H ILE A 108 8.112 11.103 11.411 1.00 0.00 H new ATOM 0 HA ILE A 108 7.082 12.314 9.848 1.00 0.00 H new ATOM 0 HB ILE A 108 7.804 10.262 8.416 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.501 12.189 7.607 1.00 0.00 H new ATOM 0 HG13 ILE A 108 7.116 12.792 7.916 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.017 9.316 7.113 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.955 8.799 8.815 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.820 10.034 8.218 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.799 12.331 5.511 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.034 11.253 6.203 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.393 10.640 5.889 1.00 0.00 H new ATOM 1735 N SER A 109 4.664 12.521 10.252 1.00 0.00 N ATOM 1736 CA SER A 109 3.309 12.656 10.714 1.00 0.00 C ATOM 1737 C SER A 109 2.857 14.042 10.462 1.00 0.00 C ATOM 1738 O SER A 109 3.259 15.041 11.009 1.00 0.00 O ATOM 1739 CB SER A 109 3.220 12.361 12.208 1.00 0.00 C ATOM 1740 OG SER A 109 2.017 12.876 12.730 1.00 0.00 O ATOM 0 H SER A 109 5.082 13.358 9.845 1.00 0.00 H new ATOM 0 HA SER A 109 2.677 11.946 10.181 1.00 0.00 H new ATOM 0 HB2 SER A 109 3.269 11.285 12.378 1.00 0.00 H new ATOM 0 HB3 SER A 109 4.070 12.805 12.726 1.00 0.00 H new ATOM 0 HG SER A 109 1.967 12.681 13.689 1.00 0.00 H new ATOM 1746 N GLY A 110 1.885 14.111 9.545 1.00 0.00 N ATOM 1747 CA GLY A 110 1.271 15.344 9.150 1.00 0.00 C ATOM 1748 C GLY A 110 2.302 16.163 8.417 1.00 0.00 C ATOM 1749 O GLY A 110 2.542 17.301 8.802 1.00 0.00 O ATOM 0 H GLY A 110 1.512 13.293 9.063 1.00 0.00 H new ATOM 0 HA2 GLY A 110 0.410 15.153 8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.905 15.884 10.023 1.00 0.00 H new ATOM 1753 N ASN A 111 2.868 15.557 7.396 1.00 0.00 N ATOM 1754 CA ASN A 111 3.858 16.310 6.672 1.00 0.00 C ATOM 1755 C ASN A 111 5.003 16.701 7.625 1.00 0.00 C ATOM 1756 O ASN A 111 5.157 17.864 7.931 1.00 0.00 O ATOM 1757 CB ASN A 111 3.335 17.503 5.829 1.00 0.00 C ATOM 1758 CG ASN A 111 2.310 17.153 4.770 1.00 0.00 C ATOM 1759 OD1 ASN A 111 2.134 15.862 4.500 1.00 0.00 O flip ATOM 1760 ND2 ASN A 111 1.672 18.040 4.187 1.00 0.00 N flip ATOM 0 H ASN A 111 2.676 14.611 7.067 1.00 0.00 H new ATOM 0 HA ASN A 111 4.235 15.642 5.898 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.898 18.238 6.504 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.185 17.982 5.343 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.833 19.020 4.419 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.986 17.790 3.475 1.00 0.00 H new ATOM 1767 N GLU A 112 5.727 15.669 8.018 1.00 0.00 N ATOM 1768 CA GLU A 112 6.841 15.823 8.905 1.00 0.00 C ATOM 1769 C GLU A 112 8.018 14.910 8.463 1.00 0.00 C ATOM 1770 O GLU A 112 8.054 14.536 7.316 1.00 0.00 O ATOM 1771 CB GLU A 112 6.441 15.322 10.337 1.00 0.00 C ATOM 1772 CG GLU A 112 6.614 16.383 11.444 1.00 0.00 C ATOM 1773 CD GLU A 112 6.104 17.771 11.125 1.00 0.00 C ATOM 1774 OE1 GLU A 112 4.868 17.883 10.774 1.00 0.00 O ATOM 1775 OE2 GLU A 112 6.848 18.729 11.199 1.00 0.00 O ATOM 0 H GLU A 112 5.552 14.707 7.726 1.00 0.00 H new ATOM 0 HA GLU A 112 7.126 16.875 8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 112 5.401 14.996 10.319 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.044 14.449 10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.105 16.029 12.340 1.00 0.00 H new ATOM 0 HG3 GLU A 112 7.674 16.455 11.687 1.00 0.00 H new ATOM 1782 N LEU A 113 8.840 14.669 9.455 1.00 0.00 N ATOM 1783 CA LEU A 113 9.995 13.797 9.500 1.00 0.00 C ATOM 1784 C LEU A 113 10.537 14.110 10.923 1.00 0.00 C ATOM 1785 O LEU A 113 11.364 14.971 11.144 1.00 0.00 O ATOM 1786 CB LEU A 113 11.039 13.903 8.420 1.00 0.00 C ATOM 1787 CG LEU A 113 10.638 13.215 7.103 1.00 0.00 C ATOM 1788 CD1 LEU A 113 11.969 12.895 6.455 1.00 0.00 C ATOM 1789 CD2 LEU A 113 9.896 11.911 7.364 1.00 0.00 C ATOM 0 H LEU A 113 8.702 15.131 10.354 1.00 0.00 H new ATOM 0 HA LEU A 113 9.706 12.765 9.303 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.240 14.956 8.223 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.969 13.463 8.781 1.00 0.00 H new ATOM 0 HG LEU A 113 9.981 13.840 6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.799 12.398 5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.524 13.818 6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 113 12.543 12.239 7.109 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.626 11.449 6.414 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.538 11.234 7.927 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.992 12.115 7.938 1.00 0.00 H new ATOM 1801 N ILE A 114 9.976 13.374 11.811 1.00 0.00 N ATOM 1802 CA ILE A 114 10.192 13.509 13.199 1.00 0.00 C ATOM 1803 C ILE A 114 11.347 12.747 13.749 1.00 0.00 C ATOM 1804 O ILE A 114 11.208 12.343 14.924 1.00 0.00 O ATOM 1805 CB ILE A 114 8.919 13.026 13.915 1.00 0.00 C ATOM 1806 CG1 ILE A 114 7.640 12.865 13.093 1.00 0.00 C ATOM 1807 CG2 ILE A 114 8.811 13.823 15.193 1.00 0.00 C ATOM 1808 CD1 ILE A 114 6.429 13.699 13.496 1.00 0.00 C ATOM 0 H ILE A 114 9.323 12.626 11.575 1.00 0.00 H new ATOM 0 HA ILE A 114 10.426 14.560 13.369 1.00 0.00 H new ATOM 0 HB ILE A 114 9.035 11.966 14.141 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.877 13.098 12.055 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.350 11.815 13.126 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.919 13.516 15.739 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.693 13.645 15.808 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.743 14.885 14.955 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.598 13.481 12.826 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.144 13.455 14.519 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.679 14.758 13.431 1.00 0.00 H new ATOM 1820 N GLN A 115 12.357 12.637 12.932 1.00 0.00 N ATOM 1821 CA GLN A 115 13.654 12.058 13.179 1.00 0.00 C ATOM 1822 C GLN A 115 13.756 11.426 14.529 1.00 0.00 C ATOM 1823 O GLN A 115 14.318 10.321 14.614 1.00 0.00 O ATOM 1824 CB GLN A 115 14.565 13.284 12.972 1.00 0.00 C ATOM 1825 CG GLN A 115 14.498 13.788 11.537 1.00 0.00 C ATOM 1826 CD GLN A 115 15.852 13.530 10.924 1.00 0.00 C ATOM 1827 OE1 GLN A 115 15.926 13.000 9.811 1.00 0.00 O ATOM 1828 NE2 GLN A 115 16.943 13.882 11.582 1.00 0.00 N ATOM 0 H GLN A 115 12.287 12.986 11.976 1.00 0.00 H new ATOM 0 HA GLN A 115 13.914 11.220 12.532 1.00 0.00 H new ATOM 0 HB2 GLN A 115 14.267 14.081 13.654 1.00 0.00 H new ATOM 0 HB3 GLN A 115 15.593 13.021 13.220 1.00 0.00 H new ATOM 0 HG2 GLN A 115 13.716 13.270 10.981 1.00 0.00 H new ATOM 0 HG3 GLN A 115 14.257 14.851 11.511 1.00 0.00 H new ATOM 0 HE21 GLN A 115 16.866 14.319 12.500 1.00 0.00 H new ATOM 0 HE22 GLN A 115 17.862 13.717 11.171 1.00 0.00 H new ATOM 1837 N THR A 116 13.237 11.995 15.588 1.00 0.00 N ATOM 1838 CA THR A 116 13.161 11.466 16.936 1.00 0.00 C ATOM 1839 C THR A 116 14.205 10.469 17.276 1.00 0.00 C ATOM 1840 O THR A 116 13.830 9.325 17.547 1.00 0.00 O ATOM 1841 CB THR A 116 11.766 10.815 17.125 1.00 0.00 C ATOM 1842 OG1 THR A 116 10.736 11.810 17.141 1.00 0.00 O ATOM 1843 CG2 THR A 116 11.657 10.111 18.447 1.00 0.00 C ATOM 0 H THR A 116 12.818 12.923 15.528 1.00 0.00 H new ATOM 0 HA THR A 116 13.327 12.309 17.607 1.00 0.00 H new ATOM 0 HB THR A 116 11.650 10.118 16.295 1.00 0.00 H new ATOM 0 HG1 THR A 116 10.755 12.287 17.997 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.666 9.668 18.543 1.00 0.00 H new ATOM 0 HG22 THR A 116 12.412 9.327 18.505 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.814 10.826 19.254 1.00 0.00 H new ATOM 1851 N TYR A 117 15.484 10.845 17.306 1.00 0.00 N ATOM 1852 CA TYR A 117 16.421 9.869 17.746 1.00 0.00 C ATOM 1853 C TYR A 117 16.751 10.091 19.238 1.00 0.00 C ATOM 1854 O TYR A 117 17.512 11.008 19.600 1.00 0.00 O ATOM 1855 CB TYR A 117 17.771 9.914 17.033 1.00 0.00 C ATOM 1856 CG TYR A 117 18.092 10.480 15.669 1.00 0.00 C ATOM 1857 CD1 TYR A 117 17.264 11.177 14.822 1.00 0.00 C ATOM 1858 CD2 TYR A 117 19.399 10.246 15.194 1.00 0.00 C ATOM 1859 CE1 TYR A 117 17.732 11.597 13.570 1.00 0.00 C ATOM 1860 CE2 TYR A 117 19.873 10.665 13.954 1.00 0.00 C ATOM 1861 CZ TYR A 117 19.027 11.352 13.117 1.00 0.00 C ATOM 1862 OH TYR A 117 19.446 11.772 11.887 1.00 0.00 O ATOM 0 H TYR A 117 15.856 11.758 17.046 1.00 0.00 H new ATOM 0 HA TYR A 117 15.934 8.917 17.535 1.00 0.00 H new ATOM 0 HB2 TYR A 117 18.436 10.438 17.720 1.00 0.00 H new ATOM 0 HB3 TYR A 117 18.105 8.877 16.994 1.00 0.00 H new ATOM 0 HD1 TYR A 117 16.251 11.401 15.122 1.00 0.00 H new ATOM 0 HD2 TYR A 117 20.078 9.705 15.836 1.00 0.00 H new ATOM 0 HE1 TYR A 117 17.056 12.137 12.924 1.00 0.00 H new ATOM 0 HE2 TYR A 117 20.889 10.454 13.655 1.00 0.00 H new ATOM 0 HH TYR A 117 19.868 11.026 11.413 1.00 0.00 H new ATOM 1872 N THR A 118 16.152 9.220 20.040 1.00 0.00 N ATOM 1873 CA THR A 118 16.182 9.232 21.486 1.00 0.00 C ATOM 1874 C THR A 118 17.209 8.331 22.061 1.00 0.00 C ATOM 1875 O THR A 118 16.881 7.457 22.870 1.00 0.00 O ATOM 1876 CB THR A 118 14.836 8.896 22.174 1.00 0.00 C ATOM 1877 OG1 THR A 118 13.767 9.408 21.364 1.00 0.00 O ATOM 1878 CG2 THR A 118 14.787 9.463 23.552 1.00 0.00 C ATOM 0 H THR A 118 15.602 8.444 19.671 1.00 0.00 H new ATOM 0 HA THR A 118 16.428 10.273 21.695 1.00 0.00 H new ATOM 0 HB THR A 118 14.732 7.815 22.269 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.908 9.201 21.787 1.00 0.00 H new ATOM 0 HG21 THR A 118 13.832 9.214 24.014 1.00 0.00 H new ATOM 0 HG22 THR A 118 15.599 9.044 24.147 1.00 0.00 H new ATOM 0 HG23 THR A 118 14.895 10.547 23.504 1.00 0.00 H new ATOM 1886 N TYR A 119 18.501 8.509 21.732 1.00 0.00 N ATOM 1887 CA TYR A 119 19.571 7.764 22.303 1.00 0.00 C ATOM 1888 C TYR A 119 19.515 7.809 23.832 1.00 0.00 C ATOM 1889 O TYR A 119 20.119 8.611 24.493 1.00 0.00 O ATOM 1890 CB TYR A 119 20.972 8.221 21.802 1.00 0.00 C ATOM 1891 CG TYR A 119 21.370 9.529 22.370 1.00 0.00 C ATOM 1892 CD1 TYR A 119 20.735 10.723 22.143 1.00 0.00 C ATOM 1893 CD2 TYR A 119 22.490 9.537 23.232 1.00 0.00 C ATOM 1894 CE1 TYR A 119 21.178 11.893 22.733 1.00 0.00 C ATOM 1895 CE2 TYR A 119 22.958 10.677 23.841 1.00 0.00 C ATOM 1896 CZ TYR A 119 22.271 11.870 23.568 1.00 0.00 C ATOM 1897 OH TYR A 119 22.683 13.048 24.139 1.00 0.00 O ATOM 0 H TYR A 119 18.808 9.197 21.044 1.00 0.00 H new ATOM 0 HA TYR A 119 19.435 6.736 21.968 1.00 0.00 H new ATOM 0 HB2 TYR A 119 21.715 7.469 22.070 1.00 0.00 H new ATOM 0 HB3 TYR A 119 20.963 8.287 20.714 1.00 0.00 H new ATOM 0 HD1 TYR A 119 19.874 10.750 21.492 1.00 0.00 H new ATOM 0 HD2 TYR A 119 23.002 8.605 23.421 1.00 0.00 H new ATOM 0 HE1 TYR A 119 20.666 12.824 22.538 1.00 0.00 H new ATOM 0 HE2 TYR A 119 23.814 10.656 24.499 1.00 0.00 H new ATOM 0 HH TYR A 119 22.642 12.970 25.115 1.00 0.00 H new ATOM 1907 N GLU A 120 18.730 6.832 24.318 1.00 0.00 N ATOM 1908 CA GLU A 120 18.680 6.689 25.768 1.00 0.00 C ATOM 1909 C GLU A 120 18.279 7.850 26.601 1.00 0.00 C ATOM 1910 O GLU A 120 18.907 8.225 27.567 1.00 0.00 O ATOM 1911 CB GLU A 120 20.131 6.168 26.015 1.00 0.00 C ATOM 1912 CG GLU A 120 20.118 4.717 25.430 1.00 0.00 C ATOM 1913 CD GLU A 120 21.271 3.857 25.826 1.00 0.00 C ATOM 1914 OE1 GLU A 120 22.209 4.578 26.362 1.00 0.00 O ATOM 1915 OE2 GLU A 120 21.451 2.649 25.727 1.00 0.00 O ATOM 0 H GLU A 120 18.166 6.180 23.773 1.00 0.00 H new ATOM 0 HA GLU A 120 17.863 6.045 26.092 1.00 0.00 H new ATOM 0 HB2 GLU A 120 20.870 6.793 25.514 1.00 0.00 H new ATOM 0 HB3 GLU A 120 20.380 6.168 27.076 1.00 0.00 H new ATOM 0 HG2 GLU A 120 19.196 4.226 25.742 1.00 0.00 H new ATOM 0 HG3 GLU A 120 20.092 4.782 24.342 1.00 0.00 H new ATOM 1922 N GLY A 121 17.146 8.405 26.174 1.00 0.00 N ATOM 1923 CA GLY A 121 16.525 9.504 26.834 1.00 0.00 C ATOM 1924 C GLY A 121 16.644 10.933 26.343 1.00 0.00 C ATOM 1925 O GLY A 121 16.528 11.817 27.165 1.00 0.00 O ATOM 0 H GLY A 121 16.643 8.084 25.347 1.00 0.00 H new ATOM 0 HA2 GLY A 121 15.459 9.278 26.876 1.00 0.00 H new ATOM 0 HA3 GLY A 121 16.893 9.497 27.860 1.00 0.00 H new ATOM 1929 N VAL A 122 16.871 11.145 25.048 1.00 0.00 N ATOM 1930 CA VAL A 122 17.018 12.470 24.533 1.00 0.00 C ATOM 1931 C VAL A 122 15.971 12.720 23.414 1.00 0.00 C ATOM 1932 O VAL A 122 14.919 13.211 23.763 1.00 0.00 O ATOM 1933 CB VAL A 122 18.470 12.644 24.053 1.00 0.00 C ATOM 1934 CG1 VAL A 122 18.614 13.867 23.193 1.00 0.00 C ATOM 1935 CG2 VAL A 122 19.398 12.784 25.270 1.00 0.00 C ATOM 0 H VAL A 122 16.954 10.405 24.351 1.00 0.00 H new ATOM 0 HA VAL A 122 16.828 13.218 25.303 1.00 0.00 H new ATOM 0 HB VAL A 122 18.740 11.767 23.465 1.00 0.00 H new ATOM 0 HG11 VAL A 122 19.650 13.964 22.869 1.00 0.00 H new ATOM 0 HG12 VAL A 122 17.968 13.776 22.320 1.00 0.00 H new ATOM 0 HG13 VAL A 122 18.329 14.750 23.765 1.00 0.00 H new ATOM 0 HG21 VAL A 122 20.427 12.907 24.931 1.00 0.00 H new ATOM 0 HG22 VAL A 122 19.102 13.655 25.855 1.00 0.00 H new ATOM 0 HG23 VAL A 122 19.325 11.889 25.888 1.00 0.00 H new ATOM 1945 N GLU A 123 16.328 12.385 22.200 1.00 0.00 N ATOM 1946 CA GLU A 123 15.572 12.527 21.003 1.00 0.00 C ATOM 1947 C GLU A 123 16.121 13.741 20.286 1.00 0.00 C ATOM 1948 O GLU A 123 16.260 14.750 20.963 1.00 0.00 O ATOM 1949 CB GLU A 123 14.109 12.949 21.269 1.00 0.00 C ATOM 1950 CG GLU A 123 13.255 12.817 19.968 1.00 0.00 C ATOM 1951 CD GLU A 123 11.827 13.233 20.030 1.00 0.00 C ATOM 1952 OE1 GLU A 123 11.197 13.382 21.081 1.00 0.00 O ATOM 1953 OE2 GLU A 123 11.222 13.456 18.915 1.00 0.00 O ATOM 0 H GLU A 123 17.241 11.968 22.019 1.00 0.00 H new ATOM 0 HA GLU A 123 15.623 11.574 20.476 1.00 0.00 H new ATOM 0 HB2 GLU A 123 13.682 12.327 22.056 1.00 0.00 H new ATOM 0 HB3 GLU A 123 14.081 13.978 21.626 1.00 0.00 H new ATOM 0 HG2 GLU A 123 13.741 13.403 19.188 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.287 11.775 19.651 1.00 0.00 H new ATOM 1960 N ALA A 124 16.380 13.551 19.001 1.00 0.00 N ATOM 1961 CA ALA A 124 16.901 14.663 18.212 1.00 0.00 C ATOM 1962 C ALA A 124 16.182 14.656 16.867 1.00 0.00 C ATOM 1963 O ALA A 124 16.211 13.699 16.128 1.00 0.00 O ATOM 1964 CB ALA A 124 18.386 14.615 18.056 1.00 0.00 C ATOM 0 H ALA A 124 16.246 12.675 18.496 1.00 0.00 H new ATOM 0 HA ALA A 124 16.707 15.600 18.735 1.00 0.00 H new ATOM 0 HB1 ALA A 124 18.717 15.466 17.461 1.00 0.00 H new ATOM 0 HB2 ALA A 124 18.857 14.654 19.038 1.00 0.00 H new ATOM 0 HB3 ALA A 124 18.669 13.689 17.555 1.00 0.00 H new ATOM 1970 N LYS A 125 15.526 15.777 16.661 1.00 0.00 N ATOM 1971 CA LYS A 125 14.691 15.982 15.491 1.00 0.00 C ATOM 1972 C LYS A 125 14.515 17.451 15.357 1.00 0.00 C ATOM 1973 O LYS A 125 15.208 18.214 16.030 1.00 0.00 O ATOM 1974 CB LYS A 125 13.299 15.314 15.716 1.00 0.00 C ATOM 1975 CG LYS A 125 13.229 14.582 17.046 1.00 0.00 C ATOM 1976 CD LYS A 125 13.086 15.596 18.219 1.00 0.00 C ATOM 1977 CE LYS A 125 12.024 16.680 18.057 1.00 0.00 C ATOM 1978 NZ LYS A 125 11.966 17.523 19.260 1.00 0.00 N ATOM 0 H LYS A 125 15.554 16.573 17.298 1.00 0.00 H new ATOM 0 HA LYS A 125 15.143 15.547 14.599 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.521 16.076 15.680 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.097 14.614 14.905 1.00 0.00 H new ATOM 0 HG2 LYS A 125 12.383 13.895 17.046 1.00 0.00 H new ATOM 0 HG3 LYS A 125 14.127 13.981 17.185 1.00 0.00 H new ATOM 0 HD2 LYS A 125 12.867 15.037 19.128 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.050 16.082 18.369 1.00 0.00 H new ATOM 0 HE2 LYS A 125 12.251 17.294 17.185 1.00 0.00 H new ATOM 0 HE3 LYS A 125 11.051 16.222 17.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 11.239 18.256 19.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 11.728 16.936 20.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 12.890 17.974 19.412 1.00 0.00 H new ATOM 1992 N ARG A 126 13.587 17.860 14.540 1.00 0.00 N ATOM 1993 CA ARG A 126 13.102 19.220 14.250 1.00 0.00 C ATOM 1994 C ARG A 126 12.399 19.149 12.909 1.00 0.00 C ATOM 1995 O ARG A 126 11.420 19.834 12.830 1.00 0.00 O ATOM 1996 CB ARG A 126 13.986 20.387 14.467 1.00 0.00 C ATOM 1997 CG ARG A 126 14.127 20.732 15.924 1.00 0.00 C ATOM 1998 CD ARG A 126 13.247 21.935 16.199 1.00 0.00 C ATOM 1999 NE ARG A 126 14.135 23.041 16.562 1.00 0.00 N ATOM 2000 CZ ARG A 126 13.774 24.180 17.112 1.00 0.00 C ATOM 2001 NH1 ARG A 126 12.532 24.492 17.412 1.00 0.00 N ATOM 2002 NH2 ARG A 126 14.719 25.097 17.391 1.00 0.00 N ATOM 0 H ARG A 126 13.076 17.177 13.981 1.00 0.00 H new ATOM 0 HA ARG A 126 12.416 19.490 15.053 1.00 0.00 H new ATOM 0 HB2 ARG A 126 14.970 20.177 14.048 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.587 21.247 13.929 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.829 19.889 16.547 1.00 0.00 H new ATOM 0 HG3 ARG A 126 15.166 20.955 16.166 1.00 0.00 H new ATOM 0 HD2 ARG A 126 12.655 22.189 15.320 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.545 21.723 17.006 1.00 0.00 H new ATOM 0 HE ARG A 126 15.129 22.916 16.370 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.779 23.831 17.219 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.322 25.395 17.838 1.00 0.00 H new ATOM 0 HH21 ARG A 126 15.697 24.903 17.176 1.00 0.00 H new ATOM 0 HH22 ARG A 126 14.457 25.986 17.818 1.00 0.00 H new ATOM 2016 N ILE A 127 12.946 18.356 11.970 1.00 0.00 N ATOM 2017 CA ILE A 127 12.421 18.052 10.690 1.00 0.00 C ATOM 2018 C ILE A 127 13.045 18.559 9.473 1.00 0.00 C ATOM 2019 O ILE A 127 13.649 19.596 9.294 1.00 0.00 O ATOM 2020 CB ILE A 127 10.944 18.546 10.612 1.00 0.00 C ATOM 2021 CG1 ILE A 127 10.062 17.659 11.432 1.00 0.00 C ATOM 2022 CG2 ILE A 127 10.394 18.569 9.172 1.00 0.00 C ATOM 2023 CD1 ILE A 127 10.493 17.214 12.830 1.00 0.00 C ATOM 0 H ILE A 127 13.838 17.889 12.132 1.00 0.00 H new ATOM 0 HA ILE A 127 12.603 16.978 10.666 1.00 0.00 H new ATOM 0 HB ILE A 127 10.943 19.567 10.995 1.00 0.00 H new ATOM 0 HG12 ILE A 127 9.103 18.167 11.537 1.00 0.00 H new ATOM 0 HG13 ILE A 127 9.882 16.756 10.848 1.00 0.00 H new ATOM 0 HG21 ILE A 127 9.363 18.921 9.182 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.000 19.238 8.562 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.430 17.564 8.753 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.722 16.577 13.263 1.00 0.00 H new ATOM 0 HD12 ILE A 127 11.428 16.657 12.763 1.00 0.00 H new ATOM 0 HD13 ILE A 127 10.637 18.090 13.462 1.00 0.00 H new ATOM 2035 N PHE A 128 12.762 17.738 8.430 1.00 0.00 N ATOM 2036 CA PHE A 128 13.047 17.833 7.077 1.00 0.00 C ATOM 2037 C PHE A 128 12.922 19.219 6.435 1.00 0.00 C ATOM 2038 O PHE A 128 12.313 20.096 7.030 1.00 0.00 O ATOM 2039 CB PHE A 128 11.870 17.079 6.374 1.00 0.00 C ATOM 2040 CG PHE A 128 10.524 17.811 6.291 1.00 0.00 C ATOM 2041 CD1 PHE A 128 10.301 19.020 5.689 1.00 0.00 C ATOM 2042 CD2 PHE A 128 9.374 17.232 6.853 1.00 0.00 C ATOM 2043 CE1 PHE A 128 9.073 19.661 5.603 1.00 0.00 C ATOM 2044 CE2 PHE A 128 8.141 17.828 6.787 1.00 0.00 C ATOM 2045 CZ PHE A 128 7.962 19.064 6.155 1.00 0.00 C ATOM 0 H PHE A 128 12.247 16.876 8.611 1.00 0.00 H new ATOM 0 HA PHE A 128 14.074 17.483 6.970 1.00 0.00 H new ATOM 0 HB2 PHE A 128 12.184 16.832 5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 128 11.711 16.136 6.897 1.00 0.00 H new ATOM 0 HD1 PHE A 128 11.151 19.516 5.244 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.465 16.281 7.356 1.00 0.00 H new ATOM 0 HE1 PHE A 128 8.990 20.618 5.109 1.00 0.00 H new ATOM 0 HE2 PHE A 128 7.290 17.333 7.232 1.00 0.00 H new ATOM 0 HZ PHE A 128 6.990 19.531 6.102 1.00 0.00 H new ATOM 2055 N LYS A 129 13.463 19.236 5.215 1.00 0.00 N ATOM 2056 CA LYS A 129 13.444 20.309 4.285 1.00 0.00 C ATOM 2057 C LYS A 129 12.736 19.795 3.028 1.00 0.00 C ATOM 2058 O LYS A 129 12.862 20.520 2.080 1.00 0.00 O ATOM 2059 CB LYS A 129 14.596 21.199 3.988 1.00 0.00 C ATOM 2060 CG LYS A 129 15.455 21.580 5.166 1.00 0.00 C ATOM 2061 CD LYS A 129 16.813 22.128 4.714 1.00 0.00 C ATOM 2062 CE LYS A 129 17.812 21.111 4.176 1.00 0.00 C ATOM 2063 NZ LYS A 129 18.875 21.776 3.365 1.00 0.00 N ATOM 0 H LYS A 129 13.959 18.424 4.847 1.00 0.00 H new ATOM 0 HA LYS A 129 12.932 21.081 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 129 15.227 20.709 3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 129 14.216 22.112 3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.940 22.330 5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 129 15.606 20.710 5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 129 16.639 22.877 3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 129 17.271 22.643 5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 129 18.268 20.571 5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 129 17.291 20.374 3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 19.541 21.060 3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 18.439 22.271 2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 19.386 22.461 3.957 1.00 0.00 H new ATOM 2077 N LYS A 130 12.062 18.709 3.227 1.00 0.00 N ATOM 2078 CA LYS A 130 11.405 18.028 2.173 1.00 0.00 C ATOM 2079 C LYS A 130 11.525 18.693 0.823 1.00 0.00 C ATOM 2080 O LYS A 130 11.460 19.920 0.582 1.00 0.00 O ATOM 2081 CB LYS A 130 9.931 17.701 2.390 1.00 0.00 C ATOM 2082 CG LYS A 130 9.062 17.573 1.103 1.00 0.00 C ATOM 2083 CD LYS A 130 8.216 18.780 0.757 1.00 0.00 C ATOM 2084 CE LYS A 130 6.718 18.416 0.715 1.00 0.00 C ATOM 2085 NZ LYS A 130 5.875 19.589 0.441 1.00 0.00 N ATOM 0 H LYS A 130 11.954 18.269 4.141 1.00 0.00 H new ATOM 0 HA LYS A 130 11.965 17.093 2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 130 9.865 16.764 2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 130 9.497 18.476 3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 130 9.722 17.362 0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 130 8.404 16.712 1.216 1.00 0.00 H new ATOM 0 HD2 LYS A 130 8.381 19.567 1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 130 8.524 19.178 -0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 130 6.550 17.661 -0.053 1.00 0.00 H new ATOM 0 HE3 LYS A 130 6.425 17.973 1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 4.876 19.301 0.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 6.016 20.300 1.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 6.136 19.997 -0.479 1.00 0.00 H new ATOM 2099 N GLU A 131 11.613 17.728 -0.119 1.00 0.00 N ATOM 2100 CA GLU A 131 11.796 18.110 -1.560 1.00 0.00 C ATOM 2101 C GLU A 131 10.909 17.424 -2.558 1.00 0.00 C ATOM 2102 O GLU A 131 11.281 17.095 -3.687 1.00 0.00 O ATOM 2103 CB GLU A 131 13.320 18.221 -1.682 1.00 0.00 C ATOM 2104 CG GLU A 131 14.129 18.914 -2.785 1.00 0.00 C ATOM 2105 CD GLU A 131 14.199 20.448 -2.645 1.00 0.00 C ATOM 2106 OE1 GLU A 131 13.257 21.079 -2.038 1.00 0.00 O ATOM 2107 OE2 GLU A 131 15.196 21.096 -3.129 1.00 0.00 O ATOM 2108 OXT GLU A 131 10.006 18.451 -1.817 1.00 0.00 O ATOM 0 H GLU A 131 11.565 16.726 0.064 1.00 0.00 H new ATOM 0 HA GLU A 131 11.376 19.063 -1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 131 13.647 18.688 -0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 131 13.682 17.193 -1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 131 15.143 18.513 -2.784 1.00 0.00 H new ATOM 0 HG3 GLU A 131 13.690 18.668 -3.752 1.00 0.00 H new