USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 719 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 38 HIS : no HE2:sc= -0.334 K(o=-0.47,f=-8.8!) USER MOD Set 1.2: A 89 THR OG1 : rot -83:sc= -0.136 USER MOD Set 2.1: A 72 ASN : amide:sc= -1.16 K(o=0.064,f=-8.5!) USER MOD Set 2.2: A 91 LYS NZ :NH3+ -176:sc= 1.23 (180deg=-0.058) USER MOD Set 3.1: A 62 LYS NZ :NH3+ -174:sc=-0.00582 (180deg=-0.115) USER MOD Set 3.2: A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 28 HIS :FLIP no HD1:sc= 0.843 F(o=-2.6!,f=0.84) USER MOD Single : A 9 LYS NZ :NH3+ -135:sc= 0.699 (180deg=-0.0766) USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= -0.0101 (180deg=-0.141) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.281 F(o=-0.92,f=-0.28) USER MOD Single : A 20 ASN : amide:sc= -0.0509 X(o=-0.051,f=-0.079) USER MOD Single : A 23 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.85) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 1.04 (180deg=0.633) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 1.13 (180deg=0.972) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 37 LYS NZ :NH3+ -109:sc= -0.55 (180deg=-3.38!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 52:sc= 0.0194 USER MOD Single : A 65 THR OG1 : rot 15:sc= 0.709 USER MOD Single : A 69 ASN : amide:sc= -0.196 K(o=-0.2,f=-4.9!) USER MOD Single : A 75 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0671) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -3.24! C(o=-3.2!,f=-4.9!) USER MOD Single : A 86 MET CE :methyl 156:sc= -0.211 (180deg=-0.421) USER MOD ----------------------------------------------------------------- ATOM 58 N ASP A 7 -11.278 -45.763 21.516 1.00 0.00 N ATOM 59 CA ASP A 7 -12.096 -45.547 22.687 1.00 0.00 C ATOM 60 C ASP A 7 -11.290 -45.765 23.946 1.00 0.00 C ATOM 61 O ASP A 7 -10.931 -46.897 24.291 1.00 0.00 O ATOM 62 CB ASP A 7 -13.307 -46.468 22.659 1.00 0.00 C ATOM 63 CG ASP A 7 -14.220 -46.273 23.845 1.00 0.00 C ATOM 64 OD1 ASP A 7 -14.679 -45.142 24.068 1.00 0.00 O ATOM 65 OD2 ASP A 7 -14.497 -47.262 24.551 1.00 0.00 O ATOM 0 HA ASP A 7 -12.445 -44.514 22.682 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -13.869 -46.293 21.742 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -12.969 -47.504 22.633 1.00 0.00 H new ATOM 70 N ILE A 8 -10.993 -44.682 24.616 1.00 0.00 N ATOM 71 CA ILE A 8 -10.207 -44.712 25.815 1.00 0.00 C ATOM 72 C ILE A 8 -11.014 -44.203 26.984 1.00 0.00 C ATOM 73 O ILE A 8 -11.661 -43.154 26.903 1.00 0.00 O ATOM 74 CB ILE A 8 -8.912 -43.890 25.642 1.00 0.00 C ATOM 75 CG1 ILE A 8 -8.039 -44.542 24.570 1.00 0.00 C ATOM 76 CG2 ILE A 8 -8.154 -43.748 26.963 1.00 0.00 C ATOM 77 CD1 ILE A 8 -6.802 -43.761 24.217 1.00 0.00 C ATOM 0 H ILE A 8 -11.294 -43.748 24.340 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.924 -45.745 26.016 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.177 -42.882 25.323 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.743 -45.533 24.913 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.635 -44.682 23.668 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.248 -43.163 26.802 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.787 -43.243 27.693 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.886 -44.736 27.337 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.241 -44.295 23.450 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.087 -42.779 23.841 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.180 -43.643 25.105 1.00 0.00 H new ATOM 89 N LYS A 9 -10.995 -44.951 28.060 1.00 0.00 N ATOM 90 CA LYS A 9 -11.750 -44.596 29.223 1.00 0.00 C ATOM 91 C LYS A 9 -10.966 -43.668 30.086 1.00 0.00 C ATOM 92 O LYS A 9 -9.777 -43.863 30.326 1.00 0.00 O ATOM 93 CB LYS A 9 -12.182 -45.826 30.014 1.00 0.00 C ATOM 94 CG LYS A 9 -13.365 -46.568 29.408 1.00 0.00 C ATOM 95 CD LYS A 9 -13.046 -47.030 28.008 1.00 0.00 C ATOM 96 CE LYS A 9 -14.087 -47.988 27.466 1.00 0.00 C ATOM 97 NZ LYS A 9 -15.381 -47.318 27.210 1.00 0.00 N ATOM 0 H LYS A 9 -10.459 -45.814 28.148 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.655 -44.089 28.888 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.338 -46.511 30.091 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.439 -45.521 31.029 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.619 -47.426 30.030 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.239 -45.917 29.391 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.975 -46.164 27.350 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.070 -47.516 28.002 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.721 -48.435 26.541 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.235 -48.802 28.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.155 -47.907 27.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.393 -46.393 27.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.505 -47.182 26.186 1.00 0.00 H new ATOM 111 N GLU A 10 -11.622 -42.675 30.543 1.00 0.00 N ATOM 112 CA GLU A 10 -10.996 -41.681 31.373 1.00 0.00 C ATOM 113 C GLU A 10 -11.599 -41.708 32.757 1.00 0.00 C ATOM 114 O GLU A 10 -12.804 -41.512 32.924 1.00 0.00 O ATOM 115 CB GLU A 10 -11.138 -40.288 30.749 1.00 0.00 C ATOM 116 CG GLU A 10 -10.519 -40.173 29.368 1.00 0.00 C ATOM 117 CD GLU A 10 -10.632 -38.784 28.790 1.00 0.00 C ATOM 118 OE1 GLU A 10 -11.671 -38.472 28.177 1.00 0.00 O ATOM 119 OE2 GLU A 10 -9.678 -37.993 28.946 1.00 0.00 O ATOM 0 H GLU A 10 -12.612 -42.512 30.361 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.933 -41.910 31.450 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.196 -40.034 30.686 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.673 -39.555 31.408 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.467 -40.455 29.422 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.005 -40.881 28.697 1.00 0.00 H new ATOM 126 N ILE A 11 -10.764 -41.960 33.739 1.00 0.00 N ATOM 127 CA ILE A 11 -11.189 -42.012 35.116 1.00 0.00 C ATOM 128 C ILE A 11 -10.660 -40.797 35.871 1.00 0.00 C ATOM 129 O ILE A 11 -9.447 -40.619 36.025 1.00 0.00 O ATOM 130 CB ILE A 11 -10.739 -43.348 35.795 1.00 0.00 C ATOM 131 CG1 ILE A 11 -11.518 -44.527 35.192 1.00 0.00 C ATOM 132 CG2 ILE A 11 -10.922 -43.297 37.319 1.00 0.00 C ATOM 133 CD1 ILE A 11 -11.032 -45.884 35.655 1.00 0.00 C ATOM 0 H ILE A 11 -9.768 -42.135 33.603 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.278 -41.987 35.146 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.675 -43.487 35.602 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -12.572 -44.423 35.449 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.448 -44.478 34.105 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.599 -44.242 37.756 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.324 -42.484 37.730 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.973 -43.129 37.554 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.631 -46.665 35.186 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.986 -46.011 35.374 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.128 -45.955 36.738 1.00 0.00 H new ATOM 145 N LYS A 12 -11.578 -39.950 36.308 1.00 0.00 N ATOM 146 CA LYS A 12 -11.225 -38.741 37.025 1.00 0.00 C ATOM 147 C LYS A 12 -11.017 -39.006 38.502 1.00 0.00 C ATOM 148 O LYS A 12 -11.757 -39.770 39.128 1.00 0.00 O ATOM 149 CB LYS A 12 -12.267 -37.640 36.813 1.00 0.00 C ATOM 150 CG LYS A 12 -11.977 -36.375 37.610 1.00 0.00 C ATOM 151 CD LYS A 12 -12.986 -35.280 37.318 1.00 0.00 C ATOM 152 CE LYS A 12 -12.714 -34.040 38.157 1.00 0.00 C ATOM 153 NZ LYS A 12 -12.954 -34.288 39.610 1.00 0.00 N ATOM 0 H LYS A 12 -12.581 -40.082 36.176 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.278 -38.392 36.614 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.312 -37.391 35.753 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.249 -38.020 37.093 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.990 -36.606 38.675 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.975 -36.018 37.373 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.949 -35.021 36.260 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.992 -35.646 37.522 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.683 -33.720 38.009 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.353 -33.224 37.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.958 -33.382 40.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.873 -34.759 39.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.199 -34.895 39.988 1.00 0.00 H new ATOM 167 N LEU A 13 -10.009 -38.367 39.045 1.00 0.00 N ATOM 168 CA LEU A 13 -9.633 -38.524 40.423 1.00 0.00 C ATOM 169 C LEU A 13 -9.547 -37.152 41.095 1.00 0.00 C ATOM 170 O LEU A 13 -9.570 -36.116 40.419 1.00 0.00 O ATOM 171 CB LEU A 13 -8.269 -39.188 40.483 1.00 0.00 C ATOM 172 CG LEU A 13 -8.141 -40.522 39.761 1.00 0.00 C ATOM 173 CD1 LEU A 13 -6.694 -40.935 39.707 1.00 0.00 C ATOM 174 CD2 LEU A 13 -8.973 -41.592 40.451 1.00 0.00 C ATOM 0 H LEU A 13 -9.419 -37.713 38.530 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.376 -39.133 40.938 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.534 -38.500 40.065 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.006 -39.338 41.530 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.517 -40.406 38.744 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.607 -41.890 39.189 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.120 -40.179 39.172 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.306 -41.035 40.721 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.866 -42.536 39.917 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.629 -41.714 41.478 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.021 -41.293 40.453 1.00 0.00 H new ATOM 186 N SER A 14 -9.477 -37.143 42.412 1.00 0.00 N ATOM 187 CA SER A 14 -9.303 -35.911 43.160 1.00 0.00 C ATOM 188 C SER A 14 -8.285 -36.122 44.273 1.00 0.00 C ATOM 189 O SER A 14 -8.193 -37.208 44.825 1.00 0.00 O ATOM 190 CB SER A 14 -10.633 -35.449 43.754 1.00 0.00 C ATOM 191 OG SER A 14 -11.591 -35.213 42.736 1.00 0.00 O ATOM 0 H SER A 14 -9.538 -37.981 42.990 1.00 0.00 H new ATOM 0 HA SER A 14 -8.941 -35.140 42.480 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.009 -36.205 44.444 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.480 -34.538 44.332 1.00 0.00 H new ATOM 0 HG SER A 14 -12.434 -34.920 43.141 1.00 0.00 H new ATOM 197 N VAL A 15 -7.511 -35.088 44.584 1.00 0.00 N ATOM 198 CA VAL A 15 -6.543 -35.159 45.672 1.00 0.00 C ATOM 199 C VAL A 15 -7.260 -35.387 47.005 1.00 0.00 C ATOM 200 O VAL A 15 -6.858 -36.233 47.802 1.00 0.00 O ATOM 201 CB VAL A 15 -5.658 -33.884 45.737 1.00 0.00 C ATOM 202 CG1 VAL A 15 -4.759 -33.901 46.968 1.00 0.00 C ATOM 203 CG2 VAL A 15 -4.817 -33.775 44.479 1.00 0.00 C ATOM 0 H VAL A 15 -7.535 -34.191 44.098 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.883 -36.004 45.477 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.314 -33.016 45.810 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.151 -32.996 46.987 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.374 -33.944 47.867 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.108 -34.775 46.931 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.199 -32.879 44.531 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.177 -34.653 44.392 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.470 -33.715 43.609 1.00 0.00 H new ATOM 213 N LYS A 16 -8.338 -34.648 47.232 1.00 0.00 N ATOM 214 CA LYS A 16 -9.127 -34.830 48.435 1.00 0.00 C ATOM 215 C LYS A 16 -10.283 -35.784 48.160 1.00 0.00 C ATOM 216 O LYS A 16 -11.459 -35.398 48.172 1.00 0.00 O ATOM 217 CB LYS A 16 -9.634 -33.492 48.985 1.00 0.00 C ATOM 218 CG LYS A 16 -8.525 -32.580 49.480 1.00 0.00 C ATOM 219 CD LYS A 16 -9.075 -31.284 50.053 1.00 0.00 C ATOM 220 CE LYS A 16 -7.955 -30.409 50.587 1.00 0.00 C ATOM 221 NZ LYS A 16 -8.463 -29.162 51.196 1.00 0.00 N ATOM 0 H LYS A 16 -8.681 -33.923 46.602 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.486 -35.268 49.200 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.196 -32.977 48.205 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.328 -33.684 49.803 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.943 -33.097 50.243 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.845 -32.355 48.658 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.626 -30.746 49.282 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.781 -31.506 50.853 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.383 -30.967 51.328 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.270 -30.162 49.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.664 -28.596 51.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.987 -28.616 50.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.096 -29.395 51.988 1.00 0.00 H new ATOM 235 N ILE A 17 -9.924 -37.021 47.882 1.00 0.00 N ATOM 236 CA ILE A 17 -10.873 -38.072 47.583 1.00 0.00 C ATOM 237 C ILE A 17 -10.943 -39.043 48.762 1.00 0.00 C ATOM 238 O ILE A 17 -10.002 -39.119 49.562 1.00 0.00 O ATOM 239 CB ILE A 17 -10.439 -38.837 46.294 1.00 0.00 C ATOM 240 CG1 ILE A 17 -11.550 -39.765 45.788 1.00 0.00 C ATOM 241 CG2 ILE A 17 -9.159 -39.633 46.546 1.00 0.00 C ATOM 242 CD1 ILE A 17 -11.272 -40.346 44.414 1.00 0.00 C ATOM 0 H ILE A 17 -8.952 -37.328 47.857 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.855 -37.631 47.415 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.246 -38.093 45.521 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.684 -40.581 46.499 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.489 -39.212 45.757 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.873 -40.159 45.635 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.359 -38.953 46.839 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.331 -40.355 47.344 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.098 -40.992 44.118 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.168 -39.537 43.691 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.350 -40.927 44.444 1.00 0.00 H new ATOM 254 N ALA A 18 -12.054 -39.754 48.894 1.00 0.00 N ATOM 255 CA ALA A 18 -12.191 -40.732 49.957 1.00 0.00 C ATOM 256 C ALA A 18 -11.181 -41.857 49.749 1.00 0.00 C ATOM 257 O ALA A 18 -10.933 -42.280 48.615 1.00 0.00 O ATOM 258 CB ALA A 18 -13.610 -41.283 49.998 1.00 0.00 C ATOM 0 H ALA A 18 -12.866 -39.671 48.282 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.991 -40.249 50.914 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.693 -42.015 50.801 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -14.312 -40.468 50.175 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.842 -41.761 49.046 1.00 0.00 H new ATOM 264 N GLN A 19 -10.614 -42.342 50.835 1.00 0.00 N ATOM 265 CA GLN A 19 -9.574 -43.362 50.767 1.00 0.00 C ATOM 266 C GLN A 19 -10.109 -44.643 50.133 1.00 0.00 C ATOM 267 O GLN A 19 -9.425 -45.290 49.334 1.00 0.00 O ATOM 268 CB GLN A 19 -9.024 -43.654 52.172 1.00 0.00 C ATOM 269 CG GLN A 19 -7.804 -44.561 52.178 1.00 0.00 C ATOM 270 CD GLN A 19 -6.608 -43.915 51.510 1.00 0.00 C ATOM 271 OE1 GLN A 19 -6.420 -44.188 50.235 1.00 0.00 O flip ATOM 272 NE2 GLN A 19 -5.862 -43.168 52.135 1.00 0.00 N flip ATOM 0 H GLN A 19 -10.854 -42.048 51.782 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.765 -42.984 50.142 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.766 -42.711 52.654 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.810 -44.114 52.771 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.549 -44.818 53.206 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.044 -45.493 51.667 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.039 -42.980 53.122 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.065 -42.735 51.668 1.00 0.00 H new ATOM 281 N ASN A 20 -11.339 -44.988 50.474 1.00 0.00 N ATOM 282 CA ASN A 20 -11.975 -46.199 49.959 1.00 0.00 C ATOM 283 C ASN A 20 -12.444 -46.026 48.511 1.00 0.00 C ATOM 284 O ASN A 20 -12.685 -47.006 47.812 1.00 0.00 O ATOM 285 CB ASN A 20 -13.160 -46.610 50.846 1.00 0.00 C ATOM 286 CG ASN A 20 -14.296 -45.595 50.840 1.00 0.00 C ATOM 287 OD1 ASN A 20 -15.176 -45.633 49.981 1.00 0.00 O ATOM 288 ND2 ASN A 20 -14.290 -44.694 51.803 1.00 0.00 N ATOM 0 H ASN A 20 -11.924 -44.446 51.109 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.223 -46.988 49.977 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.541 -47.574 50.508 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -12.809 -46.747 51.869 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.033 -43.997 51.853 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -13.543 -44.695 52.497 1.00 0.00 H new ATOM 295 N ASP A 21 -12.568 -44.783 48.069 1.00 0.00 N ATOM 296 CA ASP A 21 -13.032 -44.490 46.706 1.00 0.00 C ATOM 297 C ASP A 21 -11.996 -44.939 45.675 1.00 0.00 C ATOM 298 O ASP A 21 -12.338 -45.436 44.596 1.00 0.00 O ATOM 299 CB ASP A 21 -13.323 -43.002 46.551 1.00 0.00 C ATOM 300 CG ASP A 21 -14.086 -42.686 45.293 1.00 0.00 C ATOM 301 OD1 ASP A 21 -13.473 -42.615 44.224 1.00 0.00 O ATOM 302 OD2 ASP A 21 -15.317 -42.495 45.376 1.00 0.00 O ATOM 0 H ASP A 21 -12.356 -43.957 48.628 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.954 -45.045 46.532 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.893 -42.656 47.413 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.383 -42.451 46.549 1.00 0.00 H new ATOM 307 N ILE A 22 -10.728 -44.790 46.041 1.00 0.00 N ATOM 308 CA ILE A 22 -9.608 -45.173 45.185 1.00 0.00 C ATOM 309 C ILE A 22 -9.654 -46.666 44.900 1.00 0.00 C ATOM 310 O ILE A 22 -9.448 -47.106 43.765 1.00 0.00 O ATOM 311 CB ILE A 22 -8.252 -44.836 45.856 1.00 0.00 C ATOM 312 CG1 ILE A 22 -8.194 -43.351 46.237 1.00 0.00 C ATOM 313 CG2 ILE A 22 -7.093 -45.205 44.941 1.00 0.00 C ATOM 314 CD1 ILE A 22 -6.951 -42.968 47.018 1.00 0.00 C ATOM 0 H ILE A 22 -10.446 -44.400 46.940 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.695 -44.611 44.255 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.164 -45.426 46.768 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.241 -42.750 45.329 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.075 -43.103 46.829 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.151 -44.960 45.431 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.124 -46.273 44.727 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.173 -44.646 44.009 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.981 -41.904 47.251 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.912 -43.541 47.944 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.065 -43.183 46.421 1.00 0.00 H new ATOM 326 N ASN A 23 -9.957 -47.428 45.944 1.00 0.00 N ATOM 327 CA ASN A 23 -10.024 -48.888 45.875 1.00 0.00 C ATOM 328 C ASN A 23 -11.040 -49.328 44.849 1.00 0.00 C ATOM 329 O ASN A 23 -10.816 -50.265 44.082 1.00 0.00 O ATOM 330 CB ASN A 23 -10.476 -49.422 47.221 1.00 0.00 C ATOM 331 CG ASN A 23 -9.451 -49.241 48.321 1.00 0.00 C ATOM 332 OD1 ASN A 23 -8.251 -49.128 48.065 1.00 0.00 O ATOM 333 ND2 ASN A 23 -9.916 -49.214 49.556 1.00 0.00 N ATOM 0 H ASN A 23 -10.165 -47.051 46.869 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.038 -49.266 45.604 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.399 -48.920 47.510 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.707 -50.483 47.123 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.274 -49.096 50.340 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.917 -49.311 49.726 1.00 0.00 H new ATOM 340 N TYR A 24 -12.153 -48.665 44.869 1.00 0.00 N ATOM 341 CA TYR A 24 -13.242 -48.929 43.966 1.00 0.00 C ATOM 342 C TYR A 24 -12.841 -48.649 42.498 1.00 0.00 C ATOM 343 O TYR A 24 -13.101 -49.464 41.611 1.00 0.00 O ATOM 344 CB TYR A 24 -14.428 -48.083 44.421 1.00 0.00 C ATOM 345 CG TYR A 24 -15.639 -48.094 43.525 1.00 0.00 C ATOM 346 CD1 TYR A 24 -16.532 -49.146 43.565 1.00 0.00 C ATOM 347 CD2 TYR A 24 -15.905 -47.034 42.669 1.00 0.00 C ATOM 348 CE1 TYR A 24 -17.660 -49.158 42.766 1.00 0.00 C ATOM 349 CE2 TYR A 24 -17.027 -47.031 41.863 1.00 0.00 C ATOM 350 CZ TYR A 24 -17.902 -48.097 41.912 1.00 0.00 C ATOM 351 OH TYR A 24 -19.026 -48.098 41.114 1.00 0.00 O ATOM 0 H TYR A 24 -12.340 -47.907 45.526 1.00 0.00 H new ATOM 0 HA TYR A 24 -13.516 -49.984 43.993 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -14.732 -48.424 45.411 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.091 -47.052 44.529 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -16.346 -49.974 44.232 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.223 -46.197 42.633 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -18.347 -49.990 42.808 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -17.218 -46.201 41.199 1.00 0.00 H new ATOM 0 HH TYR A 24 -19.046 -47.280 40.575 1.00 0.00 H new ATOM 361 N LYS A 25 -12.188 -47.505 42.258 1.00 0.00 N ATOM 362 CA LYS A 25 -11.782 -47.110 40.900 1.00 0.00 C ATOM 363 C LYS A 25 -10.731 -48.023 40.257 1.00 0.00 C ATOM 364 O LYS A 25 -10.829 -48.322 39.064 1.00 0.00 O ATOM 365 CB LYS A 25 -11.347 -45.651 40.844 1.00 0.00 C ATOM 366 CG LYS A 25 -12.504 -44.686 40.953 1.00 0.00 C ATOM 367 CD LYS A 25 -12.038 -43.244 40.933 1.00 0.00 C ATOM 368 CE LYS A 25 -13.213 -42.278 40.834 1.00 0.00 C ATOM 369 NZ LYS A 25 -14.287 -42.602 41.801 1.00 0.00 N ATOM 0 H LYS A 25 -11.929 -46.837 42.984 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.681 -47.231 40.296 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.641 -45.457 41.652 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.818 -45.471 39.908 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.197 -44.855 40.129 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.052 -44.878 41.875 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.467 -43.033 41.837 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.366 -43.089 40.089 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.861 -41.262 41.011 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.618 -42.303 39.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.983 -41.830 41.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.756 -43.485 41.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.877 -42.719 42.749 1.00 0.00 H new ATOM 383 N VAL A 26 -9.727 -48.460 41.022 1.00 0.00 N ATOM 384 CA VAL A 26 -8.696 -49.343 40.451 1.00 0.00 C ATOM 385 C VAL A 26 -9.294 -50.640 39.940 1.00 0.00 C ATOM 386 O VAL A 26 -8.784 -51.233 38.991 1.00 0.00 O ATOM 387 CB VAL A 26 -7.524 -49.652 41.414 1.00 0.00 C ATOM 388 CG1 VAL A 26 -6.500 -48.534 41.401 1.00 0.00 C ATOM 389 CG2 VAL A 26 -8.021 -49.905 42.826 1.00 0.00 C ATOM 0 H VAL A 26 -9.603 -48.229 42.008 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.278 -48.779 39.617 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.041 -50.563 41.060 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.688 -48.777 42.086 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.102 -48.417 40.393 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.973 -47.603 41.715 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.173 -50.119 43.477 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.545 -49.022 43.191 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.702 -50.756 42.825 1.00 0.00 H new ATOM 399 N LYS A 27 -10.377 -51.074 40.563 1.00 0.00 N ATOM 400 CA LYS A 27 -11.079 -52.264 40.120 1.00 0.00 C ATOM 401 C LYS A 27 -11.607 -52.072 38.700 1.00 0.00 C ATOM 402 O LYS A 27 -11.424 -52.929 37.833 1.00 0.00 O ATOM 403 CB LYS A 27 -12.230 -52.585 41.066 1.00 0.00 C ATOM 404 CG LYS A 27 -13.062 -53.767 40.618 1.00 0.00 C ATOM 405 CD LYS A 27 -14.152 -54.091 41.614 1.00 0.00 C ATOM 406 CE LYS A 27 -14.993 -55.254 41.135 1.00 0.00 C ATOM 407 NZ LYS A 27 -15.800 -54.890 39.942 1.00 0.00 N ATOM 0 H LYS A 27 -10.788 -50.619 41.378 1.00 0.00 H new ATOM 0 HA LYS A 27 -10.378 -53.099 40.124 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.829 -52.788 42.059 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.873 -51.710 41.154 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.508 -53.551 39.647 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.418 -54.637 40.487 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.708 -54.332 42.580 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.785 -53.216 41.764 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.346 -56.097 40.894 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.655 -55.580 41.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.402 -55.694 39.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.398 -54.069 40.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.165 -54.652 39.153 1.00 0.00 H new ATOM 421 N HIS A 28 -12.233 -50.928 38.463 1.00 0.00 N ATOM 422 CA HIS A 28 -12.774 -50.614 37.153 1.00 0.00 C ATOM 423 C HIS A 28 -11.677 -50.492 36.128 1.00 0.00 C ATOM 424 O HIS A 28 -11.842 -50.916 34.987 1.00 0.00 O ATOM 425 CB HIS A 28 -13.606 -49.345 37.185 1.00 0.00 C ATOM 426 CG HIS A 28 -14.952 -49.541 37.784 1.00 0.00 C ATOM 427 ND1 HIS A 28 -16.068 -50.102 37.272 1.00 0.00 N flip ATOM 428 CD2 HIS A 28 -15.277 -49.141 39.057 1.00 0.00 C flip ATOM 429 CE1 HIS A 28 -17.036 -50.028 38.239 1.00 0.00 C flip ATOM 430 NE2 HIS A 28 -16.534 -49.450 39.303 1.00 0.00 N flip ATOM 0 H HIS A 28 -12.378 -50.202 39.164 1.00 0.00 H new ATOM 0 HA HIS A 28 -13.425 -51.440 36.867 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.071 -48.582 37.751 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.719 -48.967 36.169 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -14.607 -48.650 39.748 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -18.049 -50.388 38.140 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -17.032 -49.270 40.174 1.00 0.00 H new ATOM 438 N ALA A 29 -10.550 -49.920 36.537 1.00 0.00 N ATOM 439 CA ALA A 29 -9.412 -49.774 35.649 1.00 0.00 C ATOM 440 C ALA A 29 -9.004 -51.130 35.110 1.00 0.00 C ATOM 441 O ALA A 29 -8.794 -51.292 33.914 1.00 0.00 O ATOM 442 CB ALA A 29 -8.245 -49.119 36.372 1.00 0.00 C ATOM 0 H ALA A 29 -10.404 -49.552 37.477 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.699 -49.131 34.817 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.403 -49.019 35.687 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.544 -48.132 36.726 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.951 -49.735 37.222 1.00 0.00 H new ATOM 448 N LEU A 30 -8.948 -52.113 36.000 1.00 0.00 N ATOM 449 CA LEU A 30 -8.594 -53.478 35.628 1.00 0.00 C ATOM 450 C LEU A 30 -9.617 -54.061 34.649 1.00 0.00 C ATOM 451 O LEU A 30 -9.252 -54.720 33.675 1.00 0.00 O ATOM 452 CB LEU A 30 -8.504 -54.376 36.875 1.00 0.00 C ATOM 453 CG LEU A 30 -7.351 -54.086 37.841 1.00 0.00 C ATOM 454 CD1 LEU A 30 -7.477 -54.945 39.089 1.00 0.00 C ATOM 455 CD2 LEU A 30 -6.012 -54.334 37.166 1.00 0.00 C ATOM 0 H LEU A 30 -9.145 -51.989 36.993 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.619 -53.446 35.141 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.441 -54.291 37.426 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.421 -55.412 36.545 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.403 -53.037 38.131 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.650 -54.727 39.765 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.421 -54.726 39.588 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.450 -55.998 38.810 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.206 -54.122 37.868 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.952 -55.375 36.848 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.916 -53.683 36.297 1.00 0.00 H new ATOM 467 N GLU A 31 -10.896 -53.792 34.906 1.00 0.00 N ATOM 468 CA GLU A 31 -11.982 -54.309 34.082 1.00 0.00 C ATOM 469 C GLU A 31 -11.894 -53.808 32.639 1.00 0.00 C ATOM 470 O GLU A 31 -12.056 -54.584 31.697 1.00 0.00 O ATOM 471 CB GLU A 31 -13.333 -53.933 34.693 1.00 0.00 C ATOM 472 CG GLU A 31 -13.606 -54.592 36.041 1.00 0.00 C ATOM 473 CD GLU A 31 -14.924 -54.164 36.652 1.00 0.00 C ATOM 474 OE1 GLU A 31 -15.982 -54.428 36.041 1.00 0.00 O ATOM 475 OE2 GLU A 31 -14.914 -53.583 37.756 1.00 0.00 O ATOM 0 H GLU A 31 -11.205 -53.213 35.687 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.887 -55.395 34.057 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.378 -52.851 34.813 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.125 -54.210 33.997 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.604 -55.675 35.917 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.797 -54.348 36.729 1.00 0.00 H new ATOM 482 N PHE A 32 -11.632 -52.514 32.470 1.00 0.00 N ATOM 483 CA PHE A 32 -11.523 -51.930 31.134 1.00 0.00 C ATOM 484 C PHE A 32 -10.282 -52.421 30.391 1.00 0.00 C ATOM 485 O PHE A 32 -10.300 -52.561 29.167 1.00 0.00 O ATOM 486 CB PHE A 32 -11.563 -50.401 31.178 1.00 0.00 C ATOM 487 CG PHE A 32 -12.912 -49.858 31.565 1.00 0.00 C ATOM 488 CD1 PHE A 32 -13.943 -49.817 30.644 1.00 0.00 C ATOM 489 CD2 PHE A 32 -13.152 -49.404 32.849 1.00 0.00 C ATOM 490 CE1 PHE A 32 -15.186 -49.331 30.991 1.00 0.00 C ATOM 491 CE2 PHE A 32 -14.396 -48.920 33.206 1.00 0.00 C ATOM 492 CZ PHE A 32 -15.414 -48.884 32.275 1.00 0.00 C ATOM 0 H PHE A 32 -11.492 -51.854 33.235 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.395 -52.271 30.575 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.817 -50.044 31.888 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -11.286 -50.008 30.200 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -13.772 -50.171 29.638 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -12.358 -49.428 33.581 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -15.979 -49.301 30.259 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -14.571 -48.570 34.213 1.00 0.00 H new ATOM 0 HZ PHE A 32 -16.387 -48.506 32.552 1.00 0.00 H new ATOM 502 N LEU A 33 -9.215 -52.679 31.129 1.00 0.00 N ATOM 503 CA LEU A 33 -7.966 -53.160 30.541 1.00 0.00 C ATOM 504 C LEU A 33 -8.187 -54.514 29.865 1.00 0.00 C ATOM 505 O LEU A 33 -7.702 -54.767 28.767 1.00 0.00 O ATOM 506 CB LEU A 33 -6.897 -53.273 31.628 1.00 0.00 C ATOM 507 CG LEU A 33 -6.455 -51.951 32.257 1.00 0.00 C ATOM 508 CD1 LEU A 33 -5.519 -52.202 33.409 1.00 0.00 C ATOM 509 CD2 LEU A 33 -5.802 -51.043 31.228 1.00 0.00 C ATOM 0 H LEU A 33 -9.185 -52.564 32.142 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.629 -52.451 29.785 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.274 -53.923 32.418 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.021 -53.763 31.203 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.344 -51.445 32.634 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.215 -51.250 33.845 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.025 -52.802 34.165 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.638 -52.736 33.052 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.499 -50.111 31.705 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.926 -51.538 30.810 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.513 -50.827 30.430 1.00 0.00 H new ATOM 521 N GLU A 34 -8.943 -55.357 30.539 1.00 0.00 N ATOM 522 CA GLU A 34 -9.329 -56.680 30.044 1.00 0.00 C ATOM 523 C GLU A 34 -10.037 -56.568 28.686 1.00 0.00 C ATOM 524 O GLU A 34 -9.938 -57.457 27.841 1.00 0.00 O ATOM 525 CB GLU A 34 -10.291 -57.310 31.049 1.00 0.00 C ATOM 526 CG GLU A 34 -9.685 -57.554 32.416 1.00 0.00 C ATOM 527 CD GLU A 34 -8.686 -58.676 32.424 1.00 0.00 C ATOM 528 OE1 GLU A 34 -9.089 -59.838 32.198 1.00 0.00 O ATOM 529 OE2 GLU A 34 -7.502 -58.418 32.676 1.00 0.00 O ATOM 0 H GLU A 34 -9.318 -55.146 31.464 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.434 -57.290 29.923 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.160 -56.662 31.159 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.649 -58.258 30.648 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.200 -56.641 32.760 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.481 -57.779 33.125 1.00 0.00 H new ATOM 536 N GLN A 35 -10.746 -55.465 28.496 1.00 0.00 N ATOM 537 CA GLN A 35 -11.491 -55.212 27.275 1.00 0.00 C ATOM 538 C GLN A 35 -10.570 -54.789 26.126 1.00 0.00 C ATOM 539 O GLN A 35 -11.008 -54.671 24.980 1.00 0.00 O ATOM 540 CB GLN A 35 -12.516 -54.110 27.514 1.00 0.00 C ATOM 541 CG GLN A 35 -13.590 -54.460 28.522 1.00 0.00 C ATOM 542 CD GLN A 35 -14.578 -53.327 28.719 1.00 0.00 C ATOM 543 OE1 GLN A 35 -14.866 -52.568 27.792 1.00 0.00 O ATOM 544 NE2 GLN A 35 -15.104 -53.206 29.919 1.00 0.00 N ATOM 0 H GLN A 35 -10.820 -54.719 29.188 1.00 0.00 H new ATOM 0 HA GLN A 35 -11.988 -56.141 26.996 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.995 -53.214 27.853 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.992 -53.862 26.565 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.122 -55.351 28.189 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.125 -54.705 29.477 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.839 -53.855 30.660 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.777 -52.463 30.108 1.00 0.00 H new ATOM 553 N GLY A 36 -9.303 -54.547 26.435 1.00 0.00 N ATOM 554 CA GLY A 36 -8.382 -54.078 25.426 1.00 0.00 C ATOM 555 C GLY A 36 -8.463 -52.575 25.272 1.00 0.00 C ATOM 556 O GLY A 36 -8.021 -52.016 24.271 1.00 0.00 O ATOM 0 H GLY A 36 -8.900 -54.667 27.364 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.366 -54.365 25.695 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.607 -54.557 24.473 1.00 0.00 H new ATOM 560 N LYS A 37 -9.032 -51.927 26.275 1.00 0.00 N ATOM 561 CA LYS A 37 -9.198 -50.486 26.275 1.00 0.00 C ATOM 562 C LYS A 37 -8.105 -49.825 27.092 1.00 0.00 C ATOM 563 O LYS A 37 -7.474 -50.464 27.934 1.00 0.00 O ATOM 564 CB LYS A 37 -10.568 -50.111 26.838 1.00 0.00 C ATOM 565 CG LYS A 37 -11.740 -50.642 26.031 1.00 0.00 C ATOM 566 CD LYS A 37 -11.815 -50.009 24.647 1.00 0.00 C ATOM 567 CE LYS A 37 -12.991 -50.578 23.867 1.00 0.00 C ATOM 568 NZ LYS A 37 -13.123 -49.978 22.516 1.00 0.00 N ATOM 0 H LYS A 37 -9.391 -52.387 27.112 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.128 -50.132 25.246 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.644 -50.487 27.858 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.641 -49.025 26.892 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.650 -51.724 25.930 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.668 -50.448 26.569 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.921 -48.928 24.740 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.887 -50.193 24.105 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.871 -51.657 23.771 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.910 -50.408 24.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.959 -49.360 22.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.273 -49.419 22.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.230 -50.734 21.809 1.00 0.00 H new ATOM 582 N HIS A 38 -7.877 -48.554 26.832 1.00 0.00 N ATOM 583 CA HIS A 38 -6.858 -47.797 27.534 1.00 0.00 C ATOM 584 C HIS A 38 -7.510 -46.958 28.633 1.00 0.00 C ATOM 585 O HIS A 38 -8.659 -46.534 28.486 1.00 0.00 O ATOM 586 CB HIS A 38 -6.134 -46.881 26.546 1.00 0.00 C ATOM 587 CG HIS A 38 -4.661 -46.807 26.750 1.00 0.00 C ATOM 588 ND1 HIS A 38 -4.050 -45.898 27.582 1.00 0.00 N ATOM 589 CD2 HIS A 38 -3.669 -47.535 26.203 1.00 0.00 C ATOM 590 CE1 HIS A 38 -2.745 -46.078 27.527 1.00 0.00 C ATOM 591 NE2 HIS A 38 -2.496 -47.058 26.701 1.00 0.00 N ATOM 0 H HIS A 38 -8.389 -48.018 26.132 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.140 -48.482 27.984 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.332 -47.229 25.532 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -6.551 -45.877 26.625 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -4.529 -45.198 28.149 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -3.783 -48.347 25.500 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.006 -45.510 28.073 1.00 0.00 H new ATOM 599 N VAL A 39 -6.799 -46.735 29.731 1.00 0.00 N ATOM 600 CA VAL A 39 -7.318 -45.902 30.817 1.00 0.00 C ATOM 601 C VAL A 39 -6.436 -44.683 31.068 1.00 0.00 C ATOM 602 O VAL A 39 -5.206 -44.786 31.169 1.00 0.00 O ATOM 603 CB VAL A 39 -7.538 -46.694 32.158 1.00 0.00 C ATOM 604 CG1 VAL A 39 -7.658 -45.733 33.336 1.00 0.00 C ATOM 605 CG2 VAL A 39 -8.813 -47.506 32.080 1.00 0.00 C ATOM 0 H VAL A 39 -5.867 -47.115 29.896 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.297 -45.564 30.477 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.680 -47.350 32.303 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.810 -46.300 34.254 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.744 -45.144 33.420 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.506 -45.067 33.177 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.955 -48.050 33.014 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.660 -46.839 31.916 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.743 -48.214 31.254 1.00 0.00 H new ATOM 615 N ARG A 40 -7.082 -43.532 31.142 1.00 0.00 N ATOM 616 CA ARG A 40 -6.423 -42.274 31.433 1.00 0.00 C ATOM 617 C ARG A 40 -6.878 -41.779 32.798 1.00 0.00 C ATOM 618 O ARG A 40 -8.080 -41.665 33.052 1.00 0.00 O ATOM 619 CB ARG A 40 -6.804 -41.230 30.376 1.00 0.00 C ATOM 620 CG ARG A 40 -6.117 -39.881 30.547 1.00 0.00 C ATOM 621 CD ARG A 40 -6.618 -38.875 29.522 1.00 0.00 C ATOM 622 NE ARG A 40 -5.873 -37.609 29.565 1.00 0.00 N ATOM 623 CZ ARG A 40 -6.298 -36.468 29.005 1.00 0.00 C ATOM 624 NH1 ARG A 40 -7.519 -36.393 28.474 1.00 0.00 N ATOM 625 NH2 ARG A 40 -5.517 -35.389 29.018 1.00 0.00 N ATOM 0 H ARG A 40 -8.088 -43.446 31.000 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.343 -42.423 31.425 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.562 -41.625 29.389 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.883 -41.080 30.403 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.300 -39.502 31.552 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.039 -40.003 30.444 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.537 -39.307 28.524 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.675 -38.677 29.699 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.977 -37.598 30.051 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.134 -37.206 28.493 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.838 -35.522 28.049 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.596 -35.431 29.454 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.840 -34.520 28.592 1.00 0.00 H new ATOM 639 N PHE A 41 -5.937 -41.502 33.667 1.00 0.00 N ATOM 640 CA PHE A 41 -6.257 -40.975 34.979 1.00 0.00 C ATOM 641 C PHE A 41 -6.113 -39.464 34.970 1.00 0.00 C ATOM 642 O PHE A 41 -5.062 -38.939 34.602 1.00 0.00 O ATOM 643 CB PHE A 41 -5.354 -41.590 36.050 1.00 0.00 C ATOM 644 CG PHE A 41 -5.575 -43.065 36.258 1.00 0.00 C ATOM 645 CD1 PHE A 41 -6.608 -43.521 37.065 1.00 0.00 C ATOM 646 CD2 PHE A 41 -4.749 -43.993 35.649 1.00 0.00 C ATOM 647 CE1 PHE A 41 -6.811 -44.868 37.261 1.00 0.00 C ATOM 648 CE2 PHE A 41 -4.951 -45.345 35.840 1.00 0.00 C ATOM 649 CZ PHE A 41 -5.983 -45.783 36.649 1.00 0.00 C ATOM 0 H PHE A 41 -4.940 -41.632 33.493 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.288 -41.237 35.219 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -4.313 -41.424 35.773 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.520 -41.071 36.994 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.262 -42.809 37.546 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.939 -43.657 35.019 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.618 -45.207 37.894 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.303 -46.061 35.357 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.140 -46.841 36.801 1.00 0.00 H new ATOM 659 N ARG A 42 -7.173 -38.780 35.345 1.00 0.00 N ATOM 660 CA ARG A 42 -7.194 -37.323 35.355 1.00 0.00 C ATOM 661 C ARG A 42 -7.603 -36.820 36.734 1.00 0.00 C ATOM 662 O ARG A 42 -8.766 -36.899 37.107 1.00 0.00 O ATOM 663 CB ARG A 42 -8.188 -36.818 34.301 1.00 0.00 C ATOM 664 CG ARG A 42 -7.766 -37.136 32.875 1.00 0.00 C ATOM 665 CD ARG A 42 -8.859 -36.838 31.859 1.00 0.00 C ATOM 666 NE ARG A 42 -9.297 -35.443 31.882 1.00 0.00 N ATOM 667 CZ ARG A 42 -10.115 -34.901 30.971 1.00 0.00 C ATOM 668 NH1 ARG A 42 -10.494 -35.605 29.904 1.00 0.00 N ATOM 669 NH2 ARG A 42 -10.537 -33.650 31.116 1.00 0.00 N ATOM 0 H ARG A 42 -8.045 -39.212 35.652 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.198 -36.947 35.122 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.165 -37.262 34.491 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.302 -35.739 34.407 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.877 -36.557 32.626 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.491 -38.188 32.808 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.496 -37.082 30.861 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.714 -37.485 32.054 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.959 -34.847 32.638 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.161 -36.561 29.779 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.117 -35.188 29.213 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.238 -33.101 31.922 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.160 -33.238 30.421 1.00 0.00 H new ATOM 683 N VAL A 43 -6.656 -36.307 37.482 1.00 0.00 N ATOM 684 CA VAL A 43 -6.936 -35.823 38.822 1.00 0.00 C ATOM 685 C VAL A 43 -6.964 -34.304 38.866 1.00 0.00 C ATOM 686 O VAL A 43 -6.052 -33.636 38.378 1.00 0.00 O ATOM 687 CB VAL A 43 -5.925 -36.367 39.877 1.00 0.00 C ATOM 688 CG1 VAL A 43 -4.500 -36.061 39.483 1.00 0.00 C ATOM 689 CG2 VAL A 43 -6.224 -35.796 41.252 1.00 0.00 C ATOM 0 H VAL A 43 -5.683 -36.212 37.190 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.924 -36.204 39.083 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.040 -37.450 39.915 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.821 -36.454 40.240 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.280 -36.526 38.522 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.368 -34.982 39.403 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.507 -36.189 41.973 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.148 -34.709 41.219 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.233 -36.080 41.552 1.00 0.00 H new ATOM 699 N PHE A 44 -8.027 -33.773 39.439 1.00 0.00 N ATOM 700 CA PHE A 44 -8.195 -32.343 39.573 1.00 0.00 C ATOM 701 C PHE A 44 -7.798 -31.904 40.973 1.00 0.00 C ATOM 702 O PHE A 44 -8.165 -32.547 41.967 1.00 0.00 O ATOM 703 CB PHE A 44 -9.652 -31.951 39.284 1.00 0.00 C ATOM 704 CG PHE A 44 -9.917 -30.472 39.381 1.00 0.00 C ATOM 705 CD1 PHE A 44 -9.576 -29.627 38.338 1.00 0.00 C ATOM 706 CD2 PHE A 44 -10.511 -29.930 40.511 1.00 0.00 C ATOM 707 CE1 PHE A 44 -9.820 -28.269 38.421 1.00 0.00 C ATOM 708 CE2 PHE A 44 -10.755 -28.573 40.599 1.00 0.00 C ATOM 709 CZ PHE A 44 -10.409 -27.742 39.553 1.00 0.00 C ATOM 0 H PHE A 44 -8.796 -34.322 39.823 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.551 -31.841 38.851 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.918 -32.293 38.284 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.304 -32.474 39.984 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.114 -30.034 37.450 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -10.786 -30.576 41.332 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.550 -27.620 37.601 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.216 -28.163 41.485 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.599 -26.681 39.620 1.00 0.00 H new ATOM 719 N LEU A 45 -7.038 -30.829 41.056 1.00 0.00 N ATOM 720 CA LEU A 45 -6.607 -30.316 42.339 1.00 0.00 C ATOM 721 C LEU A 45 -7.715 -29.463 42.953 1.00 0.00 C ATOM 722 O LEU A 45 -7.793 -28.256 42.716 1.00 0.00 O ATOM 723 CB LEU A 45 -5.319 -29.496 42.196 1.00 0.00 C ATOM 724 CG LEU A 45 -4.152 -30.195 41.480 1.00 0.00 C ATOM 725 CD1 LEU A 45 -2.932 -29.306 41.467 1.00 0.00 C ATOM 726 CD2 LEU A 45 -3.825 -31.528 42.132 1.00 0.00 C ATOM 0 H LEU A 45 -6.708 -30.296 40.251 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.398 -31.159 42.998 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.554 -28.579 41.656 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.986 -29.203 43.192 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.458 -30.388 40.452 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.115 -29.816 40.956 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.164 -28.378 40.944 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.635 -29.081 42.491 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.996 -31.998 41.603 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.546 -31.365 43.173 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.699 -32.178 42.088 1.00 0.00 H new ATOM 738 N LYS A 46 -8.587 -30.116 43.713 1.00 0.00 N ATOM 739 CA LYS A 46 -9.724 -29.457 44.349 1.00 0.00 C ATOM 740 C LYS A 46 -9.265 -28.500 45.444 1.00 0.00 C ATOM 741 O LYS A 46 -8.430 -28.849 46.267 1.00 0.00 O ATOM 742 CB LYS A 46 -10.660 -30.504 44.957 1.00 0.00 C ATOM 743 CG LYS A 46 -11.893 -29.916 45.625 1.00 0.00 C ATOM 744 CD LYS A 46 -12.744 -30.996 46.264 1.00 0.00 C ATOM 745 CE LYS A 46 -13.972 -30.408 46.942 1.00 0.00 C ATOM 746 NZ LYS A 46 -14.804 -31.458 47.573 1.00 0.00 N ATOM 0 H LYS A 46 -8.527 -31.116 43.906 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.251 -28.886 43.585 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.977 -31.192 44.173 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.106 -31.090 45.691 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.589 -29.194 46.383 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.484 -29.373 44.887 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -13.055 -31.713 45.504 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -12.150 -31.544 46.996 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -13.660 -29.687 47.698 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.567 -29.864 46.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.632 -31.020 48.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -15.122 -32.132 46.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -14.243 -31.961 48.290 1.00 0.00 H new ATOM 760 N GLY A 47 -9.829 -27.313 45.457 1.00 0.00 N ATOM 761 CA GLY A 47 -9.483 -26.340 46.466 1.00 0.00 C ATOM 762 C GLY A 47 -8.293 -25.496 46.067 1.00 0.00 C ATOM 763 O GLY A 47 -8.228 -24.994 44.939 1.00 0.00 O ATOM 0 H GLY A 47 -10.527 -27.000 44.782 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.339 -25.692 46.651 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.264 -26.853 47.402 1.00 0.00 H new ATOM 767 N ARG A 48 -7.343 -25.350 46.981 1.00 0.00 N ATOM 768 CA ARG A 48 -6.159 -24.538 46.733 1.00 0.00 C ATOM 769 C ARG A 48 -4.911 -25.412 46.613 1.00 0.00 C ATOM 770 O ARG A 48 -3.785 -24.917 46.703 1.00 0.00 O ATOM 771 CB ARG A 48 -5.967 -23.501 47.851 1.00 0.00 C ATOM 772 CG ARG A 48 -5.562 -24.094 49.196 1.00 0.00 C ATOM 773 CD ARG A 48 -5.369 -23.014 50.253 1.00 0.00 C ATOM 774 NE ARG A 48 -6.631 -22.352 50.604 1.00 0.00 N ATOM 775 CZ ARG A 48 -6.741 -21.073 50.995 1.00 0.00 C ATOM 776 NH1 ARG A 48 -5.673 -20.284 51.023 1.00 0.00 N ATOM 777 NH2 ARG A 48 -7.924 -20.592 51.350 1.00 0.00 N ATOM 0 H ARG A 48 -7.369 -25.785 47.903 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.308 -24.014 45.789 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.207 -22.785 47.539 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.896 -22.945 47.978 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.326 -24.796 49.529 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.637 -24.660 49.081 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.932 -23.457 51.148 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.660 -22.271 49.886 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.487 -22.904 50.547 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.762 -20.649 50.746 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.764 -19.313 51.321 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.747 -21.194 51.326 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.011 -19.620 51.648 1.00 0.00 H new ATOM 791 N GLU A 49 -5.117 -26.707 46.368 1.00 0.00 N ATOM 792 CA GLU A 49 -4.016 -27.678 46.281 1.00 0.00 C ATOM 793 C GLU A 49 -3.161 -27.435 45.035 1.00 0.00 C ATOM 794 O GLU A 49 -2.153 -28.108 44.818 1.00 0.00 O ATOM 795 CB GLU A 49 -4.569 -29.101 46.237 1.00 0.00 C ATOM 796 CG GLU A 49 -5.638 -29.384 47.271 1.00 0.00 C ATOM 797 CD GLU A 49 -5.180 -29.123 48.682 1.00 0.00 C ATOM 798 OE1 GLU A 49 -4.236 -29.793 49.139 1.00 0.00 O ATOM 799 OE2 GLU A 49 -5.771 -28.245 49.346 1.00 0.00 O ATOM 0 H GLU A 49 -6.042 -27.113 46.225 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.393 -27.551 47.166 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.980 -29.288 45.245 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.747 -29.803 46.379 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.512 -28.768 47.059 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.953 -30.424 47.184 1.00 0.00 H new ATOM 806 N MET A 50 -3.568 -26.457 44.237 1.00 0.00 N ATOM 807 CA MET A 50 -2.893 -26.120 42.992 1.00 0.00 C ATOM 808 C MET A 50 -1.479 -25.593 43.231 1.00 0.00 C ATOM 809 O MET A 50 -0.686 -25.492 42.295 1.00 0.00 O ATOM 810 CB MET A 50 -3.709 -25.090 42.219 1.00 0.00 C ATOM 811 CG MET A 50 -5.021 -25.630 41.668 1.00 0.00 C ATOM 812 SD MET A 50 -5.974 -24.368 40.802 1.00 0.00 S ATOM 813 CE MET A 50 -7.426 -25.306 40.322 1.00 0.00 C ATOM 0 H MET A 50 -4.380 -25.873 44.437 1.00 0.00 H new ATOM 0 HA MET A 50 -2.808 -27.035 42.407 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.922 -24.244 42.873 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.108 -24.711 41.393 1.00 0.00 H new ATOM 0 HG2 MET A 50 -4.814 -26.456 40.987 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.617 -26.034 42.487 1.00 0.00 H new ATOM 0 HE1 MET A 50 -8.112 -24.660 39.775 1.00 0.00 H new ATOM 0 HE2 MET A 50 -7.127 -26.139 39.685 1.00 0.00 H new ATOM 0 HE3 MET A 50 -7.922 -25.690 41.213 1.00 0.00 H new ATOM 823 N ALA A 51 -1.169 -25.259 44.479 1.00 0.00 N ATOM 824 CA ALA A 51 0.163 -24.784 44.839 1.00 0.00 C ATOM 825 C ALA A 51 1.205 -25.880 44.619 1.00 0.00 C ATOM 826 O ALA A 51 2.325 -25.608 44.183 1.00 0.00 O ATOM 827 CB ALA A 51 0.188 -24.312 46.283 1.00 0.00 C ATOM 0 H ALA A 51 -1.823 -25.308 45.260 1.00 0.00 H new ATOM 0 HA ALA A 51 0.410 -23.941 44.194 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.189 -23.961 46.534 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.525 -23.497 46.412 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.082 -25.138 46.941 1.00 0.00 H new ATOM 833 N THR A 52 0.830 -27.117 44.913 1.00 0.00 N ATOM 834 CA THR A 52 1.725 -28.247 44.742 1.00 0.00 C ATOM 835 C THR A 52 1.107 -29.323 43.855 1.00 0.00 C ATOM 836 O THR A 52 0.320 -30.154 44.316 1.00 0.00 O ATOM 837 CB THR A 52 2.140 -28.860 46.095 1.00 0.00 C ATOM 838 OG1 THR A 52 1.004 -28.924 46.967 1.00 0.00 O ATOM 839 CG2 THR A 52 3.245 -28.048 46.755 1.00 0.00 C ATOM 0 H THR A 52 -0.093 -27.362 45.273 1.00 0.00 H new ATOM 0 HA THR A 52 2.619 -27.862 44.251 1.00 0.00 H new ATOM 0 HB THR A 52 2.520 -29.864 45.908 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.262 -29.369 46.506 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.515 -28.506 47.706 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.118 -28.025 46.103 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.895 -27.031 46.929 1.00 0.00 H new ATOM 847 N PRO A 53 1.455 -29.307 42.563 1.00 0.00 N ATOM 848 CA PRO A 53 0.961 -30.281 41.573 1.00 0.00 C ATOM 849 C PRO A 53 1.400 -31.717 41.893 1.00 0.00 C ATOM 850 O PRO A 53 0.803 -32.686 41.410 1.00 0.00 O ATOM 851 CB PRO A 53 1.599 -29.797 40.261 1.00 0.00 C ATOM 852 CG PRO A 53 1.941 -28.371 40.518 1.00 0.00 C ATOM 853 CD PRO A 53 2.344 -28.312 41.946 1.00 0.00 C ATOM 0 HA PRO A 53 -0.128 -30.323 41.545 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.486 -30.380 40.012 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.908 -29.895 39.424 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.750 -28.038 39.868 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.088 -27.721 40.324 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.395 -28.565 42.083 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.198 -27.318 42.369 1.00 0.00 H new ATOM 861 N GLU A 54 2.440 -31.839 42.712 1.00 0.00 N ATOM 862 CA GLU A 54 2.969 -33.139 43.136 1.00 0.00 C ATOM 863 C GLU A 54 1.900 -33.966 43.870 1.00 0.00 C ATOM 864 O GLU A 54 1.998 -35.196 43.958 1.00 0.00 O ATOM 865 CB GLU A 54 4.202 -32.929 44.028 1.00 0.00 C ATOM 866 CG GLU A 54 4.866 -34.207 44.514 1.00 0.00 C ATOM 867 CD GLU A 54 6.126 -33.940 45.305 1.00 0.00 C ATOM 868 OE1 GLU A 54 6.782 -32.901 45.060 1.00 0.00 O ATOM 869 OE2 GLU A 54 6.462 -34.752 46.180 1.00 0.00 O ATOM 0 H GLU A 54 2.943 -31.042 43.103 1.00 0.00 H new ATOM 0 HA GLU A 54 3.261 -33.700 42.248 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.936 -32.343 43.476 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.909 -32.337 44.895 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.163 -34.765 45.133 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.105 -34.837 43.657 1.00 0.00 H new ATOM 876 N ALA A 55 0.870 -33.289 44.376 1.00 0.00 N ATOM 877 CA ALA A 55 -0.223 -33.959 45.069 1.00 0.00 C ATOM 878 C ALA A 55 -0.920 -34.946 44.133 1.00 0.00 C ATOM 879 O ALA A 55 -1.299 -36.046 44.538 1.00 0.00 O ATOM 880 CB ALA A 55 -1.215 -32.931 45.598 1.00 0.00 C ATOM 0 H ALA A 55 0.772 -32.275 44.317 1.00 0.00 H new ATOM 0 HA ALA A 55 0.184 -34.516 45.913 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.028 -33.442 46.114 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.709 -32.261 46.293 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.619 -32.354 44.766 1.00 0.00 H new ATOM 886 N GLY A 56 -1.070 -34.547 42.875 1.00 0.00 N ATOM 887 CA GLY A 56 -1.668 -35.417 41.885 1.00 0.00 C ATOM 888 C GLY A 56 -0.808 -36.622 41.608 1.00 0.00 C ATOM 889 O GLY A 56 -1.311 -37.731 41.444 1.00 0.00 O ATOM 0 H GLY A 56 -0.786 -33.632 42.524 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.649 -35.742 42.232 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.825 -34.862 40.960 1.00 0.00 H new ATOM 893 N VAL A 57 0.494 -36.400 41.569 1.00 0.00 N ATOM 894 CA VAL A 57 1.453 -37.460 41.306 1.00 0.00 C ATOM 895 C VAL A 57 1.421 -38.505 42.419 1.00 0.00 C ATOM 896 O VAL A 57 1.384 -39.701 42.151 1.00 0.00 O ATOM 897 CB VAL A 57 2.886 -36.892 41.160 1.00 0.00 C ATOM 898 CG1 VAL A 57 3.898 -38.009 40.957 1.00 0.00 C ATOM 899 CG2 VAL A 57 2.949 -35.902 40.010 1.00 0.00 C ATOM 0 H VAL A 57 0.916 -35.483 41.718 1.00 0.00 H new ATOM 0 HA VAL A 57 1.171 -37.935 40.366 1.00 0.00 H new ATOM 0 HB VAL A 57 3.139 -36.371 42.083 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.896 -37.582 40.857 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.875 -38.681 41.815 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.649 -38.565 40.053 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.963 -35.512 39.921 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.670 -36.403 39.083 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.259 -35.080 40.200 1.00 0.00 H new ATOM 909 N ALA A 58 1.402 -38.038 43.665 1.00 0.00 N ATOM 910 CA ALA A 58 1.376 -38.925 44.821 1.00 0.00 C ATOM 911 C ALA A 58 0.143 -39.818 44.798 1.00 0.00 C ATOM 912 O ALA A 58 0.217 -41.009 45.111 1.00 0.00 O ATOM 913 CB ALA A 58 1.408 -38.112 46.108 1.00 0.00 C ATOM 0 H ALA A 58 1.404 -37.045 43.899 1.00 0.00 H new ATOM 0 HA ALA A 58 2.259 -39.562 44.779 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.388 -38.786 46.965 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.319 -37.514 46.138 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.540 -37.454 46.144 1.00 0.00 H new ATOM 919 N LEU A 59 -0.990 -39.234 44.417 1.00 0.00 N ATOM 920 CA LEU A 59 -2.241 -39.971 44.325 1.00 0.00 C ATOM 921 C LEU A 59 -2.125 -41.069 43.269 1.00 0.00 C ATOM 922 O LEU A 59 -2.509 -42.219 43.501 1.00 0.00 O ATOM 923 CB LEU A 59 -3.375 -39.013 43.946 1.00 0.00 C ATOM 924 CG LEU A 59 -4.763 -39.635 43.792 1.00 0.00 C ATOM 925 CD1 LEU A 59 -5.316 -40.069 45.135 1.00 0.00 C ATOM 926 CD2 LEU A 59 -5.709 -38.667 43.116 1.00 0.00 C ATOM 0 H LEU A 59 -1.064 -38.248 44.167 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.457 -40.427 45.291 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.432 -38.233 44.705 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.112 -38.526 43.007 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.667 -40.520 43.163 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.304 -40.508 44.997 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.650 -40.807 45.581 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.392 -39.204 45.794 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.691 -39.128 43.016 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.793 -37.761 43.716 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.325 -38.413 42.128 1.00 0.00 H new ATOM 938 N LEU A 60 -1.572 -40.700 42.117 1.00 0.00 N ATOM 939 CA LEU A 60 -1.405 -41.614 41.001 1.00 0.00 C ATOM 940 C LEU A 60 -0.430 -42.742 41.334 1.00 0.00 C ATOM 941 O LEU A 60 -0.665 -43.893 40.979 1.00 0.00 O ATOM 942 CB LEU A 60 -0.951 -40.852 39.764 1.00 0.00 C ATOM 943 CG LEU A 60 -1.963 -39.841 39.211 1.00 0.00 C ATOM 944 CD1 LEU A 60 -1.398 -39.115 38.018 1.00 0.00 C ATOM 945 CD2 LEU A 60 -3.267 -40.519 38.841 1.00 0.00 C ATOM 0 H LEU A 60 -1.228 -39.757 41.935 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.371 -42.075 40.797 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.027 -40.324 40.001 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.715 -41.572 38.980 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.166 -39.114 39.997 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.134 -38.403 37.643 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.494 -38.582 38.311 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.157 -39.834 37.235 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.965 -39.778 38.452 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.080 -41.276 38.079 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.695 -40.992 39.725 1.00 0.00 H new ATOM 957 N GLU A 61 0.662 -42.403 42.023 1.00 0.00 N ATOM 958 CA GLU A 61 1.667 -43.386 42.432 1.00 0.00 C ATOM 959 C GLU A 61 1.044 -44.474 43.299 1.00 0.00 C ATOM 960 O GLU A 61 1.336 -45.662 43.126 1.00 0.00 O ATOM 961 CB GLU A 61 2.785 -42.690 43.209 1.00 0.00 C ATOM 962 CG GLU A 61 3.675 -41.797 42.363 1.00 0.00 C ATOM 963 CD GLU A 61 4.564 -42.583 41.425 1.00 0.00 C ATOM 964 OE1 GLU A 61 5.407 -43.367 41.919 1.00 0.00 O ATOM 965 OE2 GLU A 61 4.436 -42.428 40.198 1.00 0.00 O ATOM 0 H GLU A 61 0.873 -41.448 42.311 1.00 0.00 H new ATOM 0 HA GLU A 61 2.076 -43.850 41.535 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.340 -42.091 44.004 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.403 -43.448 43.690 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.053 -41.116 41.783 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.295 -41.184 43.017 1.00 0.00 H new ATOM 972 N LYS A 62 0.184 -44.066 44.231 1.00 0.00 N ATOM 973 CA LYS A 62 -0.474 -45.003 45.123 1.00 0.00 C ATOM 974 C LYS A 62 -1.387 -45.933 44.320 1.00 0.00 C ATOM 975 O LYS A 62 -1.455 -47.139 44.571 1.00 0.00 O ATOM 976 CB LYS A 62 -1.285 -44.248 46.183 1.00 0.00 C ATOM 977 CG LYS A 62 -1.825 -45.138 47.289 1.00 0.00 C ATOM 978 CD LYS A 62 -2.596 -44.338 48.331 1.00 0.00 C ATOM 979 CE LYS A 62 -2.998 -45.213 49.518 1.00 0.00 C ATOM 980 NZ LYS A 62 -3.810 -46.387 49.111 1.00 0.00 N ATOM 0 H LYS A 62 -0.070 -43.090 44.383 1.00 0.00 H new ATOM 0 HA LYS A 62 0.284 -45.601 45.628 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.657 -43.475 46.625 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.119 -43.742 45.697 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.477 -45.898 46.859 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.999 -45.662 47.770 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.984 -43.507 48.680 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.488 -43.908 47.875 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.100 -45.557 50.032 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.564 -44.614 50.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.142 -46.890 49.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.629 -46.067 48.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.229 -47.027 48.533 1.00 0.00 H new ATOM 994 N ILE A 63 -2.088 -45.354 43.362 1.00 0.00 N ATOM 995 CA ILE A 63 -2.981 -46.092 42.485 1.00 0.00 C ATOM 996 C ILE A 63 -2.211 -47.080 41.609 1.00 0.00 C ATOM 997 O ILE A 63 -2.616 -48.235 41.445 1.00 0.00 O ATOM 998 CB ILE A 63 -3.793 -45.121 41.601 1.00 0.00 C ATOM 999 CG1 ILE A 63 -4.763 -44.335 42.471 1.00 0.00 C ATOM 1000 CG2 ILE A 63 -4.533 -45.856 40.484 1.00 0.00 C ATOM 1001 CD1 ILE A 63 -5.485 -43.233 41.746 1.00 0.00 C ATOM 0 H ILE A 63 -2.054 -44.353 43.169 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.667 -46.660 43.113 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.100 -44.431 41.120 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.498 -45.023 42.889 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.215 -43.905 43.310 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.092 -45.138 39.884 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.813 -46.375 39.851 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.222 -46.580 40.919 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.156 -42.722 42.436 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.760 -42.521 41.351 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.063 -43.656 40.924 1.00 0.00 H new ATOM 1013 N TRP A 64 -1.095 -46.618 41.064 1.00 0.00 N ATOM 1014 CA TRP A 64 -0.276 -47.426 40.191 1.00 0.00 C ATOM 1015 C TRP A 64 0.200 -48.704 40.871 1.00 0.00 C ATOM 1016 O TRP A 64 0.168 -49.770 40.271 1.00 0.00 O ATOM 1017 CB TRP A 64 0.912 -46.623 39.656 1.00 0.00 C ATOM 1018 CG TRP A 64 1.778 -47.422 38.739 1.00 0.00 C ATOM 1019 CD1 TRP A 64 3.112 -47.650 38.860 1.00 0.00 C ATOM 1020 CD2 TRP A 64 1.355 -48.135 37.574 1.00 0.00 C ATOM 1021 NE1 TRP A 64 3.544 -48.450 37.830 1.00 0.00 N ATOM 1022 CE2 TRP A 64 2.483 -48.763 37.038 1.00 0.00 C ATOM 1023 CE3 TRP A 64 0.127 -48.303 36.936 1.00 0.00 C ATOM 1024 CZ2 TRP A 64 2.424 -49.544 35.900 1.00 0.00 C ATOM 1025 CZ3 TRP A 64 0.072 -49.075 35.806 1.00 0.00 C ATOM 1026 CH2 TRP A 64 1.211 -49.687 35.300 1.00 0.00 C ATOM 0 H TRP A 64 -0.738 -45.675 41.218 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.902 -47.721 39.349 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.543 -45.744 39.128 1.00 0.00 H new ATOM 0 HB3 TRP A 64 1.510 -46.264 40.494 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.739 -47.260 39.648 1.00 0.00 H new ATOM 0 HE1 TRP A 64 4.505 -48.759 37.683 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -0.764 -47.833 37.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 3.307 -50.023 35.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.873 -49.210 35.300 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.132 -50.291 34.408 1.00 0.00 H new ATOM 1037 N THR A 65 0.594 -48.611 42.132 1.00 0.00 N ATOM 1038 CA THR A 65 1.084 -49.781 42.850 1.00 0.00 C ATOM 1039 C THR A 65 -0.002 -50.865 43.017 1.00 0.00 C ATOM 1040 O THR A 65 0.305 -52.021 43.311 1.00 0.00 O ATOM 1041 CB THR A 65 1.703 -49.400 44.223 1.00 0.00 C ATOM 1042 OG1 THR A 65 0.886 -48.426 44.902 1.00 0.00 O ATOM 1043 CG2 THR A 65 3.107 -48.841 44.037 1.00 0.00 C ATOM 0 H THR A 65 0.585 -47.748 42.676 1.00 0.00 H new ATOM 0 HA THR A 65 1.875 -50.208 42.234 1.00 0.00 H new ATOM 0 HB THR A 65 1.752 -50.304 44.829 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.006 -48.381 44.473 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.526 -48.579 45.009 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.737 -49.592 43.560 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.064 -47.951 43.409 1.00 0.00 H new ATOM 1051 N MET A 66 -1.262 -50.483 42.824 1.00 0.00 N ATOM 1052 CA MET A 66 -2.376 -51.420 42.923 1.00 0.00 C ATOM 1053 C MET A 66 -2.623 -52.150 41.604 1.00 0.00 C ATOM 1054 O MET A 66 -2.926 -53.343 41.588 1.00 0.00 O ATOM 1055 CB MET A 66 -3.647 -50.683 43.315 1.00 0.00 C ATOM 1056 CG MET A 66 -3.627 -50.124 44.712 1.00 0.00 C ATOM 1057 SD MET A 66 -5.152 -49.273 45.127 1.00 0.00 S ATOM 1058 CE MET A 66 -4.702 -48.581 46.698 1.00 0.00 C ATOM 0 H MET A 66 -1.537 -49.527 42.597 1.00 0.00 H new ATOM 0 HA MET A 66 -2.111 -52.154 43.684 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.813 -49.867 42.611 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.493 -51.364 43.220 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.460 -50.934 45.423 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.789 -49.434 44.813 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.542 -48.015 47.101 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.441 -49.384 47.388 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.846 -47.918 46.572 1.00 0.00 H new ATOM 1068 N ILE A 67 -2.495 -51.427 40.496 1.00 0.00 N ATOM 1069 CA ILE A 67 -2.833 -51.973 39.182 1.00 0.00 C ATOM 1070 C ILE A 67 -1.622 -52.409 38.364 1.00 0.00 C ATOM 1071 O ILE A 67 -1.784 -53.017 37.315 1.00 0.00 O ATOM 1072 CB ILE A 67 -3.654 -50.963 38.357 1.00 0.00 C ATOM 1073 CG1 ILE A 67 -2.898 -49.630 38.226 1.00 0.00 C ATOM 1074 CG2 ILE A 67 -5.025 -50.756 38.978 1.00 0.00 C ATOM 1075 CD1 ILE A 67 -3.597 -48.615 37.348 1.00 0.00 C ATOM 0 H ILE A 67 -2.161 -50.464 40.479 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.424 -52.865 39.390 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.796 -51.368 37.355 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.759 -49.203 39.219 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.905 -49.825 37.821 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.590 -50.040 38.382 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.559 -51.706 39.006 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.911 -50.374 39.992 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.004 -47.702 37.304 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.712 -49.021 36.343 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.579 -48.390 37.763 1.00 0.00 H new ATOM 1087 N GLU A 68 -0.417 -52.124 38.842 1.00 0.00 N ATOM 1088 CA GLU A 68 0.802 -52.456 38.088 1.00 0.00 C ATOM 1089 C GLU A 68 0.890 -53.955 37.760 1.00 0.00 C ATOM 1090 O GLU A 68 1.474 -54.347 36.751 1.00 0.00 O ATOM 1091 CB GLU A 68 2.058 -52.022 38.844 1.00 0.00 C ATOM 1092 CG GLU A 68 2.221 -52.679 40.199 1.00 0.00 C ATOM 1093 CD GLU A 68 3.597 -52.469 40.788 1.00 0.00 C ATOM 1094 OE1 GLU A 68 4.502 -53.287 40.496 1.00 0.00 O ATOM 1095 OE2 GLU A 68 3.782 -51.509 41.555 1.00 0.00 O ATOM 0 H GLU A 68 -0.250 -51.668 39.739 1.00 0.00 H new ATOM 0 HA GLU A 68 0.743 -51.905 37.149 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.933 -52.249 38.234 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.034 -50.940 38.977 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.473 -52.280 40.884 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.030 -53.748 40.105 1.00 0.00 H new ATOM 1102 N ASN A 69 0.296 -54.777 38.607 1.00 0.00 N ATOM 1103 CA ASN A 69 0.329 -56.228 38.428 1.00 0.00 C ATOM 1104 C ASN A 69 -0.442 -56.685 37.183 1.00 0.00 C ATOM 1105 O ASN A 69 -0.184 -57.767 36.651 1.00 0.00 O ATOM 1106 CB ASN A 69 -0.184 -56.947 39.684 1.00 0.00 C ATOM 1107 CG ASN A 69 -1.528 -56.427 40.182 1.00 0.00 C ATOM 1108 OD1 ASN A 69 -2.355 -55.946 39.410 1.00 0.00 O ATOM 1109 ND2 ASN A 69 -1.744 -56.513 41.477 1.00 0.00 N ATOM 0 H ASN A 69 -0.219 -54.468 39.431 1.00 0.00 H new ATOM 0 HA ASN A 69 1.372 -56.502 38.272 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.273 -58.012 39.471 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.554 -56.841 40.479 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.622 -56.174 41.871 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.034 -56.919 42.087 1.00 0.00 H new ATOM 1116 N GLU A 70 -1.373 -55.863 36.714 1.00 0.00 N ATOM 1117 CA GLU A 70 -2.147 -56.202 35.524 1.00 0.00 C ATOM 1118 C GLU A 70 -2.158 -55.060 34.520 1.00 0.00 C ATOM 1119 O GLU A 70 -2.869 -55.112 33.520 1.00 0.00 O ATOM 1120 CB GLU A 70 -3.580 -56.577 35.886 1.00 0.00 C ATOM 1121 CG GLU A 70 -3.708 -57.854 36.692 1.00 0.00 C ATOM 1122 CD GLU A 70 -5.143 -58.241 36.915 1.00 0.00 C ATOM 1123 OE1 GLU A 70 -5.852 -58.496 35.921 1.00 0.00 O ATOM 1124 OE2 GLU A 70 -5.574 -58.312 38.082 1.00 0.00 O ATOM 0 H GLU A 70 -1.610 -54.964 37.134 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.660 -57.063 35.066 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.025 -55.758 36.452 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.158 -56.682 34.968 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.191 -58.662 36.174 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.214 -57.725 37.655 1.00 0.00 H new ATOM 1131 N ALA A 71 -1.362 -54.046 34.772 1.00 0.00 N ATOM 1132 CA ALA A 71 -1.324 -52.888 33.905 1.00 0.00 C ATOM 1133 C ALA A 71 0.100 -52.446 33.648 1.00 0.00 C ATOM 1134 O ALA A 71 0.990 -52.688 34.460 1.00 0.00 O ATOM 1135 CB ALA A 71 -2.132 -51.744 34.515 1.00 0.00 C ATOM 0 H ALA A 71 -0.731 -53.999 35.572 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.769 -53.166 32.950 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.095 -50.879 33.853 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.168 -52.058 34.644 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.710 -51.477 35.484 1.00 0.00 H new ATOM 1141 N ASN A 72 0.315 -51.838 32.501 1.00 0.00 N ATOM 1142 CA ASN A 72 1.605 -51.278 32.146 1.00 0.00 C ATOM 1143 C ASN A 72 1.454 -49.777 32.075 1.00 0.00 C ATOM 1144 O ASN A 72 0.364 -49.277 31.800 1.00 0.00 O ATOM 1145 CB ASN A 72 2.082 -51.795 30.787 1.00 0.00 C ATOM 1146 CG ASN A 72 2.250 -53.306 30.731 1.00 0.00 C ATOM 1147 OD1 ASN A 72 2.562 -53.956 31.731 1.00 0.00 O ATOM 1148 ND2 ASN A 72 2.042 -53.875 29.556 1.00 0.00 N ATOM 0 H ASN A 72 -0.401 -51.717 31.785 1.00 0.00 H new ATOM 0 HA ASN A 72 2.340 -51.571 32.895 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.369 -51.489 30.021 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.034 -51.323 30.543 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.138 -54.885 29.454 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.785 -53.304 28.751 1.00 0.00 H new ATOM 1155 N ARG A 73 2.507 -49.053 32.316 1.00 0.00 N ATOM 1156 CA ARG A 73 2.407 -47.606 32.281 1.00 0.00 C ATOM 1157 C ARG A 73 2.816 -47.111 30.895 1.00 0.00 C ATOM 1158 O ARG A 73 3.862 -47.498 30.372 1.00 0.00 O ATOM 1159 CB ARG A 73 3.252 -46.956 33.398 1.00 0.00 C ATOM 1160 CG ARG A 73 4.725 -46.785 33.087 1.00 0.00 C ATOM 1161 CD ARG A 73 5.497 -46.374 34.333 1.00 0.00 C ATOM 1162 NE ARG A 73 6.904 -46.113 34.049 1.00 0.00 N ATOM 1163 CZ ARG A 73 7.914 -46.922 34.377 1.00 0.00 C ATOM 1164 NH1 ARG A 73 7.677 -48.086 34.975 1.00 0.00 N ATOM 1165 NH2 ARG A 73 9.162 -46.565 34.104 1.00 0.00 N ATOM 0 H ARG A 73 3.432 -49.422 32.536 1.00 0.00 H new ATOM 0 HA ARG A 73 1.374 -47.311 32.468 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.831 -45.977 33.625 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.157 -47.561 34.300 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.129 -47.718 32.695 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.852 -46.031 32.310 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.043 -45.480 34.761 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.419 -47.162 35.083 1.00 0.00 H new ATOM 0 HE ARG A 73 7.134 -45.246 33.563 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.719 -48.365 35.186 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.453 -48.699 35.223 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.349 -45.674 33.644 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.935 -47.182 34.354 1.00 0.00 H new ATOM 1179 N ASP A 74 1.976 -46.297 30.286 1.00 0.00 N ATOM 1180 CA ASP A 74 2.246 -45.808 28.937 1.00 0.00 C ATOM 1181 C ASP A 74 3.020 -44.512 28.995 1.00 0.00 C ATOM 1182 O ASP A 74 3.516 -44.018 27.977 1.00 0.00 O ATOM 1183 CB ASP A 74 0.935 -45.599 28.177 1.00 0.00 C ATOM 1184 CG ASP A 74 1.139 -45.398 26.680 1.00 0.00 C ATOM 1185 OD1 ASP A 74 1.533 -46.369 25.991 1.00 0.00 O ATOM 1186 OD2 ASP A 74 0.908 -44.275 26.186 1.00 0.00 O ATOM 0 H ASP A 74 1.105 -45.959 30.696 1.00 0.00 H new ATOM 0 HA ASP A 74 2.844 -46.553 28.412 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.287 -46.461 28.337 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.418 -44.731 28.587 1.00 0.00 H new ATOM 1191 N LYS A 75 3.150 -43.979 30.198 1.00 0.00 N ATOM 1192 CA LYS A 75 3.825 -42.706 30.407 1.00 0.00 C ATOM 1193 C LYS A 75 3.898 -42.411 31.892 1.00 0.00 C ATOM 1194 O LYS A 75 3.193 -43.037 32.687 1.00 0.00 O ATOM 1195 CB LYS A 75 3.066 -41.568 29.695 1.00 0.00 C ATOM 1196 CG LYS A 75 3.907 -40.320 29.458 1.00 0.00 C ATOM 1197 CD LYS A 75 3.144 -39.272 28.665 1.00 0.00 C ATOM 1198 CE LYS A 75 4.038 -38.100 28.294 1.00 0.00 C ATOM 1199 NZ LYS A 75 4.637 -37.433 29.484 1.00 0.00 N ATOM 0 H LYS A 75 2.795 -44.410 31.051 1.00 0.00 H new ATOM 0 HA LYS A 75 4.831 -42.771 29.992 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.698 -41.934 28.736 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.193 -41.299 30.290 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.213 -39.900 30.416 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.817 -40.590 28.923 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.738 -39.723 27.760 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.297 -38.915 29.251 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.836 -38.450 27.639 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.458 -37.371 27.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.139 -36.573 29.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.884 -37.178 30.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.306 -38.082 29.945 1.00 0.00 H new ATOM 1213 N GLU A 76 4.743 -41.468 32.261 1.00 0.00 N ATOM 1214 CA GLU A 76 4.872 -41.060 33.645 1.00 0.00 C ATOM 1215 C GLU A 76 3.821 -39.993 33.948 1.00 0.00 C ATOM 1216 O GLU A 76 3.432 -39.236 33.049 1.00 0.00 O ATOM 1217 CB GLU A 76 6.268 -40.481 33.890 1.00 0.00 C ATOM 1218 CG GLU A 76 7.407 -41.303 33.301 1.00 0.00 C ATOM 1219 CD GLU A 76 7.523 -42.685 33.895 1.00 0.00 C ATOM 1220 OE1 GLU A 76 7.947 -42.797 35.064 1.00 0.00 O ATOM 1221 OE2 GLU A 76 7.231 -43.666 33.186 1.00 0.00 O ATOM 0 H GLU A 76 5.354 -40.967 31.616 1.00 0.00 H new ATOM 0 HA GLU A 76 4.725 -41.924 34.294 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.309 -39.475 33.471 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.424 -40.385 34.965 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.262 -41.390 32.224 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.346 -40.771 33.454 1.00 0.00 H new ATOM 1228 N PRO A 77 3.330 -39.929 35.199 1.00 0.00 N ATOM 1229 CA PRO A 77 2.349 -38.913 35.608 1.00 0.00 C ATOM 1230 C PRO A 77 2.885 -37.495 35.399 1.00 0.00 C ATOM 1231 O PRO A 77 4.041 -37.200 35.707 1.00 0.00 O ATOM 1232 CB PRO A 77 2.138 -39.199 37.107 1.00 0.00 C ATOM 1233 CG PRO A 77 3.306 -40.040 37.508 1.00 0.00 C ATOM 1234 CD PRO A 77 3.665 -40.839 36.295 1.00 0.00 C ATOM 0 HA PRO A 77 1.430 -38.965 35.025 1.00 0.00 H new ATOM 0 HB2 PRO A 77 2.101 -38.275 37.684 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.197 -39.721 37.281 1.00 0.00 H new ATOM 0 HG2 PRO A 77 4.143 -39.420 37.830 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.051 -40.691 38.344 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.721 -41.111 36.287 1.00 0.00 H new ATOM 0 HD3 PRO A 77 3.096 -41.767 36.239 1.00 0.00 H new ATOM 1242 N ASN A 78 2.040 -36.630 34.871 1.00 0.00 N ATOM 1243 CA ASN A 78 2.430 -35.256 34.581 1.00 0.00 C ATOM 1244 C ASN A 78 1.274 -34.294 34.804 1.00 0.00 C ATOM 1245 O ASN A 78 0.127 -34.584 34.446 1.00 0.00 O ATOM 1246 CB ASN A 78 2.937 -35.141 33.129 1.00 0.00 C ATOM 1247 CG ASN A 78 3.238 -33.712 32.704 1.00 0.00 C ATOM 1248 OD1 ASN A 78 4.316 -33.185 32.967 1.00 0.00 O ATOM 1249 ND2 ASN A 78 2.291 -33.086 32.022 1.00 0.00 N ATOM 0 H ASN A 78 1.074 -36.852 34.632 1.00 0.00 H new ATOM 0 HA ASN A 78 3.234 -34.985 35.266 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.839 -35.742 33.019 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.189 -35.562 32.457 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.444 -32.132 31.695 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.409 -33.558 31.824 1.00 0.00 H new ATOM 1256 N PHE A 79 1.581 -33.155 35.394 1.00 0.00 N ATOM 1257 CA PHE A 79 0.605 -32.114 35.630 1.00 0.00 C ATOM 1258 C PHE A 79 0.448 -31.272 34.384 1.00 0.00 C ATOM 1259 O PHE A 79 1.401 -30.641 33.926 1.00 0.00 O ATOM 1260 CB PHE A 79 1.036 -31.235 36.812 1.00 0.00 C ATOM 1261 CG PHE A 79 0.133 -30.048 37.066 1.00 0.00 C ATOM 1262 CD1 PHE A 79 -1.069 -30.200 37.742 1.00 0.00 C ATOM 1263 CD2 PHE A 79 0.500 -28.779 36.642 1.00 0.00 C ATOM 1264 CE1 PHE A 79 -1.884 -29.117 37.985 1.00 0.00 C ATOM 1265 CE2 PHE A 79 -0.317 -27.692 36.882 1.00 0.00 C ATOM 1266 CZ PHE A 79 -1.509 -27.862 37.554 1.00 0.00 C ATOM 0 H PHE A 79 2.519 -32.927 35.724 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.352 -32.575 35.874 1.00 0.00 H new ATOM 0 HB2 PHE A 79 1.072 -31.849 37.712 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.049 -30.874 36.631 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.369 -31.180 38.082 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.434 -28.640 36.119 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.817 -29.251 38.513 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -0.023 -26.710 36.544 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.149 -27.013 37.743 1.00 0.00 H new ATOM 1276 N GLU A 80 -0.740 -31.270 33.840 1.00 0.00 N ATOM 1277 CA GLU A 80 -1.022 -30.522 32.646 1.00 0.00 C ATOM 1278 C GLU A 80 -2.275 -29.691 32.836 1.00 0.00 C ATOM 1279 O GLU A 80 -3.372 -30.233 33.032 1.00 0.00 O ATOM 1280 CB GLU A 80 -1.169 -31.464 31.459 1.00 0.00 C ATOM 1281 CG GLU A 80 -1.395 -30.758 30.136 1.00 0.00 C ATOM 1282 CD GLU A 80 -1.507 -31.725 28.996 1.00 0.00 C ATOM 1283 OE1 GLU A 80 -0.520 -32.424 28.713 1.00 0.00 O ATOM 1284 OE2 GLU A 80 -2.584 -31.791 28.371 1.00 0.00 O ATOM 0 H GLU A 80 -1.537 -31.786 34.212 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.191 -29.846 32.444 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.272 -32.079 31.383 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.004 -32.140 31.646 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.304 -30.160 30.195 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.572 -30.069 29.947 1.00 0.00 H new ATOM 1291 N GLY A 81 -2.115 -28.384 32.801 1.00 0.00 N ATOM 1292 CA GLY A 81 -3.230 -27.497 32.970 1.00 0.00 C ATOM 1293 C GLY A 81 -3.687 -27.425 34.406 1.00 0.00 C ATOM 1294 O GLY A 81 -3.149 -26.658 35.200 1.00 0.00 O ATOM 0 H GLY A 81 -1.219 -27.919 32.656 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.954 -26.500 32.628 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.057 -27.832 32.343 1.00 0.00 H new ATOM 1298 N ARG A 82 -4.689 -28.217 34.733 1.00 0.00 N ATOM 1299 CA ARG A 82 -5.241 -28.259 36.077 1.00 0.00 C ATOM 1300 C ARG A 82 -5.397 -29.698 36.540 1.00 0.00 C ATOM 1301 O ARG A 82 -5.927 -29.962 37.621 1.00 0.00 O ATOM 1302 CB ARG A 82 -6.592 -27.547 36.102 1.00 0.00 C ATOM 1303 CG ARG A 82 -6.484 -26.040 35.961 1.00 0.00 C ATOM 1304 CD ARG A 82 -7.849 -25.392 35.854 1.00 0.00 C ATOM 1305 NE ARG A 82 -8.510 -25.752 34.600 1.00 0.00 N ATOM 1306 CZ ARG A 82 -9.713 -25.326 34.223 1.00 0.00 C ATOM 1307 NH1 ARG A 82 -10.429 -24.550 35.019 1.00 0.00 N ATOM 1308 NH2 ARG A 82 -10.196 -25.687 33.046 1.00 0.00 N ATOM 0 H ARG A 82 -5.145 -28.850 34.076 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.557 -27.750 36.757 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.214 -27.936 35.296 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.100 -27.781 37.038 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -5.952 -25.631 36.820 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.895 -25.798 35.076 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.468 -25.701 36.696 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -7.746 -24.309 35.915 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.011 -26.377 33.967 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.060 -24.274 35.929 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.350 -24.227 34.723 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.647 -26.289 32.432 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -11.118 -25.363 32.752 1.00 0.00 H new ATOM 1322 N TYR A 83 -4.927 -30.625 35.718 1.00 0.00 N ATOM 1323 CA TYR A 83 -5.068 -32.040 36.003 1.00 0.00 C ATOM 1324 C TYR A 83 -3.727 -32.751 35.920 1.00 0.00 C ATOM 1325 O TYR A 83 -2.885 -32.412 35.088 1.00 0.00 O ATOM 1326 CB TYR A 83 -6.030 -32.690 34.990 1.00 0.00 C ATOM 1327 CG TYR A 83 -7.435 -32.128 34.989 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -7.742 -30.972 34.276 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -8.459 -32.757 35.689 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -9.022 -30.460 34.260 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -9.739 -32.249 35.684 1.00 0.00 C ATOM 1332 CZ TYR A 83 -10.018 -31.100 34.965 1.00 0.00 C ATOM 1333 OH TYR A 83 -11.296 -30.593 34.948 1.00 0.00 O ATOM 0 H TYR A 83 -4.443 -30.418 34.845 1.00 0.00 H new ATOM 0 HA TYR A 83 -5.463 -32.136 37.014 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.610 -32.579 33.990 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.083 -33.759 35.197 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.963 -30.467 33.725 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.247 -33.658 36.245 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.242 -29.564 33.699 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.522 -32.745 36.239 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.880 -31.160 35.493 1.00 0.00 H new ATOM 1343 N VAL A 84 -3.527 -33.721 36.780 1.00 0.00 N ATOM 1344 CA VAL A 84 -2.355 -34.569 36.700 1.00 0.00 C ATOM 1345 C VAL A 84 -2.782 -35.852 36.010 1.00 0.00 C ATOM 1346 O VAL A 84 -3.696 -36.538 36.469 1.00 0.00 O ATOM 1347 CB VAL A 84 -1.748 -34.871 38.104 1.00 0.00 C ATOM 1348 CG1 VAL A 84 -0.593 -35.840 38.015 1.00 0.00 C ATOM 1349 CG2 VAL A 84 -1.284 -33.594 38.772 1.00 0.00 C ATOM 0 H VAL A 84 -4.161 -33.945 37.547 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.570 -34.061 36.139 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.536 -35.328 38.703 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.196 -36.026 39.013 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.938 -36.778 37.581 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.190 -35.416 37.386 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.864 -33.827 39.750 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.523 -33.116 38.155 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.131 -32.918 38.892 1.00 0.00 H new ATOM 1359 N ASN A 85 -2.148 -36.151 34.900 1.00 0.00 N ATOM 1360 CA ASN A 85 -2.569 -37.254 34.049 1.00 0.00 C ATOM 1361 C ASN A 85 -1.576 -38.395 34.039 1.00 0.00 C ATOM 1362 O ASN A 85 -0.364 -38.186 34.129 1.00 0.00 O ATOM 1363 CB ASN A 85 -2.768 -36.762 32.610 1.00 0.00 C ATOM 1364 CG ASN A 85 -3.898 -35.767 32.449 1.00 0.00 C ATOM 1365 OD1 ASN A 85 -5.035 -36.145 32.208 1.00 0.00 O ATOM 1366 ND2 ASN A 85 -3.585 -34.486 32.563 1.00 0.00 N ATOM 0 H ASN A 85 -1.331 -35.645 34.558 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.506 -37.627 34.463 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -1.842 -36.304 32.262 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.960 -37.621 31.967 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.305 -33.773 32.449 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.623 -34.212 32.765 1.00 0.00 H new ATOM 1373 N MET A 86 -2.103 -39.600 33.930 1.00 0.00 N ATOM 1374 CA MET A 86 -1.301 -40.805 33.789 1.00 0.00 C ATOM 1375 C MET A 86 -2.044 -41.805 32.906 1.00 0.00 C ATOM 1376 O MET A 86 -3.257 -41.987 33.050 1.00 0.00 O ATOM 1377 CB MET A 86 -0.984 -41.424 35.156 1.00 0.00 C ATOM 1378 CG MET A 86 -0.093 -42.659 35.090 1.00 0.00 C ATOM 1379 SD MET A 86 0.302 -43.327 36.719 1.00 0.00 S ATOM 1380 CE MET A 86 -1.310 -43.903 37.259 1.00 0.00 C ATOM 0 H MET A 86 -3.108 -39.774 33.937 1.00 0.00 H new ATOM 0 HA MET A 86 -0.352 -40.543 33.321 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.499 -40.673 35.779 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.920 -41.690 35.648 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.590 -43.428 34.498 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.832 -42.406 34.572 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.185 -44.688 38.005 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.866 -43.073 37.695 1.00 0.00 H new ATOM 0 HE3 MET A 86 -1.860 -44.298 36.405 1.00 0.00 H new ATOM 1390 N LEU A 87 -1.332 -42.423 31.986 1.00 0.00 N ATOM 1391 CA LEU A 87 -1.922 -43.397 31.073 1.00 0.00 C ATOM 1392 C LEU A 87 -1.476 -44.811 31.392 1.00 0.00 C ATOM 1393 O LEU A 87 -0.282 -45.070 31.579 1.00 0.00 O ATOM 1394 CB LEU A 87 -1.557 -43.061 29.628 1.00 0.00 C ATOM 1395 CG LEU A 87 -2.399 -41.991 28.944 1.00 0.00 C ATOM 1396 CD1 LEU A 87 -1.721 -41.532 27.660 1.00 0.00 C ATOM 1397 CD2 LEU A 87 -3.779 -42.546 28.629 1.00 0.00 C ATOM 0 H LEU A 87 -0.333 -42.270 31.845 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.003 -43.345 31.200 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.515 -42.741 29.605 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.623 -43.975 29.038 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.499 -41.137 29.614 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.331 -40.767 27.179 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.740 -41.119 27.894 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.606 -42.381 26.986 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.377 -41.777 28.140 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.683 -43.407 27.967 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.268 -42.853 29.554 1.00 0.00 H new ATOM 1409 N VAL A 88 -2.432 -45.722 31.448 1.00 0.00 N ATOM 1410 CA VAL A 88 -2.134 -47.117 31.706 1.00 0.00 C ATOM 1411 C VAL A 88 -2.625 -47.994 30.559 1.00 0.00 C ATOM 1412 O VAL A 88 -3.754 -47.843 30.071 1.00 0.00 O ATOM 1413 CB VAL A 88 -2.724 -47.614 33.049 1.00 0.00 C ATOM 1414 CG1 VAL A 88 -2.117 -46.845 34.209 1.00 0.00 C ATOM 1415 CG2 VAL A 88 -4.242 -47.502 33.066 1.00 0.00 C ATOM 0 H VAL A 88 -3.423 -45.518 31.318 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.049 -47.196 31.781 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.471 -48.669 33.157 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.541 -47.205 35.146 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.037 -46.994 34.219 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.336 -45.783 34.096 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.622 -47.859 34.023 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.532 -46.460 32.926 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.660 -48.106 32.261 1.00 0.00 H new ATOM 1425 N THR A 89 -1.769 -48.876 30.117 1.00 0.00 N ATOM 1426 CA THR A 89 -2.078 -49.761 29.017 1.00 0.00 C ATOM 1427 C THR A 89 -2.220 -51.186 29.552 1.00 0.00 C ATOM 1428 O THR A 89 -1.468 -51.587 30.444 1.00 0.00 O ATOM 1429 CB THR A 89 -0.924 -49.744 27.989 1.00 0.00 C ATOM 1430 OG1 THR A 89 -0.493 -48.404 27.738 1.00 0.00 O ATOM 1431 CG2 THR A 89 -1.332 -50.398 26.682 1.00 0.00 C ATOM 0 H THR A 89 -0.835 -49.004 30.507 1.00 0.00 H new ATOM 0 HA THR A 89 -3.002 -49.432 28.542 1.00 0.00 H new ATOM 0 HB THR A 89 -0.100 -50.315 28.418 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.078 -47.992 27.068 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.496 -50.368 25.983 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.614 -51.435 26.866 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.180 -49.862 26.256 1.00 0.00 H new ATOM 1439 N PRO A 90 -3.172 -51.966 29.040 1.00 0.00 N ATOM 1440 CA PRO A 90 -3.329 -53.354 29.451 1.00 0.00 C ATOM 1441 C PRO A 90 -2.146 -54.175 28.934 1.00 0.00 C ATOM 1442 O PRO A 90 -1.550 -53.827 27.906 1.00 0.00 O ATOM 1443 CB PRO A 90 -4.661 -53.750 28.796 1.00 0.00 C ATOM 1444 CG PRO A 90 -4.712 -52.909 27.574 1.00 0.00 C ATOM 1445 CD PRO A 90 -4.151 -51.584 27.998 1.00 0.00 C ATOM 0 HA PRO A 90 -3.343 -53.518 30.529 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.688 -54.812 28.553 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.506 -53.552 29.455 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.125 -53.347 26.767 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.733 -52.807 27.206 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.676 -51.061 27.168 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.924 -50.924 28.391 1.00 0.00 H new ATOM 1453 N LYS A 91 -1.785 -55.235 29.642 1.00 0.00 N ATOM 1454 CA LYS A 91 -0.616 -56.014 29.276 1.00 0.00 C ATOM 1455 C LYS A 91 -0.806 -56.739 27.950 1.00 0.00 C ATOM 1456 O LYS A 91 -1.556 -57.709 27.848 1.00 0.00 O ATOM 1457 CB LYS A 91 -0.227 -56.983 30.392 1.00 0.00 C ATOM 1458 CG LYS A 91 0.286 -56.284 31.647 1.00 0.00 C ATOM 1459 CD LYS A 91 0.671 -57.278 32.729 1.00 0.00 C ATOM 1460 CE LYS A 91 1.161 -56.572 33.990 1.00 0.00 C ATOM 1461 NZ LYS A 91 2.440 -55.838 33.772 1.00 0.00 N ATOM 0 H LYS A 91 -2.282 -55.572 30.467 1.00 0.00 H new ATOM 0 HA LYS A 91 0.208 -55.314 29.140 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -1.092 -57.593 30.652 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.542 -57.662 30.023 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.150 -55.670 31.393 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.482 -55.611 32.028 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.188 -57.904 32.972 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.452 -57.940 32.355 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.398 -55.872 34.331 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.298 -57.306 34.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.766 -55.433 34.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.159 -56.495 33.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.289 -55.074 33.083 1.00 0.00 H new