USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 645 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00134 USER MOD Single : A 11 GLN : amide:sc= -0.787 X(o=-0.79,f=-0.29) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.25 K(o=-0.25,f=-2.4!) USER MOD Single : A 22 GLN : amide:sc= -1.78 K(o=-1.8,f=-2.6!) USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0091 (180deg=-0.125) USER MOD Single : A 25 ASN :FLIP amide:sc= 1.18 F(o=-0.17,f=1.2) USER MOD Single : A 28 GLN : amide:sc=-0.000615 X(o=-0.00061,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.344 K(o=-0.34,f=-1.3) USER MOD Single : A 34 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.28) USER MOD Single : A 36 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.6!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 42:sc= 0.464 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.183 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -109:sc= 0.109 USER MOD Single : A 51 HIS :FLIP no HE2:sc= -2.86 F(o=-4.6!,f=-2.9) USER MOD Single : A 58 ASN : amide:sc= -7.61! C(o=-7.6!,f=-8.7!) USER MOD Single : A 60 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.8!) USER MOD Single : A 63 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.309) USER MOD Single : A 68 SER OG : rot -73:sc= 0.884 USER MOD Single : A 69 GLN : amide:sc= -2.63 K(o=-2.6,f=-4.4!) USER MOD Single : A 73 TYR OH : rot -86:sc= 0.8 USER MOD Single : A 74 SER OG : rot 34:sc= 0.633 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.730 -28.694 17.194 1.00 0.00 N ATOM 2 CA MET A 1 21.196 -27.332 16.994 1.00 0.00 C ATOM 3 C MET A 1 20.065 -26.326 17.223 1.00 0.00 C ATOM 4 O MET A 1 20.049 -25.625 18.233 1.00 0.00 O ATOM 5 CB MET A 1 21.734 -27.181 15.570 1.00 0.00 C ATOM 6 CG MET A 1 22.259 -25.763 15.330 1.00 0.00 C ATOM 7 SD MET A 1 24.039 -25.787 15.200 1.00 0.00 S ATOM 8 CE MET A 1 24.326 -24.135 14.586 1.00 0.00 C ATOM 0 H1 MET A 1 21.515 -29.357 17.033 1.00 0.00 H new ATOM 0 H2 MET A 1 20.380 -28.802 18.167 1.00 0.00 H new ATOM 0 H3 MET A 1 19.961 -28.899 16.525 1.00 0.00 H new ATOM 0 HA MET A 1 21.988 -27.129 17.715 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.534 -27.902 15.401 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.944 -27.407 14.853 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.825 -25.355 14.417 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.954 -25.110 16.148 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.396 -23.979 14.447 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.814 -24.007 13.632 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.944 -23.409 15.303 1.00 0.00 H new ATOM 18 N ARG A 2 19.148 -26.289 16.268 1.00 0.00 N ATOM 19 CA ARG A 2 18.017 -25.381 16.353 1.00 0.00 C ATOM 20 C ARG A 2 17.223 -25.399 15.045 1.00 0.00 C ATOM 21 O ARG A 2 17.530 -26.172 14.138 1.00 0.00 O ATOM 22 CB ARG A 2 18.478 -23.951 16.642 1.00 0.00 C ATOM 23 CG ARG A 2 19.609 -23.538 15.696 1.00 0.00 C ATOM 24 CD ARG A 2 20.627 -22.651 16.413 1.00 0.00 C ATOM 25 NE ARG A 2 21.061 -21.553 15.519 1.00 0.00 N ATOM 26 CZ ARG A 2 22.151 -20.801 15.728 1.00 0.00 C ATOM 27 NH1 ARG A 2 22.923 -21.023 16.800 1.00 0.00 N ATOM 28 NH2 ARG A 2 22.467 -19.827 14.864 1.00 0.00 N ATOM 0 H ARG A 2 19.165 -26.873 15.432 1.00 0.00 H new ATOM 0 HA ARG A 2 17.382 -25.718 17.173 1.00 0.00 H new ATOM 0 HB2 ARG A 2 17.638 -23.265 16.532 1.00 0.00 H new ATOM 0 HB3 ARG A 2 18.817 -23.876 17.675 1.00 0.00 H new ATOM 0 HG2 ARG A 2 20.106 -24.427 15.308 1.00 0.00 H new ATOM 0 HG3 ARG A 2 19.195 -23.004 14.840 1.00 0.00 H new ATOM 0 HD2 ARG A 2 20.187 -22.239 17.321 1.00 0.00 H new ATOM 0 HD3 ARG A 2 21.489 -23.245 16.718 1.00 0.00 H new ATOM 0 HE ARG A 2 20.496 -21.357 14.693 1.00 0.00 H new ATOM 0 HH11 ARG A 2 22.682 -21.764 17.458 1.00 0.00 H new ATOM 0 HH12 ARG A 2 23.752 -20.451 16.959 1.00 0.00 H new ATOM 0 HH21 ARG A 2 21.878 -19.658 14.048 1.00 0.00 H new ATOM 0 HH22 ARG A 2 23.296 -19.254 15.022 1.00 0.00 H new ATOM 42 N SER A 3 16.217 -24.538 14.989 1.00 0.00 N ATOM 43 CA SER A 3 15.377 -24.444 13.807 1.00 0.00 C ATOM 44 C SER A 3 15.620 -23.112 13.096 1.00 0.00 C ATOM 45 O SER A 3 16.495 -22.344 13.492 1.00 0.00 O ATOM 46 CB SER A 3 13.898 -24.591 14.170 1.00 0.00 C ATOM 47 OG SER A 3 13.513 -23.699 15.212 1.00 0.00 O ATOM 0 H SER A 3 15.965 -23.899 15.743 1.00 0.00 H new ATOM 0 HA SER A 3 15.641 -25.260 13.134 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.287 -24.402 13.287 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.701 -25.617 14.480 1.00 0.00 H new ATOM 0 HG SER A 3 12.562 -23.822 15.413 1.00 0.00 H new ATOM 53 N LEU A 4 14.830 -22.879 12.058 1.00 0.00 N ATOM 54 CA LEU A 4 14.948 -21.652 11.288 1.00 0.00 C ATOM 55 C LEU A 4 13.728 -20.769 11.552 1.00 0.00 C ATOM 56 O LEU A 4 12.614 -21.272 11.699 1.00 0.00 O ATOM 57 CB LEU A 4 15.169 -21.969 9.807 1.00 0.00 C ATOM 58 CG LEU A 4 16.276 -22.978 9.495 1.00 0.00 C ATOM 59 CD1 LEU A 4 16.214 -23.425 8.033 1.00 0.00 C ATOM 60 CD2 LEU A 4 17.650 -22.417 9.865 1.00 0.00 C ATOM 0 H LEU A 4 14.106 -23.519 11.732 1.00 0.00 H new ATOM 0 HA LEU A 4 15.825 -21.087 11.604 1.00 0.00 H new ATOM 0 HB2 LEU A 4 14.234 -22.346 9.393 1.00 0.00 H new ATOM 0 HB3 LEU A 4 15.396 -21.038 9.287 1.00 0.00 H new ATOM 0 HG LEU A 4 16.114 -23.863 10.110 1.00 0.00 H new ATOM 0 HD11 LEU A 4 17.011 -24.142 7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 4 15.249 -23.893 7.836 1.00 0.00 H new ATOM 0 HD13 LEU A 4 16.337 -22.559 7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 4 18.419 -23.154 9.633 1.00 0.00 H new ATOM 0 HD22 LEU A 4 17.837 -21.507 9.295 1.00 0.00 H new ATOM 0 HD23 LEU A 4 17.675 -22.190 10.931 1.00 0.00 H new ATOM 72 N GLU A 5 13.977 -19.469 11.605 1.00 0.00 N ATOM 73 CA GLU A 5 12.912 -18.512 11.849 1.00 0.00 C ATOM 74 C GLU A 5 12.731 -17.597 10.636 1.00 0.00 C ATOM 75 O GLU A 5 13.699 -17.029 10.133 1.00 0.00 O ATOM 76 CB GLU A 5 13.187 -17.696 13.114 1.00 0.00 C ATOM 77 CG GLU A 5 11.893 -17.104 13.678 1.00 0.00 C ATOM 78 CD GLU A 5 11.163 -18.122 14.556 1.00 0.00 C ATOM 79 OE1 GLU A 5 11.615 -18.308 15.707 1.00 0.00 O ATOM 80 OE2 GLU A 5 10.168 -18.692 14.058 1.00 0.00 O ATOM 0 H GLU A 5 14.902 -19.056 11.483 1.00 0.00 H new ATOM 0 HA GLU A 5 11.985 -19.063 12.005 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.658 -18.330 13.865 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.890 -16.894 12.888 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.121 -16.212 14.261 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.244 -16.792 12.859 1.00 0.00 H new ATOM 87 N THR A 6 11.485 -17.485 10.200 1.00 0.00 N ATOM 88 CA THR A 6 11.165 -16.650 9.056 1.00 0.00 C ATOM 89 C THR A 6 10.470 -15.364 9.510 1.00 0.00 C ATOM 90 O THR A 6 10.085 -15.240 10.672 1.00 0.00 O ATOM 91 CB THR A 6 10.328 -17.481 8.082 1.00 0.00 C ATOM 92 OG1 THR A 6 9.161 -17.818 8.828 1.00 0.00 O ATOM 93 CG2 THR A 6 10.970 -18.833 7.764 1.00 0.00 C ATOM 0 H THR A 6 10.685 -17.959 10.619 1.00 0.00 H new ATOM 0 HA THR A 6 12.068 -16.328 8.538 1.00 0.00 H new ATOM 0 HB THR A 6 10.184 -16.921 7.158 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.561 -18.357 8.271 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.335 -19.383 7.069 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.949 -18.674 7.313 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.083 -19.407 8.683 1.00 0.00 H new ATOM 101 N PHE A 7 10.331 -14.440 8.571 1.00 0.00 N ATOM 102 CA PHE A 7 9.690 -13.169 8.860 1.00 0.00 C ATOM 103 C PHE A 7 9.368 -12.411 7.571 1.00 0.00 C ATOM 104 O PHE A 7 9.574 -12.929 6.474 1.00 0.00 O ATOM 105 CB PHE A 7 10.679 -12.347 9.688 1.00 0.00 C ATOM 106 CG PHE A 7 10.757 -12.762 11.158 1.00 0.00 C ATOM 107 CD1 PHE A 7 9.686 -12.574 11.975 1.00 0.00 C ATOM 108 CD2 PHE A 7 11.897 -13.319 11.649 1.00 0.00 C ATOM 109 CE1 PHE A 7 9.757 -12.959 13.340 1.00 0.00 C ATOM 110 CE2 PHE A 7 11.968 -13.705 13.014 1.00 0.00 C ATOM 111 CZ PHE A 7 10.897 -13.517 13.830 1.00 0.00 C ATOM 0 H PHE A 7 10.652 -14.547 7.609 1.00 0.00 H new ATOM 0 HA PHE A 7 8.754 -13.337 9.393 1.00 0.00 H new ATOM 0 HB2 PHE A 7 11.670 -12.435 9.243 1.00 0.00 H new ATOM 0 HB3 PHE A 7 10.397 -11.296 9.633 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.781 -12.132 11.585 1.00 0.00 H new ATOM 0 HD2 PHE A 7 12.748 -13.468 11.001 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.907 -12.809 13.989 1.00 0.00 H new ATOM 0 HE2 PHE A 7 12.873 -14.148 13.404 1.00 0.00 H new ATOM 0 HZ PHE A 7 10.951 -13.811 14.868 1.00 0.00 H new ATOM 121 N VAL A 8 8.867 -11.197 7.745 1.00 0.00 N ATOM 122 CA VAL A 8 8.515 -10.362 6.609 1.00 0.00 C ATOM 123 C VAL A 8 8.745 -8.893 6.970 1.00 0.00 C ATOM 124 O VAL A 8 8.859 -8.550 8.145 1.00 0.00 O ATOM 125 CB VAL A 8 7.077 -10.653 6.173 1.00 0.00 C ATOM 126 CG1 VAL A 8 6.864 -10.278 4.705 1.00 0.00 C ATOM 127 CG2 VAL A 8 6.713 -12.117 6.425 1.00 0.00 C ATOM 0 H VAL A 8 8.696 -10.771 8.656 1.00 0.00 H new ATOM 0 HA VAL A 8 9.153 -10.590 5.755 1.00 0.00 H new ATOM 0 HB VAL A 8 6.412 -10.035 6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.834 -10.494 4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.063 -9.215 4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.543 -10.857 4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.686 -12.297 6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.386 -12.762 5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.807 -12.337 7.488 1.00 0.00 H new ATOM 137 N GLY A 9 8.806 -8.067 5.936 1.00 0.00 N ATOM 138 CA GLY A 9 9.022 -6.642 6.130 1.00 0.00 C ATOM 139 C GLY A 9 8.044 -5.821 5.287 1.00 0.00 C ATOM 140 O GLY A 9 8.457 -4.940 4.534 1.00 0.00 O ATOM 0 H GLY A 9 8.710 -8.356 4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.899 -6.392 7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.046 -6.385 5.859 1.00 0.00 H new ATOM 144 N ASP A 10 6.767 -6.139 5.442 1.00 0.00 N ATOM 145 CA ASP A 10 5.727 -5.442 4.705 1.00 0.00 C ATOM 146 C ASP A 10 5.489 -4.071 5.342 1.00 0.00 C ATOM 147 O ASP A 10 6.197 -3.681 6.268 1.00 0.00 O ATOM 148 CB ASP A 10 4.409 -6.217 4.744 1.00 0.00 C ATOM 149 CG ASP A 10 4.212 -7.215 3.601 1.00 0.00 C ATOM 150 OD1 ASP A 10 4.856 -8.285 3.664 1.00 0.00 O ATOM 151 OD2 ASP A 10 3.421 -6.886 2.691 1.00 0.00 O ATOM 0 H ASP A 10 6.429 -6.870 6.067 1.00 0.00 H new ATOM 0 HA ASP A 10 6.056 -5.343 3.670 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.349 -6.755 5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.585 -5.504 4.730 1.00 0.00 H new ATOM 156 N GLN A 11 4.487 -3.378 4.819 1.00 0.00 N ATOM 157 CA GLN A 11 4.147 -2.059 5.325 1.00 0.00 C ATOM 158 C GLN A 11 2.821 -1.587 4.724 1.00 0.00 C ATOM 159 O GLN A 11 2.633 -1.636 3.509 1.00 0.00 O ATOM 160 CB GLN A 11 5.266 -1.056 5.039 1.00 0.00 C ATOM 161 CG GLN A 11 5.189 0.138 5.994 1.00 0.00 C ATOM 162 CD GLN A 11 6.073 1.287 5.506 1.00 0.00 C ATOM 163 OE1 GLN A 11 5.659 2.143 4.742 1.00 0.00 O ATOM 164 NE2 GLN A 11 7.312 1.259 5.989 1.00 0.00 N ATOM 0 H GLN A 11 3.901 -3.705 4.051 1.00 0.00 H new ATOM 0 HA GLN A 11 4.031 -2.125 6.407 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.234 -1.547 5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.193 -0.708 4.009 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.156 0.478 6.075 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.503 -0.169 6.992 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.595 0.514 6.625 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.979 1.983 5.723 1.00 0.00 H new ATOM 173 N VAL A 12 1.936 -1.140 5.603 1.00 0.00 N ATOM 174 CA VAL A 12 0.634 -0.659 5.174 1.00 0.00 C ATOM 175 C VAL A 12 0.729 0.832 4.841 1.00 0.00 C ATOM 176 O VAL A 12 1.735 1.474 5.137 1.00 0.00 O ATOM 177 CB VAL A 12 -0.416 -0.965 6.245 1.00 0.00 C ATOM 178 CG1 VAL A 12 -1.792 -1.189 5.615 1.00 0.00 C ATOM 179 CG2 VAL A 12 0.002 -2.169 7.092 1.00 0.00 C ATOM 0 H VAL A 12 2.095 -1.101 6.610 1.00 0.00 H new ATOM 0 HA VAL A 12 0.317 -1.175 4.268 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.486 -0.099 6.904 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.520 -1.405 6.397 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.095 -0.292 5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.743 -2.030 4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.760 -2.366 7.846 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.113 -3.044 6.451 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.951 -1.956 7.583 1.00 0.00 H new ATOM 189 N LEU A 13 -0.332 1.338 4.230 1.00 0.00 N ATOM 190 CA LEU A 13 -0.380 2.741 3.854 1.00 0.00 C ATOM 191 C LEU A 13 -1.840 3.180 3.727 1.00 0.00 C ATOM 192 O LEU A 13 -2.695 2.396 3.320 1.00 0.00 O ATOM 193 CB LEU A 13 0.447 2.985 2.589 1.00 0.00 C ATOM 194 CG LEU A 13 -0.234 2.635 1.264 1.00 0.00 C ATOM 195 CD1 LEU A 13 -0.546 3.897 0.458 1.00 0.00 C ATOM 196 CD2 LEU A 13 0.606 1.637 0.464 1.00 0.00 C ATOM 0 H LEU A 13 -1.165 0.802 3.986 1.00 0.00 H new ATOM 0 HA LEU A 13 0.074 3.359 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.731 4.037 2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.369 2.408 2.664 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.185 2.151 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.030 3.620 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.211 4.541 1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.380 4.431 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.100 1.405 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.583 2.072 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.734 0.723 1.043 1.00 0.00 H new ATOM 208 N GLU A 14 -2.080 4.433 4.085 1.00 0.00 N ATOM 209 CA GLU A 14 -3.422 4.987 4.017 1.00 0.00 C ATOM 210 C GLU A 14 -3.597 5.799 2.732 1.00 0.00 C ATOM 211 O GLU A 14 -2.876 6.768 2.503 1.00 0.00 O ATOM 212 CB GLU A 14 -3.726 5.841 5.250 1.00 0.00 C ATOM 213 CG GLU A 14 -2.960 5.330 6.472 1.00 0.00 C ATOM 214 CD GLU A 14 -3.444 6.019 7.750 1.00 0.00 C ATOM 215 OE1 GLU A 14 -3.145 7.224 7.893 1.00 0.00 O ATOM 216 OE2 GLU A 14 -4.103 5.324 8.554 1.00 0.00 O ATOM 0 H GLU A 14 -1.368 5.080 4.423 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.134 4.162 4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.455 6.879 5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.797 5.824 5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.092 4.252 6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.893 5.511 6.339 1.00 0.00 H new ATOM 223 N ILE A 15 -4.559 5.373 1.927 1.00 0.00 N ATOM 224 CA ILE A 15 -4.838 6.047 0.671 1.00 0.00 C ATOM 225 C ILE A 15 -6.190 6.755 0.767 1.00 0.00 C ATOM 226 O ILE A 15 -7.119 6.247 1.392 1.00 0.00 O ATOM 227 CB ILE A 15 -4.740 5.066 -0.498 1.00 0.00 C ATOM 228 CG1 ILE A 15 -3.411 4.307 -0.467 1.00 0.00 C ATOM 229 CG2 ILE A 15 -4.961 5.779 -1.834 1.00 0.00 C ATOM 230 CD1 ILE A 15 -3.479 3.047 -1.332 1.00 0.00 C ATOM 0 H ILE A 15 -5.155 4.569 2.121 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.088 6.814 0.476 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.536 4.329 -0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.610 4.954 -0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.167 4.035 0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.886 5.058 -2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.951 6.235 -1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.204 6.552 -1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.522 2.526 -1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.265 2.391 -0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.699 3.325 -2.363 1.00 0.00 H new ATOM 242 N VAL A 16 -6.259 7.920 0.138 1.00 0.00 N ATOM 243 CA VAL A 16 -7.482 8.703 0.144 1.00 0.00 C ATOM 244 C VAL A 16 -7.806 9.149 -1.284 1.00 0.00 C ATOM 245 O VAL A 16 -7.282 10.156 -1.757 1.00 0.00 O ATOM 246 CB VAL A 16 -7.349 9.874 1.120 1.00 0.00 C ATOM 247 CG1 VAL A 16 -8.638 10.696 1.170 1.00 0.00 C ATOM 248 CG2 VAL A 16 -6.957 9.383 2.515 1.00 0.00 C ATOM 0 H VAL A 16 -5.487 8.340 -0.379 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.319 8.099 0.493 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.552 10.523 0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.516 11.522 1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.856 11.092 0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.462 10.061 1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.869 10.235 3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.721 8.702 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.001 8.862 2.462 1.00 0.00 H new ATOM 258 N PRO A 17 -8.689 8.356 -1.947 1.00 0.00 N ATOM 259 CA PRO A 17 -9.088 8.658 -3.312 1.00 0.00 C ATOM 260 C PRO A 17 -10.064 9.836 -3.349 1.00 0.00 C ATOM 261 O PRO A 17 -10.389 10.410 -2.311 1.00 0.00 O ATOM 262 CB PRO A 17 -9.694 7.367 -3.839 1.00 0.00 C ATOM 263 CG PRO A 17 -10.035 6.536 -2.613 1.00 0.00 C ATOM 264 CD PRO A 17 -9.329 7.155 -1.418 1.00 0.00 C ATOM 0 HA PRO A 17 -8.251 8.973 -3.936 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.584 7.568 -4.435 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.991 6.841 -4.485 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.113 6.518 -2.452 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.716 5.503 -2.752 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.035 7.399 -0.624 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.596 6.470 -0.993 1.00 0.00 H new ATOM 272 N SER A 18 -10.504 10.160 -4.556 1.00 0.00 N ATOM 273 CA SER A 18 -11.437 11.259 -4.742 1.00 0.00 C ATOM 274 C SER A 18 -12.287 11.017 -5.991 1.00 0.00 C ATOM 275 O SER A 18 -13.503 11.199 -5.962 1.00 0.00 O ATOM 276 CB SER A 18 -10.699 12.594 -4.852 1.00 0.00 C ATOM 277 OG SER A 18 -11.594 13.703 -4.813 1.00 0.00 O ATOM 0 H SER A 18 -10.232 9.681 -5.415 1.00 0.00 H new ATOM 0 HA SER A 18 -12.089 11.306 -3.870 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.980 12.679 -4.037 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.131 12.619 -5.782 1.00 0.00 H new ATOM 0 HG SER A 18 -11.085 14.537 -4.884 1.00 0.00 H new ATOM 283 N ASN A 19 -11.613 10.611 -7.057 1.00 0.00 N ATOM 284 CA ASN A 19 -12.292 10.343 -8.313 1.00 0.00 C ATOM 285 C ASN A 19 -12.199 8.849 -8.630 1.00 0.00 C ATOM 286 O ASN A 19 -11.700 8.070 -7.820 1.00 0.00 O ATOM 287 CB ASN A 19 -11.642 11.112 -9.466 1.00 0.00 C ATOM 288 CG ASN A 19 -12.285 12.490 -9.636 1.00 0.00 C ATOM 289 OD1 ASN A 19 -13.351 12.775 -9.118 1.00 0.00 O ATOM 290 ND2 ASN A 19 -11.578 13.327 -10.391 1.00 0.00 N ATOM 0 H ASN A 19 -10.604 10.461 -7.077 1.00 0.00 H new ATOM 0 HA ASN A 19 -13.330 10.658 -8.209 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.575 11.225 -9.276 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.743 10.543 -10.390 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.922 14.271 -10.565 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.692 13.024 -10.795 1.00 0.00 H new ATOM 297 N GLU A 20 -12.686 8.495 -9.810 1.00 0.00 N ATOM 298 CA GLU A 20 -12.663 7.109 -10.244 1.00 0.00 C ATOM 299 C GLU A 20 -11.360 6.805 -10.986 1.00 0.00 C ATOM 300 O GLU A 20 -10.993 5.644 -11.153 1.00 0.00 O ATOM 301 CB GLU A 20 -13.879 6.788 -11.117 1.00 0.00 C ATOM 302 CG GLU A 20 -15.114 6.512 -10.257 1.00 0.00 C ATOM 303 CD GLU A 20 -16.341 7.240 -10.812 1.00 0.00 C ATOM 304 OE1 GLU A 20 -16.507 7.208 -12.050 1.00 0.00 O ATOM 305 OE2 GLU A 20 -17.083 7.812 -9.985 1.00 0.00 O ATOM 0 H GLU A 20 -13.099 9.145 -10.479 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.711 6.472 -9.361 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.079 7.622 -11.789 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.664 5.920 -11.741 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.307 5.440 -10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.928 6.834 -9.232 1.00 0.00 H new ATOM 312 N GLU A 21 -10.696 7.871 -11.410 1.00 0.00 N ATOM 313 CA GLU A 21 -9.441 7.733 -12.129 1.00 0.00 C ATOM 314 C GLU A 21 -8.374 7.116 -11.223 1.00 0.00 C ATOM 315 O GLU A 21 -7.878 6.024 -11.497 1.00 0.00 O ATOM 316 CB GLU A 21 -8.976 9.081 -12.683 1.00 0.00 C ATOM 317 CG GLU A 21 -7.478 9.059 -12.995 1.00 0.00 C ATOM 318 CD GLU A 21 -7.079 10.263 -13.851 1.00 0.00 C ATOM 319 OE1 GLU A 21 -7.103 11.385 -13.299 1.00 0.00 O ATOM 320 OE2 GLU A 21 -6.758 10.034 -15.036 1.00 0.00 O ATOM 0 H GLU A 21 -11.004 8.833 -11.269 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.602 7.065 -12.975 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.536 9.319 -13.587 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.189 9.868 -11.960 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.909 9.065 -12.065 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.225 8.137 -13.518 1.00 0.00 H new ATOM 327 N GLN A 22 -8.053 7.841 -10.162 1.00 0.00 N ATOM 328 CA GLN A 22 -7.054 7.378 -9.212 1.00 0.00 C ATOM 329 C GLN A 22 -7.505 6.067 -8.566 1.00 0.00 C ATOM 330 O GLN A 22 -6.676 5.260 -8.148 1.00 0.00 O ATOM 331 CB GLN A 22 -6.770 8.443 -8.152 1.00 0.00 C ATOM 332 CG GLN A 22 -6.687 9.835 -8.782 1.00 0.00 C ATOM 333 CD GLN A 22 -7.757 10.763 -8.205 1.00 0.00 C ATOM 334 OE1 GLN A 22 -8.424 11.500 -8.915 1.00 0.00 O ATOM 335 NE2 GLN A 22 -7.885 10.687 -6.884 1.00 0.00 N ATOM 0 H GLN A 22 -8.467 8.746 -9.938 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.125 7.194 -9.751 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.556 8.428 -7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.834 8.214 -7.643 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.699 10.260 -8.605 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.812 9.757 -9.862 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.295 10.049 -6.350 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.573 11.267 -6.404 1.00 0.00 H new ATOM 344 N ILE A 23 -8.817 5.894 -8.504 1.00 0.00 N ATOM 345 CA ILE A 23 -9.387 4.694 -7.915 1.00 0.00 C ATOM 346 C ILE A 23 -9.282 3.541 -8.915 1.00 0.00 C ATOM 347 O ILE A 23 -8.978 2.411 -8.535 1.00 0.00 O ATOM 348 CB ILE A 23 -10.814 4.960 -7.432 1.00 0.00 C ATOM 349 CG1 ILE A 23 -10.811 5.672 -6.077 1.00 0.00 C ATOM 350 CG2 ILE A 23 -11.632 3.669 -7.400 1.00 0.00 C ATOM 351 CD1 ILE A 23 -12.237 5.922 -5.586 1.00 0.00 C ATOM 0 H ILE A 23 -9.502 6.565 -8.852 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.824 4.401 -7.029 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.297 5.628 -8.145 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.272 5.069 -5.347 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.280 6.620 -6.162 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.642 3.887 -7.053 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.677 3.242 -8.402 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.161 2.957 -6.722 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.206 6.429 -4.622 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.766 6.545 -6.307 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.757 4.970 -5.479 1.00 0.00 H new ATOM 363 N LYS A 24 -9.538 3.865 -10.174 1.00 0.00 N ATOM 364 CA LYS A 24 -9.476 2.871 -11.231 1.00 0.00 C ATOM 365 C LYS A 24 -8.020 2.453 -11.448 1.00 0.00 C ATOM 366 O LYS A 24 -7.752 1.409 -12.040 1.00 0.00 O ATOM 367 CB LYS A 24 -10.162 3.390 -12.496 1.00 0.00 C ATOM 368 CG LYS A 24 -9.733 2.583 -13.723 1.00 0.00 C ATOM 369 CD LYS A 24 -8.472 3.175 -14.356 1.00 0.00 C ATOM 370 CE LYS A 24 -8.442 2.916 -15.864 1.00 0.00 C ATOM 371 NZ LYS A 24 -9.409 3.795 -16.559 1.00 0.00 N ATOM 0 H LYS A 24 -9.789 4.803 -10.486 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.026 1.975 -10.943 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.244 3.331 -12.378 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.914 4.441 -12.643 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.548 1.548 -13.435 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.540 2.571 -14.455 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.435 4.248 -14.167 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.588 2.739 -13.891 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.438 3.093 -16.250 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.681 1.872 -16.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.184 3.824 -17.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.372 3.424 -16.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.351 4.755 -16.164 1.00 0.00 H new ATOM 385 N ASN A 25 -7.118 3.290 -10.955 1.00 0.00 N ATOM 386 CA ASN A 25 -5.697 3.021 -11.087 1.00 0.00 C ATOM 387 C ASN A 25 -5.289 1.949 -10.073 1.00 0.00 C ATOM 388 O ASN A 25 -4.444 1.104 -10.364 1.00 0.00 O ATOM 389 CB ASN A 25 -4.870 4.276 -10.805 1.00 0.00 C ATOM 390 CG ASN A 25 -4.615 5.065 -12.092 1.00 0.00 C ATOM 391 OD1 ASN A 25 -3.452 4.786 -12.676 1.00 0.00 O flip ATOM 392 ND2 ASN A 25 -5.420 5.871 -12.526 1.00 0.00 N flip ATOM 0 H ASN A 25 -7.345 4.155 -10.464 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.511 2.688 -12.108 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.393 4.906 -10.085 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.919 3.995 -10.352 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.294 6.037 -12.028 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.219 6.379 -13.387 1.00 0.00 H new ATOM 399 N LEU A 26 -5.909 2.019 -8.904 1.00 0.00 N ATOM 400 CA LEU A 26 -5.620 1.066 -7.847 1.00 0.00 C ATOM 401 C LEU A 26 -6.085 -0.326 -8.279 1.00 0.00 C ATOM 402 O LEU A 26 -5.373 -1.309 -8.089 1.00 0.00 O ATOM 403 CB LEU A 26 -6.229 1.534 -6.523 1.00 0.00 C ATOM 404 CG LEU A 26 -5.331 2.405 -5.642 1.00 0.00 C ATOM 405 CD1 LEU A 26 -6.098 2.929 -4.427 1.00 0.00 C ATOM 406 CD2 LEU A 26 -4.062 1.651 -5.238 1.00 0.00 C ATOM 0 H LEU A 26 -6.610 2.721 -8.666 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.546 1.004 -7.674 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.140 2.091 -6.742 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.523 0.654 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.019 3.272 -6.224 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.437 3.545 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.945 3.527 -4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.459 2.088 -3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.441 2.292 -4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.333 0.754 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.506 1.369 -6.132 1.00 0.00 H new ATOM 418 N LEU A 27 -7.279 -0.363 -8.854 1.00 0.00 N ATOM 419 CA LEU A 27 -7.847 -1.618 -9.315 1.00 0.00 C ATOM 420 C LEU A 27 -6.848 -2.318 -10.238 1.00 0.00 C ATOM 421 O LEU A 27 -6.454 -3.455 -9.984 1.00 0.00 O ATOM 422 CB LEU A 27 -9.216 -1.382 -9.958 1.00 0.00 C ATOM 423 CG LEU A 27 -10.413 -1.375 -9.005 1.00 0.00 C ATOM 424 CD1 LEU A 27 -11.710 -1.076 -9.756 1.00 0.00 C ATOM 425 CD2 LEU A 27 -10.494 -2.685 -8.218 1.00 0.00 C ATOM 0 H LEU A 27 -7.867 0.455 -9.011 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.026 -2.287 -8.473 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.189 -0.427 -10.483 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.380 -2.154 -10.710 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.269 -0.573 -8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.545 -1.077 -9.055 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.637 -0.098 -10.232 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.874 -1.839 -10.517 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.353 -2.654 -7.548 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.604 -3.519 -8.911 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.583 -2.816 -7.634 1.00 0.00 H new ATOM 437 N GLN A 28 -6.465 -1.608 -11.290 1.00 0.00 N ATOM 438 CA GLN A 28 -5.518 -2.147 -12.251 1.00 0.00 C ATOM 439 C GLN A 28 -4.257 -2.638 -11.537 1.00 0.00 C ATOM 440 O GLN A 28 -3.674 -3.649 -11.925 1.00 0.00 O ATOM 441 CB GLN A 28 -5.172 -1.109 -13.321 1.00 0.00 C ATOM 442 CG GLN A 28 -4.878 -1.782 -14.664 1.00 0.00 C ATOM 443 CD GLN A 28 -3.453 -1.477 -15.129 1.00 0.00 C ATOM 444 OE1 GLN A 28 -3.155 -0.410 -15.638 1.00 0.00 O ATOM 445 NE2 GLN A 28 -2.594 -2.471 -14.927 1.00 0.00 N ATOM 0 H GLN A 28 -6.793 -0.665 -11.497 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.983 -2.997 -12.751 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.000 -0.409 -13.435 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.305 -0.529 -13.003 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.011 -2.860 -14.572 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.591 -1.435 -15.412 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.911 -3.339 -14.495 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.618 -2.366 -15.204 1.00 0.00 H new ATOM 454 N LEU A 29 -3.874 -1.900 -10.506 1.00 0.00 N ATOM 455 CA LEU A 29 -2.694 -2.248 -9.734 1.00 0.00 C ATOM 456 C LEU A 29 -2.947 -3.556 -8.983 1.00 0.00 C ATOM 457 O LEU A 29 -2.271 -4.556 -9.224 1.00 0.00 O ATOM 458 CB LEU A 29 -2.287 -1.086 -8.824 1.00 0.00 C ATOM 459 CG LEU A 29 -1.335 -1.434 -7.677 1.00 0.00 C ATOM 460 CD1 LEU A 29 0.017 -1.911 -8.213 1.00 0.00 C ATOM 461 CD2 LEU A 29 -1.186 -0.256 -6.713 1.00 0.00 C ATOM 0 H LEU A 29 -4.360 -1.062 -10.187 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.844 -2.419 -10.395 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.819 -0.317 -9.438 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.191 -0.649 -8.400 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.767 -2.260 -7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.675 -2.152 -7.378 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.128 -2.799 -8.828 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.469 -1.122 -8.815 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.505 -0.529 -5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.787 0.605 -7.249 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.160 -0.003 -6.294 1.00 0.00 H new ATOM 473 N GLU A 30 -3.923 -3.509 -8.088 1.00 0.00 N ATOM 474 CA GLU A 30 -4.275 -4.679 -7.302 1.00 0.00 C ATOM 475 C GLU A 30 -4.570 -5.868 -8.220 1.00 0.00 C ATOM 476 O GLU A 30 -4.365 -7.018 -7.837 1.00 0.00 O ATOM 477 CB GLU A 30 -5.464 -4.386 -6.385 1.00 0.00 C ATOM 478 CG GLU A 30 -5.413 -5.257 -5.127 1.00 0.00 C ATOM 479 CD GLU A 30 -6.809 -5.430 -4.524 1.00 0.00 C ATOM 480 OE1 GLU A 30 -7.760 -5.559 -5.324 1.00 0.00 O ATOM 481 OE2 GLU A 30 -6.892 -5.429 -3.276 1.00 0.00 O ATOM 0 H GLU A 30 -4.481 -2.679 -7.890 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.425 -4.936 -6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.460 -3.333 -6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.395 -4.569 -6.921 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.995 -6.233 -5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.749 -4.802 -4.392 1.00 0.00 H new ATOM 488 N ALA A 31 -5.047 -5.547 -9.414 1.00 0.00 N ATOM 489 CA ALA A 31 -5.373 -6.573 -10.389 1.00 0.00 C ATOM 490 C ALA A 31 -4.092 -7.298 -10.809 1.00 0.00 C ATOM 491 O ALA A 31 -4.044 -8.527 -10.813 1.00 0.00 O ATOM 492 CB ALA A 31 -6.097 -5.938 -11.577 1.00 0.00 C ATOM 0 H ALA A 31 -5.215 -4.591 -9.728 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.045 -7.313 -9.955 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.341 -6.708 -12.308 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.014 -5.462 -11.232 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.452 -5.191 -12.039 1.00 0.00 H new ATOM 498 N GLN A 32 -3.086 -6.505 -11.149 1.00 0.00 N ATOM 499 CA GLN A 32 -1.809 -7.056 -11.568 1.00 0.00 C ATOM 500 C GLN A 32 -1.402 -8.212 -10.652 1.00 0.00 C ATOM 501 O GLN A 32 -0.971 -7.991 -9.521 1.00 0.00 O ATOM 502 CB GLN A 32 -0.728 -5.974 -11.595 1.00 0.00 C ATOM 503 CG GLN A 32 -0.658 -5.303 -12.969 1.00 0.00 C ATOM 504 CD GLN A 32 -0.226 -6.301 -14.045 1.00 0.00 C ATOM 505 OE1 GLN A 32 0.460 -7.276 -13.784 1.00 0.00 O ATOM 506 NE2 GLN A 32 -0.662 -6.003 -15.266 1.00 0.00 N ATOM 0 H GLN A 32 -3.130 -5.486 -11.143 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.918 -7.442 -12.582 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.938 -5.226 -10.831 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.239 -6.415 -11.352 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.632 -4.887 -13.224 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.046 -4.471 -12.936 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.233 -5.171 -15.415 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.426 -6.607 -16.053 1.00 0.00 H new ATOM 515 N GLU A 33 -1.555 -9.420 -11.174 1.00 0.00 N ATOM 516 CA GLU A 33 -1.210 -10.612 -10.418 1.00 0.00 C ATOM 517 C GLU A 33 0.054 -10.369 -9.591 1.00 0.00 C ATOM 518 O GLU A 33 0.050 -10.551 -8.375 1.00 0.00 O ATOM 519 CB GLU A 33 -1.036 -11.818 -11.343 1.00 0.00 C ATOM 520 CG GLU A 33 -1.101 -13.127 -10.555 1.00 0.00 C ATOM 521 CD GLU A 33 0.219 -13.894 -10.657 1.00 0.00 C ATOM 522 OE1 GLU A 33 1.219 -13.379 -10.112 1.00 0.00 O ATOM 523 OE2 GLU A 33 0.200 -14.979 -11.278 1.00 0.00 O ATOM 0 H GLU A 33 -1.913 -9.599 -12.112 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.030 -10.835 -9.736 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.814 -11.810 -12.107 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.080 -11.748 -11.861 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.323 -12.915 -9.509 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.915 -13.744 -10.935 1.00 0.00 H new ATOM 530 N HIS A 34 1.107 -9.959 -10.285 1.00 0.00 N ATOM 531 CA HIS A 34 2.376 -9.689 -9.631 1.00 0.00 C ATOM 532 C HIS A 34 2.162 -8.690 -8.491 1.00 0.00 C ATOM 533 O HIS A 34 2.699 -8.867 -7.398 1.00 0.00 O ATOM 534 CB HIS A 34 3.419 -9.218 -10.644 1.00 0.00 C ATOM 535 CG HIS A 34 3.322 -9.898 -11.989 1.00 0.00 C ATOM 536 ND1 HIS A 34 3.677 -11.222 -12.186 1.00 0.00 N ATOM 537 CD2 HIS A 34 2.906 -9.426 -13.198 1.00 0.00 C ATOM 538 CE1 HIS A 34 3.479 -11.521 -13.462 1.00 0.00 C ATOM 539 NE2 HIS A 34 3.002 -10.407 -14.088 1.00 0.00 N ATOM 0 H HIS A 34 1.106 -9.807 -11.294 1.00 0.00 H new ATOM 0 HA HIS A 34 2.768 -10.608 -9.195 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.314 -8.142 -10.784 1.00 0.00 H new ATOM 0 HB3 HIS A 34 4.414 -9.390 -10.232 1.00 0.00 H new ATOM 0 HD2 HIS A 34 2.557 -8.424 -13.398 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.663 -12.479 -13.925 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.759 -10.339 -15.076 1.00 0.00 H new ATOM 548 N LEU A 35 1.377 -7.664 -8.786 1.00 0.00 N ATOM 549 CA LEU A 35 1.088 -6.637 -7.799 1.00 0.00 C ATOM 550 C LEU A 35 -0.260 -6.938 -7.139 1.00 0.00 C ATOM 551 O LEU A 35 -1.095 -6.047 -6.991 1.00 0.00 O ATOM 552 CB LEU A 35 1.164 -5.247 -8.433 1.00 0.00 C ATOM 553 CG LEU A 35 2.539 -4.577 -8.415 1.00 0.00 C ATOM 554 CD1 LEU A 35 2.521 -3.267 -9.205 1.00 0.00 C ATOM 555 CD2 LEU A 35 3.031 -4.374 -6.980 1.00 0.00 C ATOM 0 H LEU A 35 0.933 -7.522 -9.693 1.00 0.00 H new ATOM 0 HA LEU A 35 1.840 -6.644 -7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.832 -5.323 -9.468 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.457 -4.596 -7.919 1.00 0.00 H new ATOM 0 HG LEU A 35 3.249 -5.241 -8.908 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.511 -2.811 -9.176 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.245 -3.470 -10.240 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.795 -2.585 -8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.010 -3.896 -6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.327 -3.741 -6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.107 -5.340 -6.481 1.00 0.00 H new ATOM 567 N GLN A 36 -0.428 -8.196 -6.758 1.00 0.00 N ATOM 568 CA GLN A 36 -1.659 -8.625 -6.116 1.00 0.00 C ATOM 569 C GLN A 36 -1.780 -7.997 -4.725 1.00 0.00 C ATOM 570 O GLN A 36 -1.768 -8.704 -3.719 1.00 0.00 O ATOM 571 CB GLN A 36 -1.733 -10.151 -6.037 1.00 0.00 C ATOM 572 CG GLN A 36 -2.880 -10.599 -5.127 1.00 0.00 C ATOM 573 CD GLN A 36 -2.353 -11.405 -3.938 1.00 0.00 C ATOM 574 OE1 GLN A 36 -1.298 -11.136 -3.390 1.00 0.00 O ATOM 575 NE2 GLN A 36 -3.147 -12.408 -3.572 1.00 0.00 N ATOM 0 H GLN A 36 0.268 -8.932 -6.882 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.499 -8.284 -6.721 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.874 -10.564 -7.036 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.789 -10.545 -5.660 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.425 -9.727 -4.767 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.586 -11.203 -5.696 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.018 -12.578 -4.075 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.885 -13.006 -2.789 1.00 0.00 H new ATOM 584 N LEU A 37 -1.894 -6.677 -4.716 1.00 0.00 N ATOM 585 CA LEU A 37 -2.016 -5.946 -3.466 1.00 0.00 C ATOM 586 C LEU A 37 -3.295 -6.382 -2.749 1.00 0.00 C ATOM 587 O LEU A 37 -4.253 -6.815 -3.388 1.00 0.00 O ATOM 588 CB LEU A 37 -1.934 -4.440 -3.716 1.00 0.00 C ATOM 589 CG LEU A 37 -0.944 -3.990 -4.792 1.00 0.00 C ATOM 590 CD1 LEU A 37 -0.766 -2.471 -4.774 1.00 0.00 C ATOM 591 CD2 LEU A 37 0.392 -4.726 -4.648 1.00 0.00 C ATOM 0 H LEU A 37 -1.904 -6.095 -5.554 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.183 -6.181 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.926 -4.083 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.668 -3.950 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.355 -4.253 -5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.057 -2.179 -5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.726 -1.990 -4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.388 -2.161 -3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.079 -4.389 -5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.820 -4.515 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.229 -5.799 -4.749 1.00 0.00 H new ATOM 603 N ASP A 38 -3.270 -6.253 -1.430 1.00 0.00 N ATOM 604 CA ASP A 38 -4.415 -6.628 -0.619 1.00 0.00 C ATOM 605 C ASP A 38 -4.993 -5.380 0.050 1.00 0.00 C ATOM 606 O ASP A 38 -4.332 -4.753 0.877 1.00 0.00 O ATOM 607 CB ASP A 38 -4.013 -7.611 0.483 1.00 0.00 C ATOM 608 CG ASP A 38 -4.109 -9.088 0.098 1.00 0.00 C ATOM 609 OD1 ASP A 38 -5.220 -9.642 0.246 1.00 0.00 O ATOM 610 OD2 ASP A 38 -3.070 -9.632 -0.335 1.00 0.00 O ATOM 0 H ASP A 38 -2.474 -5.894 -0.903 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.149 -7.099 -1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.988 -7.396 0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.645 -7.436 1.353 1.00 0.00 H new ATOM 615 N PHE A 39 -6.218 -5.055 -0.334 1.00 0.00 N ATOM 616 CA PHE A 39 -6.891 -3.891 0.219 1.00 0.00 C ATOM 617 C PHE A 39 -7.715 -4.268 1.453 1.00 0.00 C ATOM 618 O PHE A 39 -8.492 -5.220 1.418 1.00 0.00 O ATOM 619 CB PHE A 39 -7.833 -3.363 -0.866 1.00 0.00 C ATOM 620 CG PHE A 39 -7.116 -2.722 -2.055 1.00 0.00 C ATOM 621 CD1 PHE A 39 -6.045 -1.910 -1.846 1.00 0.00 C ATOM 622 CD2 PHE A 39 -7.548 -2.965 -3.321 1.00 0.00 C ATOM 623 CE1 PHE A 39 -5.380 -1.315 -2.950 1.00 0.00 C ATOM 624 CE2 PHE A 39 -6.882 -2.370 -4.425 1.00 0.00 C ATOM 625 CZ PHE A 39 -5.811 -1.558 -4.216 1.00 0.00 C ATOM 0 H PHE A 39 -6.762 -5.577 -1.021 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.156 -3.144 0.520 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -8.451 -4.185 -1.228 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.506 -2.629 -0.423 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.701 -1.718 -0.841 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.398 -3.611 -3.487 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.531 -0.669 -2.784 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.226 -2.562 -5.431 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.303 -1.107 -5.056 1.00 0.00 H new ATOM 635 N TRP A 40 -7.514 -3.502 2.515 1.00 0.00 N ATOM 636 CA TRP A 40 -8.227 -3.744 3.756 1.00 0.00 C ATOM 637 C TRP A 40 -9.664 -3.249 3.582 1.00 0.00 C ATOM 638 O TRP A 40 -10.609 -3.918 3.995 1.00 0.00 O ATOM 639 CB TRP A 40 -7.509 -3.087 4.938 1.00 0.00 C ATOM 640 CG TRP A 40 -6.260 -3.839 5.401 1.00 0.00 C ATOM 641 CD1 TRP A 40 -5.483 -4.666 4.690 1.00 0.00 C ATOM 642 CD2 TRP A 40 -5.670 -3.796 6.718 1.00 0.00 C ATOM 643 NE1 TRP A 40 -4.440 -5.159 5.448 1.00 0.00 N ATOM 644 CE2 TRP A 40 -4.558 -4.612 6.721 1.00 0.00 C ATOM 645 CE3 TRP A 40 -6.064 -3.090 7.869 1.00 0.00 C ATOM 646 CZ2 TRP A 40 -3.747 -4.801 7.847 1.00 0.00 C ATOM 647 CZ3 TRP A 40 -5.244 -3.289 8.986 1.00 0.00 C ATOM 648 CH2 TRP A 40 -4.120 -4.108 9.005 1.00 0.00 C ATOM 0 H TRP A 40 -6.867 -2.714 2.541 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.251 -4.810 3.984 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.227 -2.071 4.660 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -8.204 -3.008 5.774 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.651 -4.916 3.653 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.716 -5.805 5.133 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.930 -2.446 7.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.881 -5.446 7.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.502 -2.770 9.897 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.538 -4.209 9.909 1.00 0.00 H new ATOM 659 N LYS A 41 -9.783 -2.081 2.967 1.00 0.00 N ATOM 660 CA LYS A 41 -11.089 -1.489 2.731 1.00 0.00 C ATOM 661 C LYS A 41 -11.288 -1.286 1.228 1.00 0.00 C ATOM 662 O LYS A 41 -10.658 -0.417 0.627 1.00 0.00 O ATOM 663 CB LYS A 41 -11.252 -0.207 3.551 1.00 0.00 C ATOM 664 CG LYS A 41 -12.725 0.058 3.868 1.00 0.00 C ATOM 665 CD LYS A 41 -12.944 0.207 5.375 1.00 0.00 C ATOM 666 CE LYS A 41 -14.421 0.032 5.735 1.00 0.00 C ATOM 667 NZ LYS A 41 -15.062 1.348 5.951 1.00 0.00 N ATOM 0 H LYS A 41 -8.996 -1.529 2.625 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.878 -2.160 3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.686 -0.290 4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.838 0.637 2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.053 0.964 3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.335 -0.761 3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.346 -0.533 5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.601 1.189 5.701 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.935 -0.503 4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.512 -0.576 6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.064 1.210 6.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.582 1.845 6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.992 1.915 5.082 1.00 0.00 H new ATOM 681 N SER A 42 -12.167 -2.102 0.665 1.00 0.00 N ATOM 682 CA SER A 42 -12.458 -2.023 -0.757 1.00 0.00 C ATOM 683 C SER A 42 -12.527 -0.559 -1.196 1.00 0.00 C ATOM 684 O SER A 42 -13.538 0.109 -0.985 1.00 0.00 O ATOM 685 CB SER A 42 -13.766 -2.740 -1.092 1.00 0.00 C ATOM 686 OG SER A 42 -14.855 -2.260 -0.307 1.00 0.00 O ATOM 0 H SER A 42 -12.687 -2.821 1.168 1.00 0.00 H new ATOM 0 HA SER A 42 -11.654 -2.521 -1.299 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.994 -2.604 -2.149 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.645 -3.811 -0.927 1.00 0.00 H new ATOM 0 HG SER A 42 -14.809 -1.283 -0.246 1.00 0.00 H new ATOM 692 N PRO A 43 -11.411 -0.091 -1.816 1.00 0.00 N ATOM 693 CA PRO A 43 -11.335 1.281 -2.287 1.00 0.00 C ATOM 694 C PRO A 43 -12.162 1.471 -3.560 1.00 0.00 C ATOM 695 O PRO A 43 -12.210 2.566 -4.117 1.00 0.00 O ATOM 696 CB PRO A 43 -9.854 1.545 -2.497 1.00 0.00 C ATOM 697 CG PRO A 43 -9.195 0.177 -2.583 1.00 0.00 C ATOM 698 CD PRO A 43 -10.195 -0.853 -2.083 1.00 0.00 C ATOM 0 HA PRO A 43 -11.755 1.992 -1.576 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.685 2.118 -3.409 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.440 2.127 -1.673 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.902 -0.042 -3.610 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.287 0.152 -1.980 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.370 -1.629 -2.828 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.834 -1.351 -1.183 1.00 0.00 H new ATOM 706 N THR A 44 -12.794 0.386 -3.983 1.00 0.00 N ATOM 707 CA THR A 44 -13.617 0.418 -5.180 1.00 0.00 C ATOM 708 C THR A 44 -14.418 1.720 -5.241 1.00 0.00 C ATOM 709 O THR A 44 -14.681 2.240 -6.325 1.00 0.00 O ATOM 710 CB THR A 44 -14.494 -0.835 -5.185 1.00 0.00 C ATOM 711 OG1 THR A 44 -13.668 -1.840 -4.602 1.00 0.00 O ATOM 712 CG2 THR A 44 -14.769 -1.352 -6.599 1.00 0.00 C ATOM 0 H THR A 44 -12.753 -0.521 -3.518 1.00 0.00 H new ATOM 0 HA THR A 44 -13.004 0.407 -6.081 1.00 0.00 H new ATOM 0 HB THR A 44 -15.439 -0.618 -4.688 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.160 -2.687 -4.565 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.396 -2.242 -6.545 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.282 -0.581 -7.175 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.826 -1.601 -7.085 1.00 0.00 H new ATOM 720 N THR A 45 -14.783 2.209 -4.066 1.00 0.00 N ATOM 721 CA THR A 45 -15.548 3.440 -3.972 1.00 0.00 C ATOM 722 C THR A 45 -14.670 4.576 -3.442 1.00 0.00 C ATOM 723 O THR A 45 -13.724 4.335 -2.693 1.00 0.00 O ATOM 724 CB THR A 45 -16.778 3.168 -3.103 1.00 0.00 C ATOM 725 OG1 THR A 45 -16.269 3.159 -1.773 1.00 0.00 O ATOM 726 CG2 THR A 45 -17.332 1.756 -3.299 1.00 0.00 C ATOM 0 H THR A 45 -14.563 1.775 -3.170 1.00 0.00 H new ATOM 0 HA THR A 45 -15.891 3.767 -4.954 1.00 0.00 H new ATOM 0 HB THR A 45 -17.554 3.898 -3.334 1.00 0.00 H new ATOM 0 HG1 THR A 45 -17.001 2.991 -1.144 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.203 1.615 -2.660 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.621 1.620 -4.341 1.00 0.00 H new ATOM 0 HG23 THR A 45 -16.567 1.025 -3.036 1.00 0.00 H new ATOM 734 N PRO A 46 -15.023 5.820 -3.862 1.00 0.00 N ATOM 735 CA PRO A 46 -14.277 6.993 -3.438 1.00 0.00 C ATOM 736 C PRO A 46 -14.602 7.353 -1.986 1.00 0.00 C ATOM 737 O PRO A 46 -15.196 6.555 -1.263 1.00 0.00 O ATOM 738 CB PRO A 46 -14.668 8.083 -4.421 1.00 0.00 C ATOM 739 CG PRO A 46 -15.960 7.616 -5.072 1.00 0.00 C ATOM 740 CD PRO A 46 -16.138 6.143 -4.748 1.00 0.00 C ATOM 0 HA PRO A 46 -13.199 6.833 -3.449 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.810 9.036 -3.911 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.888 8.234 -5.167 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.806 8.194 -4.699 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -15.921 7.768 -6.151 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.096 5.958 -4.262 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.115 5.533 -5.651 1.00 0.00 H new ATOM 748 N GLY A 47 -14.197 8.556 -1.604 1.00 0.00 N ATOM 749 CA GLY A 47 -14.436 9.030 -0.252 1.00 0.00 C ATOM 750 C GLY A 47 -14.267 7.899 0.765 1.00 0.00 C ATOM 751 O GLY A 47 -14.918 7.896 1.809 1.00 0.00 O ATOM 0 H GLY A 47 -13.705 9.216 -2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.744 9.839 -0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.443 9.441 -0.180 1.00 0.00 H new ATOM 755 N GLU A 48 -13.388 6.968 0.425 1.00 0.00 N ATOM 756 CA GLU A 48 -13.126 5.834 1.295 1.00 0.00 C ATOM 757 C GLU A 48 -11.620 5.578 1.393 1.00 0.00 C ATOM 758 O GLU A 48 -10.950 5.404 0.376 1.00 0.00 O ATOM 759 CB GLU A 48 -13.864 4.586 0.808 1.00 0.00 C ATOM 760 CG GLU A 48 -13.013 3.800 -0.191 1.00 0.00 C ATOM 761 CD GLU A 48 -11.973 2.941 0.531 1.00 0.00 C ATOM 762 OE1 GLU A 48 -12.382 2.229 1.474 1.00 0.00 O ATOM 763 OE2 GLU A 48 -10.794 3.014 0.123 1.00 0.00 O ATOM 0 H GLU A 48 -12.848 6.976 -0.441 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.501 6.071 2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.112 3.951 1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.805 4.875 0.341 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.655 3.164 -0.800 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.512 4.490 -0.870 1.00 0.00 H new ATOM 770 N THR A 49 -11.134 5.562 2.625 1.00 0.00 N ATOM 771 CA THR A 49 -9.720 5.330 2.868 1.00 0.00 C ATOM 772 C THR A 49 -9.385 3.848 2.695 1.00 0.00 C ATOM 773 O THR A 49 -10.166 2.981 3.088 1.00 0.00 O ATOM 774 CB THR A 49 -9.384 5.871 4.259 1.00 0.00 C ATOM 775 OG1 THR A 49 -10.522 5.532 5.047 1.00 0.00 O ATOM 776 CG2 THR A 49 -9.346 7.400 4.299 1.00 0.00 C ATOM 0 H THR A 49 -11.694 5.706 3.466 1.00 0.00 H new ATOM 0 HA THR A 49 -9.102 5.857 2.141 1.00 0.00 H new ATOM 0 HB THR A 49 -8.420 5.475 4.579 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.025 6.345 5.262 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.103 7.732 5.309 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.588 7.763 3.606 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.320 7.796 4.011 1.00 0.00 H new ATOM 784 N ALA A 50 -8.224 3.599 2.108 1.00 0.00 N ATOM 785 CA ALA A 50 -7.777 2.236 1.879 1.00 0.00 C ATOM 786 C ALA A 50 -6.510 1.975 2.696 1.00 0.00 C ATOM 787 O ALA A 50 -5.773 2.906 3.019 1.00 0.00 O ATOM 788 CB ALA A 50 -7.560 2.014 0.381 1.00 0.00 C ATOM 0 H ALA A 50 -7.579 4.319 1.784 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.534 1.524 2.208 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.225 0.991 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.496 2.183 -0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.804 2.710 0.016 1.00 0.00 H new ATOM 794 N HIS A 51 -6.296 0.705 3.007 1.00 0.00 N ATOM 795 CA HIS A 51 -5.131 0.310 3.781 1.00 0.00 C ATOM 796 C HIS A 51 -4.677 -1.084 3.348 1.00 0.00 C ATOM 797 O HIS A 51 -5.193 -2.089 3.836 1.00 0.00 O ATOM 798 CB HIS A 51 -5.418 0.402 5.281 1.00 0.00 C ATOM 799 CG HIS A 51 -6.433 1.459 5.649 1.00 0.00 C ATOM 800 ND1 HIS A 51 -6.390 2.816 5.525 1.00 0.00 N flip ATOM 801 CD2 HIS A 51 -7.659 1.156 6.216 1.00 0.00 C flip ATOM 802 CE1 HIS A 51 -7.529 3.315 5.990 1.00 0.00 C flip ATOM 803 NE2 HIS A 51 -8.316 2.287 6.420 1.00 0.00 N flip ATOM 0 H HIS A 51 -6.910 -0.064 2.737 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.309 0.999 3.586 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.774 -0.567 5.632 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.486 0.609 5.807 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -5.615 3.356 5.140 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.018 0.165 6.452 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.790 4.363 6.023 1.00 0.00 H new ATOM 812 N VAL A 52 -3.715 -1.102 2.437 1.00 0.00 N ATOM 813 CA VAL A 52 -3.184 -2.358 1.933 1.00 0.00 C ATOM 814 C VAL A 52 -1.772 -2.568 2.483 1.00 0.00 C ATOM 815 O VAL A 52 -1.014 -1.611 2.637 1.00 0.00 O ATOM 816 CB VAL A 52 -3.240 -2.373 0.405 1.00 0.00 C ATOM 817 CG1 VAL A 52 -3.021 -0.971 -0.166 1.00 0.00 C ATOM 818 CG2 VAL A 52 -2.226 -3.364 -0.171 1.00 0.00 C ATOM 0 H VAL A 52 -3.289 -0.267 2.035 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.792 -3.195 2.275 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.236 -2.703 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.066 -1.010 -1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.797 -0.302 0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.044 -0.601 0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.286 -3.355 -1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.221 -3.078 0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.447 -4.366 0.197 1.00 0.00 H new ATOM 828 N ARG A 53 -1.461 -3.825 2.763 1.00 0.00 N ATOM 829 CA ARG A 53 -0.153 -4.172 3.291 1.00 0.00 C ATOM 830 C ARG A 53 0.834 -4.417 2.147 1.00 0.00 C ATOM 831 O ARG A 53 1.072 -5.561 1.762 1.00 0.00 O ATOM 832 CB ARG A 53 -0.227 -5.423 4.168 1.00 0.00 C ATOM 833 CG ARG A 53 0.832 -5.383 5.271 1.00 0.00 C ATOM 834 CD ARG A 53 1.554 -6.728 5.388 1.00 0.00 C ATOM 835 NE ARG A 53 0.613 -7.767 5.862 1.00 0.00 N ATOM 836 CZ ARG A 53 0.993 -8.925 6.420 1.00 0.00 C ATOM 837 NH1 ARG A 53 2.294 -9.198 6.577 1.00 0.00 N ATOM 838 NH2 ARG A 53 0.069 -9.809 6.821 1.00 0.00 N ATOM 0 H ARG A 53 -2.092 -4.616 2.634 1.00 0.00 H new ATOM 0 HA ARG A 53 0.191 -3.336 3.899 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.219 -5.501 4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.083 -6.311 3.553 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.555 -4.596 5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.362 -5.135 6.223 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.967 -7.014 4.421 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.392 -6.642 6.080 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.386 -7.591 5.758 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.997 -8.525 6.272 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.583 -10.079 7.002 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.922 -9.600 6.701 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.357 -10.691 7.246 1.00 0.00 H new ATOM 852 N VAL A 54 1.381 -3.324 1.636 1.00 0.00 N ATOM 853 CA VAL A 54 2.337 -3.405 0.545 1.00 0.00 C ATOM 854 C VAL A 54 3.726 -3.704 1.110 1.00 0.00 C ATOM 855 O VAL A 54 4.082 -3.217 2.181 1.00 0.00 O ATOM 856 CB VAL A 54 2.292 -2.122 -0.287 1.00 0.00 C ATOM 857 CG1 VAL A 54 3.423 -2.097 -1.318 1.00 0.00 C ATOM 858 CG2 VAL A 54 0.930 -1.953 -0.963 1.00 0.00 C ATOM 0 H VAL A 54 1.180 -2.377 1.958 1.00 0.00 H new ATOM 0 HA VAL A 54 2.079 -4.222 -0.129 1.00 0.00 H new ATOM 0 HB VAL A 54 2.436 -1.280 0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.368 -1.175 -1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.384 -2.147 -0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.324 -2.951 -1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.926 -1.033 -1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.742 -2.802 -1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.150 -1.903 -0.203 1.00 0.00 H new ATOM 868 N PRO A 55 4.495 -4.524 0.344 1.00 0.00 N ATOM 869 CA PRO A 55 5.838 -4.893 0.758 1.00 0.00 C ATOM 870 C PRO A 55 6.813 -3.732 0.553 1.00 0.00 C ATOM 871 O PRO A 55 6.796 -3.078 -0.489 1.00 0.00 O ATOM 872 CB PRO A 55 6.185 -6.114 -0.078 1.00 0.00 C ATOM 873 CG PRO A 55 5.218 -6.107 -1.251 1.00 0.00 C ATOM 874 CD PRO A 55 4.107 -5.120 -0.932 1.00 0.00 C ATOM 0 HA PRO A 55 5.902 -5.123 1.822 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.218 -6.070 -0.423 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.083 -7.029 0.506 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.732 -5.820 -2.168 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.808 -7.104 -1.414 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.014 -4.363 -1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.142 -5.621 -0.858 1.00 0.00 H new ATOM 882 N PHE A 56 7.640 -3.511 1.565 1.00 0.00 N ATOM 883 CA PHE A 56 8.620 -2.441 1.509 1.00 0.00 C ATOM 884 C PHE A 56 9.400 -2.478 0.194 1.00 0.00 C ATOM 885 O PHE A 56 9.697 -1.435 -0.387 1.00 0.00 O ATOM 886 CB PHE A 56 9.591 -2.663 2.671 1.00 0.00 C ATOM 887 CG PHE A 56 10.313 -1.394 3.129 1.00 0.00 C ATOM 888 CD1 PHE A 56 9.608 -0.372 3.684 1.00 0.00 C ATOM 889 CD2 PHE A 56 11.662 -1.288 2.981 1.00 0.00 C ATOM 890 CE1 PHE A 56 10.278 0.805 4.110 1.00 0.00 C ATOM 891 CE2 PHE A 56 12.331 -0.110 3.407 1.00 0.00 C ATOM 892 CZ PHE A 56 11.625 0.911 3.963 1.00 0.00 C ATOM 0 H PHE A 56 7.651 -4.055 2.428 1.00 0.00 H new ATOM 0 HA PHE A 56 8.119 -1.475 1.575 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.042 -3.081 3.515 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.333 -3.404 2.374 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.538 -0.456 3.801 1.00 0.00 H new ATOM 0 HD2 PHE A 56 12.223 -2.099 2.540 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.717 1.616 4.551 1.00 0.00 H new ATOM 0 HE2 PHE A 56 13.401 -0.025 3.289 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.135 1.806 4.288 1.00 0.00 H new ATOM 902 N VAL A 57 9.709 -3.692 -0.239 1.00 0.00 N ATOM 903 CA VAL A 57 10.449 -3.880 -1.476 1.00 0.00 C ATOM 904 C VAL A 57 9.588 -3.420 -2.655 1.00 0.00 C ATOM 905 O VAL A 57 10.108 -3.128 -3.731 1.00 0.00 O ATOM 906 CB VAL A 57 10.901 -5.337 -1.599 1.00 0.00 C ATOM 907 CG1 VAL A 57 9.762 -6.296 -1.249 1.00 0.00 C ATOM 908 CG2 VAL A 57 11.449 -5.624 -2.999 1.00 0.00 C ATOM 0 H VAL A 57 9.460 -4.555 0.245 1.00 0.00 H new ATOM 0 HA VAL A 57 11.353 -3.272 -1.476 1.00 0.00 H new ATOM 0 HB VAL A 57 11.707 -5.500 -0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.110 -7.325 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.437 -6.117 -0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.926 -6.131 -1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.763 -6.666 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.672 -5.435 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.303 -4.975 -3.196 1.00 0.00 H new ATOM 918 N ASN A 58 8.287 -3.367 -2.411 1.00 0.00 N ATOM 919 CA ASN A 58 7.350 -2.947 -3.438 1.00 0.00 C ATOM 920 C ASN A 58 6.630 -1.677 -2.979 1.00 0.00 C ATOM 921 O ASN A 58 5.633 -1.275 -3.575 1.00 0.00 O ATOM 922 CB ASN A 58 6.293 -4.023 -3.693 1.00 0.00 C ATOM 923 CG ASN A 58 5.628 -3.828 -5.058 1.00 0.00 C ATOM 924 OD1 ASN A 58 5.067 -2.789 -5.361 1.00 0.00 O ATOM 925 ND2 ASN A 58 5.725 -4.884 -5.861 1.00 0.00 N ATOM 0 H ASN A 58 7.860 -3.608 -1.517 1.00 0.00 H new ATOM 0 HA ASN A 58 7.913 -2.770 -4.354 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.755 -5.009 -3.647 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.537 -3.988 -2.908 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.315 -4.854 -6.795 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.209 -5.724 -5.543 1.00 0.00 H new ATOM 932 N VAL A 59 7.166 -1.083 -1.923 1.00 0.00 N ATOM 933 CA VAL A 59 6.588 0.133 -1.376 1.00 0.00 C ATOM 934 C VAL A 59 6.968 1.319 -2.265 1.00 0.00 C ATOM 935 O VAL A 59 6.221 2.289 -2.365 1.00 0.00 O ATOM 936 CB VAL A 59 7.025 0.312 0.079 1.00 0.00 C ATOM 937 CG1 VAL A 59 7.132 1.795 0.440 1.00 0.00 C ATOM 938 CG2 VAL A 59 6.075 -0.417 1.031 1.00 0.00 C ATOM 0 H VAL A 59 7.994 -1.421 -1.432 1.00 0.00 H new ATOM 0 HA VAL A 59 5.500 0.068 -1.369 1.00 0.00 H new ATOM 0 HB VAL A 59 8.014 -0.132 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.444 1.895 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.866 2.275 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.162 2.273 0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.409 -0.273 2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.068 -0.016 0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.071 -1.481 0.796 1.00 0.00 H new ATOM 948 N GLN A 60 8.132 1.200 -2.889 1.00 0.00 N ATOM 949 CA GLN A 60 8.620 2.249 -3.766 1.00 0.00 C ATOM 950 C GLN A 60 7.784 2.304 -5.046 1.00 0.00 C ATOM 951 O GLN A 60 7.087 3.287 -5.295 1.00 0.00 O ATOM 952 CB GLN A 60 10.103 2.048 -4.088 1.00 0.00 C ATOM 953 CG GLN A 60 10.786 3.384 -4.388 1.00 0.00 C ATOM 954 CD GLN A 60 11.429 3.966 -3.128 1.00 0.00 C ATOM 955 OE1 GLN A 60 11.842 3.256 -2.225 1.00 0.00 O ATOM 956 NE2 GLN A 60 11.491 5.295 -3.117 1.00 0.00 N ATOM 0 H GLN A 60 8.750 0.393 -2.804 1.00 0.00 H new ATOM 0 HA GLN A 60 8.519 3.203 -3.249 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.599 1.563 -3.247 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.206 1.383 -4.945 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.546 3.243 -5.157 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.056 4.088 -4.787 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.127 5.829 -3.906 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.903 5.780 -2.320 1.00 0.00 H new ATOM 965 N ALA A 61 7.880 1.237 -5.825 1.00 0.00 N ATOM 966 CA ALA A 61 7.141 1.151 -7.072 1.00 0.00 C ATOM 967 C ALA A 61 5.707 1.634 -6.845 1.00 0.00 C ATOM 968 O ALA A 61 5.114 2.262 -7.720 1.00 0.00 O ATOM 969 CB ALA A 61 7.196 -0.283 -7.601 1.00 0.00 C ATOM 0 H ALA A 61 8.459 0.424 -5.616 1.00 0.00 H new ATOM 0 HA ALA A 61 7.590 1.795 -7.828 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.641 -0.347 -8.537 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.234 -0.567 -7.774 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.752 -0.958 -6.869 1.00 0.00 H new ATOM 975 N VAL A 62 5.191 1.321 -5.665 1.00 0.00 N ATOM 976 CA VAL A 62 3.838 1.715 -5.311 1.00 0.00 C ATOM 977 C VAL A 62 3.804 3.222 -5.046 1.00 0.00 C ATOM 978 O VAL A 62 2.892 3.914 -5.496 1.00 0.00 O ATOM 979 CB VAL A 62 3.346 0.887 -4.122 1.00 0.00 C ATOM 980 CG1 VAL A 62 1.985 1.385 -3.634 1.00 0.00 C ATOM 981 CG2 VAL A 62 3.292 -0.601 -4.476 1.00 0.00 C ATOM 0 H VAL A 62 5.686 0.799 -4.942 1.00 0.00 H new ATOM 0 HA VAL A 62 3.153 1.514 -6.135 1.00 0.00 H new ATOM 0 HB VAL A 62 4.060 1.012 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.658 0.780 -2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.069 2.427 -3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.257 1.304 -4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.939 -1.167 -3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.610 -0.751 -5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.288 -0.945 -4.753 1.00 0.00 H new ATOM 991 N LYS A 63 4.808 3.685 -4.315 1.00 0.00 N ATOM 992 CA LYS A 63 4.903 5.097 -3.985 1.00 0.00 C ATOM 993 C LYS A 63 4.924 5.918 -5.275 1.00 0.00 C ATOM 994 O LYS A 63 4.396 7.029 -5.317 1.00 0.00 O ATOM 995 CB LYS A 63 6.105 5.354 -3.073 1.00 0.00 C ATOM 996 CG LYS A 63 5.728 5.161 -1.603 1.00 0.00 C ATOM 997 CD LYS A 63 6.221 6.334 -0.753 1.00 0.00 C ATOM 998 CE LYS A 63 5.776 6.182 0.703 1.00 0.00 C ATOM 999 NZ LYS A 63 6.549 5.111 1.372 1.00 0.00 N ATOM 0 H LYS A 63 5.562 3.108 -3.942 1.00 0.00 H new ATOM 0 HA LYS A 63 4.028 5.415 -3.419 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.917 4.676 -3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.473 6.368 -3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.646 5.069 -1.510 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.160 4.231 -1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.309 6.390 -0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.835 7.269 -1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.916 7.124 1.232 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.712 5.949 0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.894 4.432 1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.140 4.620 0.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.156 5.528 2.106 1.00 0.00 H new ATOM 1013 N VAL A 64 5.538 5.341 -6.297 1.00 0.00 N ATOM 1014 CA VAL A 64 5.635 6.005 -7.585 1.00 0.00 C ATOM 1015 C VAL A 64 4.283 5.926 -8.297 1.00 0.00 C ATOM 1016 O VAL A 64 3.889 6.860 -8.993 1.00 0.00 O ATOM 1017 CB VAL A 64 6.778 5.399 -8.403 1.00 0.00 C ATOM 1018 CG1 VAL A 64 6.608 5.705 -9.892 1.00 0.00 C ATOM 1019 CG2 VAL A 64 8.135 5.887 -7.894 1.00 0.00 C ATOM 0 H VAL A 64 5.974 4.420 -6.259 1.00 0.00 H new ATOM 0 HA VAL A 64 5.873 7.061 -7.453 1.00 0.00 H new ATOM 0 HB VAL A 64 6.743 4.317 -8.277 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.433 5.263 -10.451 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.666 5.286 -10.244 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.604 6.784 -10.043 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.930 5.441 -8.492 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.185 6.973 -7.975 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.259 5.595 -6.851 1.00 0.00 H new ATOM 1029 N PHE A 65 3.610 4.802 -8.098 1.00 0.00 N ATOM 1030 CA PHE A 65 2.310 4.590 -8.711 1.00 0.00 C ATOM 1031 C PHE A 65 1.294 5.622 -8.218 1.00 0.00 C ATOM 1032 O PHE A 65 0.687 6.331 -9.017 1.00 0.00 O ATOM 1033 CB PHE A 65 1.843 3.192 -8.298 1.00 0.00 C ATOM 1034 CG PHE A 65 0.643 2.676 -9.094 1.00 0.00 C ATOM 1035 CD1 PHE A 65 0.803 2.281 -10.385 1.00 0.00 C ATOM 1036 CD2 PHE A 65 -0.583 2.613 -8.510 1.00 0.00 C ATOM 1037 CE1 PHE A 65 -0.311 1.801 -11.124 1.00 0.00 C ATOM 1038 CE2 PHE A 65 -1.698 2.134 -9.249 1.00 0.00 C ATOM 1039 CZ PHE A 65 -1.537 1.738 -10.540 1.00 0.00 C ATOM 0 H PHE A 65 3.941 4.029 -7.521 1.00 0.00 H new ATOM 0 HA PHE A 65 2.389 4.689 -9.794 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.672 2.494 -8.416 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.585 3.204 -7.239 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.777 2.332 -10.849 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.709 2.927 -7.484 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.184 1.486 -12.149 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.672 2.084 -8.786 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.384 1.373 -11.102 1.00 0.00 H new ATOM 1049 N LEU A 66 1.141 5.671 -6.903 1.00 0.00 N ATOM 1050 CA LEU A 66 0.209 6.604 -6.293 1.00 0.00 C ATOM 1051 C LEU A 66 0.403 7.989 -6.912 1.00 0.00 C ATOM 1052 O LEU A 66 -0.537 8.567 -7.455 1.00 0.00 O ATOM 1053 CB LEU A 66 0.353 6.586 -4.769 1.00 0.00 C ATOM 1054 CG LEU A 66 -0.231 5.366 -4.055 1.00 0.00 C ATOM 1055 CD1 LEU A 66 0.788 4.752 -3.094 1.00 0.00 C ATOM 1056 CD2 LEU A 66 -1.542 5.719 -3.350 1.00 0.00 C ATOM 0 H LEU A 66 1.647 5.080 -6.243 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.819 6.304 -6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.413 6.653 -4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.125 7.480 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.462 4.610 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.347 3.887 -2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.672 4.440 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.073 5.491 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.936 4.834 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.360 6.501 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.266 6.074 -4.084 1.00 0.00 H new ATOM 1068 N GLU A 67 1.628 8.483 -6.809 1.00 0.00 N ATOM 1069 CA GLU A 67 1.957 9.789 -7.353 1.00 0.00 C ATOM 1070 C GLU A 67 1.596 9.854 -8.837 1.00 0.00 C ATOM 1071 O GLU A 67 1.013 10.835 -9.297 1.00 0.00 O ATOM 1072 CB GLU A 67 3.436 10.118 -7.134 1.00 0.00 C ATOM 1073 CG GLU A 67 3.645 10.849 -5.806 1.00 0.00 C ATOM 1074 CD GLU A 67 3.333 12.340 -5.946 1.00 0.00 C ATOM 1075 OE1 GLU A 67 3.828 12.934 -6.929 1.00 0.00 O ATOM 1076 OE2 GLU A 67 2.607 12.853 -5.067 1.00 0.00 O ATOM 0 H GLU A 67 2.405 8.002 -6.356 1.00 0.00 H new ATOM 0 HA GLU A 67 1.369 10.539 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.022 9.199 -7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.800 10.736 -7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.005 10.410 -5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.675 10.719 -5.473 1.00 0.00 H new ATOM 1083 N SER A 68 1.955 8.794 -9.548 1.00 0.00 N ATOM 1084 CA SER A 68 1.675 8.718 -10.971 1.00 0.00 C ATOM 1085 C SER A 68 0.179 8.913 -11.222 1.00 0.00 C ATOM 1086 O SER A 68 -0.213 9.633 -12.139 1.00 0.00 O ATOM 1087 CB SER A 68 2.142 7.382 -11.554 1.00 0.00 C ATOM 1088 OG SER A 68 1.121 6.390 -11.497 1.00 0.00 O ATOM 0 H SER A 68 2.437 7.981 -9.164 1.00 0.00 H new ATOM 0 HA SER A 68 2.227 9.514 -11.471 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.450 7.526 -12.589 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.018 7.033 -11.006 1.00 0.00 H new ATOM 0 HG SER A 68 1.003 6.095 -10.570 1.00 0.00 H new ATOM 1094 N GLN A 69 -0.619 8.257 -10.391 1.00 0.00 N ATOM 1095 CA GLN A 69 -2.063 8.348 -10.511 1.00 0.00 C ATOM 1096 C GLN A 69 -2.571 9.628 -9.844 1.00 0.00 C ATOM 1097 O GLN A 69 -3.775 9.806 -9.670 1.00 0.00 O ATOM 1098 CB GLN A 69 -2.742 7.113 -9.916 1.00 0.00 C ATOM 1099 CG GLN A 69 -2.390 6.954 -8.435 1.00 0.00 C ATOM 1100 CD GLN A 69 -3.225 5.846 -7.789 1.00 0.00 C ATOM 1101 OE1 GLN A 69 -4.433 5.944 -7.650 1.00 0.00 O ATOM 1102 NE2 GLN A 69 -2.515 4.790 -7.403 1.00 0.00 N ATOM 0 H GLN A 69 -0.291 7.660 -9.632 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.318 8.387 -11.570 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.823 7.198 -10.030 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.432 6.223 -10.465 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.330 6.722 -8.332 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.562 7.895 -7.913 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.506 4.773 -7.549 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.980 3.997 -6.960 1.00 0.00 H new ATOM 1111 N GLY A 70 -1.627 10.487 -9.487 1.00 0.00 N ATOM 1112 CA GLY A 70 -1.963 11.745 -8.843 1.00 0.00 C ATOM 1113 C GLY A 70 -2.901 11.520 -7.656 1.00 0.00 C ATOM 1114 O GLY A 70 -3.952 12.152 -7.562 1.00 0.00 O ATOM 0 H GLY A 70 -0.629 10.336 -9.632 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.052 12.238 -8.503 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.436 12.412 -9.564 1.00 0.00 H new ATOM 1118 N ILE A 71 -2.488 10.615 -6.780 1.00 0.00 N ATOM 1119 CA ILE A 71 -3.279 10.298 -5.602 1.00 0.00 C ATOM 1120 C ILE A 71 -2.541 10.782 -4.353 1.00 0.00 C ATOM 1121 O ILE A 71 -1.419 11.279 -4.443 1.00 0.00 O ATOM 1122 CB ILE A 71 -3.624 8.808 -5.575 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -4.816 8.538 -4.654 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -2.403 7.970 -5.191 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -5.608 7.317 -5.126 1.00 0.00 C ATOM 0 H ILE A 71 -1.616 10.091 -6.862 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.234 10.822 -5.631 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.919 8.507 -6.580 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.464 8.376 -3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.467 9.412 -4.631 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.675 6.915 -5.179 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.608 8.131 -5.919 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.055 8.266 -4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.449 7.147 -4.454 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.979 7.492 -6.136 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.960 6.440 -5.125 1.00 0.00 H new ATOM 1137 N ALA A 72 -3.201 10.622 -3.216 1.00 0.00 N ATOM 1138 CA ALA A 72 -2.622 11.037 -1.949 1.00 0.00 C ATOM 1139 C ALA A 72 -2.752 9.896 -0.937 1.00 0.00 C ATOM 1140 O ALA A 72 -3.856 9.444 -0.644 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.305 12.319 -1.472 1.00 0.00 C ATOM 0 H ALA A 72 -4.132 10.211 -3.145 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.561 11.257 -2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.871 12.631 -0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.160 13.106 -2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.372 12.136 -1.341 1.00 0.00 H new ATOM 1147 N TYR A 73 -1.605 9.465 -0.431 1.00 0.00 N ATOM 1148 CA TYR A 73 -1.576 8.385 0.542 1.00 0.00 C ATOM 1149 C TYR A 73 -0.800 8.799 1.795 1.00 0.00 C ATOM 1150 O TYR A 73 -0.463 9.970 1.964 1.00 0.00 O ATOM 1151 CB TYR A 73 -0.846 7.225 -0.136 1.00 0.00 C ATOM 1152 CG TYR A 73 0.354 7.656 -0.984 1.00 0.00 C ATOM 1153 CD1 TYR A 73 0.152 8.329 -2.172 1.00 0.00 C ATOM 1154 CD2 TYR A 73 1.636 7.371 -0.560 1.00 0.00 C ATOM 1155 CE1 TYR A 73 1.280 8.734 -2.970 1.00 0.00 C ATOM 1156 CE2 TYR A 73 2.764 7.776 -1.358 1.00 0.00 C ATOM 1157 CZ TYR A 73 2.531 8.436 -2.524 1.00 0.00 C ATOM 1158 OH TYR A 73 3.597 8.819 -3.278 1.00 0.00 O ATOM 0 H TYR A 73 -0.690 9.844 -0.676 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.587 8.118 0.850 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.506 6.527 0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.551 6.686 -0.769 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.852 8.552 -2.503 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.793 6.845 0.370 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.137 9.262 -3.901 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.773 7.560 -1.038 1.00 0.00 H new ATOM 0 HH TYR A 73 3.788 8.130 -3.949 1.00 0.00 H new ATOM 1168 N SER A 74 -0.539 7.813 2.642 1.00 0.00 N ATOM 1169 CA SER A 74 0.190 8.060 3.874 1.00 0.00 C ATOM 1170 C SER A 74 0.778 6.751 4.405 1.00 0.00 C ATOM 1171 O SER A 74 0.373 5.669 3.983 1.00 0.00 O ATOM 1172 CB SER A 74 -0.711 8.703 4.929 1.00 0.00 C ATOM 1173 OG SER A 74 -0.736 10.123 4.816 1.00 0.00 O ATOM 0 H SER A 74 -0.819 6.843 2.499 1.00 0.00 H new ATOM 0 HA SER A 74 1.001 8.755 3.657 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.724 8.313 4.827 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.361 8.425 5.923 1.00 0.00 H new ATOM 0 HG SER A 74 -0.668 10.377 3.872 1.00 0.00 H new ATOM 1179 N ILE A 75 1.723 6.892 5.323 1.00 0.00 N ATOM 1180 CA ILE A 75 2.370 5.734 5.916 1.00 0.00 C ATOM 1181 C ILE A 75 1.735 5.442 7.276 1.00 0.00 C ATOM 1182 O ILE A 75 1.956 6.176 8.239 1.00 0.00 O ATOM 1183 CB ILE A 75 3.885 5.939 5.975 1.00 0.00 C ATOM 1184 CG1 ILE A 75 4.491 5.953 4.570 1.00 0.00 C ATOM 1185 CG2 ILE A 75 4.545 4.891 6.874 1.00 0.00 C ATOM 1186 CD1 ILE A 75 4.092 7.220 3.813 1.00 0.00 C ATOM 0 H ILE A 75 2.056 7.791 5.671 1.00 0.00 H new ATOM 0 HA ILE A 75 2.215 4.851 5.296 1.00 0.00 H new ATOM 0 HB ILE A 75 4.081 6.914 6.420 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.577 5.893 4.638 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.157 5.075 4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.622 5.059 6.899 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.142 4.972 7.883 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.342 3.895 6.481 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.536 7.204 2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.006 7.265 3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.449 8.096 4.356 1.00 0.00 H new ATOM 1198 N MET A 76 0.959 4.368 7.314 1.00 0.00 N ATOM 1199 CA MET A 76 0.291 3.970 8.541 1.00 0.00 C ATOM 1200 C MET A 76 1.297 3.449 9.568 1.00 0.00 C ATOM 1201 O MET A 76 1.548 4.099 10.583 1.00 0.00 O ATOM 1202 CB MET A 76 -0.735 2.878 8.232 1.00 0.00 C ATOM 1203 CG MET A 76 -1.608 2.583 9.455 1.00 0.00 C ATOM 1204 SD MET A 76 -3.230 2.054 8.933 1.00 0.00 S ATOM 1205 CE MET A 76 -4.028 1.891 10.522 1.00 0.00 C ATOM 0 H MET A 76 0.778 3.761 6.514 1.00 0.00 H new ATOM 0 HA MET A 76 -0.209 4.843 8.960 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.364 3.191 7.399 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.221 1.969 7.920 1.00 0.00 H new ATOM 0 HG2 MET A 76 -1.143 1.809 10.066 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.690 3.474 10.077 1.00 0.00 H new ATOM 0 HE1 MET A 76 -5.058 1.565 10.380 1.00 0.00 H new ATOM 0 HE2 MET A 76 -3.494 1.155 11.123 1.00 0.00 H new ATOM 0 HE3 MET A 76 -4.019 2.853 11.034 1.00 0.00 H new ATOM 1215 N ILE A 77 1.847 2.280 9.272 1.00 0.00 N ATOM 1216 CA ILE A 77 2.819 1.664 10.158 1.00 0.00 C ATOM 1217 C ILE A 77 4.068 1.289 9.355 1.00 0.00 C ATOM 1218 O ILE A 77 3.963 0.774 8.243 1.00 0.00 O ATOM 1219 CB ILE A 77 2.193 0.486 10.906 1.00 0.00 C ATOM 1220 CG1 ILE A 77 3.147 -0.056 11.973 1.00 0.00 C ATOM 1221 CG2 ILE A 77 1.742 -0.605 9.933 1.00 0.00 C ATOM 1222 CD1 ILE A 77 3.631 1.065 12.896 1.00 0.00 C ATOM 0 H ILE A 77 1.637 1.743 8.430 1.00 0.00 H new ATOM 0 HA ILE A 77 3.133 2.369 10.928 1.00 0.00 H new ATOM 0 HB ILE A 77 1.303 0.844 11.422 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.643 -0.824 12.560 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.002 -0.532 11.493 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.301 -1.431 10.491 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.002 -0.196 9.245 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.601 -0.967 9.369 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.307 0.653 13.645 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.155 1.819 12.309 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.775 1.523 13.392 1.00 0.00 H new ATOM 1234 N GLU A 78 5.219 1.562 9.951 1.00 0.00 N ATOM 1235 CA GLU A 78 6.485 1.259 9.306 1.00 0.00 C ATOM 1236 C GLU A 78 7.029 -0.081 9.807 1.00 0.00 C ATOM 1237 O GLU A 78 6.267 -1.019 10.032 1.00 0.00 O ATOM 1238 CB GLU A 78 7.499 2.382 9.535 1.00 0.00 C ATOM 1239 CG GLU A 78 7.978 2.401 10.988 1.00 0.00 C ATOM 1240 CD GLU A 78 7.769 3.780 11.616 1.00 0.00 C ATOM 1241 OE1 GLU A 78 6.715 4.384 11.322 1.00 0.00 O ATOM 1242 OE2 GLU A 78 8.668 4.199 12.377 1.00 0.00 O ATOM 0 H GLU A 78 5.301 1.990 10.873 1.00 0.00 H new ATOM 0 HA GLU A 78 6.314 1.181 8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.352 2.248 8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.047 3.342 9.285 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.437 1.650 11.563 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.034 2.135 11.030 1.00 0.00 H new ATOM 1249 N ASP A 79 8.344 -0.127 9.966 1.00 0.00 N ATOM 1250 CA ASP A 79 8.999 -1.337 10.434 1.00 0.00 C ATOM 1251 C ASP A 79 9.020 -1.339 11.965 1.00 0.00 C ATOM 1252 O ASP A 79 10.063 -1.108 12.574 1.00 0.00 O ATOM 1253 CB ASP A 79 10.446 -1.406 9.941 1.00 0.00 C ATOM 1254 CG ASP A 79 10.637 -2.111 8.597 1.00 0.00 C ATOM 1255 OD1 ASP A 79 9.603 -2.449 7.981 1.00 0.00 O ATOM 1256 OD2 ASP A 79 11.813 -2.296 8.215 1.00 0.00 O ATOM 0 H ASP A 79 8.973 0.654 9.779 1.00 0.00 H new ATOM 0 HA ASP A 79 8.446 -2.193 10.047 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.836 -0.391 9.861 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.046 -1.919 10.692 1.00 0.00 H new ATOM 1261 N VAL A 80 7.856 -1.602 12.540 1.00 0.00 N ATOM 1262 CA VAL A 80 7.728 -1.638 13.987 1.00 0.00 C ATOM 1263 C VAL A 80 8.956 -2.327 14.586 1.00 0.00 C ATOM 1264 O VAL A 80 9.095 -3.545 14.494 1.00 0.00 O ATOM 1265 CB VAL A 80 6.413 -2.313 14.379 1.00 0.00 C ATOM 1266 CG1 VAL A 80 6.522 -3.835 14.265 1.00 0.00 C ATOM 1267 CG2 VAL A 80 5.983 -1.898 15.789 1.00 0.00 C ATOM 0 H VAL A 80 6.993 -1.792 12.030 1.00 0.00 H new ATOM 0 HA VAL A 80 7.692 -0.627 14.393 1.00 0.00 H new ATOM 0 HB VAL A 80 5.644 -1.979 13.682 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.573 -4.290 14.549 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.761 -4.107 13.237 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.310 -4.194 14.927 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.045 -2.392 16.044 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.752 -2.189 16.504 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.845 -0.817 15.824 1.00 0.00 H new ATOM 1277 N GLN A 81 9.814 -1.516 15.188 1.00 0.00 N ATOM 1278 CA GLN A 81 11.026 -2.034 15.803 1.00 0.00 C ATOM 1279 C GLN A 81 10.686 -2.800 17.083 1.00 0.00 C ATOM 1280 O GLN A 81 11.409 -2.710 18.075 1.00 0.00 O ATOM 1281 CB GLN A 81 12.020 -0.905 16.086 1.00 0.00 C ATOM 1282 CG GLN A 81 13.367 -1.466 16.547 1.00 0.00 C ATOM 1283 CD GLN A 81 14.527 -0.738 15.865 1.00 0.00 C ATOM 1284 OE1 GLN A 81 15.240 0.050 16.466 1.00 0.00 O ATOM 1285 NE2 GLN A 81 14.676 -1.042 14.579 1.00 0.00 N ATOM 0 H GLN A 81 9.695 -0.506 15.263 1.00 0.00 H new ATOM 0 HA GLN A 81 11.499 -2.725 15.105 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.160 -0.305 15.187 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.616 -0.243 16.852 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.456 -1.365 17.629 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.418 -2.531 16.321 1.00 0.00 H new ATOM 0 HE21 GLN A 81 14.045 -1.710 14.136 1.00 0.00 H new ATOM 0 HE22 GLN A 81 15.421 -0.607 14.035 1.00 0.00 H new TER 1294 GLN A 81