USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 772 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 63 GLN : amide:sc= -2.97! C(o=-3.2!,f=-9.9!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= -0.194 USER MOD Set 2.1: A 70 THR OG1 : rot 137:sc= 0.842 USER MOD Set 2.2: A 84 HIS :FLIP no HE2:sc= -4.95! C(o=-6.8!,f=-4.1!) USER MOD Set 3.1: A 56 SER OG : rot 180:sc= 0.89 USER MOD Set 3.2: A 100 TYR OH : rot -45:sc= -2.32! USER MOD Single : A 17 ASN :FLIP amide:sc= -0.204 F(o=-0.83,f=-0.2) USER MOD Single : A 22 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.16) USER MOD Single : A 26 GLN : amide:sc= -1.25 X(o=-1.2,f=-1.4) USER MOD Single : A 32 TYR OH : rot 116:sc= -2.85! USER MOD Single : A 33 ASN : amide:sc= -4.41! C(o=-4.4!,f=-6.8!) USER MOD Single : A 36 SER OG : rot 152:sc= 0.282 USER MOD Single : A 37 ASN : amide:sc= -5.03! C(o=-5!,f=-5!) USER MOD Single : A 39 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00494) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -4.46! USER MOD Single : A 42 SER OG : rot 132:sc= 0.259 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.182) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.464 F(o=-1.2,f=-0.46) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 120:sc= -0.586 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00403) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -50:sc= -4.56! USER MOD Single : A 106 ASN :FLIP amide:sc= 0.663 F(o=-0.077,f=0.66) USER MOD Single : A 107 GLN : amide:sc= -0.0238 X(o=-0.024,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 54:sc= 0.0887 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 17 N PRO A 11 -8.437 9.387 14.943 1.00 0.00 N ATOM 18 CA PRO A 11 -7.640 8.275 14.347 1.00 0.00 C ATOM 19 C PRO A 11 -6.258 8.196 14.999 1.00 0.00 C ATOM 20 O PRO A 11 -5.764 9.161 15.549 1.00 0.00 O ATOM 21 CB PRO A 11 -7.528 8.679 12.884 1.00 0.00 C ATOM 22 CG PRO A 11 -7.708 10.194 12.822 1.00 0.00 C ATOM 23 CD PRO A 11 -8.396 10.635 14.118 1.00 0.00 C ATOM 0 HA PRO A 11 -8.093 7.293 14.486 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.559 8.389 12.477 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.288 8.176 12.286 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.743 10.690 12.713 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.309 10.473 11.956 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.838 11.427 14.618 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.397 11.022 13.928 1.00 0.00 H new ATOM 31 N VAL A 12 -5.628 7.056 14.941 1.00 0.00 N ATOM 32 CA VAL A 12 -4.291 6.908 15.547 1.00 0.00 C ATOM 33 C VAL A 12 -3.298 6.603 14.423 1.00 0.00 C ATOM 34 O VAL A 12 -3.594 5.811 13.556 1.00 0.00 O ATOM 35 CB VAL A 12 -4.341 5.723 16.519 1.00 0.00 C ATOM 36 CG1 VAL A 12 -2.923 5.325 16.902 1.00 0.00 C ATOM 37 CG2 VAL A 12 -5.142 6.073 17.786 1.00 0.00 C ATOM 0 H VAL A 12 -5.993 6.216 14.493 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.990 7.812 16.077 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.841 4.891 16.023 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.956 4.483 17.593 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.371 5.039 16.007 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.425 6.168 17.381 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.159 5.213 18.455 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.672 6.917 18.292 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.163 6.338 17.510 1.00 0.00 H new ATOM 47 N PRO A 13 -2.152 7.231 14.455 1.00 0.00 N ATOM 48 CA PRO A 13 -1.107 7.029 13.412 1.00 0.00 C ATOM 49 C PRO A 13 -0.334 5.738 13.671 1.00 0.00 C ATOM 50 O PRO A 13 -0.279 5.240 14.778 1.00 0.00 O ATOM 51 CB PRO A 13 -0.217 8.254 13.569 1.00 0.00 C ATOM 52 CG PRO A 13 -0.404 8.763 14.994 1.00 0.00 C ATOM 53 CD PRO A 13 -1.737 8.211 15.513 1.00 0.00 C ATOM 0 HA PRO A 13 -1.511 6.931 12.404 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.826 7.998 13.385 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.489 9.023 12.846 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.419 8.435 15.629 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.407 9.853 15.014 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.620 7.728 16.483 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.476 9.002 15.638 1.00 0.00 H new ATOM 61 N VAL A 14 0.252 5.191 12.647 1.00 0.00 N ATOM 62 CA VAL A 14 1.014 3.924 12.807 1.00 0.00 C ATOM 63 C VAL A 14 2.083 4.095 13.881 1.00 0.00 C ATOM 64 O VAL A 14 2.459 5.193 14.240 1.00 0.00 O ATOM 65 CB VAL A 14 1.668 3.548 11.467 1.00 0.00 C ATOM 66 CG1 VAL A 14 2.967 4.338 11.266 1.00 0.00 C ATOM 67 CG2 VAL A 14 1.972 2.051 11.448 1.00 0.00 C ATOM 0 H VAL A 14 0.236 5.569 11.700 1.00 0.00 H new ATOM 0 HA VAL A 14 0.335 3.128 13.111 1.00 0.00 H new ATOM 0 HB VAL A 14 0.979 3.793 10.659 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.418 4.061 10.313 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.747 5.406 11.266 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.660 4.110 12.075 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.435 1.786 10.498 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.652 1.808 12.264 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.045 1.490 11.569 1.00 0.00 H new ATOM 77 N ASP A 15 2.577 3.004 14.391 1.00 0.00 N ATOM 78 CA ASP A 15 3.633 3.075 15.445 1.00 0.00 C ATOM 79 C ASP A 15 4.107 1.667 15.799 1.00 0.00 C ATOM 80 O ASP A 15 3.527 0.680 15.394 1.00 0.00 O ATOM 81 CB ASP A 15 3.093 3.745 16.717 1.00 0.00 C ATOM 82 CG ASP A 15 1.579 3.954 16.620 1.00 0.00 C ATOM 83 OD1 ASP A 15 0.870 2.966 16.517 1.00 0.00 O ATOM 84 OD2 ASP A 15 1.155 5.098 16.650 1.00 0.00 O ATOM 0 H ASP A 15 2.296 2.060 14.124 1.00 0.00 H new ATOM 0 HA ASP A 15 4.461 3.665 15.053 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.325 3.128 17.585 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.588 4.704 16.867 1.00 0.00 H new ATOM 89 N GLU A 16 5.159 1.576 16.563 1.00 0.00 N ATOM 90 CA GLU A 16 5.693 0.241 16.967 1.00 0.00 C ATOM 91 C GLU A 16 5.642 -0.727 15.779 1.00 0.00 C ATOM 92 O GLU A 16 5.545 -1.924 15.953 1.00 0.00 O ATOM 93 CB GLU A 16 4.845 -0.319 18.111 1.00 0.00 C ATOM 94 CG GLU A 16 5.544 -0.044 19.444 1.00 0.00 C ATOM 95 CD GLU A 16 4.653 -0.518 20.595 1.00 0.00 C ATOM 96 OE1 GLU A 16 4.259 -1.672 20.577 1.00 0.00 O ATOM 97 OE2 GLU A 16 4.379 0.282 21.475 1.00 0.00 O ATOM 0 H GLU A 16 5.678 2.374 16.929 1.00 0.00 H new ATOM 0 HA GLU A 16 6.727 0.354 17.293 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.857 0.141 18.104 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.699 -1.391 17.979 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.504 -0.560 19.477 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.751 1.021 19.545 1.00 0.00 H new ATOM 104 N ASN A 17 5.703 -0.210 14.576 1.00 0.00 N ATOM 105 CA ASN A 17 5.656 -1.083 13.361 1.00 0.00 C ATOM 106 C ASN A 17 4.204 -1.375 12.987 1.00 0.00 C ATOM 107 O ASN A 17 3.866 -1.514 11.828 1.00 0.00 O ATOM 108 CB ASN A 17 6.397 -2.396 13.626 1.00 0.00 C ATOM 109 CG ASN A 17 7.087 -2.860 12.342 1.00 0.00 C ATOM 110 OD1 ASN A 17 7.766 -2.001 11.632 1.00 0.00 O flip ATOM 111 ND2 ASN A 17 7.010 -4.018 11.981 1.00 0.00 N flip ATOM 0 H ASN A 17 5.784 0.788 14.382 1.00 0.00 H new ATOM 0 HA ASN A 17 6.142 -0.563 12.535 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.133 -2.257 14.418 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.698 -3.157 13.971 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.480 -4.691 12.535 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.476 -4.317 11.124 1.00 0.00 H new ATOM 118 N ASP A 18 3.347 -1.464 13.959 1.00 0.00 N ATOM 119 CA ASP A 18 1.910 -1.743 13.679 1.00 0.00 C ATOM 120 C ASP A 18 1.797 -2.811 12.594 1.00 0.00 C ATOM 121 O ASP A 18 1.531 -2.523 11.444 1.00 0.00 O ATOM 122 CB ASP A 18 1.226 -0.459 13.209 1.00 0.00 C ATOM 123 CG ASP A 18 0.310 0.068 14.315 1.00 0.00 C ATOM 124 OD1 ASP A 18 0.034 -0.682 15.237 1.00 0.00 O ATOM 125 OD2 ASP A 18 -0.102 1.213 14.222 1.00 0.00 O ATOM 0 H ASP A 18 3.579 -1.355 14.946 1.00 0.00 H new ATOM 0 HA ASP A 18 1.426 -2.101 14.587 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.974 0.291 12.954 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.648 -0.653 12.305 1.00 0.00 H new ATOM 130 N GLU A 19 1.994 -4.047 12.955 1.00 0.00 N ATOM 131 CA GLU A 19 1.897 -5.141 11.948 1.00 0.00 C ATOM 132 C GLU A 19 0.609 -4.972 11.142 1.00 0.00 C ATOM 133 O GLU A 19 0.542 -5.322 9.980 1.00 0.00 O ATOM 134 CB GLU A 19 1.883 -6.495 12.661 1.00 0.00 C ATOM 135 CG GLU A 19 0.764 -6.512 13.705 1.00 0.00 C ATOM 136 CD GLU A 19 0.220 -7.936 13.847 1.00 0.00 C ATOM 137 OE1 GLU A 19 1.023 -8.849 13.927 1.00 0.00 O ATOM 138 OE2 GLU A 19 -0.990 -8.086 13.873 1.00 0.00 O ATOM 0 H GLU A 19 2.218 -4.348 13.903 1.00 0.00 H new ATOM 0 HA GLU A 19 2.755 -5.097 11.277 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.732 -7.297 11.938 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.845 -6.675 13.141 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.142 -6.158 14.664 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.036 -5.834 13.408 1.00 0.00 H new ATOM 145 N GLY A 20 -0.412 -4.431 11.745 1.00 0.00 N ATOM 146 CA GLY A 20 -1.691 -4.234 11.009 1.00 0.00 C ATOM 147 C GLY A 20 -1.475 -3.212 9.891 1.00 0.00 C ATOM 148 O GLY A 20 -1.866 -3.420 8.760 1.00 0.00 O ATOM 0 H GLY A 20 -0.416 -4.117 12.715 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.034 -5.181 10.592 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.467 -3.887 11.691 1.00 0.00 H new ATOM 152 N LEU A 21 -0.850 -2.107 10.200 1.00 0.00 N ATOM 153 CA LEU A 21 -0.604 -1.072 9.159 1.00 0.00 C ATOM 154 C LEU A 21 0.229 -1.675 8.029 1.00 0.00 C ATOM 155 O LEU A 21 -0.002 -1.406 6.869 1.00 0.00 O ATOM 156 CB LEU A 21 0.145 0.109 9.780 1.00 0.00 C ATOM 157 CG LEU A 21 0.219 1.264 8.777 1.00 0.00 C ATOM 158 CD1 LEU A 21 1.222 0.922 7.673 1.00 0.00 C ATOM 159 CD2 LEU A 21 -1.162 1.495 8.159 1.00 0.00 C ATOM 0 H LEU A 21 -0.500 -1.878 11.130 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.556 -0.724 8.759 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.362 0.436 10.688 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.150 -0.198 10.069 1.00 0.00 H new ATOM 0 HG LEU A 21 0.542 2.169 9.292 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.273 1.745 6.960 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.206 0.761 8.113 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.902 0.016 7.159 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.108 2.317 7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.487 0.590 7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.875 1.743 8.945 1.00 0.00 H new ATOM 171 N GLN A 22 1.196 -2.492 8.348 1.00 0.00 N ATOM 172 CA GLN A 22 2.025 -3.101 7.270 1.00 0.00 C ATOM 173 C GLN A 22 1.142 -3.982 6.393 1.00 0.00 C ATOM 174 O GLN A 22 1.288 -4.019 5.188 1.00 0.00 O ATOM 175 CB GLN A 22 3.145 -3.938 7.886 1.00 0.00 C ATOM 176 CG GLN A 22 4.229 -3.011 8.440 1.00 0.00 C ATOM 177 CD GLN A 22 5.509 -3.178 7.620 1.00 0.00 C ATOM 178 OE1 GLN A 22 6.140 -2.207 7.253 1.00 0.00 O ATOM 179 NE2 GLN A 22 5.921 -4.377 7.313 1.00 0.00 N ATOM 0 H GLN A 22 1.446 -2.762 9.299 1.00 0.00 H new ATOM 0 HA GLN A 22 2.468 -2.312 6.663 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.747 -4.567 8.683 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.570 -4.605 7.136 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.892 -1.975 8.401 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.422 -3.244 9.487 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.392 -5.193 7.621 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.773 -4.499 6.765 1.00 0.00 H new ATOM 188 N ARG A 23 0.215 -4.680 6.982 1.00 0.00 N ATOM 189 CA ARG A 23 -0.690 -5.541 6.173 1.00 0.00 C ATOM 190 C ARG A 23 -1.593 -4.640 5.333 1.00 0.00 C ATOM 191 O ARG A 23 -2.183 -5.062 4.357 1.00 0.00 O ATOM 192 CB ARG A 23 -1.545 -6.404 7.103 1.00 0.00 C ATOM 193 CG ARG A 23 -1.469 -7.865 6.656 1.00 0.00 C ATOM 194 CD ARG A 23 -2.883 -8.438 6.538 1.00 0.00 C ATOM 195 NE ARG A 23 -3.390 -8.791 7.894 1.00 0.00 N ATOM 196 CZ ARG A 23 -3.293 -10.017 8.328 1.00 0.00 C ATOM 197 NH1 ARG A 23 -3.947 -10.974 7.730 1.00 0.00 N ATOM 198 NH2 ARG A 23 -2.543 -10.286 9.361 1.00 0.00 N ATOM 0 H ARG A 23 0.044 -4.692 7.988 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.105 -6.193 5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.194 -6.308 8.130 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.579 -6.061 7.086 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.955 -7.937 5.697 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.889 -8.446 7.373 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.544 -7.709 6.069 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.877 -9.321 5.899 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.813 -8.074 8.483 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.534 -10.763 6.923 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.871 -11.933 8.069 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.032 -9.537 9.829 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.467 -11.245 9.700 1.00 0.00 H new ATOM 212 N ALA A 24 -1.699 -3.394 5.710 1.00 0.00 N ATOM 213 CA ALA A 24 -2.554 -2.445 4.946 1.00 0.00 C ATOM 214 C ALA A 24 -1.804 -1.979 3.703 1.00 0.00 C ATOM 215 O ALA A 24 -2.283 -2.097 2.588 1.00 0.00 O ATOM 216 CB ALA A 24 -2.880 -1.236 5.820 1.00 0.00 C ATOM 0 H ALA A 24 -1.226 -2.992 6.520 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.478 -2.943 4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.506 -0.541 5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.411 -1.565 6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.955 -0.738 6.111 1.00 0.00 H new ATOM 222 N LEU A 25 -0.632 -1.449 3.889 1.00 0.00 N ATOM 223 CA LEU A 25 0.162 -0.966 2.744 1.00 0.00 C ATOM 224 C LEU A 25 0.452 -2.123 1.793 1.00 0.00 C ATOM 225 O LEU A 25 0.466 -1.965 0.594 1.00 0.00 O ATOM 226 CB LEU A 25 1.459 -0.399 3.313 1.00 0.00 C ATOM 227 CG LEU A 25 2.440 -0.030 2.194 1.00 0.00 C ATOM 228 CD1 LEU A 25 3.113 -1.296 1.658 1.00 0.00 C ATOM 229 CD2 LEU A 25 1.693 0.671 1.062 1.00 0.00 C ATOM 0 H LEU A 25 -0.189 -1.331 4.800 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.375 -0.202 2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.240 0.483 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.919 -1.131 3.977 1.00 0.00 H new ATOM 0 HG LEU A 25 3.200 0.641 2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.809 -1.029 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.655 -1.789 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.354 -1.972 1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.395 0.931 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.927 0.005 0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.223 1.578 1.443 1.00 0.00 H new ATOM 241 N GLN A 26 0.695 -3.279 2.318 1.00 0.00 N ATOM 242 CA GLN A 26 1.001 -4.440 1.435 1.00 0.00 C ATOM 243 C GLN A 26 -0.271 -4.972 0.757 1.00 0.00 C ATOM 244 O GLN A 26 -0.215 -5.540 -0.316 1.00 0.00 O ATOM 245 CB GLN A 26 1.645 -5.555 2.262 1.00 0.00 C ATOM 246 CG GLN A 26 2.728 -6.245 1.432 1.00 0.00 C ATOM 247 CD GLN A 26 2.070 -7.128 0.370 1.00 0.00 C ATOM 248 OE1 GLN A 26 1.158 -7.874 0.664 1.00 0.00 O ATOM 249 NE2 GLN A 26 2.498 -7.075 -0.861 1.00 0.00 N ATOM 0 H GLN A 26 0.697 -3.478 3.318 1.00 0.00 H new ATOM 0 HA GLN A 26 1.689 -4.108 0.658 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.078 -5.143 3.173 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.889 -6.279 2.567 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.367 -5.501 0.957 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.367 -6.848 2.077 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.264 -6.448 -1.108 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.067 -7.660 -1.577 1.00 0.00 H new ATOM 258 N PHE A 27 -1.411 -4.797 1.362 1.00 0.00 N ATOM 259 CA PHE A 27 -2.675 -5.293 0.743 1.00 0.00 C ATOM 260 C PHE A 27 -3.007 -4.450 -0.482 1.00 0.00 C ATOM 261 O PHE A 27 -3.160 -4.944 -1.585 1.00 0.00 O ATOM 262 CB PHE A 27 -3.786 -5.143 1.767 1.00 0.00 C ATOM 263 CG PHE A 27 -5.064 -5.806 1.307 1.00 0.00 C ATOM 264 CD1 PHE A 27 -5.146 -6.414 0.048 1.00 0.00 C ATOM 265 CD2 PHE A 27 -6.182 -5.796 2.151 1.00 0.00 C ATOM 266 CE1 PHE A 27 -6.345 -7.010 -0.362 1.00 0.00 C ATOM 267 CE2 PHE A 27 -7.377 -6.390 1.742 1.00 0.00 C ATOM 268 CZ PHE A 27 -7.460 -6.996 0.486 1.00 0.00 C ATOM 0 H PHE A 27 -1.525 -4.330 2.262 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.566 -6.335 0.441 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.470 -5.580 2.714 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.971 -4.085 1.951 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.286 -6.423 -0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.119 -5.327 3.122 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.410 -7.480 -1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.237 -6.381 2.396 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.385 -7.454 0.168 1.00 0.00 H new ATOM 278 N ALA A 28 -3.111 -3.179 -0.282 1.00 0.00 N ATOM 279 CA ALA A 28 -3.434 -2.259 -1.405 1.00 0.00 C ATOM 280 C ALA A 28 -2.260 -2.183 -2.372 1.00 0.00 C ATOM 281 O ALA A 28 -2.423 -2.281 -3.572 1.00 0.00 O ATOM 282 CB ALA A 28 -3.710 -0.874 -0.836 1.00 0.00 C ATOM 0 H ALA A 28 -2.985 -2.725 0.623 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.309 -2.629 -1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.949 -0.188 -1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.552 -0.925 -0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.827 -0.516 -0.306 1.00 0.00 H new ATOM 288 N ILE A 29 -1.078 -2.002 -1.865 1.00 0.00 N ATOM 289 CA ILE A 29 0.100 -1.918 -2.763 1.00 0.00 C ATOM 290 C ILE A 29 0.212 -3.220 -3.549 1.00 0.00 C ATOM 291 O ILE A 29 0.540 -3.233 -4.723 1.00 0.00 O ATOM 292 CB ILE A 29 1.367 -1.691 -1.920 1.00 0.00 C ATOM 293 CG1 ILE A 29 2.447 -1.057 -2.783 1.00 0.00 C ATOM 294 CG2 ILE A 29 1.875 -3.013 -1.369 1.00 0.00 C ATOM 295 CD1 ILE A 29 1.813 0.083 -3.555 1.00 0.00 C ATOM 0 H ILE A 29 -0.876 -1.909 -0.869 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.012 -1.086 -3.458 1.00 0.00 H new ATOM 0 HB ILE A 29 1.123 -1.028 -1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.265 -0.690 -2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.870 -1.793 -3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.772 -2.839 -0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.106 -3.465 -0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.112 -3.684 -2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.565 0.559 -4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.008 -0.304 -4.180 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.409 0.815 -2.856 1.00 0.00 H new ATOM 307 N ALA A 30 -0.082 -4.308 -2.911 1.00 0.00 N ATOM 308 CA ALA A 30 -0.030 -5.611 -3.613 1.00 0.00 C ATOM 309 C ALA A 30 -1.000 -5.524 -4.783 1.00 0.00 C ATOM 310 O ALA A 30 -0.785 -6.085 -5.841 1.00 0.00 O ATOM 311 CB ALA A 30 -0.465 -6.729 -2.662 1.00 0.00 C ATOM 0 H ALA A 30 -0.357 -4.353 -1.930 1.00 0.00 H new ATOM 0 HA ALA A 30 0.981 -5.829 -3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.425 -7.686 -3.183 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.204 -6.756 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.484 -6.542 -2.323 1.00 0.00 H new ATOM 317 N GLU A 31 -2.069 -4.797 -4.595 1.00 0.00 N ATOM 318 CA GLU A 31 -3.063 -4.642 -5.686 1.00 0.00 C ATOM 319 C GLU A 31 -2.518 -3.685 -6.741 1.00 0.00 C ATOM 320 O GLU A 31 -2.899 -3.746 -7.894 1.00 0.00 O ATOM 321 CB GLU A 31 -4.375 -4.089 -5.126 1.00 0.00 C ATOM 322 CG GLU A 31 -4.978 -5.096 -4.146 1.00 0.00 C ATOM 323 CD GLU A 31 -5.226 -6.423 -4.867 1.00 0.00 C ATOM 324 OE1 GLU A 31 -5.574 -6.385 -6.034 1.00 0.00 O ATOM 325 OE2 GLU A 31 -5.063 -7.456 -4.236 1.00 0.00 O ATOM 0 H GLU A 31 -2.293 -4.305 -3.730 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.250 -5.617 -6.137 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.196 -3.139 -4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.075 -3.893 -5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.304 -5.248 -3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.913 -4.710 -3.740 1.00 0.00 H new ATOM 332 N TYR A 32 -1.620 -2.808 -6.379 1.00 0.00 N ATOM 333 CA TYR A 32 -1.071 -1.885 -7.392 1.00 0.00 C ATOM 334 C TYR A 32 -0.247 -2.710 -8.374 1.00 0.00 C ATOM 335 O TYR A 32 -0.363 -2.576 -9.580 1.00 0.00 O ATOM 336 CB TYR A 32 -0.195 -0.843 -6.713 1.00 0.00 C ATOM 337 CG TYR A 32 -0.380 0.485 -7.397 1.00 0.00 C ATOM 338 CD1 TYR A 32 -0.275 0.597 -8.790 1.00 0.00 C ATOM 339 CD2 TYR A 32 -0.678 1.614 -6.630 1.00 0.00 C ATOM 340 CE1 TYR A 32 -0.466 1.832 -9.403 1.00 0.00 C ATOM 341 CE2 TYR A 32 -0.866 2.843 -7.240 1.00 0.00 C ATOM 342 CZ TYR A 32 -0.762 2.962 -8.629 1.00 0.00 C ATOM 343 OH TYR A 32 -0.953 4.186 -9.236 1.00 0.00 O ATOM 0 H TYR A 32 -1.251 -2.697 -5.434 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.873 -1.367 -7.918 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.458 -0.762 -5.658 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.851 -1.146 -6.758 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.046 -0.274 -9.387 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.762 1.528 -5.557 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.386 1.919 -10.476 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.094 3.712 -6.641 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.877 4.481 -9.094 1.00 0.00 H new ATOM 353 N ASN A 33 0.574 -3.586 -7.860 1.00 0.00 N ATOM 354 CA ASN A 33 1.392 -4.443 -8.756 1.00 0.00 C ATOM 355 C ASN A 33 0.459 -5.310 -9.602 1.00 0.00 C ATOM 356 O ASN A 33 0.526 -5.304 -10.816 1.00 0.00 O ATOM 357 CB ASN A 33 2.309 -5.336 -7.916 1.00 0.00 C ATOM 358 CG ASN A 33 2.885 -6.450 -8.793 1.00 0.00 C ATOM 359 OD1 ASN A 33 2.964 -6.310 -9.998 1.00 0.00 O ATOM 360 ND2 ASN A 33 3.293 -7.556 -8.237 1.00 0.00 N ATOM 0 H ASN A 33 0.711 -3.743 -6.861 1.00 0.00 H new ATOM 0 HA ASN A 33 2.004 -3.819 -9.408 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.117 -4.743 -7.486 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.752 -5.766 -7.084 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.679 -8.304 -8.813 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.227 -7.673 -7.226 1.00 0.00 H new ATOM 367 N ARG A 34 -0.417 -6.054 -8.978 1.00 0.00 N ATOM 368 CA ARG A 34 -1.349 -6.907 -9.763 1.00 0.00 C ATOM 369 C ARG A 34 -2.249 -6.010 -10.613 1.00 0.00 C ATOM 370 O ARG A 34 -2.907 -6.459 -11.531 1.00 0.00 O ATOM 371 CB ARG A 34 -2.206 -7.745 -8.812 1.00 0.00 C ATOM 372 CG ARG A 34 -1.339 -8.253 -7.659 1.00 0.00 C ATOM 373 CD ARG A 34 -1.355 -9.782 -7.642 1.00 0.00 C ATOM 374 NE ARG A 34 -0.318 -10.299 -8.579 1.00 0.00 N ATOM 375 CZ ARG A 34 0.537 -11.199 -8.174 1.00 0.00 C ATOM 376 NH1 ARG A 34 1.113 -11.074 -7.011 1.00 0.00 N ATOM 377 NH2 ARG A 34 0.815 -12.223 -8.935 1.00 0.00 N ATOM 0 H ARG A 34 -0.525 -6.106 -7.965 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.780 -7.575 -10.410 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.030 -7.146 -8.425 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.647 -8.586 -9.348 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.317 -7.891 -7.772 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.712 -7.865 -6.711 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.164 -10.147 -6.633 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.339 -10.150 -7.933 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.276 -9.950 -9.536 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.896 -10.273 -6.418 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.781 -11.777 -6.694 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.364 -12.319 -9.845 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.483 -12.927 -8.619 1.00 0.00 H new ATOM 391 N ALA A 35 -2.282 -4.740 -10.311 1.00 0.00 N ATOM 392 CA ALA A 35 -3.137 -3.809 -11.099 1.00 0.00 C ATOM 393 C ALA A 35 -2.470 -3.508 -12.440 1.00 0.00 C ATOM 394 O ALA A 35 -3.126 -3.223 -13.421 1.00 0.00 O ATOM 395 CB ALA A 35 -3.332 -2.506 -10.318 1.00 0.00 C ATOM 0 H ALA A 35 -1.754 -4.308 -9.553 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.107 -4.273 -11.276 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.958 -1.826 -10.896 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.815 -2.722 -9.365 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.363 -2.042 -10.137 1.00 0.00 H new ATOM 401 N SER A 36 -1.171 -3.577 -12.492 1.00 0.00 N ATOM 402 CA SER A 36 -0.462 -3.302 -13.775 1.00 0.00 C ATOM 403 C SER A 36 -0.832 -4.382 -14.796 1.00 0.00 C ATOM 404 O SER A 36 -1.387 -4.098 -15.839 1.00 0.00 O ATOM 405 CB SER A 36 1.049 -3.320 -13.541 1.00 0.00 C ATOM 406 OG SER A 36 1.721 -3.395 -14.790 1.00 0.00 O ATOM 0 H SER A 36 -0.568 -3.812 -11.704 1.00 0.00 H new ATOM 0 HA SER A 36 -0.757 -2.323 -14.152 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.355 -2.422 -13.005 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.321 -4.172 -12.918 1.00 0.00 H new ATOM 0 HG SER A 36 2.604 -2.978 -14.712 1.00 0.00 H new ATOM 412 N ASN A 37 -0.532 -5.618 -14.495 1.00 0.00 N ATOM 413 CA ASN A 37 -0.864 -6.732 -15.431 1.00 0.00 C ATOM 414 C ASN A 37 0.187 -6.827 -16.539 1.00 0.00 C ATOM 415 O ASN A 37 0.228 -7.786 -17.284 1.00 0.00 O ATOM 416 CB ASN A 37 -2.243 -6.490 -16.053 1.00 0.00 C ATOM 417 CG ASN A 37 -3.189 -5.933 -14.987 1.00 0.00 C ATOM 418 OD1 ASN A 37 -3.284 -6.469 -13.901 1.00 0.00 O ATOM 419 ND2 ASN A 37 -3.900 -4.871 -15.254 1.00 0.00 N ATOM 0 H ASN A 37 -0.067 -5.906 -13.634 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.874 -7.668 -14.872 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.162 -5.790 -16.885 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.640 -7.421 -16.458 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.535 -4.492 -14.551 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.821 -4.420 -16.166 1.00 0.00 H new ATOM 426 N ASP A 38 1.039 -5.848 -16.658 1.00 0.00 N ATOM 427 CA ASP A 38 2.079 -5.887 -17.708 1.00 0.00 C ATOM 428 C ASP A 38 3.147 -6.922 -17.327 1.00 0.00 C ATOM 429 O ASP A 38 2.899 -8.110 -17.353 1.00 0.00 O ATOM 430 CB ASP A 38 2.682 -4.495 -17.794 1.00 0.00 C ATOM 431 CG ASP A 38 3.762 -4.461 -18.878 1.00 0.00 C ATOM 432 OD1 ASP A 38 3.421 -4.660 -20.031 1.00 0.00 O ATOM 433 OD2 ASP A 38 4.910 -4.237 -18.537 1.00 0.00 O ATOM 0 H ASP A 38 1.055 -5.018 -16.065 1.00 0.00 H new ATOM 0 HA ASP A 38 1.663 -6.174 -18.673 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.904 -3.766 -18.020 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.111 -4.215 -16.832 1.00 0.00 H new ATOM 438 N LYS A 39 4.326 -6.491 -16.965 1.00 0.00 N ATOM 439 CA LYS A 39 5.381 -7.469 -16.576 1.00 0.00 C ATOM 440 C LYS A 39 5.965 -7.058 -15.229 1.00 0.00 C ATOM 441 O LYS A 39 5.693 -7.659 -14.209 1.00 0.00 O ATOM 442 CB LYS A 39 6.485 -7.492 -17.637 1.00 0.00 C ATOM 443 CG LYS A 39 5.881 -7.865 -18.993 1.00 0.00 C ATOM 444 CD LYS A 39 6.773 -8.898 -19.682 1.00 0.00 C ATOM 445 CE LYS A 39 5.906 -9.873 -20.478 1.00 0.00 C ATOM 446 NZ LYS A 39 5.363 -9.186 -21.684 1.00 0.00 N ATOM 0 H LYS A 39 4.602 -5.510 -16.922 1.00 0.00 H new ATOM 0 HA LYS A 39 4.947 -8.466 -16.499 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.967 -6.516 -17.697 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.256 -8.211 -17.360 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.877 -8.268 -18.857 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.786 -6.977 -19.617 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.480 -8.399 -20.345 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.360 -9.439 -18.940 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.495 -10.741 -20.775 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.089 -10.240 -19.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.815 -9.863 -22.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.746 -8.402 -21.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.149 -8.812 -22.254 1.00 0.00 H new ATOM 460 N TYR A 40 6.749 -6.025 -15.237 1.00 0.00 N ATOM 461 CA TYR A 40 7.359 -5.494 -13.971 1.00 0.00 C ATOM 462 C TYR A 40 6.233 -5.298 -12.944 1.00 0.00 C ATOM 463 O TYR A 40 5.152 -5.831 -13.080 1.00 0.00 O ATOM 464 CB TYR A 40 8.016 -4.134 -14.271 1.00 0.00 C ATOM 465 CG TYR A 40 6.977 -3.302 -14.946 1.00 0.00 C ATOM 466 CD1 TYR A 40 5.985 -2.676 -14.187 1.00 0.00 C ATOM 467 CD2 TYR A 40 6.962 -3.215 -16.334 1.00 0.00 C ATOM 468 CE1 TYR A 40 4.976 -1.961 -14.824 1.00 0.00 C ATOM 469 CE2 TYR A 40 5.964 -2.493 -16.975 1.00 0.00 C ATOM 470 CZ TYR A 40 4.960 -1.866 -16.224 1.00 0.00 C ATOM 471 OH TYR A 40 3.959 -1.157 -16.858 1.00 0.00 O ATOM 0 H TYR A 40 7.004 -5.509 -16.079 1.00 0.00 H new ATOM 0 HA TYR A 40 8.108 -6.185 -13.583 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.358 -3.657 -13.352 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.890 -4.258 -14.911 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.001 -2.747 -13.109 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.727 -3.709 -16.914 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.205 -1.479 -14.241 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.961 -2.415 -18.052 1.00 0.00 H new ATOM 0 HH TYR A 40 4.098 -1.190 -17.827 1.00 0.00 H new ATOM 481 N SER A 41 6.464 -4.540 -11.916 1.00 0.00 N ATOM 482 CA SER A 41 5.392 -4.342 -10.900 1.00 0.00 C ATOM 483 C SER A 41 5.428 -2.919 -10.329 1.00 0.00 C ATOM 484 O SER A 41 6.352 -2.150 -10.565 1.00 0.00 O ATOM 485 CB SER A 41 5.595 -5.349 -9.766 1.00 0.00 C ATOM 486 OG SER A 41 6.885 -5.173 -9.201 1.00 0.00 O ATOM 0 H SER A 41 7.340 -4.051 -11.732 1.00 0.00 H new ATOM 0 HA SER A 41 4.424 -4.493 -11.377 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.830 -5.211 -9.002 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.488 -6.365 -10.145 1.00 0.00 H new ATOM 0 HG SER A 41 7.014 -5.817 -8.474 1.00 0.00 H new ATOM 492 N SER A 42 4.413 -2.575 -9.568 1.00 0.00 N ATOM 493 CA SER A 42 4.335 -1.225 -8.946 1.00 0.00 C ATOM 494 C SER A 42 4.832 -1.322 -7.497 1.00 0.00 C ATOM 495 O SER A 42 4.391 -2.173 -6.750 1.00 0.00 O ATOM 496 CB SER A 42 2.880 -0.741 -8.951 1.00 0.00 C ATOM 497 OG SER A 42 2.267 -1.104 -10.180 1.00 0.00 O ATOM 0 H SER A 42 3.626 -3.187 -9.352 1.00 0.00 H new ATOM 0 HA SER A 42 4.950 -0.522 -9.508 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.335 -1.182 -8.116 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.844 0.340 -8.819 1.00 0.00 H new ATOM 0 HG SER A 42 1.397 -1.519 -10.002 1.00 0.00 H new ATOM 503 N ARG A 43 5.745 -0.482 -7.083 1.00 0.00 N ATOM 504 CA ARG A 43 6.241 -0.585 -5.676 1.00 0.00 C ATOM 505 C ARG A 43 6.066 0.747 -4.941 1.00 0.00 C ATOM 506 O ARG A 43 6.191 1.809 -5.519 1.00 0.00 O ATOM 507 CB ARG A 43 7.724 -0.961 -5.691 1.00 0.00 C ATOM 508 CG ARG A 43 7.863 -2.484 -5.716 1.00 0.00 C ATOM 509 CD ARG A 43 9.264 -2.878 -5.243 1.00 0.00 C ATOM 510 NE ARG A 43 9.482 -2.368 -3.859 1.00 0.00 N ATOM 511 CZ ARG A 43 10.679 -2.376 -3.341 1.00 0.00 C ATOM 512 NH1 ARG A 43 11.459 -3.407 -3.516 1.00 0.00 N ATOM 513 NH2 ARG A 43 11.098 -1.352 -2.647 1.00 0.00 N ATOM 0 H ARG A 43 6.163 0.259 -7.646 1.00 0.00 H new ATOM 0 HA ARG A 43 5.663 -1.350 -5.157 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.212 -0.526 -6.563 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.222 -0.554 -4.811 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.110 -2.939 -5.073 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.690 -2.859 -6.725 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.375 -3.962 -5.264 1.00 0.00 H new ATOM 0 HD3 ARG A 43 10.016 -2.467 -5.916 1.00 0.00 H new ATOM 0 HE ARG A 43 8.694 -2.013 -3.317 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.133 -4.207 -4.058 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.395 -3.413 -3.111 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.489 -0.545 -2.510 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.034 -1.359 -2.242 1.00 0.00 H new ATOM 527 N VAL A 44 5.790 0.697 -3.660 1.00 0.00 N ATOM 528 CA VAL A 44 5.625 1.959 -2.883 1.00 0.00 C ATOM 529 C VAL A 44 6.884 2.797 -3.049 1.00 0.00 C ATOM 530 O VAL A 44 7.776 2.439 -3.782 1.00 0.00 O ATOM 531 CB VAL A 44 5.339 1.635 -1.416 1.00 0.00 C ATOM 532 CG1 VAL A 44 6.622 1.683 -0.585 1.00 0.00 C ATOM 533 CG2 VAL A 44 4.332 2.656 -0.879 1.00 0.00 C ATOM 0 H VAL A 44 5.673 -0.162 -3.123 1.00 0.00 H new ATOM 0 HA VAL A 44 4.776 2.533 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 44 4.931 0.627 -1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.391 1.449 0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.334 0.954 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.057 2.681 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.117 2.439 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.751 3.659 -0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.411 2.598 -1.459 1.00 0.00 H new ATOM 543 N VAL A 45 6.959 3.925 -2.413 1.00 0.00 N ATOM 544 CA VAL A 45 8.154 4.781 -2.603 1.00 0.00 C ATOM 545 C VAL A 45 8.395 5.580 -1.324 1.00 0.00 C ATOM 546 O VAL A 45 9.264 5.272 -0.535 1.00 0.00 O ATOM 547 CB VAL A 45 7.902 5.752 -3.773 1.00 0.00 C ATOM 548 CG1 VAL A 45 8.997 5.647 -4.807 1.00 0.00 C ATOM 549 CG2 VAL A 45 6.626 5.422 -4.518 1.00 0.00 C ATOM 0 H VAL A 45 6.252 4.290 -1.775 1.00 0.00 H new ATOM 0 HA VAL A 45 9.025 4.164 -2.824 1.00 0.00 H new ATOM 0 HB VAL A 45 7.852 6.743 -3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.796 6.342 -5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.955 5.893 -4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.032 4.630 -5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.487 6.131 -5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.692 4.412 -4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.779 5.485 -3.835 1.00 0.00 H new ATOM 559 N ARG A 46 7.613 6.599 -1.116 1.00 0.00 N ATOM 560 CA ARG A 46 7.755 7.430 0.108 1.00 0.00 C ATOM 561 C ARG A 46 6.366 7.631 0.716 1.00 0.00 C ATOM 562 O ARG A 46 5.641 8.533 0.344 1.00 0.00 O ATOM 563 CB ARG A 46 8.359 8.786 -0.259 1.00 0.00 C ATOM 564 CG ARG A 46 8.990 9.418 0.985 1.00 0.00 C ATOM 565 CD ARG A 46 8.327 10.769 1.260 1.00 0.00 C ATOM 566 NE ARG A 46 8.675 11.725 0.171 1.00 0.00 N ATOM 567 CZ ARG A 46 9.066 12.934 0.463 1.00 0.00 C ATOM 568 NH1 ARG A 46 10.176 13.119 1.124 1.00 0.00 N ATOM 569 NH2 ARG A 46 8.348 13.960 0.096 1.00 0.00 N ATOM 0 H ARG A 46 6.872 6.895 -1.751 1.00 0.00 H new ATOM 0 HA ARG A 46 8.410 6.936 0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.111 8.662 -1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.588 9.442 -0.662 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.867 8.758 1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.062 9.550 0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.245 10.649 1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.659 11.160 2.222 1.00 0.00 H new ATOM 0 HE ARG A 46 8.607 11.433 -0.804 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.738 12.318 1.412 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.482 14.065 1.352 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.480 13.817 -0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.655 14.905 0.325 1.00 0.00 H new ATOM 583 N VAL A 47 5.985 6.789 1.638 1.00 0.00 N ATOM 584 CA VAL A 47 4.647 6.913 2.263 1.00 0.00 C ATOM 585 C VAL A 47 4.348 8.376 2.572 1.00 0.00 C ATOM 586 O VAL A 47 5.206 9.233 2.511 1.00 0.00 O ATOM 587 CB VAL A 47 4.624 6.066 3.527 1.00 0.00 C ATOM 588 CG1 VAL A 47 3.611 6.614 4.528 1.00 0.00 C ATOM 589 CG2 VAL A 47 4.250 4.626 3.163 1.00 0.00 C ATOM 0 H VAL A 47 6.552 6.015 1.985 1.00 0.00 H new ATOM 0 HA VAL A 47 3.875 6.557 1.581 1.00 0.00 H new ATOM 0 HB VAL A 47 5.613 6.093 3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.612 5.993 5.424 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.880 7.636 4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.617 6.605 4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.232 4.015 4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.265 4.613 2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.986 4.224 2.467 1.00 0.00 H new ATOM 599 N ILE A 48 3.118 8.658 2.870 1.00 0.00 N ATOM 600 CA ILE A 48 2.713 10.050 3.151 1.00 0.00 C ATOM 601 C ILE A 48 1.708 10.031 4.288 1.00 0.00 C ATOM 602 O ILE A 48 1.839 10.724 5.277 1.00 0.00 O ATOM 603 CB ILE A 48 2.012 10.568 1.907 1.00 0.00 C ATOM 604 CG1 ILE A 48 3.031 10.900 0.820 1.00 0.00 C ATOM 605 CG2 ILE A 48 1.196 11.821 2.237 1.00 0.00 C ATOM 606 CD1 ILE A 48 2.294 11.034 -0.514 1.00 0.00 C ATOM 0 H ILE A 48 2.366 7.971 2.931 1.00 0.00 H new ATOM 0 HA ILE A 48 3.570 10.670 3.413 1.00 0.00 H new ATOM 0 HB ILE A 48 1.342 9.788 1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.551 11.827 1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.787 10.117 0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.700 12.180 1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.447 11.579 2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.859 12.597 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.009 11.271 -1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.793 10.095 -0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.554 11.831 -0.443 1.00 0.00 H new ATOM 618 N SER A 49 0.686 9.243 4.126 1.00 0.00 N ATOM 619 CA SER A 49 -0.368 9.174 5.177 1.00 0.00 C ATOM 620 C SER A 49 -0.716 7.719 5.496 1.00 0.00 C ATOM 621 O SER A 49 -1.464 7.078 4.784 1.00 0.00 O ATOM 622 CB SER A 49 -1.622 9.897 4.683 1.00 0.00 C ATOM 623 OG SER A 49 -2.248 10.557 5.773 1.00 0.00 O ATOM 0 H SER A 49 0.533 8.644 3.315 1.00 0.00 H new ATOM 0 HA SER A 49 0.007 9.651 6.082 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.358 10.619 3.910 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.312 9.184 4.231 1.00 0.00 H new ATOM 0 HG SER A 49 -3.051 11.022 5.457 1.00 0.00 H new ATOM 629 N ALA A 50 -0.198 7.206 6.575 1.00 0.00 N ATOM 630 CA ALA A 50 -0.514 5.805 6.965 1.00 0.00 C ATOM 631 C ALA A 50 -1.160 5.830 8.354 1.00 0.00 C ATOM 632 O ALA A 50 -0.481 5.902 9.359 1.00 0.00 O ATOM 633 CB ALA A 50 0.769 4.979 7.015 1.00 0.00 C ATOM 0 H ALA A 50 0.433 7.699 7.207 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.192 5.358 6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.531 3.954 7.301 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.242 4.981 6.033 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.452 5.411 7.747 1.00 0.00 H new ATOM 639 N LYS A 51 -2.462 5.797 8.423 1.00 0.00 N ATOM 640 CA LYS A 51 -3.137 5.847 9.754 1.00 0.00 C ATOM 641 C LYS A 51 -4.200 4.759 9.858 1.00 0.00 C ATOM 642 O LYS A 51 -4.620 4.180 8.876 1.00 0.00 O ATOM 643 CB LYS A 51 -3.794 7.216 9.938 1.00 0.00 C ATOM 644 CG LYS A 51 -2.715 8.274 10.174 1.00 0.00 C ATOM 645 CD LYS A 51 -3.173 9.237 11.272 1.00 0.00 C ATOM 646 CE LYS A 51 -3.820 10.466 10.635 1.00 0.00 C ATOM 647 NZ LYS A 51 -5.208 10.133 10.206 1.00 0.00 N ATOM 0 H LYS A 51 -3.087 5.738 7.619 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.391 5.683 10.531 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.381 7.471 9.055 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.483 7.190 10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.779 7.796 10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.521 8.823 9.252 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.883 8.740 11.933 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.323 9.537 11.885 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.836 11.291 11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.233 10.796 9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.797 10.990 10.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.192 9.762 9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.606 9.414 10.844 1.00 0.00 H new ATOM 661 N ARG A 52 -4.633 4.483 11.056 1.00 0.00 N ATOM 662 CA ARG A 52 -5.670 3.430 11.252 1.00 0.00 C ATOM 663 C ARG A 52 -6.844 3.990 12.073 1.00 0.00 C ATOM 664 O ARG A 52 -6.901 3.832 13.277 1.00 0.00 O ATOM 665 CB ARG A 52 -5.046 2.243 11.973 1.00 0.00 C ATOM 666 CG ARG A 52 -4.303 1.366 10.963 1.00 0.00 C ATOM 667 CD ARG A 52 -3.348 0.427 11.705 1.00 0.00 C ATOM 668 NE ARG A 52 -2.725 1.154 12.846 1.00 0.00 N ATOM 669 CZ ARG A 52 -2.634 0.582 14.015 1.00 0.00 C ATOM 670 NH1 ARG A 52 -2.412 -0.702 14.099 1.00 0.00 N ATOM 671 NH2 ARG A 52 -2.765 1.293 15.101 1.00 0.00 N ATOM 0 H ARG A 52 -4.314 4.941 11.910 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.049 3.108 10.282 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.358 2.592 12.743 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.819 1.662 12.476 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.015 0.787 10.375 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.746 1.990 10.264 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.889 -0.447 12.068 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.576 0.064 11.026 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.369 2.101 12.713 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.310 -1.258 13.250 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.341 -1.149 15.013 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.939 2.296 15.036 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.694 0.846 16.015 1.00 0.00 H new ATOM 685 N GLN A 53 -7.782 4.649 11.431 1.00 0.00 N ATOM 686 CA GLN A 53 -8.947 5.225 12.171 1.00 0.00 C ATOM 687 C GLN A 53 -9.484 4.202 13.172 1.00 0.00 C ATOM 688 O GLN A 53 -9.304 3.011 13.008 1.00 0.00 O ATOM 689 CB GLN A 53 -10.054 5.590 11.179 1.00 0.00 C ATOM 690 CG GLN A 53 -10.170 7.112 11.080 1.00 0.00 C ATOM 691 CD GLN A 53 -11.556 7.488 10.551 1.00 0.00 C ATOM 692 OE1 GLN A 53 -11.711 7.741 9.281 1.00 0.00 O flip ATOM 693 NE2 GLN A 53 -12.507 7.553 11.304 1.00 0.00 N flip ATOM 0 H GLN A 53 -7.789 4.812 10.424 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.623 6.118 12.705 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.833 5.167 10.199 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.003 5.163 11.503 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.008 7.564 12.059 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.398 7.503 10.417 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.386 7.355 12.297 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.427 7.805 10.943 1.00 0.00 H new ATOM 702 N LEU A 54 -10.140 4.658 14.213 1.00 0.00 N ATOM 703 CA LEU A 54 -10.676 3.710 15.234 1.00 0.00 C ATOM 704 C LEU A 54 -12.181 3.925 15.451 1.00 0.00 C ATOM 705 O LEU A 54 -12.598 4.515 16.426 1.00 0.00 O ATOM 706 CB LEU A 54 -9.941 3.927 16.558 1.00 0.00 C ATOM 707 CG LEU A 54 -9.994 2.642 17.386 1.00 0.00 C ATOM 708 CD1 LEU A 54 -8.646 2.422 18.076 1.00 0.00 C ATOM 709 CD2 LEU A 54 -11.094 2.759 18.442 1.00 0.00 C ATOM 0 H LEU A 54 -10.326 5.644 14.397 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.520 2.692 14.876 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.905 4.209 16.369 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.399 4.748 17.110 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.208 1.798 16.731 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.684 1.506 18.666 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.862 2.336 17.324 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.430 3.266 18.731 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.131 1.843 19.032 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.881 3.604 19.097 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.055 2.914 17.951 1.00 0.00 H new ATOM 721 N VAL A 55 -12.997 3.415 14.568 1.00 0.00 N ATOM 722 CA VAL A 55 -14.473 3.547 14.741 1.00 0.00 C ATOM 723 C VAL A 55 -15.020 2.138 15.016 1.00 0.00 C ATOM 724 O VAL A 55 -14.357 1.352 15.662 1.00 0.00 O ATOM 725 CB VAL A 55 -15.088 4.147 13.468 1.00 0.00 C ATOM 726 CG1 VAL A 55 -15.194 3.076 12.379 1.00 0.00 C ATOM 727 CG2 VAL A 55 -16.478 4.707 13.781 1.00 0.00 C ATOM 0 H VAL A 55 -12.704 2.911 13.731 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.724 4.211 15.568 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.447 4.952 13.110 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -15.631 3.512 11.481 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.200 2.692 12.149 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -15.826 2.261 12.731 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -16.911 5.132 12.876 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -17.119 3.906 14.149 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.395 5.483 14.542 1.00 0.00 H new ATOM 737 N SER A 56 -16.198 1.794 14.545 1.00 0.00 N ATOM 738 CA SER A 56 -16.724 0.411 14.802 1.00 0.00 C ATOM 739 C SER A 56 -15.567 -0.589 14.695 1.00 0.00 C ATOM 740 O SER A 56 -15.517 -1.587 15.384 1.00 0.00 O ATOM 741 CB SER A 56 -17.798 0.061 13.766 1.00 0.00 C ATOM 742 OG SER A 56 -17.173 -0.357 12.563 1.00 0.00 O ATOM 0 H SER A 56 -16.811 2.401 14.001 1.00 0.00 H new ATOM 0 HA SER A 56 -17.163 0.367 15.799 1.00 0.00 H new ATOM 0 HB2 SER A 56 -18.443 -0.730 14.148 1.00 0.00 H new ATOM 0 HB3 SER A 56 -18.433 0.927 13.577 1.00 0.00 H new ATOM 0 HG SER A 56 -17.858 -0.583 11.900 1.00 0.00 H new ATOM 748 N GLY A 57 -14.625 -0.287 13.854 1.00 0.00 N ATOM 749 CA GLY A 57 -13.426 -1.147 13.679 1.00 0.00 C ATOM 750 C GLY A 57 -12.272 -0.205 13.329 1.00 0.00 C ATOM 751 O GLY A 57 -12.177 0.871 13.884 1.00 0.00 O ATOM 0 H GLY A 57 -14.636 0.544 13.263 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.211 -1.705 14.591 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.584 -1.879 12.887 1.00 0.00 H new ATOM 755 N ILE A 58 -11.405 -0.549 12.414 1.00 0.00 N ATOM 756 CA ILE A 58 -10.320 0.413 12.087 1.00 0.00 C ATOM 757 C ILE A 58 -10.306 0.707 10.601 1.00 0.00 C ATOM 758 O ILE A 58 -10.440 -0.175 9.781 1.00 0.00 O ATOM 759 CB ILE A 58 -8.965 -0.168 12.453 1.00 0.00 C ATOM 760 CG1 ILE A 58 -8.920 -0.453 13.943 1.00 0.00 C ATOM 761 CG2 ILE A 58 -7.868 0.822 12.078 1.00 0.00 C ATOM 762 CD1 ILE A 58 -9.511 -1.833 14.170 1.00 0.00 C ATOM 0 H ILE A 58 -11.400 -1.427 11.894 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.507 1.325 12.654 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.808 -1.098 11.908 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.894 -0.412 14.309 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -9.485 0.300 14.493 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.896 0.405 12.341 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.902 1.014 11.006 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.020 1.756 12.619 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.492 -2.066 15.235 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.541 -1.851 13.813 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.925 -2.574 13.626 1.00 0.00 H new ATOM 774 N LYS A 59 -10.070 1.929 10.246 1.00 0.00 N ATOM 775 CA LYS A 59 -9.961 2.253 8.807 1.00 0.00 C ATOM 776 C LYS A 59 -8.483 2.457 8.565 1.00 0.00 C ATOM 777 O LYS A 59 -7.790 3.009 9.387 1.00 0.00 O ATOM 778 CB LYS A 59 -10.736 3.524 8.452 1.00 0.00 C ATOM 779 CG LYS A 59 -11.954 3.671 9.368 1.00 0.00 C ATOM 780 CD LYS A 59 -13.213 3.837 8.516 1.00 0.00 C ATOM 781 CE LYS A 59 -13.113 5.124 7.698 1.00 0.00 C ATOM 782 NZ LYS A 59 -14.366 5.314 6.915 1.00 0.00 N ATOM 0 H LYS A 59 -9.948 2.715 10.885 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.384 1.460 8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.088 4.395 8.553 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.057 3.485 7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.048 2.795 10.009 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.828 4.533 10.023 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.330 2.981 7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.095 3.868 9.155 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.952 5.976 8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.256 5.075 7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.298 6.190 6.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.501 4.506 6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.175 5.379 7.565 1.00 0.00 H new ATOM 796 N TYR A 60 -7.981 1.983 7.486 1.00 0.00 N ATOM 797 CA TYR A 60 -6.518 2.115 7.250 1.00 0.00 C ATOM 798 C TYR A 60 -6.252 3.090 6.119 1.00 0.00 C ATOM 799 O TYR A 60 -6.222 2.720 4.966 1.00 0.00 O ATOM 800 CB TYR A 60 -5.954 0.754 6.893 1.00 0.00 C ATOM 801 CG TYR A 60 -5.684 -0.051 8.156 1.00 0.00 C ATOM 802 CD1 TYR A 60 -6.736 -0.389 9.027 1.00 0.00 C ATOM 803 CD2 TYR A 60 -4.383 -0.484 8.446 1.00 0.00 C ATOM 804 CE1 TYR A 60 -6.481 -1.152 10.170 1.00 0.00 C ATOM 805 CE2 TYR A 60 -4.134 -1.242 9.592 1.00 0.00 C ATOM 806 CZ TYR A 60 -5.182 -1.580 10.453 1.00 0.00 C ATOM 807 OH TYR A 60 -4.933 -2.333 11.581 1.00 0.00 O ATOM 0 H TYR A 60 -8.506 1.509 6.751 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.039 2.493 8.153 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.656 0.218 6.254 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.032 0.872 6.324 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.742 -0.059 8.812 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.571 -0.231 7.781 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.291 -1.411 10.836 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.129 -1.568 9.814 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.556 -3.199 11.320 1.00 0.00 H new ATOM 817 N ILE A 61 -6.032 4.334 6.422 1.00 0.00 N ATOM 818 CA ILE A 61 -5.757 5.290 5.337 1.00 0.00 C ATOM 819 C ILE A 61 -4.298 5.150 4.946 1.00 0.00 C ATOM 820 O ILE A 61 -3.423 5.034 5.773 1.00 0.00 O ATOM 821 CB ILE A 61 -6.000 6.711 5.807 1.00 0.00 C ATOM 822 CG1 ILE A 61 -6.996 6.732 6.972 1.00 0.00 C ATOM 823 CG2 ILE A 61 -6.549 7.550 4.651 1.00 0.00 C ATOM 824 CD1 ILE A 61 -8.207 5.862 6.628 1.00 0.00 C ATOM 0 H ILE A 61 -6.032 4.722 7.365 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.414 5.081 4.493 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.053 7.130 6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.517 6.364 7.880 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.315 7.755 7.172 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.722 8.571 4.992 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.828 7.558 3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.488 7.119 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.914 5.878 7.457 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.691 6.250 5.731 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.880 4.838 6.450 1.00 0.00 H new ATOM 836 N LEU A 62 -4.035 5.119 3.693 1.00 0.00 N ATOM 837 CA LEU A 62 -2.679 4.952 3.219 1.00 0.00 C ATOM 838 C LEU A 62 -2.424 5.943 2.102 1.00 0.00 C ATOM 839 O LEU A 62 -3.281 6.215 1.295 1.00 0.00 O ATOM 840 CB LEU A 62 -2.634 3.572 2.637 1.00 0.00 C ATOM 841 CG LEU A 62 -1.253 2.947 2.719 1.00 0.00 C ATOM 842 CD1 LEU A 62 -0.236 3.884 2.103 1.00 0.00 C ATOM 843 CD2 LEU A 62 -0.907 2.671 4.168 1.00 0.00 C ATOM 0 H LEU A 62 -4.736 5.206 2.957 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.945 5.102 4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.348 2.937 3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.949 3.611 1.594 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.242 2.006 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.755 3.435 2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.492 4.063 1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.238 4.830 2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.085 2.222 4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.916 3.606 4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.641 1.986 4.593 1.00 0.00 H new ATOM 855 N GLN A 63 -1.248 6.433 2.018 1.00 0.00 N ATOM 856 CA GLN A 63 -0.903 7.339 0.914 1.00 0.00 C ATOM 857 C GLN A 63 0.533 7.101 0.585 1.00 0.00 C ATOM 858 O GLN A 63 1.354 6.872 1.447 1.00 0.00 O ATOM 859 CB GLN A 63 -1.023 8.783 1.276 1.00 0.00 C ATOM 860 CG GLN A 63 -2.382 9.338 0.853 1.00 0.00 C ATOM 861 CD GLN A 63 -2.371 9.618 -0.649 1.00 0.00 C ATOM 862 OE1 GLN A 63 -1.640 8.994 -1.390 1.00 0.00 O ATOM 863 NE2 GLN A 63 -3.158 10.541 -1.132 1.00 0.00 N ATOM 0 H GLN A 63 -0.492 6.245 2.676 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.590 7.136 0.093 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.894 8.905 2.352 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.227 9.351 0.794 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.170 8.625 1.095 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.601 10.253 1.403 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.772 11.065 -0.509 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.159 10.738 -2.133 1.00 0.00 H new ATOM 872 N VAL A 64 0.836 7.201 -0.640 1.00 0.00 N ATOM 873 CA VAL A 64 2.244 7.011 -1.080 1.00 0.00 C ATOM 874 C VAL A 64 2.376 7.479 -2.531 1.00 0.00 C ATOM 875 O VAL A 64 1.496 7.254 -3.338 1.00 0.00 O ATOM 876 CB VAL A 64 2.676 5.510 -1.004 1.00 0.00 C ATOM 877 CG1 VAL A 64 2.173 4.831 0.272 1.00 0.00 C ATOM 878 CG2 VAL A 64 2.121 4.754 -2.197 1.00 0.00 C ATOM 0 H VAL A 64 0.173 7.409 -1.387 1.00 0.00 H new ATOM 0 HA VAL A 64 2.886 7.590 -0.416 1.00 0.00 H new ATOM 0 HB VAL A 64 3.766 5.490 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.497 3.790 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.579 5.346 1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.084 4.873 0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.425 3.709 -2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.033 4.816 -2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.506 5.193 -3.117 1.00 0.00 H new ATOM 888 N GLU A 65 3.474 8.092 -2.878 1.00 0.00 N ATOM 889 CA GLU A 65 3.676 8.517 -4.295 1.00 0.00 C ATOM 890 C GLU A 65 4.204 7.298 -5.052 1.00 0.00 C ATOM 891 O GLU A 65 5.330 7.260 -5.467 1.00 0.00 O ATOM 892 CB GLU A 65 4.694 9.665 -4.371 1.00 0.00 C ATOM 893 CG GLU A 65 5.796 9.448 -3.332 1.00 0.00 C ATOM 894 CD GLU A 65 7.137 9.911 -3.903 1.00 0.00 C ATOM 895 OE1 GLU A 65 7.588 9.310 -4.863 1.00 0.00 O ATOM 896 OE2 GLU A 65 7.690 10.860 -3.372 1.00 0.00 O ATOM 0 H GLU A 65 4.240 8.318 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 65 2.742 8.875 -4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.127 9.714 -5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.196 10.618 -4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.566 10.002 -2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.850 8.394 -3.059 1.00 0.00 H new ATOM 903 N ILE A 66 3.362 6.312 -5.198 1.00 0.00 N ATOM 904 CA ILE A 66 3.712 5.012 -5.877 1.00 0.00 C ATOM 905 C ILE A 66 4.785 5.200 -6.941 1.00 0.00 C ATOM 906 O ILE A 66 4.950 6.242 -7.531 1.00 0.00 O ATOM 907 CB ILE A 66 2.449 4.450 -6.582 1.00 0.00 C ATOM 908 CG1 ILE A 66 1.152 5.043 -6.017 1.00 0.00 C ATOM 909 CG2 ILE A 66 2.359 2.930 -6.452 1.00 0.00 C ATOM 910 CD1 ILE A 66 0.867 4.440 -4.646 1.00 0.00 C ATOM 0 H ILE A 66 2.400 6.349 -4.861 1.00 0.00 H new ATOM 0 HA ILE A 66 4.084 4.332 -5.111 1.00 0.00 H new ATOM 0 HB ILE A 66 2.553 4.734 -7.629 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.240 6.126 -5.937 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.322 4.840 -6.694 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.462 2.574 -6.958 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.238 2.473 -6.907 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.313 2.657 -5.398 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.055 4.863 -4.247 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.760 3.359 -4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.692 4.666 -3.970 1.00 0.00 H new ATOM 922 N GLY A 67 5.492 4.146 -7.199 1.00 0.00 N ATOM 923 CA GLY A 67 6.536 4.169 -8.242 1.00 0.00 C ATOM 924 C GLY A 67 6.487 2.803 -8.965 1.00 0.00 C ATOM 925 O GLY A 67 5.521 2.074 -8.829 1.00 0.00 O ATOM 0 H GLY A 67 5.387 3.252 -6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.360 4.983 -8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.518 4.336 -7.800 1.00 0.00 H new ATOM 929 N ARG A 68 7.492 2.419 -9.713 1.00 0.00 N ATOM 930 CA ARG A 68 7.411 1.097 -10.396 1.00 0.00 C ATOM 931 C ARG A 68 8.607 0.232 -10.014 1.00 0.00 C ATOM 932 O ARG A 68 9.330 0.540 -9.109 1.00 0.00 O ATOM 933 CB ARG A 68 7.404 1.309 -11.912 1.00 0.00 C ATOM 934 CG ARG A 68 6.566 2.544 -12.252 1.00 0.00 C ATOM 935 CD ARG A 68 6.610 2.792 -13.761 1.00 0.00 C ATOM 936 NE ARG A 68 5.235 2.677 -14.324 1.00 0.00 N ATOM 937 CZ ARG A 68 4.986 3.101 -15.534 1.00 0.00 C ATOM 938 NH1 ARG A 68 5.384 2.406 -16.565 1.00 0.00 N ATOM 939 NH2 ARG A 68 4.341 4.221 -15.713 1.00 0.00 N ATOM 0 H ARG A 68 8.346 2.952 -9.876 1.00 0.00 H new ATOM 0 HA ARG A 68 6.495 0.594 -10.087 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.423 1.437 -12.277 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.995 0.430 -12.411 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.536 2.398 -11.927 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.949 3.414 -11.719 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.017 3.782 -13.966 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.272 2.070 -14.240 1.00 0.00 H new ATOM 0 HE ARG A 68 4.488 2.267 -13.764 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.890 1.531 -16.426 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.189 2.738 -17.510 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.031 4.765 -14.908 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.147 4.552 -16.658 1.00 0.00 H new ATOM 953 N THR A 69 8.803 -0.853 -10.711 1.00 0.00 N ATOM 954 CA THR A 69 9.949 -1.760 -10.435 1.00 0.00 C ATOM 955 C THR A 69 10.120 -2.677 -11.643 1.00 0.00 C ATOM 956 O THR A 69 9.548 -3.740 -11.709 1.00 0.00 O ATOM 957 CB THR A 69 9.704 -2.544 -9.158 1.00 0.00 C ATOM 958 OG1 THR A 69 10.570 -3.667 -9.111 1.00 0.00 O ATOM 959 CG2 THR A 69 8.252 -3.005 -9.056 1.00 0.00 C ATOM 0 H THR A 69 8.202 -1.154 -11.478 1.00 0.00 H new ATOM 0 HA THR A 69 10.867 -1.192 -10.283 1.00 0.00 H new ATOM 0 HB THR A 69 9.908 -1.886 -8.313 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.410 -4.169 -8.285 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.112 -3.563 -8.130 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.593 -2.136 -9.060 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.013 -3.645 -9.905 1.00 0.00 H new ATOM 967 N THR A 70 10.878 -2.217 -12.621 1.00 0.00 N ATOM 968 CA THR A 70 11.088 -2.995 -13.890 1.00 0.00 C ATOM 969 C THR A 70 11.494 -4.449 -13.581 1.00 0.00 C ATOM 970 O THR A 70 10.866 -5.105 -12.783 1.00 0.00 O ATOM 971 CB THR A 70 12.169 -2.312 -14.759 1.00 0.00 C ATOM 972 OG1 THR A 70 12.268 -2.990 -16.004 1.00 0.00 O ATOM 973 CG2 THR A 70 13.536 -2.332 -14.052 1.00 0.00 C ATOM 0 H THR A 70 11.366 -1.322 -12.590 1.00 0.00 H new ATOM 0 HA THR A 70 10.148 -3.013 -14.441 1.00 0.00 H new ATOM 0 HB THR A 70 11.881 -1.273 -14.921 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.328 -2.334 -16.730 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.279 -1.846 -14.684 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.463 -1.801 -13.103 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.835 -3.364 -13.868 1.00 0.00 H new ATOM 1125 N GLU A 82 14.183 -3.496 -9.909 1.00 0.00 N ATOM 1126 CA GLU A 82 14.357 -2.070 -9.513 1.00 0.00 C ATOM 1127 C GLU A 82 13.418 -1.149 -10.304 1.00 0.00 C ATOM 1128 O GLU A 82 13.122 -1.374 -11.463 1.00 0.00 O ATOM 1129 CB GLU A 82 15.805 -1.652 -9.774 1.00 0.00 C ATOM 1130 CG GLU A 82 16.746 -2.788 -9.362 1.00 0.00 C ATOM 1131 CD GLU A 82 18.172 -2.452 -9.798 1.00 0.00 C ATOM 1132 OE1 GLU A 82 18.356 -2.139 -10.964 1.00 0.00 O ATOM 1133 OE2 GLU A 82 19.057 -2.513 -8.960 1.00 0.00 O ATOM 0 HA GLU A 82 14.114 -1.977 -8.454 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.942 -1.416 -10.829 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.041 -0.748 -9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 82 16.709 -2.932 -8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 82 16.425 -3.724 -9.819 1.00 0.00 H new ATOM 1140 N PHE A 83 12.965 -0.107 -9.657 1.00 0.00 N ATOM 1141 CA PHE A 83 12.055 0.892 -10.287 1.00 0.00 C ATOM 1142 C PHE A 83 12.299 1.007 -11.798 1.00 0.00 C ATOM 1143 O PHE A 83 11.443 0.667 -12.587 1.00 0.00 O ATOM 1144 CB PHE A 83 12.261 2.204 -9.571 1.00 0.00 C ATOM 1145 CG PHE A 83 11.278 2.237 -8.424 1.00 0.00 C ATOM 1146 CD1 PHE A 83 11.124 1.109 -7.596 1.00 0.00 C ATOM 1147 CD2 PHE A 83 10.491 3.366 -8.213 1.00 0.00 C ATOM 1148 CE1 PHE A 83 10.169 1.117 -6.571 1.00 0.00 C ATOM 1149 CE2 PHE A 83 9.553 3.380 -7.177 1.00 0.00 C ATOM 1150 CZ PHE A 83 9.385 2.260 -6.361 1.00 0.00 C ATOM 0 H PHE A 83 13.197 0.098 -8.685 1.00 0.00 H new ATOM 0 HA PHE A 83 11.016 0.577 -10.187 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.284 2.288 -9.205 1.00 0.00 H new ATOM 0 HB3 PHE A 83 12.094 3.043 -10.247 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.742 0.237 -7.751 1.00 0.00 H new ATOM 0 HD2 PHE A 83 10.605 4.231 -8.850 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.037 0.247 -5.945 1.00 0.00 H new ATOM 0 HE2 PHE A 83 8.955 4.263 -7.007 1.00 0.00 H new ATOM 0 HZ PHE A 83 8.652 2.274 -5.568 1.00 0.00 H new ATOM 1160 N HIS A 84 13.447 1.454 -12.224 1.00 0.00 N ATOM 1161 CA HIS A 84 13.701 1.528 -13.692 1.00 0.00 C ATOM 1162 C HIS A 84 14.952 2.344 -13.973 1.00 0.00 C ATOM 1163 O HIS A 84 14.956 3.261 -14.769 1.00 0.00 O ATOM 1164 CB HIS A 84 12.513 2.117 -14.436 1.00 0.00 C ATOM 1165 CG HIS A 84 11.996 1.112 -15.428 1.00 0.00 C ATOM 1166 ND1 HIS A 84 10.736 0.617 -15.660 1.00 0.00 N flip ATOM 1167 CD2 HIS A 84 12.825 0.487 -16.346 1.00 0.00 C flip ATOM 1168 CE1 HIS A 84 10.780 -0.300 -16.707 1.00 0.00 C flip ATOM 1169 NE2 HIS A 84 12.061 -0.342 -17.083 1.00 0.00 N flip ATOM 0 H HIS A 84 14.213 1.768 -11.628 1.00 0.00 H new ATOM 0 HA HIS A 84 13.851 0.510 -14.053 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.726 2.387 -13.732 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.809 3.032 -14.949 1.00 0.00 H new ATOM 0 HD1 HIS A 84 9.896 0.881 -15.144 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.889 0.637 -16.451 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.955 -0.858 -17.125 1.00 0.00 H new ATOM 1177 N ASP A 85 16.023 1.973 -13.351 1.00 0.00 N ATOM 1178 CA ASP A 85 17.313 2.664 -13.589 1.00 0.00 C ATOM 1179 C ASP A 85 17.290 4.121 -13.085 1.00 0.00 C ATOM 1180 O ASP A 85 17.524 5.032 -13.856 1.00 0.00 O ATOM 1181 CB ASP A 85 17.595 2.672 -15.093 1.00 0.00 C ATOM 1182 CG ASP A 85 19.057 3.050 -15.336 1.00 0.00 C ATOM 1183 OD1 ASP A 85 19.430 4.155 -14.980 1.00 0.00 O ATOM 1184 OD2 ASP A 85 19.780 2.226 -15.873 1.00 0.00 O ATOM 0 H ASP A 85 16.063 1.209 -12.677 1.00 0.00 H new ATOM 0 HA ASP A 85 18.088 2.128 -13.041 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.387 1.690 -15.518 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.937 3.382 -15.593 1.00 0.00 H new ATOM 1189 N GLU A 86 17.035 4.366 -11.813 1.00 0.00 N ATOM 1190 CA GLU A 86 17.046 5.784 -11.313 1.00 0.00 C ATOM 1191 C GLU A 86 15.740 6.506 -11.710 1.00 0.00 C ATOM 1192 O GLU A 86 14.826 5.874 -12.201 1.00 0.00 O ATOM 1193 CB GLU A 86 18.270 6.485 -11.913 1.00 0.00 C ATOM 1194 CG GLU A 86 19.121 7.080 -10.787 1.00 0.00 C ATOM 1195 CD GLU A 86 20.379 6.231 -10.595 1.00 0.00 C ATOM 1196 OE1 GLU A 86 20.309 5.262 -9.858 1.00 0.00 O ATOM 1197 OE2 GLU A 86 21.391 6.566 -11.188 1.00 0.00 O ATOM 0 H GLU A 86 16.823 3.657 -11.111 1.00 0.00 H new ATOM 0 HA GLU A 86 17.106 5.804 -10.225 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.860 5.776 -12.493 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.953 7.271 -12.598 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.396 8.107 -11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.547 7.113 -9.861 1.00 0.00 H new ATOM 1204 N PRO A 87 15.672 7.808 -11.473 1.00 0.00 N ATOM 1205 CA PRO A 87 14.457 8.629 -11.790 1.00 0.00 C ATOM 1206 C PRO A 87 14.335 8.813 -13.315 1.00 0.00 C ATOM 1207 O PRO A 87 14.233 7.843 -14.033 1.00 0.00 O ATOM 1208 CB PRO A 87 14.701 9.927 -11.020 1.00 0.00 C ATOM 1209 CG PRO A 87 16.197 10.043 -10.797 1.00 0.00 C ATOM 1210 CD PRO A 87 16.783 8.631 -10.883 1.00 0.00 C ATOM 0 HA PRO A 87 13.508 8.180 -11.497 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.328 10.783 -11.582 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.170 9.915 -10.068 1.00 0.00 H new ATOM 0 HG2 PRO A 87 16.648 10.692 -11.548 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.407 10.487 -9.824 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.674 8.607 -11.511 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.075 8.260 -9.901 1.00 0.00 H new ATOM 1218 N GLU A 88 14.357 10.022 -13.821 1.00 0.00 N ATOM 1219 CA GLU A 88 14.262 10.240 -15.308 1.00 0.00 C ATOM 1220 C GLU A 88 13.334 9.226 -15.985 1.00 0.00 C ATOM 1221 O GLU A 88 13.484 8.964 -17.157 1.00 0.00 O ATOM 1222 CB GLU A 88 15.646 10.088 -15.949 1.00 0.00 C ATOM 1223 CG GLU A 88 16.616 9.402 -14.980 1.00 0.00 C ATOM 1224 CD GLU A 88 18.048 9.557 -15.497 1.00 0.00 C ATOM 1225 OE1 GLU A 88 18.208 9.738 -16.693 1.00 0.00 O ATOM 1226 OE2 GLU A 88 18.959 9.490 -14.689 1.00 0.00 O ATOM 0 H GLU A 88 14.437 10.876 -13.268 1.00 0.00 H new ATOM 0 HA GLU A 88 13.862 11.244 -15.449 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.566 9.504 -16.866 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.034 11.068 -16.227 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.527 9.842 -13.987 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.365 8.346 -14.884 1.00 0.00 H new ATOM 1233 N LEU A 89 12.379 8.672 -15.286 1.00 0.00 N ATOM 1234 CA LEU A 89 11.449 7.682 -15.917 1.00 0.00 C ATOM 1235 C LEU A 89 10.716 6.915 -14.818 1.00 0.00 C ATOM 1236 O LEU A 89 9.563 6.560 -14.967 1.00 0.00 O ATOM 1237 CB LEU A 89 12.193 6.698 -16.848 1.00 0.00 C ATOM 1238 CG LEU A 89 13.070 5.725 -16.054 1.00 0.00 C ATOM 1239 CD1 LEU A 89 13.094 4.396 -16.790 1.00 0.00 C ATOM 1240 CD2 LEU A 89 14.507 6.235 -15.966 1.00 0.00 C ATOM 0 H LEU A 89 12.200 8.862 -14.300 1.00 0.00 H new ATOM 0 HA LEU A 89 10.736 8.229 -16.534 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.469 6.137 -17.439 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.812 7.257 -17.550 1.00 0.00 H new ATOM 0 HG LEU A 89 12.661 5.625 -15.048 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.714 3.687 -16.241 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.079 4.005 -16.869 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.506 4.541 -17.789 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.110 5.527 -15.398 1.00 0.00 H new ATOM 0 HD22 LEU A 89 14.919 6.338 -16.970 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.519 7.204 -15.468 1.00 0.00 H new ATOM 1252 N ALA A 90 11.360 6.678 -13.707 1.00 0.00 N ATOM 1253 CA ALA A 90 10.682 5.973 -12.597 1.00 0.00 C ATOM 1254 C ALA A 90 9.915 6.996 -11.776 1.00 0.00 C ATOM 1255 O ALA A 90 9.995 7.025 -10.564 1.00 0.00 O ATOM 1256 CB ALA A 90 11.690 5.244 -11.698 1.00 0.00 C ATOM 0 H ALA A 90 12.328 6.945 -13.526 1.00 0.00 H new ATOM 0 HA ALA A 90 10.006 5.226 -13.013 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.159 4.737 -10.893 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.240 4.511 -12.288 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.388 5.966 -11.274 1.00 0.00 H new ATOM 1262 N LYS A 91 9.166 7.835 -12.437 1.00 0.00 N ATOM 1263 CA LYS A 91 8.379 8.850 -11.728 1.00 0.00 C ATOM 1264 C LYS A 91 7.478 8.143 -10.737 1.00 0.00 C ATOM 1265 O LYS A 91 7.734 7.033 -10.318 1.00 0.00 O ATOM 1266 CB LYS A 91 7.529 9.641 -12.724 1.00 0.00 C ATOM 1267 CG LYS A 91 8.370 9.989 -13.954 1.00 0.00 C ATOM 1268 CD LYS A 91 7.729 9.377 -15.201 1.00 0.00 C ATOM 1269 CE LYS A 91 6.636 10.312 -15.724 1.00 0.00 C ATOM 1270 NZ LYS A 91 7.257 11.387 -16.550 1.00 0.00 N ATOM 0 H LYS A 91 9.073 7.851 -13.453 1.00 0.00 H new ATOM 0 HA LYS A 91 9.042 9.543 -11.210 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.659 9.056 -13.020 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.156 10.552 -12.256 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.443 11.071 -14.063 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.385 9.612 -13.832 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.485 9.217 -15.970 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.305 8.401 -14.963 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.916 9.751 -16.320 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.087 10.750 -14.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.631 12.217 -16.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.175 11.654 -16.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.399 11.041 -17.520 1.00 0.00 H new ATOM 1284 N TYR A 92 6.460 8.796 -10.312 1.00 0.00 N ATOM 1285 CA TYR A 92 5.586 8.211 -9.299 1.00 0.00 C ATOM 1286 C TYR A 92 4.152 8.718 -9.457 1.00 0.00 C ATOM 1287 O TYR A 92 3.845 9.530 -10.307 1.00 0.00 O ATOM 1288 CB TYR A 92 6.174 8.673 -7.987 1.00 0.00 C ATOM 1289 CG TYR A 92 7.660 8.368 -8.000 1.00 0.00 C ATOM 1290 CD1 TYR A 92 8.109 7.061 -7.776 1.00 0.00 C ATOM 1291 CD2 TYR A 92 8.584 9.382 -8.288 1.00 0.00 C ATOM 1292 CE1 TYR A 92 9.477 6.769 -7.829 1.00 0.00 C ATOM 1293 CE2 TYR A 92 9.952 9.087 -8.347 1.00 0.00 C ATOM 1294 CZ TYR A 92 10.398 7.781 -8.117 1.00 0.00 C ATOM 1295 OH TYR A 92 11.745 7.493 -8.174 1.00 0.00 O ATOM 0 H TYR A 92 6.192 9.727 -10.630 1.00 0.00 H new ATOM 0 HA TYR A 92 5.534 7.125 -9.374 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.006 9.741 -7.851 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.689 8.165 -7.153 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.398 6.276 -7.562 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.241 10.391 -8.464 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.821 5.762 -7.647 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.663 9.868 -8.570 1.00 0.00 H new ATOM 0 HH TYR A 92 12.245 8.309 -8.386 1.00 0.00 H new ATOM 1305 N THR A 93 3.283 8.224 -8.632 1.00 0.00 N ATOM 1306 CA THR A 93 1.854 8.625 -8.676 1.00 0.00 C ATOM 1307 C THR A 93 1.323 8.687 -7.241 1.00 0.00 C ATOM 1308 O THR A 93 1.834 8.033 -6.350 1.00 0.00 O ATOM 1309 CB THR A 93 1.064 7.590 -9.487 1.00 0.00 C ATOM 1310 OG1 THR A 93 -0.175 8.152 -9.895 1.00 0.00 O ATOM 1311 CG2 THR A 93 0.806 6.343 -8.632 1.00 0.00 C ATOM 0 H THR A 93 3.508 7.541 -7.909 1.00 0.00 H new ATOM 0 HA THR A 93 1.745 9.601 -9.149 1.00 0.00 H new ATOM 0 HB THR A 93 1.642 7.307 -10.366 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.679 7.491 -10.415 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.245 5.612 -9.214 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.758 5.909 -8.325 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.232 6.620 -7.748 1.00 0.00 H new ATOM 1319 N THR A 94 0.304 9.465 -7.012 1.00 0.00 N ATOM 1320 CA THR A 94 -0.257 9.575 -5.635 1.00 0.00 C ATOM 1321 C THR A 94 -1.431 8.622 -5.480 1.00 0.00 C ATOM 1322 O THR A 94 -2.476 8.801 -6.073 1.00 0.00 O ATOM 1323 CB THR A 94 -0.725 11.011 -5.383 1.00 0.00 C ATOM 1324 OG1 THR A 94 0.354 11.906 -5.618 1.00 0.00 O ATOM 1325 CG2 THR A 94 -1.198 11.148 -3.935 1.00 0.00 C ATOM 0 H THR A 94 -0.166 10.031 -7.719 1.00 0.00 H new ATOM 0 HA THR A 94 0.516 9.314 -4.912 1.00 0.00 H new ATOM 0 HB THR A 94 -1.549 11.249 -6.056 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.056 12.826 -5.459 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.531 12.170 -3.756 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.025 10.461 -3.756 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.376 10.911 -3.260 1.00 0.00 H new ATOM 1333 N CYS A 95 -1.266 7.597 -4.692 1.00 0.00 N ATOM 1334 CA CYS A 95 -2.364 6.630 -4.510 1.00 0.00 C ATOM 1335 C CYS A 95 -2.724 6.531 -3.028 1.00 0.00 C ATOM 1336 O CYS A 95 -1.910 6.808 -2.153 1.00 0.00 O ATOM 1337 CB CYS A 95 -1.889 5.287 -5.014 1.00 0.00 C ATOM 1338 SG CYS A 95 -3.294 4.330 -5.626 1.00 0.00 S ATOM 0 H CYS A 95 -0.414 7.394 -4.169 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.249 6.950 -5.061 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.157 5.425 -5.810 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.389 4.744 -4.212 1.00 0.00 H new ATOM 1343 N THR A 96 -3.942 6.141 -2.744 1.00 0.00 N ATOM 1344 CA THR A 96 -4.383 6.023 -1.330 1.00 0.00 C ATOM 1345 C THR A 96 -5.030 4.652 -1.098 1.00 0.00 C ATOM 1346 O THR A 96 -5.799 4.168 -1.911 1.00 0.00 O ATOM 1347 CB THR A 96 -5.402 7.121 -1.023 1.00 0.00 C ATOM 1348 OG1 THR A 96 -4.946 8.356 -1.560 1.00 0.00 O ATOM 1349 CG2 THR A 96 -5.578 7.254 0.490 1.00 0.00 C ATOM 0 H THR A 96 -4.649 5.899 -3.438 1.00 0.00 H new ATOM 0 HA THR A 96 -3.518 6.128 -0.675 1.00 0.00 H new ATOM 0 HB THR A 96 -6.359 6.860 -1.474 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.600 9.059 -1.364 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.305 8.037 0.704 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.933 6.308 0.900 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.622 7.511 0.946 1.00 0.00 H new ATOM 1357 N PHE A 97 -4.726 4.029 0.010 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.308 2.700 0.326 1.00 0.00 C ATOM 1359 C PHE A 97 -6.184 2.822 1.570 1.00 0.00 C ATOM 1360 O PHE A 97 -5.786 3.409 2.557 1.00 0.00 O ATOM 1361 CB PHE A 97 -4.193 1.699 0.632 1.00 0.00 C ATOM 1362 CG PHE A 97 -3.061 1.781 -0.392 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -3.261 2.333 -1.672 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -1.792 1.281 -0.059 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -2.207 2.379 -2.585 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -0.751 1.329 -0.974 1.00 0.00 C ATOM 1367 CZ PHE A 97 -0.949 1.877 -2.236 1.00 0.00 C ATOM 0 H PHE A 97 -4.089 4.394 0.718 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.891 2.358 -0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.796 1.890 1.629 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.603 0.689 0.641 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.231 2.721 -1.947 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.625 0.855 0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.363 2.804 -3.565 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.219 0.938 -0.704 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.135 1.915 -2.944 1.00 0.00 H new ATOM 1377 N VAL A 98 -7.363 2.260 1.554 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.219 2.347 2.770 1.00 0.00 C ATOM 1379 C VAL A 98 -8.571 0.925 3.206 1.00 0.00 C ATOM 1380 O VAL A 98 -9.393 0.265 2.601 1.00 0.00 O ATOM 1381 CB VAL A 98 -9.483 3.143 2.451 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -10.558 2.861 3.504 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -9.152 4.636 2.446 1.00 0.00 C ATOM 0 H VAL A 98 -7.765 1.753 0.765 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.692 2.857 3.577 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.858 2.846 1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.456 3.432 3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.795 1.797 3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.189 3.152 4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.052 5.207 2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.774 4.928 3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.393 4.838 1.690 1.00 0.00 H new ATOM 1393 N VAL A 99 -7.924 0.427 4.226 1.00 0.00 N ATOM 1394 CA VAL A 99 -8.195 -0.970 4.661 1.00 0.00 C ATOM 1395 C VAL A 99 -8.991 -1.006 5.966 1.00 0.00 C ATOM 1396 O VAL A 99 -8.586 -0.467 6.971 1.00 0.00 O ATOM 1397 CB VAL A 99 -6.852 -1.708 4.846 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -6.882 -2.592 6.101 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -6.610 -2.574 3.620 1.00 0.00 C ATOM 0 H VAL A 99 -7.223 0.926 4.773 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.793 -1.462 3.894 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.052 -0.977 4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.925 -3.102 6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.065 -1.972 6.979 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.678 -3.331 6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.665 -3.105 3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.421 -3.295 3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.571 -1.944 2.731 1.00 0.00 H new ATOM 1409 N TYR A 100 -10.098 -1.684 5.970 1.00 0.00 N ATOM 1410 CA TYR A 100 -10.885 -1.788 7.225 1.00 0.00 C ATOM 1411 C TYR A 100 -10.530 -3.104 7.928 1.00 0.00 C ATOM 1412 O TYR A 100 -10.639 -4.171 7.352 1.00 0.00 O ATOM 1413 CB TYR A 100 -12.373 -1.762 6.897 1.00 0.00 C ATOM 1414 CG TYR A 100 -13.113 -1.071 8.012 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -13.377 -1.757 9.201 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -13.530 0.254 7.858 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -14.057 -1.117 10.239 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -14.210 0.897 8.896 1.00 0.00 C ATOM 1419 CZ TYR A 100 -14.475 0.212 10.088 1.00 0.00 C ATOM 1420 OH TYR A 100 -15.148 0.843 11.113 1.00 0.00 O ATOM 0 H TYR A 100 -10.492 -2.169 5.164 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.651 -0.949 7.880 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -12.541 -1.240 5.955 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -12.748 -2.778 6.770 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -13.055 -2.781 9.317 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -13.327 0.781 6.937 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -14.261 -1.646 11.158 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -14.531 1.922 8.779 1.00 0.00 H new ATOM 0 HH TYR A 100 -15.832 0.242 11.474 1.00 0.00 H new ATOM 1430 N SER A 101 -10.096 -3.050 9.164 1.00 0.00 N ATOM 1431 CA SER A 101 -9.733 -4.299 9.881 1.00 0.00 C ATOM 1432 C SER A 101 -10.615 -4.432 11.138 1.00 0.00 C ATOM 1433 O SER A 101 -10.666 -3.542 11.974 1.00 0.00 O ATOM 1434 CB SER A 101 -8.261 -4.234 10.266 1.00 0.00 C ATOM 1435 OG SER A 101 -7.643 -5.479 10.006 1.00 0.00 O ATOM 0 H SER A 101 -9.980 -2.192 9.702 1.00 0.00 H new ATOM 0 HA SER A 101 -9.896 -5.168 9.243 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.763 -3.445 9.702 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.162 -3.982 11.322 1.00 0.00 H new ATOM 0 HG SER A 101 -8.177 -6.199 10.403 1.00 0.00 H new ATOM 1441 N ILE A 102 -11.318 -5.536 11.261 1.00 0.00 N ATOM 1442 CA ILE A 102 -12.208 -5.767 12.446 1.00 0.00 C ATOM 1443 C ILE A 102 -11.489 -6.747 13.397 1.00 0.00 C ATOM 1444 O ILE A 102 -11.340 -7.907 13.072 1.00 0.00 O ATOM 1445 CB ILE A 102 -13.520 -6.394 11.957 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -13.873 -5.810 10.580 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -14.643 -6.081 12.952 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -15.352 -6.048 10.270 1.00 0.00 C ATOM 0 H ILE A 102 -11.312 -6.296 10.581 1.00 0.00 H new ATOM 0 HA ILE A 102 -12.422 -4.832 12.964 1.00 0.00 H new ATOM 0 HB ILE A 102 -13.403 -7.475 11.879 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -13.658 -4.742 10.564 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -13.254 -6.272 9.811 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -15.574 -6.527 12.602 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -14.388 -6.491 13.929 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -14.767 -5.001 13.033 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -15.591 -5.630 9.292 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -15.555 -7.119 10.266 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -15.965 -5.565 11.031 1.00 0.00 H new ATOM 1460 N PRO A 103 -11.035 -6.254 14.529 1.00 0.00 N ATOM 1461 CA PRO A 103 -10.281 -7.072 15.545 1.00 0.00 C ATOM 1462 C PRO A 103 -11.124 -8.195 16.173 1.00 0.00 C ATOM 1463 O PRO A 103 -10.741 -9.347 16.131 1.00 0.00 O ATOM 1464 CB PRO A 103 -9.864 -6.038 16.585 1.00 0.00 C ATOM 1465 CG PRO A 103 -10.822 -4.870 16.437 1.00 0.00 C ATOM 1466 CD PRO A 103 -11.210 -4.827 14.960 1.00 0.00 C ATOM 0 HA PRO A 103 -9.442 -7.603 15.095 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.914 -6.456 17.590 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.834 -5.719 16.424 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -11.701 -5.004 17.067 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -10.350 -3.937 16.743 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -12.236 -4.485 14.821 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -10.569 -4.152 14.393 1.00 0.00 H new ATOM 1474 N TRP A 104 -12.237 -7.894 16.785 1.00 0.00 N ATOM 1475 CA TRP A 104 -13.034 -8.991 17.423 1.00 0.00 C ATOM 1476 C TRP A 104 -13.385 -10.085 16.400 1.00 0.00 C ATOM 1477 O TRP A 104 -13.862 -11.141 16.763 1.00 0.00 O ATOM 1478 CB TRP A 104 -14.332 -8.426 18.027 1.00 0.00 C ATOM 1479 CG TRP A 104 -15.244 -7.940 16.943 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -16.078 -8.715 16.205 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -15.442 -6.578 16.478 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -16.753 -7.915 15.303 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -16.395 -6.589 15.433 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -14.883 -5.343 16.852 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -16.780 -5.419 14.782 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -15.272 -4.164 16.201 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -16.216 -4.202 15.168 1.00 0.00 C ATOM 0 H TRP A 104 -12.627 -6.956 16.873 1.00 0.00 H new ATOM 0 HA TRP A 104 -12.424 -9.430 18.213 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -14.833 -9.196 18.614 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -14.098 -7.608 18.708 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.195 -9.784 16.306 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.432 -8.262 14.625 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -14.150 -5.303 17.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -17.509 -5.453 13.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -14.840 -3.220 16.498 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -16.508 -3.289 14.670 1.00 0.00 H new ATOM 1498 N LEU A 105 -13.198 -9.840 15.128 1.00 0.00 N ATOM 1499 CA LEU A 105 -13.565 -10.837 14.110 1.00 0.00 C ATOM 1500 C LEU A 105 -12.423 -11.027 13.110 1.00 0.00 C ATOM 1501 O LEU A 105 -12.593 -11.658 12.087 1.00 0.00 O ATOM 1502 CB LEU A 105 -14.745 -10.241 13.402 1.00 0.00 C ATOM 1503 CG LEU A 105 -15.983 -11.138 13.440 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -15.934 -12.137 12.283 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -16.068 -11.893 14.770 1.00 0.00 C ATOM 0 H LEU A 105 -12.800 -8.976 14.759 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.779 -11.809 14.554 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -14.986 -9.280 13.856 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -14.477 -10.045 12.364 1.00 0.00 H new ATOM 0 HG LEU A 105 -16.867 -10.508 13.342 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -16.818 -12.774 12.314 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -15.909 -11.597 11.337 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -15.040 -12.753 12.372 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -16.956 -12.524 14.774 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -15.181 -12.514 14.893 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -16.127 -11.178 15.591 1.00 0.00 H new ATOM 1517 N ASN A 106 -11.265 -10.491 13.404 1.00 0.00 N ATOM 1518 CA ASN A 106 -10.099 -10.628 12.489 1.00 0.00 C ATOM 1519 C ASN A 106 -10.564 -10.659 11.035 1.00 0.00 C ATOM 1520 O ASN A 106 -10.244 -11.558 10.282 1.00 0.00 O ATOM 1521 CB ASN A 106 -9.361 -11.904 12.845 1.00 0.00 C ATOM 1522 CG ASN A 106 -7.932 -11.844 12.303 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -6.948 -11.588 13.121 1.00 0.00 O flip ATOM 1524 ND2 ASN A 106 -7.709 -12.032 11.125 1.00 0.00 N flip ATOM 0 H ASN A 106 -11.079 -9.957 14.253 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.432 -9.774 12.603 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.344 -12.036 13.927 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -9.882 -12.765 12.427 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -8.478 -12.232 10.486 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.752 -11.990 10.774 1.00 0.00 H new ATOM 1531 N GLN A 107 -11.324 -9.678 10.646 1.00 0.00 N ATOM 1532 CA GLN A 107 -11.830 -9.625 9.246 1.00 0.00 C ATOM 1533 C GLN A 107 -11.284 -8.376 8.550 1.00 0.00 C ATOM 1534 O GLN A 107 -11.723 -7.271 8.797 1.00 0.00 O ATOM 1535 CB GLN A 107 -13.360 -9.571 9.260 1.00 0.00 C ATOM 1536 CG GLN A 107 -13.914 -10.583 8.252 1.00 0.00 C ATOM 1537 CD GLN A 107 -14.833 -9.866 7.262 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -14.597 -9.887 6.071 1.00 0.00 O ATOM 1539 NE2 GLN A 107 -15.881 -9.227 7.708 1.00 0.00 N ATOM 0 H GLN A 107 -11.620 -8.904 11.241 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.500 -10.514 8.708 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.734 -9.795 10.259 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.702 -8.567 9.009 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.095 -11.067 7.720 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.464 -11.367 8.773 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -16.080 -9.209 8.708 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.501 -8.746 7.056 1.00 0.00 H new ATOM 1548 N ILE A 108 -10.328 -8.549 7.679 1.00 0.00 N ATOM 1549 CA ILE A 108 -9.749 -7.383 6.957 1.00 0.00 C ATOM 1550 C ILE A 108 -10.427 -7.270 5.587 1.00 0.00 C ATOM 1551 O ILE A 108 -10.814 -8.258 4.995 1.00 0.00 O ATOM 1552 CB ILE A 108 -8.230 -7.608 6.811 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -7.479 -6.637 7.723 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -7.768 -7.426 5.356 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -6.032 -6.451 7.252 1.00 0.00 C ATOM 0 H ILE A 108 -9.922 -9.452 7.436 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.916 -6.455 7.503 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.009 -8.635 7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -7.989 -5.674 7.733 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.487 -7.013 8.746 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.693 -7.592 5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.285 -8.143 4.718 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -7.999 -6.413 5.025 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -5.519 -5.756 7.917 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -5.518 -7.412 7.266 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.028 -6.052 6.238 1.00 0.00 H new ATOM 1567 N LYS A 109 -10.574 -6.079 5.078 1.00 0.00 N ATOM 1568 CA LYS A 109 -11.228 -5.929 3.747 1.00 0.00 C ATOM 1569 C LYS A 109 -10.722 -4.663 3.055 1.00 0.00 C ATOM 1570 O LYS A 109 -10.762 -3.579 3.607 1.00 0.00 O ATOM 1571 CB LYS A 109 -12.742 -5.837 3.931 1.00 0.00 C ATOM 1572 CG LYS A 109 -13.425 -5.927 2.565 1.00 0.00 C ATOM 1573 CD LYS A 109 -14.786 -5.230 2.625 1.00 0.00 C ATOM 1574 CE LYS A 109 -15.803 -6.025 1.805 1.00 0.00 C ATOM 1575 NZ LYS A 109 -17.152 -5.900 2.428 1.00 0.00 N ATOM 0 H LYS A 109 -10.273 -5.210 5.520 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.985 -6.795 3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.091 -6.642 4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.004 -4.899 4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.800 -5.461 1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.552 -6.971 2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.120 -5.150 3.659 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.704 -4.215 2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.829 -5.655 0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.508 -7.073 1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.843 -6.441 1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -17.122 -6.273 3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -17.433 -4.899 2.451 1.00 0.00 H new ATOM 1589 N LEU A 110 -10.256 -4.791 1.841 1.00 0.00 N ATOM 1590 CA LEU A 110 -9.763 -3.599 1.101 1.00 0.00 C ATOM 1591 C LEU A 110 -10.948 -2.707 0.762 1.00 0.00 C ATOM 1592 O LEU A 110 -12.083 -3.138 0.781 1.00 0.00 O ATOM 1593 CB LEU A 110 -9.058 -4.042 -0.179 1.00 0.00 C ATOM 1594 CG LEU A 110 -7.795 -3.205 -0.381 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -6.996 -3.140 0.921 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -6.936 -3.854 -1.456 1.00 0.00 C ATOM 0 H LEU A 110 -10.197 -5.673 1.331 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.054 -3.046 1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.800 -5.099 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.725 -3.925 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.078 -2.196 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.098 -2.542 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.607 -2.684 1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.713 -4.148 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.033 -3.263 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.662 -4.862 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.497 -3.903 -2.389 1.00 0.00 H new ATOM 1608 N LEU A 111 -10.707 -1.463 0.467 1.00 0.00 N ATOM 1609 CA LEU A 111 -11.850 -0.565 0.151 1.00 0.00 C ATOM 1610 C LEU A 111 -11.406 0.547 -0.785 1.00 0.00 C ATOM 1611 O LEU A 111 -11.557 0.468 -1.989 1.00 0.00 O ATOM 1612 CB LEU A 111 -12.380 0.052 1.447 1.00 0.00 C ATOM 1613 CG LEU A 111 -13.440 -0.869 2.059 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -12.801 -1.725 3.156 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -14.563 -0.024 2.664 1.00 0.00 C ATOM 0 H LEU A 111 -9.783 -1.033 0.431 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.633 -1.147 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.562 0.200 2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.809 1.033 1.245 1.00 0.00 H new ATOM 0 HG LEU A 111 -13.849 -1.516 1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -13.555 -2.380 3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.000 -2.328 2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -12.392 -1.077 3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -15.317 -0.679 3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.154 0.624 3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -15.019 0.587 1.885 1.00 0.00 H new ATOM 1627 N GLU A 112 -10.876 1.591 -0.235 1.00 0.00 N ATOM 1628 CA GLU A 112 -10.433 2.734 -1.087 1.00 0.00 C ATOM 1629 C GLU A 112 -8.980 2.541 -1.518 1.00 0.00 C ATOM 1630 O GLU A 112 -8.105 3.309 -1.168 1.00 0.00 O ATOM 1631 CB GLU A 112 -10.574 4.049 -0.318 1.00 0.00 C ATOM 1632 CG GLU A 112 -11.237 5.095 -1.215 1.00 0.00 C ATOM 1633 CD GLU A 112 -10.365 6.352 -1.266 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -9.154 6.208 -1.287 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -10.924 7.436 -1.284 1.00 0.00 O ATOM 0 H GLU A 112 -10.727 1.711 0.767 1.00 0.00 H new ATOM 0 HA GLU A 112 -11.064 2.770 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.170 3.895 0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -9.594 4.400 0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -11.374 4.694 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.227 5.342 -0.833 1.00 0.00 H new ATOM 1642 N SER A 113 -8.727 1.532 -2.301 1.00 0.00 N ATOM 1643 CA SER A 113 -7.345 1.288 -2.795 1.00 0.00 C ATOM 1644 C SER A 113 -7.282 1.745 -4.250 1.00 0.00 C ATOM 1645 O SER A 113 -7.487 0.970 -5.164 1.00 0.00 O ATOM 1646 CB SER A 113 -7.025 -0.207 -2.710 1.00 0.00 C ATOM 1647 OG SER A 113 -8.169 -0.957 -3.087 1.00 0.00 O ATOM 0 H SER A 113 -9.424 0.860 -2.623 1.00 0.00 H new ATOM 0 HA SER A 113 -6.621 1.835 -2.191 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.187 -0.448 -3.364 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.723 -0.468 -1.696 1.00 0.00 H new ATOM 0 HG SER A 113 -8.480 -0.659 -3.967 1.00 0.00 H new ATOM 1653 N LYS A 114 -7.022 3.003 -4.477 1.00 0.00 N ATOM 1654 CA LYS A 114 -6.972 3.505 -5.878 1.00 0.00 C ATOM 1655 C LYS A 114 -6.212 4.825 -5.912 1.00 0.00 C ATOM 1656 O LYS A 114 -5.946 5.422 -4.892 1.00 0.00 O ATOM 1657 CB LYS A 114 -8.397 3.722 -6.392 1.00 0.00 C ATOM 1658 CG LYS A 114 -8.512 3.176 -7.817 1.00 0.00 C ATOM 1659 CD LYS A 114 -9.951 2.725 -8.076 1.00 0.00 C ATOM 1660 CE LYS A 114 -10.580 3.614 -9.149 1.00 0.00 C ATOM 1661 NZ LYS A 114 -12.050 3.700 -8.925 1.00 0.00 N ATOM 0 H LYS A 114 -6.843 3.702 -3.756 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.466 2.776 -6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.111 3.220 -5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.643 4.784 -6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.225 3.943 -8.536 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.827 2.339 -7.954 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.964 1.684 -8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -10.532 2.782 -7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -10.138 4.610 -9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -10.376 3.207 -10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -12.478 4.305 -9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -12.465 2.748 -8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -12.235 4.107 -7.986 1.00 0.00 H new ATOM 1675 N CYS A 115 -5.847 5.280 -7.075 1.00 0.00 N ATOM 1676 CA CYS A 115 -5.083 6.557 -7.160 1.00 0.00 C ATOM 1677 C CYS A 115 -5.895 7.597 -7.929 1.00 0.00 C ATOM 1678 O CYS A 115 -6.777 7.271 -8.699 1.00 0.00 O ATOM 1679 CB CYS A 115 -3.752 6.312 -7.880 1.00 0.00 C ATOM 1680 SG CYS A 115 -3.217 4.597 -7.631 1.00 0.00 S ATOM 0 H CYS A 115 -6.042 4.827 -7.968 1.00 0.00 H new ATOM 0 HA CYS A 115 -4.889 6.926 -6.153 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -3.863 6.516 -8.945 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -2.993 6.997 -7.501 1.00 0.00 H new ATOM 1685 N GLN A 116 -5.600 8.852 -7.727 1.00 0.00 N ATOM 1686 CA GLN A 116 -6.348 9.922 -8.443 1.00 0.00 C ATOM 1687 C GLN A 116 -5.705 10.168 -9.810 1.00 0.00 C ATOM 1688 CB GLN A 116 -6.305 11.210 -7.620 1.00 0.00 C ATOM 1689 CG GLN A 116 -7.092 12.306 -8.343 1.00 0.00 C ATOM 1690 CD GLN A 116 -8.514 12.366 -7.782 1.00 0.00 C ATOM 1691 OE1 GLN A 116 -8.708 12.351 -6.583 1.00 0.00 O ATOM 1692 NE2 GLN A 116 -9.525 12.435 -8.605 1.00 0.00 N ATOM 0 H GLN A 116 -4.871 9.183 -7.095 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.384 9.612 -8.580 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -6.729 11.036 -6.631 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -5.272 11.526 -7.473 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -6.598 13.269 -8.214 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -7.120 12.103 -9.414 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -9.363 12.448 -9.612 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -10.477 12.476 -8.241 1.00 0.00 H new