USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 958 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 53 GLN : amide:sc= -2.38 K(o=-7.8,f=-11!) USER MOD Set 1.2: A 55 SER OG : rot 49:sc= -1.33 USER MOD Set 1.3: A 99 HIS : no HD1:sc= -4.08 K(o=-7.8,f=-4.6) USER MOD Set 2.1: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0563 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0542 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 24 LYS NZ :NH3+ -130:sc= 0 (180deg=-1.68!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 159:sc= -4.24 USER MOD Single : A 29 SER OG : rot 48:sc= 1.13 USER MOD Single : A 30 MET CE :methyl -150:sc= -0.0499 (180deg=-0.73) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0079 USER MOD Single : A 38 SER OG : rot -170:sc= -0.149 USER MOD Single : A 46 SER OG : rot 63:sc= 0.0159 USER MOD Single : A 48 ASN : amide:sc=-0.00729 X(o=-0.0073,f=-0.0073) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.0793 X(o=-0.079,f=-0.13) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.416) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 130:sc= 0.0735 USER MOD Single : A 100 THR OG1 : rot -100:sc= -0.511 USER MOD Single : A 108 SER OG : rot -91:sc= 0.779 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 171:sc= 0.377 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 34:sc= 0.665 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.780 -29.367 -20.879 1.00 0.00 N ATOM 2 CA GLY A 1 -5.363 -29.354 -20.564 1.00 0.00 C ATOM 3 C GLY A 1 -5.069 -28.680 -19.239 1.00 0.00 C ATOM 4 O GLY A 1 -5.883 -27.906 -18.735 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.131 -30.346 -20.860 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.297 -28.800 -20.177 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.929 -28.964 -21.826 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.991 -30.378 -20.537 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.822 -28.839 -21.358 1.00 0.00 H new ATOM 8 N SER A 2 -3.903 -28.974 -18.673 1.00 0.00 N ATOM 9 CA SER A 2 -3.506 -28.394 -17.395 1.00 0.00 C ATOM 10 C SER A 2 -1.999 -28.514 -17.189 1.00 0.00 C ATOM 11 O SER A 2 -1.465 -29.616 -17.065 1.00 0.00 O ATOM 12 CB SER A 2 -4.246 -29.082 -16.247 1.00 0.00 C ATOM 13 OG SER A 2 -4.407 -28.206 -15.145 1.00 0.00 O ATOM 0 H SER A 2 -3.217 -29.610 -19.079 1.00 0.00 H new ATOM 0 HA SER A 2 -3.770 -27.337 -17.406 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.223 -29.421 -16.592 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.694 -29.968 -15.933 1.00 0.00 H new ATOM 0 HG SER A 2 -4.884 -28.670 -14.426 1.00 0.00 H new ATOM 19 N SER A 3 -1.320 -27.372 -17.152 1.00 0.00 N ATOM 20 CA SER A 3 0.126 -27.348 -16.965 1.00 0.00 C ATOM 21 C SER A 3 0.501 -26.516 -15.743 1.00 0.00 C ATOM 22 O SER A 3 0.134 -25.346 -15.637 1.00 0.00 O ATOM 23 CB SER A 3 0.813 -26.785 -18.210 1.00 0.00 C ATOM 24 OG SER A 3 2.137 -27.277 -18.328 1.00 0.00 O ATOM 0 H SER A 3 -1.748 -26.451 -17.249 1.00 0.00 H new ATOM 0 HA SER A 3 0.464 -28.372 -16.804 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.241 -27.054 -19.098 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.829 -25.696 -18.159 1.00 0.00 H new ATOM 0 HG SER A 3 2.554 -26.904 -19.132 1.00 0.00 H new ATOM 30 N GLY A 4 1.237 -27.129 -14.820 1.00 0.00 N ATOM 31 CA GLY A 4 1.650 -26.431 -13.617 1.00 0.00 C ATOM 32 C GLY A 4 1.093 -27.066 -12.358 1.00 0.00 C ATOM 33 O GLY A 4 -0.122 -27.177 -12.196 1.00 0.00 O ATOM 0 H GLY A 4 1.554 -28.096 -14.884 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.739 -26.419 -13.563 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.322 -25.393 -13.672 1.00 0.00 H new ATOM 37 N SER A 5 1.983 -27.484 -11.464 1.00 0.00 N ATOM 38 CA SER A 5 1.573 -28.116 -10.215 1.00 0.00 C ATOM 39 C SER A 5 1.968 -27.258 -9.017 1.00 0.00 C ATOM 40 O SER A 5 2.670 -26.257 -9.161 1.00 0.00 O ATOM 41 CB SER A 5 2.203 -29.505 -10.092 1.00 0.00 C ATOM 42 OG SER A 5 1.976 -30.274 -11.260 1.00 0.00 O ATOM 0 H SER A 5 2.992 -27.397 -11.581 1.00 0.00 H new ATOM 0 HA SER A 5 0.488 -28.216 -10.226 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.275 -29.407 -9.920 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.787 -30.021 -9.227 1.00 0.00 H new ATOM 0 HG SER A 5 2.390 -31.156 -11.156 1.00 0.00 H new ATOM 48 N SER A 6 1.511 -27.658 -7.835 1.00 0.00 N ATOM 49 CA SER A 6 1.812 -26.925 -6.611 1.00 0.00 C ATOM 50 C SER A 6 2.913 -27.621 -5.817 1.00 0.00 C ATOM 51 O SER A 6 3.096 -28.833 -5.919 1.00 0.00 O ATOM 52 CB SER A 6 0.554 -26.790 -5.750 1.00 0.00 C ATOM 53 OG SER A 6 -0.231 -25.685 -6.164 1.00 0.00 O ATOM 0 H SER A 6 0.931 -28.486 -7.699 1.00 0.00 H new ATOM 0 HA SER A 6 2.162 -25.931 -6.889 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.036 -27.704 -5.816 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.836 -26.668 -4.704 1.00 0.00 H new ATOM 0 HG SER A 6 -1.030 -25.621 -5.600 1.00 0.00 H new ATOM 59 N GLY A 7 3.645 -26.843 -5.026 1.00 0.00 N ATOM 60 CA GLY A 7 4.720 -27.401 -4.226 1.00 0.00 C ATOM 61 C GLY A 7 6.016 -26.628 -4.376 1.00 0.00 C ATOM 62 O GLY A 7 6.848 -26.955 -5.223 1.00 0.00 O ATOM 0 H GLY A 7 3.513 -25.837 -4.925 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.423 -27.406 -3.177 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.884 -28.439 -4.516 1.00 0.00 H new ATOM 66 N THR A 8 6.188 -25.599 -3.553 1.00 0.00 N ATOM 67 CA THR A 8 7.390 -24.776 -3.599 1.00 0.00 C ATOM 68 C THR A 8 8.165 -24.861 -2.289 1.00 0.00 C ATOM 69 O THR A 8 7.649 -24.512 -1.228 1.00 0.00 O ATOM 70 CB THR A 8 7.050 -23.301 -3.886 1.00 0.00 C ATOM 71 OG1 THR A 8 6.164 -23.212 -5.008 1.00 0.00 O ATOM 72 CG2 THR A 8 8.312 -22.499 -4.166 1.00 0.00 C ATOM 0 H THR A 8 5.510 -25.315 -2.846 1.00 0.00 H new ATOM 0 HA THR A 8 8.008 -25.163 -4.409 1.00 0.00 H new ATOM 0 HB THR A 8 6.563 -22.885 -3.004 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.951 -22.272 -5.183 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.047 -21.461 -4.366 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.972 -22.545 -3.300 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.823 -22.916 -5.034 1.00 0.00 H new ATOM 80 N ILE A 9 9.407 -25.325 -2.372 1.00 0.00 N ATOM 81 CA ILE A 9 10.254 -25.454 -1.193 1.00 0.00 C ATOM 82 C ILE A 9 10.936 -24.132 -0.859 1.00 0.00 C ATOM 83 O ILE A 9 10.826 -23.160 -1.606 1.00 0.00 O ATOM 84 CB ILE A 9 11.330 -26.539 -1.388 1.00 0.00 C ATOM 85 CG1 ILE A 9 12.253 -26.169 -2.551 1.00 0.00 C ATOM 86 CG2 ILE A 9 10.680 -27.892 -1.631 1.00 0.00 C ATOM 87 CD1 ILE A 9 13.615 -26.823 -2.473 1.00 0.00 C ATOM 0 H ILE A 9 9.849 -25.618 -3.243 1.00 0.00 H new ATOM 0 HA ILE A 9 9.604 -25.743 -0.368 1.00 0.00 H new ATOM 0 HB ILE A 9 11.929 -26.604 -0.479 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.775 -26.454 -3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 9 12.379 -25.087 -2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.453 -28.648 -1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.060 -28.157 -0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.060 -27.842 -2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 9 14.216 -26.516 -3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 9 14.113 -26.518 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.499 -27.907 -2.481 1.00 0.00 H new ATOM 99 N GLU A 10 11.642 -24.104 0.267 1.00 0.00 N ATOM 100 CA GLU A 10 12.343 -22.900 0.699 1.00 0.00 C ATOM 101 C GLU A 10 13.789 -22.909 0.212 1.00 0.00 C ATOM 102 O GLU A 10 14.382 -23.969 0.014 1.00 0.00 O ATOM 103 CB GLU A 10 12.307 -22.782 2.224 1.00 0.00 C ATOM 104 CG GLU A 10 12.972 -23.946 2.941 1.00 0.00 C ATOM 105 CD GLU A 10 12.044 -25.134 3.108 1.00 0.00 C ATOM 106 OE1 GLU A 10 11.111 -25.047 3.933 1.00 0.00 O ATOM 107 OE2 GLU A 10 12.252 -26.150 2.414 1.00 0.00 O ATOM 0 H GLU A 10 11.744 -24.900 0.896 1.00 0.00 H new ATOM 0 HA GLU A 10 11.836 -22.039 0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.799 -21.855 2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.269 -22.710 2.550 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.855 -24.255 2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.314 -23.616 3.922 1.00 0.00 H new ATOM 114 N ALA A 11 14.350 -21.719 0.021 1.00 0.00 N ATOM 115 CA ALA A 11 15.726 -21.589 -0.441 1.00 0.00 C ATOM 116 C ALA A 11 16.343 -20.277 0.033 1.00 0.00 C ATOM 117 O ALA A 11 15.638 -19.289 0.242 1.00 0.00 O ATOM 118 CB ALA A 11 15.785 -21.684 -1.958 1.00 0.00 C ATOM 0 H ALA A 11 13.872 -20.832 0.179 1.00 0.00 H new ATOM 0 HA ALA A 11 16.305 -22.408 -0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.819 -21.585 -2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.392 -22.649 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.186 -20.886 -2.396 1.00 0.00 H new ATOM 124 N ARG A 12 17.661 -20.275 0.201 1.00 0.00 N ATOM 125 CA ARG A 12 18.371 -19.084 0.652 1.00 0.00 C ATOM 126 C ARG A 12 18.309 -17.982 -0.401 1.00 0.00 C ATOM 127 O ARG A 12 17.916 -16.851 -0.111 1.00 0.00 O ATOM 128 CB ARG A 12 19.830 -19.423 0.966 1.00 0.00 C ATOM 129 CG ARG A 12 19.996 -20.364 2.148 1.00 0.00 C ATOM 130 CD ARG A 12 19.234 -19.868 3.366 1.00 0.00 C ATOM 131 NE ARG A 12 19.786 -20.397 4.610 1.00 0.00 N ATOM 132 CZ ARG A 12 19.522 -19.887 5.808 1.00 0.00 C ATOM 133 NH1 ARG A 12 18.716 -18.840 5.923 1.00 0.00 N ATOM 134 NH2 ARG A 12 20.062 -20.425 6.894 1.00 0.00 N ATOM 0 H ARG A 12 18.259 -21.084 0.032 1.00 0.00 H new ATOM 0 HA ARG A 12 17.885 -18.723 1.559 1.00 0.00 H new ATOM 0 HB2 ARG A 12 20.287 -19.875 0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 12 20.373 -18.500 1.168 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.641 -21.358 1.876 1.00 0.00 H new ATOM 0 HG3 ARG A 12 21.054 -20.459 2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 12 19.261 -18.779 3.392 1.00 0.00 H new ATOM 0 HD3 ARG A 12 18.187 -20.159 3.282 1.00 0.00 H new ATOM 0 HE ARG A 12 20.409 -21.203 4.556 1.00 0.00 H new ATOM 0 HH11 ARG A 12 18.297 -18.425 5.091 1.00 0.00 H new ATOM 0 HH12 ARG A 12 18.515 -18.450 6.844 1.00 0.00 H new ATOM 0 HH21 ARG A 12 20.681 -21.231 6.810 1.00 0.00 H new ATOM 0 HH22 ARG A 12 19.858 -20.032 7.813 1.00 0.00 H new ATOM 148 N THR A 13 18.700 -18.318 -1.626 1.00 0.00 N ATOM 149 CA THR A 13 18.690 -17.358 -2.722 1.00 0.00 C ATOM 150 C THR A 13 17.322 -17.301 -3.392 1.00 0.00 C ATOM 151 O THR A 13 16.831 -18.304 -3.908 1.00 0.00 O ATOM 152 CB THR A 13 19.753 -17.704 -3.782 1.00 0.00 C ATOM 153 OG1 THR A 13 21.018 -17.931 -3.151 1.00 0.00 O ATOM 154 CG2 THR A 13 19.884 -16.584 -4.803 1.00 0.00 C ATOM 0 H THR A 13 19.028 -19.249 -1.884 1.00 0.00 H new ATOM 0 HA THR A 13 18.921 -16.384 -2.290 1.00 0.00 H new ATOM 0 HB THR A 13 19.437 -18.610 -4.299 1.00 0.00 H new ATOM 0 HG1 THR A 13 21.688 -18.152 -3.831 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.640 -16.851 -5.541 1.00 0.00 H new ATOM 0 HG22 THR A 13 18.927 -16.433 -5.302 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.179 -15.664 -4.298 1.00 0.00 H new ATOM 162 N ALA A 14 16.711 -16.121 -3.380 1.00 0.00 N ATOM 163 CA ALA A 14 15.400 -15.933 -3.988 1.00 0.00 C ATOM 164 C ALA A 14 15.256 -16.772 -5.253 1.00 0.00 C ATOM 165 O ALA A 14 16.221 -16.965 -5.993 1.00 0.00 O ATOM 166 CB ALA A 14 15.168 -14.462 -4.300 1.00 0.00 C ATOM 0 H ALA A 14 17.103 -15.281 -2.956 1.00 0.00 H new ATOM 0 HA ALA A 14 14.646 -16.265 -3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 14 14.185 -14.337 -4.754 1.00 0.00 H new ATOM 0 HB2 ALA A 14 15.219 -13.882 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 14 15.934 -14.112 -4.992 1.00 0.00 H new ATOM 172 N GLN A 15 14.047 -17.269 -5.495 1.00 0.00 N ATOM 173 CA GLN A 15 13.780 -18.089 -6.670 1.00 0.00 C ATOM 174 C GLN A 15 12.949 -17.320 -7.693 1.00 0.00 C ATOM 175 O GLN A 15 13.397 -17.075 -8.813 1.00 0.00 O ATOM 176 CB GLN A 15 13.053 -19.374 -6.268 1.00 0.00 C ATOM 177 CG GLN A 15 12.791 -20.315 -7.432 1.00 0.00 C ATOM 178 CD GLN A 15 12.223 -21.648 -6.988 1.00 0.00 C ATOM 179 OE1 GLN A 15 11.908 -21.842 -5.814 1.00 0.00 O ATOM 180 NE2 GLN A 15 12.087 -22.577 -7.928 1.00 0.00 N ATOM 0 H GLN A 15 13.238 -17.118 -4.893 1.00 0.00 H new ATOM 0 HA GLN A 15 14.736 -18.348 -7.125 1.00 0.00 H new ATOM 0 HB2 GLN A 15 13.645 -19.896 -5.516 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.103 -19.113 -5.802 1.00 0.00 H new ATOM 0 HG2 GLN A 15 12.097 -19.842 -8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.721 -20.483 -7.975 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.361 -22.374 -8.889 1.00 0.00 H new ATOM 0 HE22 GLN A 15 11.709 -23.493 -7.688 1.00 0.00 H new ATOM 189 N SER A 16 11.737 -16.943 -7.300 1.00 0.00 N ATOM 190 CA SER A 16 10.842 -16.205 -8.183 1.00 0.00 C ATOM 191 C SER A 16 10.161 -15.062 -7.436 1.00 0.00 C ATOM 192 O SER A 16 10.144 -15.032 -6.205 1.00 0.00 O ATOM 193 CB SER A 16 9.787 -17.143 -8.774 1.00 0.00 C ATOM 194 OG SER A 16 10.330 -17.925 -9.824 1.00 0.00 O ATOM 0 H SER A 16 11.352 -17.137 -6.375 1.00 0.00 H new ATOM 0 HA SER A 16 11.438 -15.783 -8.992 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.399 -17.797 -7.993 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.946 -16.559 -9.149 1.00 0.00 H new ATOM 0 HG SER A 16 9.637 -18.517 -10.183 1.00 0.00 H new ATOM 200 N THR A 17 9.600 -14.122 -8.191 1.00 0.00 N ATOM 201 CA THR A 17 8.919 -12.976 -7.602 1.00 0.00 C ATOM 202 C THR A 17 7.643 -13.403 -6.886 1.00 0.00 C ATOM 203 O THR A 17 7.007 -14.396 -7.238 1.00 0.00 O ATOM 204 CB THR A 17 8.567 -11.923 -8.670 1.00 0.00 C ATOM 205 OG1 THR A 17 8.222 -12.569 -9.900 1.00 0.00 O ATOM 206 CG2 THR A 17 9.734 -10.974 -8.899 1.00 0.00 C ATOM 0 H THR A 17 9.604 -14.132 -9.211 1.00 0.00 H new ATOM 0 HA THR A 17 9.607 -12.536 -6.880 1.00 0.00 H new ATOM 0 HB THR A 17 7.714 -11.346 -8.312 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.998 -11.893 -10.573 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.462 -10.239 -9.657 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.975 -10.462 -7.967 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.602 -11.540 -9.237 1.00 0.00 H new ATOM 214 N PRO A 18 7.257 -12.636 -5.856 1.00 0.00 N ATOM 215 CA PRO A 18 6.052 -12.915 -5.069 1.00 0.00 C ATOM 216 C PRO A 18 4.772 -12.667 -5.860 1.00 0.00 C ATOM 217 O PRO A 18 4.745 -11.840 -6.772 1.00 0.00 O ATOM 218 CB PRO A 18 6.156 -11.932 -3.899 1.00 0.00 C ATOM 219 CG PRO A 18 6.992 -10.814 -4.418 1.00 0.00 C ATOM 220 CD PRO A 18 7.966 -11.436 -5.380 1.00 0.00 C ATOM 0 HA PRO A 18 5.999 -13.960 -4.763 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.172 -11.580 -3.589 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.616 -12.400 -3.029 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.376 -10.065 -4.916 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.515 -10.308 -3.606 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.208 -10.760 -6.200 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.906 -11.692 -4.891 1.00 0.00 H new ATOM 228 N SER A 19 3.713 -13.388 -5.505 1.00 0.00 N ATOM 229 CA SER A 19 2.431 -13.248 -6.185 1.00 0.00 C ATOM 230 C SER A 19 1.390 -12.624 -5.259 1.00 0.00 C ATOM 231 O SER A 19 0.858 -11.551 -5.540 1.00 0.00 O ATOM 232 CB SER A 19 1.940 -14.610 -6.679 1.00 0.00 C ATOM 233 OG SER A 19 1.127 -14.472 -7.831 1.00 0.00 O ATOM 0 H SER A 19 3.718 -14.075 -4.751 1.00 0.00 H new ATOM 0 HA SER A 19 2.572 -12.589 -7.041 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.794 -15.247 -6.907 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.375 -15.105 -5.889 1.00 0.00 H new ATOM 0 HG SER A 19 0.827 -15.357 -8.128 1.00 0.00 H new ATOM 239 N ALA A 20 1.106 -13.307 -4.155 1.00 0.00 N ATOM 240 CA ALA A 20 0.131 -12.820 -3.186 1.00 0.00 C ATOM 241 C ALA A 20 0.592 -11.511 -2.554 1.00 0.00 C ATOM 242 O ALA A 20 -0.037 -10.464 -2.708 1.00 0.00 O ATOM 243 CB ALA A 20 -0.114 -13.870 -2.112 1.00 0.00 C ATOM 0 H ALA A 20 1.537 -14.198 -3.909 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.804 -12.629 -3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.844 -13.494 -1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.495 -14.781 -2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.821 -14.089 -1.597 1.00 0.00 H new ATOM 249 N PRO A 21 1.716 -11.569 -1.824 1.00 0.00 N ATOM 250 CA PRO A 21 2.285 -10.397 -1.153 1.00 0.00 C ATOM 251 C PRO A 21 2.862 -9.387 -2.140 1.00 0.00 C ATOM 252 O PRO A 21 3.302 -9.736 -3.236 1.00 0.00 O ATOM 253 CB PRO A 21 3.397 -10.990 -0.285 1.00 0.00 C ATOM 254 CG PRO A 21 3.778 -12.257 -0.970 1.00 0.00 C ATOM 255 CD PRO A 21 2.517 -12.783 -1.598 1.00 0.00 C ATOM 0 HA PRO A 21 1.533 -9.846 -0.589 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.246 -10.310 -0.210 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.049 -11.178 0.730 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.544 -12.078 -1.724 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.190 -12.975 -0.261 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.722 -13.309 -2.531 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.004 -13.486 -0.942 1.00 0.00 H new ATOM 263 N PRO A 22 2.861 -8.105 -1.746 1.00 0.00 N ATOM 264 CA PRO A 22 2.339 -7.678 -0.444 1.00 0.00 C ATOM 265 C PRO A 22 0.822 -7.809 -0.357 1.00 0.00 C ATOM 266 O PRO A 22 0.114 -7.590 -1.339 1.00 0.00 O ATOM 267 CB PRO A 22 2.755 -6.208 -0.360 1.00 0.00 C ATOM 268 CG PRO A 22 2.888 -5.770 -1.778 1.00 0.00 C ATOM 269 CD PRO A 22 3.369 -6.974 -2.540 1.00 0.00 C ATOM 0 HA PRO A 22 2.724 -8.291 0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.009 -5.615 0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.695 -6.093 0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.934 -5.417 -2.168 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.594 -4.944 -1.867 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.977 -6.989 -3.557 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.456 -6.993 -2.617 1.00 0.00 H new ATOM 277 N GLN A 23 0.331 -8.165 0.826 1.00 0.00 N ATOM 278 CA GLN A 23 -1.103 -8.324 1.040 1.00 0.00 C ATOM 279 C GLN A 23 -1.543 -7.621 2.319 1.00 0.00 C ATOM 280 O GLN A 23 -0.714 -7.162 3.105 1.00 0.00 O ATOM 281 CB GLN A 23 -1.468 -9.808 1.108 1.00 0.00 C ATOM 282 CG GLN A 23 -0.369 -10.679 1.694 1.00 0.00 C ATOM 283 CD GLN A 23 -0.757 -12.143 1.763 1.00 0.00 C ATOM 284 OE1 GLN A 23 -1.898 -12.508 1.477 1.00 0.00 O ATOM 285 NE2 GLN A 23 0.191 -12.991 2.142 1.00 0.00 N ATOM 0 H GLN A 23 0.904 -8.349 1.650 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.624 -7.867 0.198 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.371 -9.924 1.708 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.704 -10.162 0.104 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.533 -10.574 1.090 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.125 -10.324 2.695 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.123 -12.645 2.370 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.013 -13.988 2.205 1.00 0.00 H new ATOM 294 N LYS A 24 -2.854 -7.538 2.522 1.00 0.00 N ATOM 295 CA LYS A 24 -3.406 -6.891 3.706 1.00 0.00 C ATOM 296 C LYS A 24 -2.906 -5.455 3.825 1.00 0.00 C ATOM 297 O LYS A 24 -2.682 -4.954 4.927 1.00 0.00 O ATOM 298 CB LYS A 24 -3.032 -7.679 4.964 1.00 0.00 C ATOM 299 CG LYS A 24 -3.135 -9.184 4.792 1.00 0.00 C ATOM 300 CD LYS A 24 -2.839 -9.915 6.091 1.00 0.00 C ATOM 301 CE LYS A 24 -2.542 -11.387 5.847 1.00 0.00 C ATOM 302 NZ LYS A 24 -1.749 -11.984 6.957 1.00 0.00 N ATOM 0 H LYS A 24 -3.554 -7.911 1.881 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.491 -6.872 3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.012 -7.424 5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.682 -7.370 5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.136 -9.444 4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.437 -9.512 4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.988 -9.448 6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.691 -9.821 6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.479 -11.933 5.735 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.996 -11.497 4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.931 -12.492 6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.417 -11.230 7.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.345 -12.648 7.491 1.00 0.00 H new ATOM 316 N VAL A 25 -2.734 -4.797 2.683 1.00 0.00 N ATOM 317 CA VAL A 25 -2.262 -3.418 2.659 1.00 0.00 C ATOM 318 C VAL A 25 -3.289 -2.476 3.279 1.00 0.00 C ATOM 319 O VAL A 25 -4.329 -2.197 2.684 1.00 0.00 O ATOM 320 CB VAL A 25 -1.958 -2.953 1.223 1.00 0.00 C ATOM 321 CG1 VAL A 25 -1.552 -1.487 1.210 1.00 0.00 C ATOM 322 CG2 VAL A 25 -0.873 -3.820 0.602 1.00 0.00 C ATOM 0 H VAL A 25 -2.915 -5.197 1.762 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.343 -3.388 3.245 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.864 -3.059 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.341 -1.177 0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.364 -0.881 1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.660 -1.351 1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.670 -3.478 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.037 -3.747 1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.207 -4.857 0.575 1.00 0.00 H new ATOM 332 N MET A 26 -2.988 -1.989 4.479 1.00 0.00 N ATOM 333 CA MET A 26 -3.884 -1.076 5.179 1.00 0.00 C ATOM 334 C MET A 26 -3.283 0.324 5.256 1.00 0.00 C ATOM 335 O MET A 26 -2.264 0.537 5.915 1.00 0.00 O ATOM 336 CB MET A 26 -4.177 -1.596 6.588 1.00 0.00 C ATOM 337 CG MET A 26 -5.208 -2.713 6.621 1.00 0.00 C ATOM 338 SD MET A 26 -6.902 -2.094 6.649 1.00 0.00 S ATOM 339 CE MET A 26 -7.725 -3.317 5.632 1.00 0.00 C ATOM 0 H MET A 26 -2.131 -2.211 4.986 1.00 0.00 H new ATOM 0 HA MET A 26 -4.817 -1.021 4.618 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.250 -1.955 7.034 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.529 -0.770 7.206 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.073 -3.352 5.749 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.037 -3.334 7.501 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.784 -3.072 5.554 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.279 -3.323 4.637 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.613 -4.302 6.085 1.00 0.00 H new ATOM 349 N CYS A 27 -3.918 1.274 4.579 1.00 0.00 N ATOM 350 CA CYS A 27 -3.445 2.654 4.571 1.00 0.00 C ATOM 351 C CYS A 27 -4.326 3.536 5.449 1.00 0.00 C ATOM 352 O CYS A 27 -5.534 3.320 5.551 1.00 0.00 O ATOM 353 CB CYS A 27 -3.421 3.197 3.141 1.00 0.00 C ATOM 354 SG CYS A 27 -2.483 2.178 1.979 1.00 0.00 S ATOM 0 H CYS A 27 -4.762 1.114 4.028 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.433 2.668 4.975 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.446 3.289 2.782 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.996 4.201 3.152 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.869 2.437 0.765 1.00 0.00 H new ATOM 360 N VAL A 28 -3.713 4.531 6.083 1.00 0.00 N ATOM 361 CA VAL A 28 -4.441 5.446 6.953 1.00 0.00 C ATOM 362 C VAL A 28 -3.829 6.842 6.917 1.00 0.00 C ATOM 363 O VAL A 28 -2.608 6.996 6.888 1.00 0.00 O ATOM 364 CB VAL A 28 -4.458 4.943 8.409 1.00 0.00 C ATOM 365 CG1 VAL A 28 -5.408 3.764 8.555 1.00 0.00 C ATOM 366 CG2 VAL A 28 -3.054 4.566 8.858 1.00 0.00 C ATOM 0 H VAL A 28 -2.714 4.723 6.010 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.464 5.491 6.580 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.816 5.749 9.050 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.407 3.422 9.590 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.416 4.072 8.275 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.083 2.952 7.904 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.084 4.213 9.889 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.666 3.776 8.215 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.404 5.439 8.792 1.00 0.00 H new ATOM 376 N SER A 29 -4.687 7.858 6.920 1.00 0.00 N ATOM 377 CA SER A 29 -4.231 9.243 6.884 1.00 0.00 C ATOM 378 C SER A 29 -3.680 9.669 8.241 1.00 0.00 C ATOM 379 O SER A 29 -4.437 9.934 9.175 1.00 0.00 O ATOM 380 CB SER A 29 -5.377 10.169 6.473 1.00 0.00 C ATOM 381 OG SER A 29 -6.388 10.201 7.466 1.00 0.00 O ATOM 0 H SER A 29 -5.701 7.748 6.947 1.00 0.00 H new ATOM 0 HA SER A 29 -3.431 9.317 6.147 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.994 11.176 6.307 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.802 9.830 5.528 1.00 0.00 H new ATOM 0 HG SER A 29 -5.978 10.338 8.346 1.00 0.00 H new ATOM 387 N MET A 30 -2.356 9.732 8.342 1.00 0.00 N ATOM 388 CA MET A 30 -1.703 10.127 9.585 1.00 0.00 C ATOM 389 C MET A 30 -2.217 11.481 10.063 1.00 0.00 C ATOM 390 O MET A 30 -2.399 11.700 11.260 1.00 0.00 O ATOM 391 CB MET A 30 -0.186 10.182 9.393 1.00 0.00 C ATOM 392 CG MET A 30 0.511 8.863 9.682 1.00 0.00 C ATOM 393 SD MET A 30 0.843 8.622 11.438 1.00 0.00 S ATOM 394 CE MET A 30 -0.291 7.287 11.817 1.00 0.00 C ATOM 0 H MET A 30 -1.715 9.515 7.579 1.00 0.00 H new ATOM 0 HA MET A 30 -1.939 9.381 10.344 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.032 10.482 8.368 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.227 10.952 10.045 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.107 8.043 9.317 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.450 8.824 9.130 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.611 7.365 12.856 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.161 7.352 11.164 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.208 6.331 11.662 1.00 0.00 H new ATOM 404 N GLY A 31 -2.448 12.388 9.118 1.00 0.00 N ATOM 405 CA GLY A 31 -2.937 13.710 9.464 1.00 0.00 C ATOM 406 C GLY A 31 -3.783 14.321 8.363 1.00 0.00 C ATOM 407 O GLY A 31 -4.870 13.829 8.061 1.00 0.00 O ATOM 0 H GLY A 31 -2.305 12.231 8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.526 13.648 10.379 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.091 14.364 9.673 1.00 0.00 H new ATOM 411 N SER A 32 -3.284 15.397 7.764 1.00 0.00 N ATOM 412 CA SER A 32 -4.003 16.079 6.695 1.00 0.00 C ATOM 413 C SER A 32 -3.188 16.079 5.405 1.00 0.00 C ATOM 414 O SER A 32 -3.738 15.968 4.309 1.00 0.00 O ATOM 415 CB SER A 32 -4.327 17.517 7.106 1.00 0.00 C ATOM 416 OG SER A 32 -3.348 18.026 7.995 1.00 0.00 O ATOM 0 H SER A 32 -2.384 15.815 8.001 1.00 0.00 H new ATOM 0 HA SER A 32 -4.934 15.541 6.516 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.381 18.149 6.219 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.307 17.551 7.582 1.00 0.00 H new ATOM 0 HG SER A 32 -3.577 18.947 8.241 1.00 0.00 H new ATOM 422 N THR A 33 -1.872 16.203 5.544 1.00 0.00 N ATOM 423 CA THR A 33 -0.979 16.218 4.392 1.00 0.00 C ATOM 424 C THR A 33 0.003 15.054 4.442 1.00 0.00 C ATOM 425 O THR A 33 0.947 14.989 3.653 1.00 0.00 O ATOM 426 CB THR A 33 -0.190 17.538 4.310 1.00 0.00 C ATOM 427 OG1 THR A 33 0.606 17.707 5.488 1.00 0.00 O ATOM 428 CG2 THR A 33 -1.131 18.723 4.154 1.00 0.00 C ATOM 0 H THR A 33 -1.401 16.295 6.444 1.00 0.00 H new ATOM 0 HA THR A 33 -1.606 16.122 3.505 1.00 0.00 H new ATOM 0 HB THR A 33 0.460 17.493 3.436 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.106 18.548 5.427 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.550 19.644 4.098 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.715 18.606 3.241 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.803 18.769 5.011 1.00 0.00 H new ATOM 436 N THR A 34 -0.224 14.134 5.375 1.00 0.00 N ATOM 437 CA THR A 34 0.642 12.971 5.528 1.00 0.00 C ATOM 438 C THR A 34 -0.173 11.686 5.614 1.00 0.00 C ATOM 439 O THR A 34 -1.227 11.649 6.249 1.00 0.00 O ATOM 440 CB THR A 34 1.526 13.091 6.784 1.00 0.00 C ATOM 441 OG1 THR A 34 2.400 14.219 6.663 1.00 0.00 O ATOM 442 CG2 THR A 34 2.347 11.827 6.991 1.00 0.00 C ATOM 0 H THR A 34 -1.000 14.172 6.036 1.00 0.00 H new ATOM 0 HA THR A 34 1.281 12.934 4.645 1.00 0.00 H new ATOM 0 HB THR A 34 0.875 13.228 7.647 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.957 14.289 7.466 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.963 11.935 7.884 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.678 10.975 7.113 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.989 11.664 6.125 1.00 0.00 H new ATOM 450 N VAL A 35 0.322 10.633 4.973 1.00 0.00 N ATOM 451 CA VAL A 35 -0.360 9.344 4.979 1.00 0.00 C ATOM 452 C VAL A 35 0.578 8.228 5.425 1.00 0.00 C ATOM 453 O VAL A 35 1.789 8.301 5.218 1.00 0.00 O ATOM 454 CB VAL A 35 -0.923 9.001 3.587 1.00 0.00 C ATOM 455 CG1 VAL A 35 -1.582 7.630 3.600 1.00 0.00 C ATOM 456 CG2 VAL A 35 -1.906 10.069 3.131 1.00 0.00 C ATOM 0 H VAL A 35 1.193 10.647 4.443 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.185 9.425 5.687 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.096 8.974 2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.974 7.405 2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.847 6.875 3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.399 7.626 4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.293 9.810 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.731 10.131 3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.399 11.032 3.080 1.00 0.00 H new ATOM 466 N ARG A 36 0.009 7.195 6.039 1.00 0.00 N ATOM 467 CA ARG A 36 0.795 6.063 6.515 1.00 0.00 C ATOM 468 C ARG A 36 0.221 4.747 5.999 1.00 0.00 C ATOM 469 O ARG A 36 -0.915 4.388 6.311 1.00 0.00 O ATOM 470 CB ARG A 36 0.833 6.050 8.045 1.00 0.00 C ATOM 471 CG ARG A 36 1.629 4.892 8.624 1.00 0.00 C ATOM 472 CD ARG A 36 0.749 3.675 8.864 1.00 0.00 C ATOM 473 NE ARG A 36 -0.233 3.910 9.919 1.00 0.00 N ATOM 474 CZ ARG A 36 -0.939 2.943 10.495 1.00 0.00 C ATOM 475 NH1 ARG A 36 -0.771 1.683 10.120 1.00 0.00 N ATOM 476 NH2 ARG A 36 -1.813 3.236 11.449 1.00 0.00 N ATOM 0 H ARG A 36 -0.992 7.119 6.218 1.00 0.00 H new ATOM 0 HA ARG A 36 1.810 6.171 6.133 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.263 6.988 8.397 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.188 6.004 8.425 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.438 4.629 7.943 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.090 5.199 9.563 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.233 3.413 7.940 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.374 2.823 9.133 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.385 4.869 10.231 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.099 1.454 9.388 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.314 0.942 10.564 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.944 4.205 11.741 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.354 2.493 11.890 1.00 0.00 H new ATOM 490 N VAL A 37 1.013 4.032 5.206 1.00 0.00 N ATOM 491 CA VAL A 37 0.585 2.756 4.646 1.00 0.00 C ATOM 492 C VAL A 37 1.452 1.612 5.159 1.00 0.00 C ATOM 493 O VAL A 37 2.680 1.684 5.119 1.00 0.00 O ATOM 494 CB VAL A 37 0.635 2.773 3.107 1.00 0.00 C ATOM 495 CG1 VAL A 37 1.891 3.480 2.621 1.00 0.00 C ATOM 496 CG2 VAL A 37 0.563 1.357 2.556 1.00 0.00 C ATOM 0 H VAL A 37 1.955 4.315 4.937 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.445 2.600 4.967 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.229 3.326 2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.909 3.482 1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.895 4.507 2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.771 2.958 2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.600 1.388 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.406 0.777 2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.369 0.890 2.875 1.00 0.00 H new ATOM 506 N SER A 38 0.805 0.556 5.642 1.00 0.00 N ATOM 507 CA SER A 38 1.517 -0.603 6.166 1.00 0.00 C ATOM 508 C SER A 38 1.019 -1.888 5.512 1.00 0.00 C ATOM 509 O SER A 38 -0.167 -2.026 5.213 1.00 0.00 O ATOM 510 CB SER A 38 1.344 -0.690 7.684 1.00 0.00 C ATOM 511 OG SER A 38 1.695 0.533 8.308 1.00 0.00 O ATOM 0 H SER A 38 -0.211 0.480 5.681 1.00 0.00 H new ATOM 0 HA SER A 38 2.575 -0.484 5.934 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.310 -0.940 7.922 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.965 -1.494 8.078 1.00 0.00 H new ATOM 0 HG SER A 38 1.729 0.407 9.279 1.00 0.00 H new ATOM 517 N TRP A 39 1.934 -2.826 5.293 1.00 0.00 N ATOM 518 CA TRP A 39 1.589 -4.100 4.674 1.00 0.00 C ATOM 519 C TRP A 39 2.165 -5.266 5.470 1.00 0.00 C ATOM 520 O TRP A 39 3.090 -5.091 6.264 1.00 0.00 O ATOM 521 CB TRP A 39 2.103 -4.147 3.234 1.00 0.00 C ATOM 522 CG TRP A 39 3.514 -3.663 3.091 1.00 0.00 C ATOM 523 CD1 TRP A 39 4.635 -4.432 2.964 1.00 0.00 C ATOM 524 CD2 TRP A 39 3.954 -2.301 3.062 1.00 0.00 C ATOM 525 NE1 TRP A 39 5.746 -3.631 2.858 1.00 0.00 N ATOM 526 CE2 TRP A 39 5.355 -2.319 2.915 1.00 0.00 C ATOM 527 CE3 TRP A 39 3.302 -1.068 3.145 1.00 0.00 C ATOM 528 CZ2 TRP A 39 6.112 -1.152 2.849 1.00 0.00 C ATOM 529 CZ3 TRP A 39 4.054 0.089 3.080 1.00 0.00 C ATOM 530 CH2 TRP A 39 5.447 0.041 2.933 1.00 0.00 C ATOM 0 H TRP A 39 2.920 -2.728 5.535 1.00 0.00 H new ATOM 0 HA TRP A 39 0.503 -4.190 4.668 1.00 0.00 H new ATOM 0 HB2 TRP A 39 2.039 -5.171 2.866 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.453 -3.540 2.604 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.647 -5.512 2.949 1.00 0.00 H new ATOM 0 HE1 TRP A 39 6.706 -3.960 2.754 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.229 -1.020 3.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.185 -1.187 2.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.560 1.047 3.144 1.00 0.00 H new ATOM 0 HH2 TRP A 39 6.006 0.964 2.885 1.00 0.00 H new ATOM 541 N VAL A 40 1.614 -6.456 5.253 1.00 0.00 N ATOM 542 CA VAL A 40 2.074 -7.650 5.950 1.00 0.00 C ATOM 543 C VAL A 40 3.241 -8.300 5.214 1.00 0.00 C ATOM 544 O VAL A 40 3.242 -8.426 3.990 1.00 0.00 O ATOM 545 CB VAL A 40 0.941 -8.682 6.105 1.00 0.00 C ATOM 546 CG1 VAL A 40 0.457 -9.153 4.742 1.00 0.00 C ATOM 547 CG2 VAL A 40 1.404 -9.858 6.951 1.00 0.00 C ATOM 0 H VAL A 40 0.848 -6.618 4.599 1.00 0.00 H new ATOM 0 HA VAL A 40 2.403 -7.332 6.939 1.00 0.00 H new ATOM 0 HB VAL A 40 0.105 -8.204 6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.343 -9.882 4.872 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.083 -8.301 4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.284 -9.615 4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.591 -10.577 7.050 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.257 -10.338 6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.697 -9.503 7.939 1.00 0.00 H new ATOM 557 N PRO A 41 4.259 -8.725 5.978 1.00 0.00 N ATOM 558 CA PRO A 41 5.451 -9.370 5.420 1.00 0.00 C ATOM 559 C PRO A 41 5.154 -10.762 4.871 1.00 0.00 C ATOM 560 O PRO A 41 4.236 -11.449 5.319 1.00 0.00 O ATOM 561 CB PRO A 41 6.399 -9.459 6.618 1.00 0.00 C ATOM 562 CG PRO A 41 5.505 -9.464 7.809 1.00 0.00 C ATOM 563 CD PRO A 41 4.324 -8.608 7.444 1.00 0.00 C ATOM 0 HA PRO A 41 5.859 -8.813 4.576 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.007 -10.363 6.576 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.086 -8.613 6.643 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.190 -10.478 8.057 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.019 -9.067 8.684 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.408 -8.964 7.917 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.464 -7.574 7.759 1.00 0.00 H new ATOM 571 N PRO A 42 5.947 -11.189 3.878 1.00 0.00 N ATOM 572 CA PRO A 42 5.788 -12.502 3.247 1.00 0.00 C ATOM 573 C PRO A 42 6.177 -13.644 4.180 1.00 0.00 C ATOM 574 O PRO A 42 7.013 -13.492 5.071 1.00 0.00 O ATOM 575 CB PRO A 42 6.743 -12.440 2.052 1.00 0.00 C ATOM 576 CG PRO A 42 7.772 -11.436 2.441 1.00 0.00 C ATOM 577 CD PRO A 42 7.060 -10.422 3.293 1.00 0.00 C ATOM 0 HA PRO A 42 4.752 -12.699 2.972 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.194 -13.413 1.855 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.221 -12.140 1.143 1.00 0.00 H new ATOM 0 HG2 PRO A 42 8.587 -11.906 2.992 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.212 -10.967 1.561 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.715 -10.013 4.063 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.701 -9.581 2.701 1.00 0.00 H new ATOM 585 N PRO A 43 5.559 -14.816 3.973 1.00 0.00 N ATOM 586 CA PRO A 43 5.825 -16.007 4.785 1.00 0.00 C ATOM 587 C PRO A 43 7.214 -16.583 4.531 1.00 0.00 C ATOM 588 O PRO A 43 7.849 -16.274 3.523 1.00 0.00 O ATOM 589 CB PRO A 43 4.746 -16.993 4.333 1.00 0.00 C ATOM 590 CG PRO A 43 4.396 -16.564 2.950 1.00 0.00 C ATOM 591 CD PRO A 43 4.552 -15.069 2.929 1.00 0.00 C ATOM 0 HA PRO A 43 5.800 -15.787 5.852 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.115 -18.018 4.348 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.877 -16.958 4.990 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.051 -17.035 2.218 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.376 -16.854 2.698 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.886 -14.714 1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.611 -14.564 3.147 1.00 0.00 H new ATOM 599 N ALA A 44 7.679 -17.422 5.451 1.00 0.00 N ATOM 600 CA ALA A 44 8.992 -18.043 5.324 1.00 0.00 C ATOM 601 C ALA A 44 8.890 -19.409 4.655 1.00 0.00 C ATOM 602 O ALA A 44 9.646 -19.718 3.734 1.00 0.00 O ATOM 603 CB ALA A 44 9.650 -18.169 6.690 1.00 0.00 C ATOM 0 H ALA A 44 7.166 -17.687 6.292 1.00 0.00 H new ATOM 0 HA ALA A 44 9.610 -17.404 4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.630 -18.634 6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.766 -17.179 7.131 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.027 -18.784 7.339 1.00 0.00 H new ATOM 609 N ASP A 45 7.953 -20.225 5.125 1.00 0.00 N ATOM 610 CA ASP A 45 7.752 -21.559 4.572 1.00 0.00 C ATOM 611 C ASP A 45 7.797 -21.527 3.047 1.00 0.00 C ATOM 612 O ASP A 45 8.573 -22.253 2.424 1.00 0.00 O ATOM 613 CB ASP A 45 6.415 -22.134 5.043 1.00 0.00 C ATOM 614 CG ASP A 45 6.283 -23.613 4.740 1.00 0.00 C ATOM 615 OD1 ASP A 45 7.071 -24.405 5.297 1.00 0.00 O ATOM 616 OD2 ASP A 45 5.391 -23.980 3.946 1.00 0.00 O ATOM 0 H ASP A 45 7.320 -19.986 5.888 1.00 0.00 H new ATOM 0 HA ASP A 45 8.559 -22.199 4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.312 -21.975 6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.600 -21.593 4.562 1.00 0.00 H new ATOM 621 N SER A 46 6.961 -20.683 2.453 1.00 0.00 N ATOM 622 CA SER A 46 6.902 -20.561 1.001 1.00 0.00 C ATOM 623 C SER A 46 7.291 -19.154 0.558 1.00 0.00 C ATOM 624 O SER A 46 6.518 -18.464 -0.108 1.00 0.00 O ATOM 625 CB SER A 46 5.497 -20.896 0.496 1.00 0.00 C ATOM 626 OG SER A 46 4.512 -20.164 1.205 1.00 0.00 O ATOM 0 H SER A 46 6.315 -20.073 2.954 1.00 0.00 H new ATOM 0 HA SER A 46 7.613 -21.268 0.573 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.426 -20.671 -0.568 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.312 -21.964 0.608 1.00 0.00 H new ATOM 0 HG SER A 46 4.637 -19.206 1.043 1.00 0.00 H new ATOM 632 N ARG A 47 8.495 -18.734 0.933 1.00 0.00 N ATOM 633 CA ARG A 47 8.988 -17.409 0.576 1.00 0.00 C ATOM 634 C ARG A 47 9.394 -17.357 -0.894 1.00 0.00 C ATOM 635 O ARG A 47 10.477 -17.809 -1.265 1.00 0.00 O ATOM 636 CB ARG A 47 10.178 -17.029 1.459 1.00 0.00 C ATOM 637 CG ARG A 47 10.607 -15.579 1.311 1.00 0.00 C ATOM 638 CD ARG A 47 9.603 -14.632 1.950 1.00 0.00 C ATOM 639 NE ARG A 47 9.885 -14.410 3.366 1.00 0.00 N ATOM 640 CZ ARG A 47 10.934 -13.726 3.808 1.00 0.00 C ATOM 641 NH1 ARG A 47 11.797 -13.201 2.949 1.00 0.00 N ATOM 642 NH2 ARG A 47 11.122 -13.567 5.112 1.00 0.00 N ATOM 0 H ARG A 47 9.147 -19.292 1.484 1.00 0.00 H new ATOM 0 HA ARG A 47 8.182 -16.694 0.737 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.921 -17.219 2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.021 -17.675 1.216 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.585 -15.439 1.772 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.715 -15.337 0.254 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.619 -13.678 1.423 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.598 -15.040 1.840 1.00 0.00 H new ATOM 0 HE ARG A 47 9.241 -14.802 4.053 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.656 -13.322 1.946 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.602 -12.676 3.291 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.461 -13.970 5.776 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.928 -13.042 5.451 1.00 0.00 H new ATOM 656 N ASN A 48 8.518 -16.804 -1.726 1.00 0.00 N ATOM 657 CA ASN A 48 8.785 -16.695 -3.155 1.00 0.00 C ATOM 658 C ASN A 48 10.111 -15.984 -3.408 1.00 0.00 C ATOM 659 O ASN A 48 10.876 -16.371 -4.291 1.00 0.00 O ATOM 660 CB ASN A 48 7.649 -15.942 -3.851 1.00 0.00 C ATOM 661 CG ASN A 48 6.323 -16.668 -3.744 1.00 0.00 C ATOM 662 OD1 ASN A 48 6.157 -17.764 -4.282 1.00 0.00 O ATOM 663 ND2 ASN A 48 5.370 -16.060 -3.048 1.00 0.00 N ATOM 0 H ASN A 48 7.617 -16.424 -1.435 1.00 0.00 H new ATOM 0 HA ASN A 48 8.849 -17.703 -3.565 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.553 -14.949 -3.412 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.900 -15.803 -4.903 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.456 -16.500 -2.942 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.552 -15.152 -2.619 1.00 0.00 H new ATOM 670 N GLY A 49 10.377 -14.943 -2.625 1.00 0.00 N ATOM 671 CA GLY A 49 11.611 -14.195 -2.779 1.00 0.00 C ATOM 672 C GLY A 49 11.893 -13.291 -1.596 1.00 0.00 C ATOM 673 O GLY A 49 10.971 -12.755 -0.981 1.00 0.00 O ATOM 0 H GLY A 49 9.760 -14.604 -1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.440 -14.891 -2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.557 -13.594 -3.687 1.00 0.00 H new ATOM 677 N VAL A 50 13.172 -13.123 -1.273 1.00 0.00 N ATOM 678 CA VAL A 50 13.573 -12.278 -0.154 1.00 0.00 C ATOM 679 C VAL A 50 13.458 -10.801 -0.512 1.00 0.00 C ATOM 680 O VAL A 50 14.291 -10.263 -1.242 1.00 0.00 O ATOM 681 CB VAL A 50 15.018 -12.578 0.286 1.00 0.00 C ATOM 682 CG1 VAL A 50 15.977 -12.411 -0.883 1.00 0.00 C ATOM 683 CG2 VAL A 50 15.418 -11.681 1.447 1.00 0.00 C ATOM 0 H VAL A 50 13.948 -13.561 -1.770 1.00 0.00 H new ATOM 0 HA VAL A 50 12.896 -12.502 0.671 1.00 0.00 H new ATOM 0 HB VAL A 50 15.070 -13.613 0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.993 -12.627 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.700 -13.099 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.925 -11.387 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 50 16.442 -11.907 1.745 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.351 -10.637 1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 50 14.748 -11.855 2.289 1.00 0.00 H new ATOM 693 N ILE A 51 12.422 -10.151 0.007 1.00 0.00 N ATOM 694 CA ILE A 51 12.200 -8.734 -0.258 1.00 0.00 C ATOM 695 C ILE A 51 13.466 -7.923 -0.007 1.00 0.00 C ATOM 696 O ILE A 51 13.937 -7.818 1.126 1.00 0.00 O ATOM 697 CB ILE A 51 11.062 -8.171 0.614 1.00 0.00 C ATOM 698 CG1 ILE A 51 9.907 -9.171 0.692 1.00 0.00 C ATOM 699 CG2 ILE A 51 10.580 -6.839 0.060 1.00 0.00 C ATOM 700 CD1 ILE A 51 9.534 -9.769 -0.646 1.00 0.00 C ATOM 0 H ILE A 51 11.724 -10.582 0.613 1.00 0.00 H new ATOM 0 HA ILE A 51 11.919 -8.649 -1.308 1.00 0.00 H new ATOM 0 HB ILE A 51 11.444 -8.007 1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.178 -9.974 1.377 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.034 -8.673 1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.776 -6.454 0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.406 -6.128 0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.212 -6.979 -0.956 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.708 -10.468 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.231 -8.974 -1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.393 -10.296 -1.061 1.00 0.00 H new ATOM 712 N THR A 52 14.014 -7.348 -1.073 1.00 0.00 N ATOM 713 CA THR A 52 15.226 -6.545 -0.970 1.00 0.00 C ATOM 714 C THR A 52 14.894 -5.076 -0.732 1.00 0.00 C ATOM 715 O THR A 52 15.635 -4.365 -0.054 1.00 0.00 O ATOM 716 CB THR A 52 16.090 -6.665 -2.240 1.00 0.00 C ATOM 717 OG1 THR A 52 17.253 -5.838 -2.121 1.00 0.00 O ATOM 718 CG2 THR A 52 15.297 -6.260 -3.473 1.00 0.00 C ATOM 0 H THR A 52 13.637 -7.424 -2.018 1.00 0.00 H new ATOM 0 HA THR A 52 15.788 -6.930 -0.119 1.00 0.00 H new ATOM 0 HB THR A 52 16.395 -7.706 -2.349 1.00 0.00 H new ATOM 0 HG1 THR A 52 17.798 -5.921 -2.931 1.00 0.00 H new ATOM 0 HG21 THR A 52 15.927 -6.353 -4.358 1.00 0.00 H new ATOM 0 HG22 THR A 52 14.428 -6.910 -3.577 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.966 -5.226 -3.370 1.00 0.00 H new ATOM 726 N GLN A 53 13.776 -4.629 -1.294 1.00 0.00 N ATOM 727 CA GLN A 53 13.346 -3.244 -1.143 1.00 0.00 C ATOM 728 C GLN A 53 11.852 -3.104 -1.415 1.00 0.00 C ATOM 729 O GLN A 53 11.256 -3.934 -2.102 1.00 0.00 O ATOM 730 CB GLN A 53 14.136 -2.336 -2.088 1.00 0.00 C ATOM 731 CG GLN A 53 13.817 -2.563 -3.557 1.00 0.00 C ATOM 732 CD GLN A 53 12.682 -1.688 -4.050 1.00 0.00 C ATOM 733 OE1 GLN A 53 11.557 -2.154 -4.231 1.00 0.00 O ATOM 734 NE2 GLN A 53 12.972 -0.410 -4.270 1.00 0.00 N ATOM 0 H GLN A 53 13.152 -5.206 -1.858 1.00 0.00 H new ATOM 0 HA GLN A 53 13.539 -2.941 -0.114 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.929 -1.296 -1.836 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.202 -2.497 -1.927 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.708 -2.366 -4.153 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.556 -3.610 -3.711 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.918 -0.066 -4.107 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.248 0.227 -4.602 1.00 0.00 H new ATOM 743 N TYR A 54 11.253 -2.050 -0.872 1.00 0.00 N ATOM 744 CA TYR A 54 9.827 -1.803 -1.054 1.00 0.00 C ATOM 745 C TYR A 54 9.593 -0.511 -1.831 1.00 0.00 C ATOM 746 O TYR A 54 10.304 0.476 -1.645 1.00 0.00 O ATOM 747 CB TYR A 54 9.124 -1.731 0.302 1.00 0.00 C ATOM 748 CG TYR A 54 8.798 -3.086 0.888 1.00 0.00 C ATOM 749 CD1 TYR A 54 7.724 -3.829 0.415 1.00 0.00 C ATOM 750 CD2 TYR A 54 9.563 -3.622 1.916 1.00 0.00 C ATOM 751 CE1 TYR A 54 7.422 -5.068 0.948 1.00 0.00 C ATOM 752 CE2 TYR A 54 9.270 -4.860 2.454 1.00 0.00 C ATOM 753 CZ TYR A 54 8.198 -5.579 1.967 1.00 0.00 C ATOM 754 OH TYR A 54 7.902 -6.812 2.501 1.00 0.00 O ATOM 0 H TYR A 54 11.732 -1.353 -0.302 1.00 0.00 H new ATOM 0 HA TYR A 54 9.411 -2.631 -1.628 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.757 -1.185 1.001 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.202 -1.160 0.194 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.114 -3.432 -0.383 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.402 -3.061 2.301 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.583 -5.633 0.569 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.877 -5.263 3.251 1.00 0.00 H new ATOM 0 HH TYR A 54 8.546 -7.025 3.209 1.00 0.00 H new ATOM 764 N SER A 55 8.589 -0.526 -2.702 1.00 0.00 N ATOM 765 CA SER A 55 8.261 0.642 -3.511 1.00 0.00 C ATOM 766 C SER A 55 6.848 1.132 -3.210 1.00 0.00 C ATOM 767 O SER A 55 5.902 0.346 -3.168 1.00 0.00 O ATOM 768 CB SER A 55 8.392 0.312 -4.999 1.00 0.00 C ATOM 769 OG SER A 55 9.647 -0.284 -5.281 1.00 0.00 O ATOM 0 H SER A 55 7.989 -1.334 -2.865 1.00 0.00 H new ATOM 0 HA SER A 55 8.964 1.436 -3.259 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.590 -0.363 -5.297 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.278 1.222 -5.588 1.00 0.00 H new ATOM 0 HG SER A 55 9.813 -1.013 -4.647 1.00 0.00 H new ATOM 775 N VAL A 56 6.713 2.438 -3.000 1.00 0.00 N ATOM 776 CA VAL A 56 5.417 3.034 -2.703 1.00 0.00 C ATOM 777 C VAL A 56 5.108 4.182 -3.659 1.00 0.00 C ATOM 778 O VAL A 56 6.011 4.881 -4.118 1.00 0.00 O ATOM 779 CB VAL A 56 5.357 3.556 -1.256 1.00 0.00 C ATOM 780 CG1 VAL A 56 3.929 3.919 -0.877 1.00 0.00 C ATOM 781 CG2 VAL A 56 5.927 2.525 -0.294 1.00 0.00 C ATOM 0 H VAL A 56 7.486 3.103 -3.030 1.00 0.00 H new ATOM 0 HA VAL A 56 4.672 2.249 -2.829 1.00 0.00 H new ATOM 0 HB VAL A 56 5.965 4.458 -1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.907 4.286 0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.561 4.695 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.295 3.036 -0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.877 2.911 0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.348 1.604 -0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.966 2.320 -0.554 1.00 0.00 H new ATOM 791 N ALA A 57 3.826 4.370 -3.954 1.00 0.00 N ATOM 792 CA ALA A 57 3.398 5.435 -4.853 1.00 0.00 C ATOM 793 C ALA A 57 2.028 5.972 -4.454 1.00 0.00 C ATOM 794 O ALA A 57 1.214 5.254 -3.872 1.00 0.00 O ATOM 795 CB ALA A 57 3.373 4.934 -6.290 1.00 0.00 C ATOM 0 H ALA A 57 3.066 3.799 -3.584 1.00 0.00 H new ATOM 0 HA ALA A 57 4.116 6.252 -4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.052 5.739 -6.951 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.371 4.605 -6.578 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.678 4.098 -6.372 1.00 0.00 H new ATOM 801 N TYR A 58 1.779 7.238 -4.770 1.00 0.00 N ATOM 802 CA TYR A 58 0.508 7.872 -4.441 1.00 0.00 C ATOM 803 C TYR A 58 0.103 8.872 -5.520 1.00 0.00 C ATOM 804 O TYR A 58 0.954 9.496 -6.153 1.00 0.00 O ATOM 805 CB TYR A 58 0.600 8.576 -3.086 1.00 0.00 C ATOM 806 CG TYR A 58 1.776 9.520 -2.973 1.00 0.00 C ATOM 807 CD1 TYR A 58 3.037 9.051 -2.625 1.00 0.00 C ATOM 808 CD2 TYR A 58 1.626 10.880 -3.213 1.00 0.00 C ATOM 809 CE1 TYR A 58 4.114 9.910 -2.519 1.00 0.00 C ATOM 810 CE2 TYR A 58 2.697 11.746 -3.112 1.00 0.00 C ATOM 811 CZ TYR A 58 3.939 11.256 -2.764 1.00 0.00 C ATOM 812 OH TYR A 58 5.009 12.115 -2.660 1.00 0.00 O ATOM 0 H TYR A 58 2.441 7.845 -5.254 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.254 7.094 -4.387 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.321 9.133 -2.912 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.671 7.825 -2.300 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.178 7.997 -2.434 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.655 11.267 -3.483 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.087 9.530 -2.246 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.563 12.800 -3.304 1.00 0.00 H new ATOM 0 HH TYR A 58 4.717 13.028 -2.865 1.00 0.00 H new ATOM 822 N GLU A 59 -1.202 9.019 -5.722 1.00 0.00 N ATOM 823 CA GLU A 59 -1.721 9.943 -6.724 1.00 0.00 C ATOM 824 C GLU A 59 -3.135 10.392 -6.370 1.00 0.00 C ATOM 825 O GLU A 59 -3.992 9.574 -6.037 1.00 0.00 O ATOM 826 CB GLU A 59 -1.713 9.288 -8.107 1.00 0.00 C ATOM 827 CG GLU A 59 -2.049 10.247 -9.236 1.00 0.00 C ATOM 828 CD GLU A 59 -2.706 9.554 -10.414 1.00 0.00 C ATOM 829 OE1 GLU A 59 -2.009 8.801 -11.125 1.00 0.00 O ATOM 830 OE2 GLU A 59 -3.920 9.764 -10.623 1.00 0.00 O ATOM 0 H GLU A 59 -1.920 8.510 -5.205 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.074 10.820 -6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.729 8.856 -8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.429 8.466 -8.115 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.713 11.026 -8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.137 10.741 -9.572 1.00 0.00 H new ATOM 837 N ALA A 60 -3.371 11.698 -6.444 1.00 0.00 N ATOM 838 CA ALA A 60 -4.681 12.256 -6.133 1.00 0.00 C ATOM 839 C ALA A 60 -5.732 11.778 -7.129 1.00 0.00 C ATOM 840 O ALA A 60 -5.645 12.063 -8.324 1.00 0.00 O ATOM 841 CB ALA A 60 -4.617 13.777 -6.119 1.00 0.00 C ATOM 0 H ALA A 60 -2.672 12.389 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.972 11.906 -5.142 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.602 14.180 -5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.902 14.104 -5.364 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.300 14.137 -7.098 1.00 0.00 H new ATOM 847 N VAL A 61 -6.726 11.049 -6.631 1.00 0.00 N ATOM 848 CA VAL A 61 -7.794 10.532 -7.477 1.00 0.00 C ATOM 849 C VAL A 61 -8.849 11.599 -7.744 1.00 0.00 C ATOM 850 O VAL A 61 -9.305 11.767 -8.876 1.00 0.00 O ATOM 851 CB VAL A 61 -8.471 9.304 -6.839 1.00 0.00 C ATOM 852 CG1 VAL A 61 -9.155 9.689 -5.535 1.00 0.00 C ATOM 853 CG2 VAL A 61 -9.465 8.681 -7.807 1.00 0.00 C ATOM 0 H VAL A 61 -6.813 10.803 -5.645 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.335 10.235 -8.420 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.704 8.563 -6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.628 8.809 -5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.415 10.086 -4.840 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.912 10.448 -5.732 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.934 7.815 -7.340 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.230 9.413 -8.064 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.944 8.368 -8.712 1.00 0.00 H new ATOM 863 N ASP A 62 -9.233 12.319 -6.696 1.00 0.00 N ATOM 864 CA ASP A 62 -10.235 13.372 -6.817 1.00 0.00 C ATOM 865 C ASP A 62 -9.622 14.740 -6.531 1.00 0.00 C ATOM 866 O ASP A 62 -10.227 15.574 -5.858 1.00 0.00 O ATOM 867 CB ASP A 62 -11.399 13.111 -5.860 1.00 0.00 C ATOM 868 CG ASP A 62 -12.407 12.131 -6.428 1.00 0.00 C ATOM 869 OD1 ASP A 62 -12.019 11.315 -7.290 1.00 0.00 O ATOM 870 OD2 ASP A 62 -13.583 12.182 -6.012 1.00 0.00 O ATOM 0 H ASP A 62 -8.866 12.193 -5.753 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.609 13.368 -7.841 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.011 12.724 -4.918 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.899 14.053 -5.635 1.00 0.00 H new ATOM 875 N GLY A 63 -8.416 14.962 -7.046 1.00 0.00 N ATOM 876 CA GLY A 63 -7.741 16.229 -6.834 1.00 0.00 C ATOM 877 C GLY A 63 -7.289 16.869 -8.131 1.00 0.00 C ATOM 878 O GLY A 63 -7.163 16.194 -9.152 1.00 0.00 O ATOM 0 H GLY A 63 -7.895 14.287 -7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.411 16.911 -6.310 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.876 16.073 -6.189 1.00 0.00 H new ATOM 882 N GLU A 64 -7.044 18.175 -8.091 1.00 0.00 N ATOM 883 CA GLU A 64 -6.605 18.906 -9.274 1.00 0.00 C ATOM 884 C GLU A 64 -5.333 18.292 -9.852 1.00 0.00 C ATOM 885 O GLU A 64 -5.244 18.038 -11.054 1.00 0.00 O ATOM 886 CB GLU A 64 -6.365 20.378 -8.932 1.00 0.00 C ATOM 887 CG GLU A 64 -7.639 21.202 -8.859 1.00 0.00 C ATOM 888 CD GLU A 64 -8.653 20.804 -9.914 1.00 0.00 C ATOM 889 OE1 GLU A 64 -9.449 19.878 -9.654 1.00 0.00 O ATOM 890 OE2 GLU A 64 -8.649 21.419 -11.001 1.00 0.00 O ATOM 0 H GLU A 64 -7.142 18.748 -7.253 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.393 18.839 -10.024 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.847 20.440 -7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.704 20.813 -9.681 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.085 21.088 -7.871 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.392 22.257 -8.978 1.00 0.00 H new ATOM 897 N ASP A 65 -4.352 18.057 -8.988 1.00 0.00 N ATOM 898 CA ASP A 65 -3.085 17.473 -9.412 1.00 0.00 C ATOM 899 C ASP A 65 -3.199 15.956 -9.533 1.00 0.00 C ATOM 900 O ASP A 65 -3.403 15.258 -8.540 1.00 0.00 O ATOM 901 CB ASP A 65 -1.976 17.835 -8.422 1.00 0.00 C ATOM 902 CG ASP A 65 -0.599 17.455 -8.931 1.00 0.00 C ATOM 903 OD1 ASP A 65 -0.026 18.227 -9.728 1.00 0.00 O ATOM 904 OD2 ASP A 65 -0.094 16.385 -8.530 1.00 0.00 O ATOM 0 H ASP A 65 -4.410 18.262 -7.990 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.835 17.880 -10.392 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.004 18.907 -8.225 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.161 17.331 -7.473 1.00 0.00 H new ATOM 909 N ARG A 66 -3.067 15.454 -10.757 1.00 0.00 N ATOM 910 CA ARG A 66 -3.158 14.021 -11.008 1.00 0.00 C ATOM 911 C ARG A 66 -1.769 13.408 -11.167 1.00 0.00 C ATOM 912 O ARG A 66 -1.608 12.369 -11.805 1.00 0.00 O ATOM 913 CB ARG A 66 -3.992 13.754 -12.263 1.00 0.00 C ATOM 914 CG ARG A 66 -5.476 13.586 -11.983 1.00 0.00 C ATOM 915 CD ARG A 66 -5.802 12.169 -11.538 1.00 0.00 C ATOM 916 NE ARG A 66 -7.242 11.937 -11.460 1.00 0.00 N ATOM 917 CZ ARG A 66 -7.785 10.737 -11.286 1.00 0.00 C ATOM 918 NH1 ARG A 66 -7.012 9.666 -11.172 1.00 0.00 N ATOM 919 NH2 ARG A 66 -9.104 10.607 -11.225 1.00 0.00 N ATOM 0 H ARG A 66 -2.897 16.018 -11.589 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.645 13.557 -10.151 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.854 14.578 -12.963 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.619 12.854 -12.752 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.784 14.291 -11.211 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.046 13.827 -12.880 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.358 11.459 -12.235 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.352 11.983 -10.563 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.865 12.740 -11.544 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.998 9.762 -11.218 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.432 8.746 -11.038 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.702 11.429 -11.312 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.520 9.685 -11.091 1.00 0.00 H new ATOM 933 N GLY A 67 -0.769 14.061 -10.582 1.00 0.00 N ATOM 934 CA GLY A 67 0.592 13.565 -10.671 1.00 0.00 C ATOM 935 C GLY A 67 0.881 12.479 -9.655 1.00 0.00 C ATOM 936 O GLY A 67 0.818 12.715 -8.448 1.00 0.00 O ATOM 0 H GLY A 67 -0.877 14.924 -10.049 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.769 13.176 -11.674 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.287 14.391 -10.522 1.00 0.00 H new ATOM 940 N ARG A 68 1.198 11.283 -10.143 1.00 0.00 N ATOM 941 CA ARG A 68 1.495 10.155 -9.268 1.00 0.00 C ATOM 942 C ARG A 68 2.963 10.161 -8.853 1.00 0.00 C ATOM 943 O ARG A 68 3.858 10.114 -9.697 1.00 0.00 O ATOM 944 CB ARG A 68 1.156 8.838 -9.968 1.00 0.00 C ATOM 945 CG ARG A 68 1.491 7.606 -9.141 1.00 0.00 C ATOM 946 CD ARG A 68 1.803 6.410 -10.026 1.00 0.00 C ATOM 947 NE ARG A 68 0.598 5.845 -10.629 1.00 0.00 N ATOM 948 CZ ARG A 68 0.599 4.761 -11.396 1.00 0.00 C ATOM 949 NH1 ARG A 68 1.735 4.127 -11.653 1.00 0.00 N ATOM 950 NH2 ARG A 68 -0.538 4.308 -11.908 1.00 0.00 N ATOM 0 H ARG A 68 1.256 11.071 -11.139 1.00 0.00 H new ATOM 0 HA ARG A 68 0.882 10.250 -8.372 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.093 8.827 -10.208 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.696 8.789 -10.913 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.346 7.818 -8.500 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.653 7.367 -8.486 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.494 6.712 -10.813 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.306 5.644 -9.436 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.293 6.309 -10.451 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.611 4.472 -11.261 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.732 3.295 -12.243 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.414 4.792 -11.713 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.536 3.475 -12.497 1.00 0.00 H new ATOM 964 N HIS A 69 3.203 10.220 -7.547 1.00 0.00 N ATOM 965 CA HIS A 69 4.563 10.232 -7.019 1.00 0.00 C ATOM 966 C HIS A 69 5.026 8.819 -6.679 1.00 0.00 C ATOM 967 O HIS A 69 4.211 7.914 -6.498 1.00 0.00 O ATOM 968 CB HIS A 69 4.643 11.121 -5.778 1.00 0.00 C ATOM 969 CG HIS A 69 4.700 12.584 -6.092 1.00 0.00 C ATOM 970 ND1 HIS A 69 5.751 13.394 -5.715 1.00 0.00 N ATOM 971 CD2 HIS A 69 3.830 13.383 -6.752 1.00 0.00 C ATOM 972 CE1 HIS A 69 5.523 14.628 -6.128 1.00 0.00 C ATOM 973 NE2 HIS A 69 4.364 14.648 -6.761 1.00 0.00 N ATOM 0 H HIS A 69 2.474 10.260 -6.835 1.00 0.00 H new ATOM 0 HA HIS A 69 5.222 10.636 -7.788 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.777 10.927 -5.146 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.526 10.847 -5.201 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.890 13.082 -7.190 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.174 15.476 -5.974 1.00 0.00 H new ATOM 0 HE2 HIS A 69 3.935 15.470 -7.187 1.00 0.00 H new ATOM 982 N VAL A 70 6.340 8.636 -6.593 1.00 0.00 N ATOM 983 CA VAL A 70 6.911 7.333 -6.273 1.00 0.00 C ATOM 984 C VAL A 70 8.098 7.471 -5.326 1.00 0.00 C ATOM 985 O VAL A 70 9.041 8.213 -5.599 1.00 0.00 O ATOM 986 CB VAL A 70 7.367 6.594 -7.545 1.00 0.00 C ATOM 987 CG1 VAL A 70 8.021 5.268 -7.187 1.00 0.00 C ATOM 988 CG2 VAL A 70 6.192 6.380 -8.487 1.00 0.00 C ATOM 0 H VAL A 70 7.029 9.374 -6.740 1.00 0.00 H new ATOM 0 HA VAL A 70 6.127 6.754 -5.786 1.00 0.00 H new ATOM 0 HB VAL A 70 8.106 7.210 -8.057 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.337 4.760 -8.098 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.889 5.450 -6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.306 4.643 -6.652 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.533 5.857 -9.380 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.428 5.785 -7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.772 7.345 -8.770 1.00 0.00 H new ATOM 998 N VAL A 71 8.044 6.750 -4.211 1.00 0.00 N ATOM 999 CA VAL A 71 9.115 6.790 -3.222 1.00 0.00 C ATOM 1000 C VAL A 71 10.208 5.781 -3.555 1.00 0.00 C ATOM 1001 O VAL A 71 9.924 4.629 -3.883 1.00 0.00 O ATOM 1002 CB VAL A 71 8.582 6.505 -1.805 1.00 0.00 C ATOM 1003 CG1 VAL A 71 9.707 6.591 -0.785 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.458 7.468 -1.455 1.00 0.00 C ATOM 0 H VAL A 71 7.270 6.131 -3.970 1.00 0.00 H new ATOM 0 HA VAL A 71 9.533 7.796 -3.249 1.00 0.00 H new ATOM 0 HB VAL A 71 8.181 5.492 -1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.312 6.387 0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.475 5.857 -1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.141 7.591 -0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.093 7.252 -0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.831 8.492 -1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.643 7.351 -2.170 1.00 0.00 H new ATOM 1014 N ASP A 72 11.458 6.221 -3.469 1.00 0.00 N ATOM 1015 CA ASP A 72 12.596 5.356 -3.759 1.00 0.00 C ATOM 1016 C ASP A 72 13.560 5.311 -2.578 1.00 0.00 C ATOM 1017 O ASP A 72 13.684 6.277 -1.827 1.00 0.00 O ATOM 1018 CB ASP A 72 13.326 5.842 -5.012 1.00 0.00 C ATOM 1019 CG ASP A 72 12.423 5.888 -6.228 1.00 0.00 C ATOM 1020 OD1 ASP A 72 12.324 4.861 -6.933 1.00 0.00 O ATOM 1021 OD2 ASP A 72 11.814 6.949 -6.475 1.00 0.00 O ATOM 0 H ASP A 72 11.710 7.172 -3.201 1.00 0.00 H new ATOM 0 HA ASP A 72 12.220 4.348 -3.935 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.734 6.836 -4.828 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.170 5.183 -5.215 1.00 0.00 H new ATOM 1026 N GLY A 73 14.241 4.180 -2.419 1.00 0.00 N ATOM 1027 CA GLY A 73 15.184 4.029 -1.327 1.00 0.00 C ATOM 1028 C GLY A 73 14.505 3.676 -0.018 1.00 0.00 C ATOM 1029 O GLY A 73 14.697 4.353 0.991 1.00 0.00 O ATOM 0 H GLY A 73 14.156 3.366 -3.027 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.906 3.252 -1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.744 4.956 -1.204 1.00 0.00 H new ATOM 1033 N ILE A 74 13.707 2.613 -0.036 1.00 0.00 N ATOM 1034 CA ILE A 74 12.996 2.172 1.158 1.00 0.00 C ATOM 1035 C ILE A 74 13.576 0.867 1.692 1.00 0.00 C ATOM 1036 O ILE A 74 13.732 -0.104 0.952 1.00 0.00 O ATOM 1037 CB ILE A 74 11.494 1.977 0.879 1.00 0.00 C ATOM 1038 CG1 ILE A 74 10.873 3.281 0.374 1.00 0.00 C ATOM 1039 CG2 ILE A 74 10.781 1.495 2.133 1.00 0.00 C ATOM 1040 CD1 ILE A 74 9.396 3.168 0.068 1.00 0.00 C ATOM 0 H ILE A 74 13.537 2.042 -0.864 1.00 0.00 H new ATOM 0 HA ILE A 74 13.119 2.955 1.906 1.00 0.00 H new ATOM 0 HB ILE A 74 11.379 1.218 0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 74 11.022 4.059 1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.399 3.600 -0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.720 1.362 1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.209 0.545 2.452 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.902 2.232 2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.023 4.129 -0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.241 2.413 -0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.858 2.880 0.971 1.00 0.00 H new ATOM 1052 N SER A 75 13.894 0.852 2.983 1.00 0.00 N ATOM 1053 CA SER A 75 14.459 -0.333 3.617 1.00 0.00 C ATOM 1054 C SER A 75 13.472 -1.496 3.572 1.00 0.00 C ATOM 1055 O SER A 75 12.274 -1.317 3.789 1.00 0.00 O ATOM 1056 CB SER A 75 14.840 -0.029 5.067 1.00 0.00 C ATOM 1057 OG SER A 75 16.015 0.761 5.131 1.00 0.00 O ATOM 0 H SER A 75 13.770 1.647 3.610 1.00 0.00 H new ATOM 0 HA SER A 75 15.355 -0.618 3.065 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.020 0.493 5.560 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.995 -0.962 5.609 1.00 0.00 H new ATOM 0 HG SER A 75 16.236 0.943 6.068 1.00 0.00 H new ATOM 1063 N ARG A 76 13.985 -2.689 3.289 1.00 0.00 N ATOM 1064 CA ARG A 76 13.151 -3.882 3.213 1.00 0.00 C ATOM 1065 C ARG A 76 12.619 -4.261 4.593 1.00 0.00 C ATOM 1066 O ARG A 76 11.637 -4.993 4.709 1.00 0.00 O ATOM 1067 CB ARG A 76 13.943 -5.049 2.622 1.00 0.00 C ATOM 1068 CG ARG A 76 15.165 -5.433 3.442 1.00 0.00 C ATOM 1069 CD ARG A 76 16.113 -6.317 2.647 1.00 0.00 C ATOM 1070 NE ARG A 76 17.459 -6.325 3.215 1.00 0.00 N ATOM 1071 CZ ARG A 76 18.304 -5.305 3.116 1.00 0.00 C ATOM 1072 NH1 ARG A 76 17.945 -4.202 2.475 1.00 0.00 N ATOM 1073 NH2 ARG A 76 19.512 -5.388 3.660 1.00 0.00 N ATOM 0 H ARG A 76 14.975 -2.855 3.108 1.00 0.00 H new ATOM 0 HA ARG A 76 12.304 -3.662 2.563 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.287 -5.915 2.535 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.261 -4.787 1.613 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.688 -4.532 3.762 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.849 -5.956 4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.724 -7.335 2.622 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.157 -5.967 1.616 1.00 0.00 H new ATOM 0 HE ARG A 76 17.767 -7.159 3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.017 -4.135 2.056 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.596 -3.420 2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 76 19.792 -6.235 4.154 1.00 0.00 H new ATOM 0 HH22 ARG A 76 20.161 -4.604 3.584 1.00 0.00 H new ATOM 1087 N GLU A 77 13.276 -3.758 5.633 1.00 0.00 N ATOM 1088 CA GLU A 77 12.870 -4.046 7.004 1.00 0.00 C ATOM 1089 C GLU A 77 11.705 -3.155 7.424 1.00 0.00 C ATOM 1090 O GLU A 77 11.206 -3.254 8.546 1.00 0.00 O ATOM 1091 CB GLU A 77 14.048 -3.850 7.960 1.00 0.00 C ATOM 1092 CG GLU A 77 14.986 -5.044 8.023 1.00 0.00 C ATOM 1093 CD GLU A 77 15.728 -5.134 9.343 1.00 0.00 C ATOM 1094 OE1 GLU A 77 16.473 -4.187 9.670 1.00 0.00 O ATOM 1095 OE2 GLU A 77 15.563 -6.152 10.047 1.00 0.00 O ATOM 0 H GLU A 77 14.091 -3.150 5.553 1.00 0.00 H new ATOM 0 HA GLU A 77 12.545 -5.085 7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 77 14.613 -2.971 7.651 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.664 -3.647 8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.414 -5.959 7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.707 -4.978 7.209 1.00 0.00 H new ATOM 1102 N HIS A 78 11.276 -2.284 6.517 1.00 0.00 N ATOM 1103 CA HIS A 78 10.170 -1.374 6.793 1.00 0.00 C ATOM 1104 C HIS A 78 8.959 -1.714 5.929 1.00 0.00 C ATOM 1105 O HIS A 78 8.903 -1.356 4.753 1.00 0.00 O ATOM 1106 CB HIS A 78 10.598 0.073 6.545 1.00 0.00 C ATOM 1107 CG HIS A 78 11.182 0.740 7.752 1.00 0.00 C ATOM 1108 ND1 HIS A 78 10.509 0.853 8.950 1.00 0.00 N ATOM 1109 CD2 HIS A 78 12.386 1.329 7.942 1.00 0.00 C ATOM 1110 CE1 HIS A 78 11.272 1.484 9.824 1.00 0.00 C ATOM 1111 NE2 HIS A 78 12.417 1.784 9.237 1.00 0.00 N ATOM 0 H HIS A 78 11.677 -2.189 5.584 1.00 0.00 H new ATOM 0 HA HIS A 78 9.891 -1.488 7.840 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.331 0.093 5.739 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.735 0.646 6.206 1.00 0.00 H new ATOM 0 HD2 HIS A 78 13.175 1.423 7.211 1.00 0.00 H new ATOM 0 HE1 HIS A 78 11.005 1.715 10.845 1.00 0.00 H new ATOM 0 HE2 HIS A 78 13.197 2.274 9.675 1.00 0.00 H new ATOM 1120 N SER A 79 7.992 -2.408 6.522 1.00 0.00 N ATOM 1121 CA SER A 79 6.784 -2.800 5.805 1.00 0.00 C ATOM 1122 C SER A 79 5.758 -1.671 5.813 1.00 0.00 C ATOM 1123 O SER A 79 4.571 -1.895 5.574 1.00 0.00 O ATOM 1124 CB SER A 79 6.180 -4.058 6.432 1.00 0.00 C ATOM 1125 OG SER A 79 5.870 -3.848 7.799 1.00 0.00 O ATOM 0 H SER A 79 8.022 -2.710 7.496 1.00 0.00 H new ATOM 0 HA SER A 79 7.057 -3.013 4.771 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.277 -4.341 5.890 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.881 -4.887 6.338 1.00 0.00 H new ATOM 0 HG SER A 79 5.484 -4.666 8.176 1.00 0.00 H new ATOM 1131 N SER A 80 6.224 -0.458 6.088 1.00 0.00 N ATOM 1132 CA SER A 80 5.347 0.707 6.130 1.00 0.00 C ATOM 1133 C SER A 80 6.099 1.969 5.718 1.00 0.00 C ATOM 1134 O SER A 80 7.328 2.016 5.771 1.00 0.00 O ATOM 1135 CB SER A 80 4.765 0.882 7.534 1.00 0.00 C ATOM 1136 OG SER A 80 5.790 0.904 8.512 1.00 0.00 O ATOM 0 H SER A 80 7.204 -0.255 6.285 1.00 0.00 H new ATOM 0 HA SER A 80 4.533 0.544 5.424 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.193 1.809 7.581 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.072 0.069 7.748 1.00 0.00 H new ATOM 0 HG SER A 80 5.392 1.019 9.400 1.00 0.00 H new ATOM 1142 N TRP A 81 5.352 2.987 5.309 1.00 0.00 N ATOM 1143 CA TRP A 81 5.948 4.251 4.887 1.00 0.00 C ATOM 1144 C TRP A 81 5.028 5.422 5.213 1.00 0.00 C ATOM 1145 O TRP A 81 3.806 5.273 5.242 1.00 0.00 O ATOM 1146 CB TRP A 81 6.246 4.222 3.388 1.00 0.00 C ATOM 1147 CG TRP A 81 7.123 5.351 2.935 1.00 0.00 C ATOM 1148 CD1 TRP A 81 6.746 6.434 2.194 1.00 0.00 C ATOM 1149 CD2 TRP A 81 8.523 5.505 3.192 1.00 0.00 C ATOM 1150 NE1 TRP A 81 7.827 7.253 1.975 1.00 0.00 N ATOM 1151 CE2 TRP A 81 8.929 6.705 2.577 1.00 0.00 C ATOM 1152 CE3 TRP A 81 9.472 4.746 3.882 1.00 0.00 C ATOM 1153 CZ2 TRP A 81 10.243 7.162 2.633 1.00 0.00 C ATOM 1154 CZ3 TRP A 81 10.776 5.201 3.936 1.00 0.00 C ATOM 1155 CH2 TRP A 81 11.152 6.400 3.316 1.00 0.00 C ATOM 0 H TRP A 81 4.333 2.963 5.260 1.00 0.00 H new ATOM 0 HA TRP A 81 6.882 4.384 5.433 1.00 0.00 H new ATOM 0 HB2 TRP A 81 6.726 3.276 3.138 1.00 0.00 H new ATOM 0 HB3 TRP A 81 5.306 4.258 2.837 1.00 0.00 H new ATOM 0 HD1 TRP A 81 5.745 6.620 1.833 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.812 8.127 1.450 1.00 0.00 H new ATOM 0 HE3 TRP A 81 9.192 3.821 4.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 10.535 8.085 2.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 11.518 4.622 4.465 1.00 0.00 H new ATOM 0 HH2 TRP A 81 12.179 6.729 3.378 1.00 0.00 H new ATOM 1166 N ASP A 82 5.621 6.585 5.457 1.00 0.00 N ATOM 1167 CA ASP A 82 4.853 7.782 5.779 1.00 0.00 C ATOM 1168 C ASP A 82 4.983 8.825 4.673 1.00 0.00 C ATOM 1169 O ASP A 82 5.992 9.525 4.580 1.00 0.00 O ATOM 1170 CB ASP A 82 5.322 8.372 7.110 1.00 0.00 C ATOM 1171 CG ASP A 82 6.828 8.312 7.271 1.00 0.00 C ATOM 1172 OD1 ASP A 82 7.339 7.250 7.686 1.00 0.00 O ATOM 1173 OD2 ASP A 82 7.497 9.327 6.983 1.00 0.00 O ATOM 0 H ASP A 82 6.631 6.725 5.438 1.00 0.00 H new ATOM 0 HA ASP A 82 3.804 7.498 5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 82 4.993 9.409 7.181 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.850 7.831 7.930 1.00 0.00 H new ATOM 1178 N LEU A 83 3.957 8.922 3.835 1.00 0.00 N ATOM 1179 CA LEU A 83 3.956 9.878 2.734 1.00 0.00 C ATOM 1180 C LEU A 83 3.749 11.300 3.247 1.00 0.00 C ATOM 1181 O LEU A 83 2.911 11.542 4.116 1.00 0.00 O ATOM 1182 CB LEU A 83 2.861 9.524 1.725 1.00 0.00 C ATOM 1183 CG LEU A 83 2.898 8.101 1.167 1.00 0.00 C ATOM 1184 CD1 LEU A 83 1.683 7.841 0.290 1.00 0.00 C ATOM 1185 CD2 LEU A 83 4.183 7.867 0.387 1.00 0.00 C ATOM 0 H LEU A 83 3.115 8.350 3.897 1.00 0.00 H new ATOM 0 HA LEU A 83 4.927 9.827 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.893 9.682 2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.924 10.222 0.890 1.00 0.00 H new ATOM 0 HG LEU A 83 2.873 7.402 2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.726 6.824 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.775 7.966 0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.676 8.547 -0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.192 6.849 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.240 8.573 -0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.040 8.011 1.045 1.00 0.00 H new ATOM 1197 N VAL A 84 4.518 12.238 2.703 1.00 0.00 N ATOM 1198 CA VAL A 84 4.417 13.636 3.103 1.00 0.00 C ATOM 1199 C VAL A 84 4.423 14.557 1.888 1.00 0.00 C ATOM 1200 O VAL A 84 5.311 14.478 1.041 1.00 0.00 O ATOM 1201 CB VAL A 84 5.571 14.035 4.042 1.00 0.00 C ATOM 1202 CG1 VAL A 84 5.562 13.174 5.295 1.00 0.00 C ATOM 1203 CG2 VAL A 84 6.906 13.928 3.321 1.00 0.00 C ATOM 0 H VAL A 84 5.218 12.055 1.984 1.00 0.00 H new ATOM 0 HA VAL A 84 3.471 13.746 3.634 1.00 0.00 H new ATOM 0 HB VAL A 84 5.429 15.073 4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.384 13.471 5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.617 13.307 5.821 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.679 12.126 5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.710 14.214 3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.059 12.901 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.907 14.593 2.457 1.00 0.00 H new ATOM 1213 N GLY A 85 3.425 15.432 1.811 1.00 0.00 N ATOM 1214 CA GLY A 85 3.334 16.357 0.696 1.00 0.00 C ATOM 1215 C GLY A 85 2.099 16.124 -0.151 1.00 0.00 C ATOM 1216 O GLY A 85 2.197 15.926 -1.363 1.00 0.00 O ATOM 0 H GLY A 85 2.678 15.517 2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.323 17.379 1.076 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.222 16.258 0.072 1.00 0.00 H new ATOM 1220 N LEU A 86 0.934 16.145 0.486 1.00 0.00 N ATOM 1221 CA LEU A 86 -0.327 15.932 -0.218 1.00 0.00 C ATOM 1222 C LEU A 86 -1.342 17.010 0.147 1.00 0.00 C ATOM 1223 O LEU A 86 -1.076 17.867 0.989 1.00 0.00 O ATOM 1224 CB LEU A 86 -0.892 14.550 0.115 1.00 0.00 C ATOM 1225 CG LEU A 86 0.131 13.422 0.252 1.00 0.00 C ATOM 1226 CD1 LEU A 86 -0.462 12.255 1.026 1.00 0.00 C ATOM 1227 CD2 LEU A 86 0.611 12.967 -1.118 1.00 0.00 C ATOM 0 H LEU A 86 0.835 16.307 1.488 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.132 15.990 -1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.450 14.623 1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.605 14.274 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 86 0.989 13.801 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.280 11.462 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.755 12.590 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.337 11.876 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.338 12.164 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.237 12.606 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.076 13.805 -1.637 1.00 0.00 H new ATOM 1239 N GLU A 87 -2.507 16.959 -0.492 1.00 0.00 N ATOM 1240 CA GLU A 87 -3.562 17.931 -0.234 1.00 0.00 C ATOM 1241 C GLU A 87 -4.369 17.543 1.003 1.00 0.00 C ATOM 1242 O GLU A 87 -4.380 16.382 1.411 1.00 0.00 O ATOM 1243 CB GLU A 87 -4.490 18.045 -1.446 1.00 0.00 C ATOM 1244 CG GLU A 87 -5.285 19.339 -1.484 1.00 0.00 C ATOM 1245 CD GLU A 87 -4.416 20.549 -1.765 1.00 0.00 C ATOM 1246 OE1 GLU A 87 -3.757 21.038 -0.824 1.00 0.00 O ATOM 1247 OE2 GLU A 87 -4.396 21.008 -2.927 1.00 0.00 O ATOM 0 H GLU A 87 -2.743 16.255 -1.191 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.093 18.898 -0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.896 17.967 -2.357 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.182 17.203 -1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.057 19.265 -2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.795 19.476 -0.530 1.00 0.00 H new ATOM 1254 N LYS A 88 -5.041 18.524 1.595 1.00 0.00 N ATOM 1255 CA LYS A 88 -5.851 18.288 2.784 1.00 0.00 C ATOM 1256 C LYS A 88 -7.293 17.967 2.405 1.00 0.00 C ATOM 1257 O LYS A 88 -7.845 18.554 1.474 1.00 0.00 O ATOM 1258 CB LYS A 88 -5.814 19.511 3.703 1.00 0.00 C ATOM 1259 CG LYS A 88 -4.420 20.083 3.898 1.00 0.00 C ATOM 1260 CD LYS A 88 -4.470 21.499 4.446 1.00 0.00 C ATOM 1261 CE LYS A 88 -3.129 22.201 4.301 1.00 0.00 C ATOM 1262 NZ LYS A 88 -2.172 21.794 5.367 1.00 0.00 N ATOM 0 H LYS A 88 -5.041 19.491 1.271 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.434 17.431 3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.461 20.285 3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.225 19.237 4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.857 19.447 4.581 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.888 20.079 2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.238 22.067 3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.757 21.473 5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.703 21.972 3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.278 23.280 4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.198 21.929 5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.328 22.376 6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.321 20.792 5.603 1.00 0.00 H new ATOM 1276 N TRP A 89 -7.898 17.035 3.133 1.00 0.00 N ATOM 1277 CA TRP A 89 -9.277 16.638 2.873 1.00 0.00 C ATOM 1278 C TRP A 89 -9.445 16.164 1.434 1.00 0.00 C ATOM 1279 O TRP A 89 -10.371 16.580 0.736 1.00 0.00 O ATOM 1280 CB TRP A 89 -10.226 17.804 3.153 1.00 0.00 C ATOM 1281 CG TRP A 89 -11.574 17.368 3.645 1.00 0.00 C ATOM 1282 CD1 TRP A 89 -11.855 16.259 4.390 1.00 0.00 C ATOM 1283 CD2 TRP A 89 -12.822 18.033 3.424 1.00 0.00 C ATOM 1284 NE1 TRP A 89 -13.203 16.194 4.645 1.00 0.00 N ATOM 1285 CE2 TRP A 89 -13.819 17.271 4.064 1.00 0.00 C ATOM 1286 CE3 TRP A 89 -13.196 19.198 2.749 1.00 0.00 C ATOM 1287 CZ2 TRP A 89 -15.162 17.637 4.047 1.00 0.00 C ATOM 1288 CZ3 TRP A 89 -14.529 19.560 2.733 1.00 0.00 C ATOM 1289 CH2 TRP A 89 -15.499 18.783 3.379 1.00 0.00 C ATOM 0 H TRP A 89 -7.455 16.540 3.908 1.00 0.00 H new ATOM 0 HA TRP A 89 -9.523 15.811 3.539 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -9.772 18.463 3.894 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -10.351 18.388 2.241 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -11.125 15.539 4.729 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -13.670 15.462 5.180 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -12.456 19.805 2.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -15.911 17.038 4.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -14.829 20.458 2.213 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -16.533 19.094 3.349 1.00 0.00 H new ATOM 1300 N THR A 90 -8.545 15.290 0.994 1.00 0.00 N ATOM 1301 CA THR A 90 -8.594 14.761 -0.363 1.00 0.00 C ATOM 1302 C THR A 90 -8.189 13.291 -0.394 1.00 0.00 C ATOM 1303 O THR A 90 -7.253 12.881 0.291 1.00 0.00 O ATOM 1304 CB THR A 90 -7.674 15.555 -1.310 1.00 0.00 C ATOM 1305 OG1 THR A 90 -8.162 16.892 -1.459 1.00 0.00 O ATOM 1306 CG2 THR A 90 -7.591 14.884 -2.673 1.00 0.00 C ATOM 0 H THR A 90 -7.773 14.934 1.558 1.00 0.00 H new ATOM 0 HA THR A 90 -9.625 14.859 -0.704 1.00 0.00 H new ATOM 0 HB THR A 90 -6.675 15.580 -0.874 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.571 17.391 -2.061 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.936 15.463 -3.324 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.191 13.876 -2.559 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.586 14.831 -3.114 1.00 0.00 H new ATOM 1314 N GLU A 91 -8.901 12.503 -1.194 1.00 0.00 N ATOM 1315 CA GLU A 91 -8.615 11.078 -1.313 1.00 0.00 C ATOM 1316 C GLU A 91 -7.367 10.843 -2.160 1.00 0.00 C ATOM 1317 O GLU A 91 -7.083 11.599 -3.089 1.00 0.00 O ATOM 1318 CB GLU A 91 -9.809 10.346 -1.930 1.00 0.00 C ATOM 1319 CG GLU A 91 -9.751 8.837 -1.759 1.00 0.00 C ATOM 1320 CD GLU A 91 -10.988 8.142 -2.295 1.00 0.00 C ATOM 1321 OE1 GLU A 91 -11.040 7.881 -3.515 1.00 0.00 O ATOM 1322 OE2 GLU A 91 -11.904 7.859 -1.494 1.00 0.00 O ATOM 0 H GLU A 91 -9.679 12.827 -1.769 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.434 10.684 -0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.727 10.720 -1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.859 10.581 -2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.870 8.450 -2.272 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.634 8.599 -0.702 1.00 0.00 H new ATOM 1329 N TYR A 92 -6.627 9.791 -1.830 1.00 0.00 N ATOM 1330 CA TYR A 92 -5.408 9.457 -2.557 1.00 0.00 C ATOM 1331 C TYR A 92 -5.247 7.945 -2.686 1.00 0.00 C ATOM 1332 O TYR A 92 -5.510 7.199 -1.743 1.00 0.00 O ATOM 1333 CB TYR A 92 -4.188 10.052 -1.851 1.00 0.00 C ATOM 1334 CG TYR A 92 -3.916 11.492 -2.224 1.00 0.00 C ATOM 1335 CD1 TYR A 92 -3.111 11.808 -3.311 1.00 0.00 C ATOM 1336 CD2 TYR A 92 -4.464 12.536 -1.489 1.00 0.00 C ATOM 1337 CE1 TYR A 92 -2.859 13.122 -3.655 1.00 0.00 C ATOM 1338 CE2 TYR A 92 -4.219 13.853 -1.826 1.00 0.00 C ATOM 1339 CZ TYR A 92 -3.416 14.141 -2.909 1.00 0.00 C ATOM 1340 OH TYR A 92 -3.168 15.451 -3.249 1.00 0.00 O ATOM 0 H TYR A 92 -6.850 9.155 -1.064 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.484 9.883 -3.557 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.334 9.986 -0.773 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -3.311 9.451 -2.091 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.675 11.013 -3.897 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -5.093 12.314 -0.639 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.230 13.351 -4.503 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -4.654 14.652 -1.244 1.00 0.00 H new ATOM 0 HH TYR A 92 -4.015 15.942 -3.299 1.00 0.00 H new ATOM 1350 N ARG A 93 -4.812 7.501 -3.861 1.00 0.00 N ATOM 1351 CA ARG A 93 -4.616 6.078 -4.114 1.00 0.00 C ATOM 1352 C ARG A 93 -3.154 5.688 -3.920 1.00 0.00 C ATOM 1353 O ARG A 93 -2.290 6.063 -4.712 1.00 0.00 O ATOM 1354 CB ARG A 93 -5.065 5.725 -5.534 1.00 0.00 C ATOM 1355 CG ARG A 93 -6.574 5.643 -5.692 1.00 0.00 C ATOM 1356 CD ARG A 93 -6.965 4.713 -6.830 1.00 0.00 C ATOM 1357 NE ARG A 93 -8.385 4.815 -7.158 1.00 0.00 N ATOM 1358 CZ ARG A 93 -8.908 4.385 -8.300 1.00 0.00 C ATOM 1359 NH1 ARG A 93 -8.133 3.826 -9.220 1.00 0.00 N ATOM 1360 NH2 ARG A 93 -10.209 4.513 -8.525 1.00 0.00 N ATOM 0 H ARG A 93 -4.589 8.105 -4.652 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.221 5.520 -3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.676 6.472 -6.226 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.626 4.769 -5.818 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.020 5.289 -4.762 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.976 6.639 -5.880 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.371 4.951 -7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.730 3.685 -6.555 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.009 5.240 -6.472 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.132 3.725 -9.051 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.538 3.497 -10.096 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.809 4.942 -7.820 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.610 4.182 -9.403 1.00 0.00 H new ATOM 1374 N VAL A 94 -2.884 4.932 -2.860 1.00 0.00 N ATOM 1375 CA VAL A 94 -1.528 4.490 -2.561 1.00 0.00 C ATOM 1376 C VAL A 94 -1.286 3.074 -3.071 1.00 0.00 C ATOM 1377 O VAL A 94 -2.070 2.164 -2.799 1.00 0.00 O ATOM 1378 CB VAL A 94 -1.243 4.535 -1.048 1.00 0.00 C ATOM 1379 CG1 VAL A 94 0.175 4.067 -0.757 1.00 0.00 C ATOM 1380 CG2 VAL A 94 -1.472 5.938 -0.505 1.00 0.00 C ATOM 0 H VAL A 94 -3.588 4.613 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.852 5.177 -3.071 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.934 3.858 -0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.358 4.106 0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.300 3.043 -1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.885 4.716 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.266 5.952 0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.807 6.637 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.507 6.231 -0.679 1.00 0.00 H new ATOM 1390 N TRP A 95 -0.198 2.895 -3.810 1.00 0.00 N ATOM 1391 CA TRP A 95 0.147 1.588 -4.358 1.00 0.00 C ATOM 1392 C TRP A 95 1.511 1.129 -3.853 1.00 0.00 C ATOM 1393 O TRP A 95 2.540 1.709 -4.200 1.00 0.00 O ATOM 1394 CB TRP A 95 0.145 1.636 -5.887 1.00 0.00 C ATOM 1395 CG TRP A 95 -1.210 1.897 -6.471 1.00 0.00 C ATOM 1396 CD1 TRP A 95 -2.197 0.981 -6.693 1.00 0.00 C ATOM 1397 CD2 TRP A 95 -1.725 3.159 -6.909 1.00 0.00 C ATOM 1398 NE1 TRP A 95 -3.296 1.597 -7.243 1.00 0.00 N ATOM 1399 CE2 TRP A 95 -3.032 2.933 -7.385 1.00 0.00 C ATOM 1400 CE3 TRP A 95 -1.211 4.458 -6.943 1.00 0.00 C ATOM 1401 CZ2 TRP A 95 -3.827 3.959 -7.889 1.00 0.00 C ATOM 1402 CZ3 TRP A 95 -2.002 5.475 -7.444 1.00 0.00 C ATOM 1403 CH2 TRP A 95 -3.299 5.221 -7.911 1.00 0.00 C ATOM 0 H TRP A 95 0.461 3.638 -4.044 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.603 0.872 -4.023 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.832 2.414 -6.220 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.523 0.690 -6.274 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.125 -0.073 -6.469 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.167 1.134 -7.503 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.213 4.664 -6.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.826 3.765 -8.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.614 6.482 -7.476 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.893 6.037 -8.296 1.00 0.00 H new ATOM 1414 N VAL A 96 1.512 0.083 -3.033 1.00 0.00 N ATOM 1415 CA VAL A 96 2.750 -0.455 -2.481 1.00 0.00 C ATOM 1416 C VAL A 96 3.017 -1.864 -3.000 1.00 0.00 C ATOM 1417 O VAL A 96 2.117 -2.704 -3.033 1.00 0.00 O ATOM 1418 CB VAL A 96 2.713 -0.484 -0.942 1.00 0.00 C ATOM 1419 CG1 VAL A 96 1.364 -0.986 -0.450 1.00 0.00 C ATOM 1420 CG2 VAL A 96 3.842 -1.347 -0.398 1.00 0.00 C ATOM 0 H VAL A 96 0.669 -0.409 -2.736 1.00 0.00 H new ATOM 0 HA VAL A 96 3.554 0.206 -2.804 1.00 0.00 H new ATOM 0 HB VAL A 96 2.853 0.532 -0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.356 -1.000 0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.576 -0.324 -0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.191 -1.994 -0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.801 -1.356 0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.736 -2.365 -0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.800 -0.939 -0.721 1.00 0.00 H new ATOM 1430 N ARG A 97 4.258 -2.115 -3.402 1.00 0.00 N ATOM 1431 CA ARG A 97 4.643 -3.423 -3.920 1.00 0.00 C ATOM 1432 C ARG A 97 5.949 -3.895 -3.288 1.00 0.00 C ATOM 1433 O ARG A 97 6.598 -3.152 -2.553 1.00 0.00 O ATOM 1434 CB ARG A 97 4.790 -3.369 -5.442 1.00 0.00 C ATOM 1435 CG ARG A 97 5.811 -2.349 -5.919 1.00 0.00 C ATOM 1436 CD ARG A 97 5.456 -1.809 -7.296 1.00 0.00 C ATOM 1437 NE ARG A 97 4.499 -0.709 -7.223 1.00 0.00 N ATOM 1438 CZ ARG A 97 4.261 0.126 -8.228 1.00 0.00 C ATOM 1439 NH1 ARG A 97 4.907 -0.014 -9.378 1.00 0.00 N ATOM 1440 NH2 ARG A 97 3.374 1.103 -8.085 1.00 0.00 N ATOM 0 H ARG A 97 5.014 -1.431 -3.379 1.00 0.00 H new ATOM 0 HA ARG A 97 3.858 -4.134 -3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 97 5.077 -4.355 -5.806 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.821 -3.135 -5.884 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.865 -1.526 -5.207 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.799 -2.808 -5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.362 -1.468 -7.796 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.039 -2.612 -7.904 1.00 0.00 H new ATOM 0 HE ARG A 97 3.985 -0.574 -6.352 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.588 -0.764 -9.492 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.722 0.629 -10.148 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.874 1.213 -7.203 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.192 1.744 -8.858 1.00 0.00 H new ATOM 1454 N ALA A 98 6.326 -5.135 -3.578 1.00 0.00 N ATOM 1455 CA ALA A 98 7.555 -5.706 -3.040 1.00 0.00 C ATOM 1456 C ALA A 98 8.482 -6.169 -4.159 1.00 0.00 C ATOM 1457 O ALA A 98 8.075 -6.920 -5.045 1.00 0.00 O ATOM 1458 CB ALA A 98 7.234 -6.863 -2.105 1.00 0.00 C ATOM 0 H ALA A 98 5.798 -5.764 -4.183 1.00 0.00 H new ATOM 0 HA ALA A 98 8.071 -4.929 -2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.161 -7.280 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.618 -6.504 -1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.693 -7.635 -2.653 1.00 0.00 H new ATOM 1464 N HIS A 99 9.730 -5.714 -4.113 1.00 0.00 N ATOM 1465 CA HIS A 99 10.716 -6.082 -5.123 1.00 0.00 C ATOM 1466 C HIS A 99 11.695 -7.116 -4.576 1.00 0.00 C ATOM 1467 O HIS A 99 12.079 -7.066 -3.407 1.00 0.00 O ATOM 1468 CB HIS A 99 11.476 -4.843 -5.599 1.00 0.00 C ATOM 1469 CG HIS A 99 10.655 -3.929 -6.455 1.00 0.00 C ATOM 1470 ND1 HIS A 99 9.677 -3.100 -5.948 1.00 0.00 N ATOM 1471 CD2 HIS A 99 10.672 -3.714 -7.792 1.00 0.00 C ATOM 1472 CE1 HIS A 99 9.126 -2.416 -6.936 1.00 0.00 C ATOM 1473 NE2 HIS A 99 9.713 -2.770 -8.065 1.00 0.00 N ATOM 0 H HIS A 99 10.083 -5.090 -3.387 1.00 0.00 H new ATOM 0 HA HIS A 99 10.187 -6.522 -5.969 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.833 -4.290 -4.730 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.356 -5.160 -6.159 1.00 0.00 H new ATOM 0 HD2 HIS A 99 11.319 -4.195 -8.510 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.331 -1.691 -6.837 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.490 -2.402 -8.990 1.00 0.00 H new ATOM 1482 N THR A 100 12.097 -8.053 -5.429 1.00 0.00 N ATOM 1483 CA THR A 100 13.029 -9.100 -5.031 1.00 0.00 C ATOM 1484 C THR A 100 14.254 -9.119 -5.939 1.00 0.00 C ATOM 1485 O THR A 100 14.273 -8.470 -6.985 1.00 0.00 O ATOM 1486 CB THR A 100 12.362 -10.488 -5.059 1.00 0.00 C ATOM 1487 OG1 THR A 100 11.353 -10.526 -6.074 1.00 0.00 O ATOM 1488 CG2 THR A 100 11.742 -10.817 -3.709 1.00 0.00 C ATOM 0 H THR A 100 11.791 -8.108 -6.401 1.00 0.00 H new ATOM 0 HA THR A 100 13.339 -8.875 -4.010 1.00 0.00 H new ATOM 0 HB THR A 100 13.128 -11.231 -5.281 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.471 -10.404 -5.664 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.277 -11.802 -3.753 1.00 0.00 H new ATOM 0 HG22 THR A 100 12.517 -10.815 -2.943 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.987 -10.070 -3.463 1.00 0.00 H new ATOM 1496 N ASP A 101 15.273 -9.868 -5.534 1.00 0.00 N ATOM 1497 CA ASP A 101 16.502 -9.974 -6.312 1.00 0.00 C ATOM 1498 C ASP A 101 16.257 -10.730 -7.614 1.00 0.00 C ATOM 1499 O ASP A 101 17.138 -10.816 -8.470 1.00 0.00 O ATOM 1500 CB ASP A 101 17.589 -10.676 -5.497 1.00 0.00 C ATOM 1501 CG ASP A 101 18.958 -10.560 -6.137 1.00 0.00 C ATOM 1502 OD1 ASP A 101 19.617 -9.516 -5.944 1.00 0.00 O ATOM 1503 OD2 ASP A 101 19.372 -11.513 -6.829 1.00 0.00 O ATOM 0 H ASP A 101 15.273 -10.411 -4.671 1.00 0.00 H new ATOM 0 HA ASP A 101 16.836 -8.966 -6.555 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.622 -10.247 -4.495 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.332 -11.729 -5.385 1.00 0.00 H new ATOM 1508 N VAL A 102 15.054 -11.278 -7.757 1.00 0.00 N ATOM 1509 CA VAL A 102 14.692 -12.027 -8.955 1.00 0.00 C ATOM 1510 C VAL A 102 13.960 -11.142 -9.957 1.00 0.00 C ATOM 1511 O VAL A 102 13.985 -11.396 -11.160 1.00 0.00 O ATOM 1512 CB VAL A 102 13.805 -13.238 -8.612 1.00 0.00 C ATOM 1513 CG1 VAL A 102 14.595 -14.275 -7.828 1.00 0.00 C ATOM 1514 CG2 VAL A 102 12.574 -12.794 -7.836 1.00 0.00 C ATOM 0 H VAL A 102 14.314 -11.217 -7.058 1.00 0.00 H new ATOM 0 HA VAL A 102 15.622 -12.381 -9.400 1.00 0.00 H new ATOM 0 HB VAL A 102 13.473 -13.698 -9.543 1.00 0.00 H new ATOM 0 HG11 VAL A 102 13.951 -15.123 -7.595 1.00 0.00 H new ATOM 0 HG12 VAL A 102 15.441 -14.615 -8.425 1.00 0.00 H new ATOM 0 HG13 VAL A 102 14.959 -13.831 -6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.959 -13.663 -7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.883 -12.308 -6.910 1.00 0.00 H new ATOM 0 HG23 VAL A 102 11.997 -12.093 -8.439 1.00 0.00 H new ATOM 1524 N GLY A 103 13.309 -10.098 -9.452 1.00 0.00 N ATOM 1525 CA GLY A 103 12.579 -9.190 -10.316 1.00 0.00 C ATOM 1526 C GLY A 103 11.535 -8.388 -9.565 1.00 0.00 C ATOM 1527 O GLY A 103 11.201 -8.684 -8.418 1.00 0.00 O ATOM 0 H GLY A 103 13.275 -9.865 -8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.280 -8.508 -10.796 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.094 -9.759 -11.109 1.00 0.00 H new ATOM 1531 N PRO A 104 11.002 -7.344 -10.218 1.00 0.00 N ATOM 1532 CA PRO A 104 9.982 -6.475 -9.623 1.00 0.00 C ATOM 1533 C PRO A 104 8.642 -7.183 -9.458 1.00 0.00 C ATOM 1534 O PRO A 104 8.426 -8.262 -10.008 1.00 0.00 O ATOM 1535 CB PRO A 104 9.862 -5.329 -10.630 1.00 0.00 C ATOM 1536 CG PRO A 104 10.297 -5.917 -11.928 1.00 0.00 C ATOM 1537 CD PRO A 104 11.352 -6.934 -11.588 1.00 0.00 C ATOM 0 HA PRO A 104 10.257 -6.151 -8.619 1.00 0.00 H new ATOM 0 HB2 PRO A 104 8.839 -4.958 -10.687 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.492 -4.486 -10.347 1.00 0.00 H new ATOM 0 HG2 PRO A 104 9.459 -6.382 -12.446 1.00 0.00 H new ATOM 0 HG3 PRO A 104 10.695 -5.149 -12.591 1.00 0.00 H new ATOM 0 HD2 PRO A 104 11.333 -7.778 -12.277 1.00 0.00 H new ATOM 0 HD3 PRO A 104 12.353 -6.506 -11.636 1.00 0.00 H new ATOM 1545 N GLY A 105 7.742 -6.566 -8.697 1.00 0.00 N ATOM 1546 CA GLY A 105 6.433 -7.152 -8.474 1.00 0.00 C ATOM 1547 C GLY A 105 5.306 -6.214 -8.854 1.00 0.00 C ATOM 1548 O GLY A 105 5.475 -4.995 -8.908 1.00 0.00 O ATOM 0 H GLY A 105 7.896 -5.672 -8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.347 -8.072 -9.053 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.335 -7.426 -7.424 1.00 0.00 H new ATOM 1552 N PRO A 106 4.123 -6.784 -9.128 1.00 0.00 N ATOM 1553 CA PRO A 106 2.940 -6.008 -9.512 1.00 0.00 C ATOM 1554 C PRO A 106 2.385 -5.185 -8.354 1.00 0.00 C ATOM 1555 O PRO A 106 2.616 -5.504 -7.188 1.00 0.00 O ATOM 1556 CB PRO A 106 1.934 -7.081 -9.935 1.00 0.00 C ATOM 1557 CG PRO A 106 2.351 -8.305 -9.196 1.00 0.00 C ATOM 1558 CD PRO A 106 3.849 -8.230 -9.084 1.00 0.00 C ATOM 0 HA PRO A 106 3.165 -5.283 -10.294 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.915 -6.791 -9.678 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.957 -7.242 -11.013 1.00 0.00 H new ATOM 0 HG2 PRO A 106 1.887 -8.343 -8.210 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.044 -9.206 -9.728 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.205 -8.678 -8.157 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.340 -8.757 -9.902 1.00 0.00 H new ATOM 1566 N GLU A 107 1.653 -4.126 -8.684 1.00 0.00 N ATOM 1567 CA GLU A 107 1.067 -3.258 -7.670 1.00 0.00 C ATOM 1568 C GLU A 107 0.124 -4.042 -6.762 1.00 0.00 C ATOM 1569 O GLU A 107 -0.341 -5.124 -7.118 1.00 0.00 O ATOM 1570 CB GLU A 107 0.312 -2.102 -8.330 1.00 0.00 C ATOM 1571 CG GLU A 107 1.214 -1.136 -9.081 1.00 0.00 C ATOM 1572 CD GLU A 107 1.820 -1.753 -10.327 1.00 0.00 C ATOM 1573 OE1 GLU A 107 1.197 -1.649 -11.404 1.00 0.00 O ATOM 1574 OE2 GLU A 107 2.918 -2.339 -10.224 1.00 0.00 O ATOM 0 H GLU A 107 1.452 -3.849 -9.645 1.00 0.00 H new ATOM 0 HA GLU A 107 1.877 -2.854 -7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.426 -2.509 -9.021 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.237 -1.553 -7.564 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.641 -0.252 -9.360 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.014 -0.802 -8.420 1.00 0.00 H new ATOM 1581 N SER A 108 -0.153 -3.487 -5.586 1.00 0.00 N ATOM 1582 CA SER A 108 -1.036 -4.136 -4.624 1.00 0.00 C ATOM 1583 C SER A 108 -2.392 -3.437 -4.574 1.00 0.00 C ATOM 1584 O SER A 108 -2.607 -2.427 -5.244 1.00 0.00 O ATOM 1585 CB SER A 108 -0.399 -4.136 -3.233 1.00 0.00 C ATOM 1586 OG SER A 108 -0.427 -2.840 -2.659 1.00 0.00 O ATOM 0 H SER A 108 0.221 -2.590 -5.277 1.00 0.00 H new ATOM 0 HA SER A 108 -1.188 -5.166 -4.946 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.930 -4.835 -2.587 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.631 -4.485 -3.301 1.00 0.00 H new ATOM 0 HG SER A 108 0.398 -2.363 -2.887 1.00 0.00 H new ATOM 1592 N SER A 109 -3.303 -3.983 -3.775 1.00 0.00 N ATOM 1593 CA SER A 109 -4.640 -3.416 -3.640 1.00 0.00 C ATOM 1594 C SER A 109 -4.573 -1.993 -3.094 1.00 0.00 C ATOM 1595 O SER A 109 -4.128 -1.752 -1.972 1.00 0.00 O ATOM 1596 CB SER A 109 -5.496 -4.288 -2.720 1.00 0.00 C ATOM 1597 OG SER A 109 -6.856 -3.893 -2.764 1.00 0.00 O ATOM 0 H SER A 109 -3.140 -4.817 -3.211 1.00 0.00 H new ATOM 0 HA SER A 109 -5.097 -3.386 -4.629 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.408 -5.333 -3.018 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.126 -4.216 -1.697 1.00 0.00 H new ATOM 0 HG SER A 109 -7.383 -4.467 -2.169 1.00 0.00 H new ATOM 1603 N PRO A 110 -5.026 -1.027 -3.906 1.00 0.00 N ATOM 1604 CA PRO A 110 -5.029 0.389 -3.527 1.00 0.00 C ATOM 1605 C PRO A 110 -6.048 0.694 -2.435 1.00 0.00 C ATOM 1606 O PRO A 110 -7.190 0.237 -2.491 1.00 0.00 O ATOM 1607 CB PRO A 110 -5.408 1.104 -4.827 1.00 0.00 C ATOM 1608 CG PRO A 110 -6.173 0.091 -5.607 1.00 0.00 C ATOM 1609 CD PRO A 110 -5.570 -1.242 -5.257 1.00 0.00 C ATOM 0 HA PRO A 110 -4.069 0.703 -3.116 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.011 1.990 -4.630 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.522 1.435 -5.369 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.232 0.120 -5.351 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.098 0.284 -6.677 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.317 -2.036 -5.268 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.790 -1.528 -5.963 1.00 0.00 H new ATOM 1617 N VAL A 111 -5.629 1.471 -1.440 1.00 0.00 N ATOM 1618 CA VAL A 111 -6.506 1.839 -0.335 1.00 0.00 C ATOM 1619 C VAL A 111 -6.867 3.319 -0.389 1.00 0.00 C ATOM 1620 O VAL A 111 -5.994 4.185 -0.323 1.00 0.00 O ATOM 1621 CB VAL A 111 -5.854 1.529 1.025 1.00 0.00 C ATOM 1622 CG1 VAL A 111 -6.755 1.983 2.164 1.00 0.00 C ATOM 1623 CG2 VAL A 111 -5.542 0.045 1.141 1.00 0.00 C ATOM 0 H VAL A 111 -4.687 1.858 -1.377 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.413 1.244 -0.439 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.916 2.080 1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.278 1.756 3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -6.923 3.057 2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.710 1.461 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.082 -0.155 2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.464 -0.529 1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.856 -0.246 0.346 1.00 0.00 H new ATOM 1633 N LEU A 112 -8.159 3.603 -0.510 1.00 0.00 N ATOM 1634 CA LEU A 112 -8.637 4.980 -0.572 1.00 0.00 C ATOM 1635 C LEU A 112 -8.705 5.596 0.822 1.00 0.00 C ATOM 1636 O LEU A 112 -9.485 5.160 1.668 1.00 0.00 O ATOM 1637 CB LEU A 112 -10.015 5.033 -1.233 1.00 0.00 C ATOM 1638 CG LEU A 112 -10.156 4.276 -2.554 1.00 0.00 C ATOM 1639 CD1 LEU A 112 -11.608 4.254 -3.005 1.00 0.00 C ATOM 1640 CD2 LEU A 112 -9.273 4.903 -3.624 1.00 0.00 C ATOM 0 H LEU A 112 -8.894 2.898 -0.567 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.932 5.557 -1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.748 4.637 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.272 6.078 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.830 3.248 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.688 3.711 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.217 3.760 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.961 5.276 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.386 4.352 -4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.569 5.941 -3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.232 4.866 -3.304 1.00 0.00 H new ATOM 1652 N VAL A 113 -7.883 6.615 1.053 1.00 0.00 N ATOM 1653 CA VAL A 113 -7.852 7.295 2.343 1.00 0.00 C ATOM 1654 C VAL A 113 -8.125 8.786 2.186 1.00 0.00 C ATOM 1655 O VAL A 113 -7.550 9.445 1.319 1.00 0.00 O ATOM 1656 CB VAL A 113 -6.494 7.104 3.045 1.00 0.00 C ATOM 1657 CG1 VAL A 113 -6.294 5.647 3.435 1.00 0.00 C ATOM 1658 CG2 VAL A 113 -5.361 7.586 2.152 1.00 0.00 C ATOM 0 H VAL A 113 -7.230 6.988 0.364 1.00 0.00 H new ATOM 0 HA VAL A 113 -8.636 6.848 2.955 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.488 7.703 3.956 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.329 5.532 3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.089 5.340 4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.320 5.024 2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.409 7.444 2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.362 7.016 1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.498 8.644 1.929 1.00 0.00 H new ATOM 1668 N ARG A 114 -9.007 9.312 3.029 1.00 0.00 N ATOM 1669 CA ARG A 114 -9.358 10.727 2.983 1.00 0.00 C ATOM 1670 C ARG A 114 -8.686 11.491 4.120 1.00 0.00 C ATOM 1671 O ARG A 114 -9.054 11.343 5.286 1.00 0.00 O ATOM 1672 CB ARG A 114 -10.876 10.901 3.065 1.00 0.00 C ATOM 1673 CG ARG A 114 -11.313 12.341 3.275 1.00 0.00 C ATOM 1674 CD ARG A 114 -12.683 12.417 3.932 1.00 0.00 C ATOM 1675 NE ARG A 114 -12.590 12.453 5.389 1.00 0.00 N ATOM 1676 CZ ARG A 114 -13.622 12.238 6.196 1.00 0.00 C ATOM 1677 NH1 ARG A 114 -14.819 11.973 5.692 1.00 0.00 N ATOM 1678 NH2 ARG A 114 -13.458 12.288 7.512 1.00 0.00 N ATOM 0 H ARG A 114 -9.492 8.780 3.752 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.003 11.133 2.036 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.327 10.524 2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -11.260 10.291 3.883 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.581 12.858 3.896 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -11.339 12.858 2.316 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -13.205 13.307 3.580 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -13.279 11.557 3.628 1.00 0.00 H new ATOM 0 HE ARG A 114 -11.683 12.654 5.809 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -14.949 11.934 4.681 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -15.610 11.808 6.315 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -12.539 12.492 7.904 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -14.251 12.123 8.131 1.00 0.00 H new ATOM 1692 N THR A 115 -7.697 12.309 3.773 1.00 0.00 N ATOM 1693 CA THR A 115 -6.971 13.094 4.763 1.00 0.00 C ATOM 1694 C THR A 115 -7.924 13.950 5.591 1.00 0.00 C ATOM 1695 O THR A 115 -9.046 14.231 5.170 1.00 0.00 O ATOM 1696 CB THR A 115 -5.925 14.009 4.098 1.00 0.00 C ATOM 1697 OG1 THR A 115 -6.503 14.674 2.969 1.00 0.00 O ATOM 1698 CG2 THR A 115 -4.711 13.208 3.654 1.00 0.00 C ATOM 0 H THR A 115 -7.381 12.445 2.813 1.00 0.00 H new ATOM 0 HA THR A 115 -6.461 12.386 5.416 1.00 0.00 H new ATOM 0 HB THR A 115 -5.604 14.750 4.830 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.887 15.364 2.645 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.986 13.875 3.187 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.256 12.726 4.520 1.00 0.00 H new ATOM 0 HG23 THR A 115 -5.019 12.448 2.936 1.00 0.00 H new ATOM 1706 N ASP A 116 -7.469 14.360 6.770 1.00 0.00 N ATOM 1707 CA ASP A 116 -8.281 15.185 7.657 1.00 0.00 C ATOM 1708 C ASP A 116 -8.880 16.368 6.902 1.00 0.00 C ATOM 1709 O ASP A 116 -8.388 16.753 5.842 1.00 0.00 O ATOM 1710 CB ASP A 116 -7.441 15.687 8.832 1.00 0.00 C ATOM 1711 CG ASP A 116 -8.266 15.892 10.088 1.00 0.00 C ATOM 1712 OD1 ASP A 116 -8.987 14.953 10.483 1.00 0.00 O ATOM 1713 OD2 ASP A 116 -8.190 16.992 10.675 1.00 0.00 O ATOM 0 H ASP A 116 -6.543 14.135 7.133 1.00 0.00 H new ATOM 0 HA ASP A 116 -9.096 14.571 8.039 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.644 14.972 9.037 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -6.963 16.627 8.557 1.00 0.00 H new ATOM 1718 N GLU A 117 -9.946 16.938 7.455 1.00 0.00 N ATOM 1719 CA GLU A 117 -10.612 18.076 6.832 1.00 0.00 C ATOM 1720 C GLU A 117 -10.148 19.388 7.458 1.00 0.00 C ATOM 1721 O GLU A 117 -9.844 19.447 8.649 1.00 0.00 O ATOM 1722 CB GLU A 117 -12.131 17.942 6.968 1.00 0.00 C ATOM 1723 CG GLU A 117 -12.689 18.592 8.223 1.00 0.00 C ATOM 1724 CD GLU A 117 -13.949 17.912 8.721 1.00 0.00 C ATOM 1725 OE1 GLU A 117 -14.186 16.747 8.335 1.00 0.00 O ATOM 1726 OE2 GLU A 117 -14.699 18.543 9.495 1.00 0.00 O ATOM 0 H GLU A 117 -10.367 16.631 8.332 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.348 18.085 5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.606 18.389 6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.396 16.885 6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.933 18.567 9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.903 19.641 8.020 1.00 0.00 H new ATOM 1733 N ASP A 118 -10.095 20.438 6.645 1.00 0.00 N ATOM 1734 CA ASP A 118 -9.669 21.750 7.117 1.00 0.00 C ATOM 1735 C ASP A 118 -10.869 22.595 7.533 1.00 0.00 C ATOM 1736 O ASP A 118 -10.908 23.136 8.637 1.00 0.00 O ATOM 1737 CB ASP A 118 -8.872 22.473 6.030 1.00 0.00 C ATOM 1738 CG ASP A 118 -8.323 23.804 6.504 1.00 0.00 C ATOM 1739 OD1 ASP A 118 -9.106 24.608 7.049 1.00 0.00 O ATOM 1740 OD2 ASP A 118 -7.109 24.041 6.327 1.00 0.00 O ATOM 0 H ASP A 118 -10.342 20.406 5.656 1.00 0.00 H new ATOM 0 HA ASP A 118 -9.031 21.605 7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -8.048 21.838 5.705 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -9.511 22.635 5.162 1.00 0.00 H new ATOM 1745 N VAL A 119 -11.847 22.703 6.639 1.00 0.00 N ATOM 1746 CA VAL A 119 -13.049 23.482 6.912 1.00 0.00 C ATOM 1747 C VAL A 119 -13.793 22.937 8.126 1.00 0.00 C ATOM 1748 O VAL A 119 -13.756 21.743 8.423 1.00 0.00 O ATOM 1749 CB VAL A 119 -14.000 23.490 5.701 1.00 0.00 C ATOM 1750 CG1 VAL A 119 -13.331 24.139 4.499 1.00 0.00 C ATOM 1751 CG2 VAL A 119 -14.452 22.075 5.370 1.00 0.00 C ATOM 0 H VAL A 119 -11.830 22.261 5.720 1.00 0.00 H new ATOM 0 HA VAL A 119 -12.725 24.503 7.116 1.00 0.00 H new ATOM 0 HB VAL A 119 -14.881 24.079 5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -14.019 24.135 3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -13.062 25.167 4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -12.432 23.581 4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -15.124 22.099 4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -13.583 21.461 5.134 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -14.974 21.650 6.227 1.00 0.00 H new ATOM 1761 N PRO A 120 -14.488 23.831 8.845 1.00 0.00 N ATOM 1762 CA PRO A 120 -15.256 23.462 10.038 1.00 0.00 C ATOM 1763 C PRO A 120 -16.488 22.631 9.700 1.00 0.00 C ATOM 1764 O PRO A 120 -17.278 22.288 10.580 1.00 0.00 O ATOM 1765 CB PRO A 120 -15.668 24.814 10.626 1.00 0.00 C ATOM 1766 CG PRO A 120 -15.669 25.748 9.466 1.00 0.00 C ATOM 1767 CD PRO A 120 -14.577 25.271 8.549 1.00 0.00 C ATOM 0 HA PRO A 120 -14.675 22.843 10.722 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -16.652 24.760 11.091 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -14.969 25.140 11.396 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -16.634 25.741 8.960 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -15.487 26.773 9.790 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -14.823 25.452 7.503 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -13.634 25.781 8.747 1.00 0.00 H new ATOM 1775 N SER A 121 -16.647 22.309 8.420 1.00 0.00 N ATOM 1776 CA SER A 121 -17.786 21.520 7.965 1.00 0.00 C ATOM 1777 C SER A 121 -17.469 20.028 8.019 1.00 0.00 C ATOM 1778 O SER A 121 -16.527 19.559 7.383 1.00 0.00 O ATOM 1779 CB SER A 121 -18.173 21.919 6.540 1.00 0.00 C ATOM 1780 OG SER A 121 -19.479 21.469 6.222 1.00 0.00 O ATOM 0 H SER A 121 -16.001 22.583 7.679 1.00 0.00 H new ATOM 0 HA SER A 121 -18.625 21.720 8.631 1.00 0.00 H new ATOM 0 HB2 SER A 121 -18.123 23.003 6.436 1.00 0.00 H new ATOM 0 HB3 SER A 121 -17.458 21.498 5.834 1.00 0.00 H new ATOM 0 HG SER A 121 -19.704 21.738 5.307 1.00 0.00 H new ATOM 1786 N GLY A 122 -18.265 19.288 8.785 1.00 0.00 N ATOM 1787 CA GLY A 122 -18.055 17.858 8.909 1.00 0.00 C ATOM 1788 C GLY A 122 -18.686 17.078 7.773 1.00 0.00 C ATOM 1789 O GLY A 122 -19.614 17.544 7.112 1.00 0.00 O ATOM 0 H GLY A 122 -19.051 19.654 9.322 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -16.985 17.652 8.936 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -18.470 17.514 9.856 1.00 0.00 H new ATOM 1793 N PRO A 123 -18.178 15.860 7.531 1.00 0.00 N ATOM 1794 CA PRO A 123 -18.682 14.989 6.466 1.00 0.00 C ATOM 1795 C PRO A 123 -20.078 14.454 6.767 1.00 0.00 C ATOM 1796 O PRO A 123 -20.579 14.555 7.886 1.00 0.00 O ATOM 1797 CB PRO A 123 -17.666 13.845 6.432 1.00 0.00 C ATOM 1798 CG PRO A 123 -17.085 13.814 7.804 1.00 0.00 C ATOM 1799 CD PRO A 123 -17.071 15.241 8.280 1.00 0.00 C ATOM 0 HA PRO A 123 -18.779 15.518 5.518 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -18.144 12.898 6.183 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -16.897 14.021 5.680 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -17.682 13.187 8.467 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -16.078 13.397 7.792 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -17.227 15.307 9.357 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -16.119 15.727 8.066 1.00 0.00 H new ATOM 1807 N PRO A 124 -20.722 13.870 5.745 1.00 0.00 N ATOM 1808 CA PRO A 124 -22.068 13.306 5.877 1.00 0.00 C ATOM 1809 C PRO A 124 -22.088 12.047 6.737 1.00 0.00 C ATOM 1810 O PRO A 124 -21.052 11.421 6.961 1.00 0.00 O ATOM 1811 CB PRO A 124 -22.456 12.974 4.434 1.00 0.00 C ATOM 1812 CG PRO A 124 -21.159 12.775 3.729 1.00 0.00 C ATOM 1813 CD PRO A 124 -20.184 13.714 4.383 1.00 0.00 C ATOM 0 HA PRO A 124 -22.753 13.997 6.369 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -23.074 12.077 4.387 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -23.032 13.782 3.983 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -20.823 11.742 3.815 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -21.256 12.992 2.665 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -19.175 13.302 4.394 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -20.133 14.669 3.859 1.00 0.00 H new ATOM 1821 N ARG A 125 -23.273 11.682 7.216 1.00 0.00 N ATOM 1822 CA ARG A 125 -23.426 10.498 8.053 1.00 0.00 C ATOM 1823 C ARG A 125 -24.431 9.526 7.440 1.00 0.00 C ATOM 1824 O ARG A 125 -25.643 9.710 7.562 1.00 0.00 O ATOM 1825 CB ARG A 125 -23.878 10.896 9.459 1.00 0.00 C ATOM 1826 CG ARG A 125 -24.053 9.715 10.399 1.00 0.00 C ATOM 1827 CD ARG A 125 -24.100 10.162 11.852 1.00 0.00 C ATOM 1828 NE ARG A 125 -25.379 10.779 12.194 1.00 0.00 N ATOM 1829 CZ ARG A 125 -26.496 10.091 12.397 1.00 0.00 C ATOM 1830 NH1 ARG A 125 -26.493 8.769 12.294 1.00 0.00 N ATOM 1831 NH2 ARG A 125 -27.621 10.725 12.705 1.00 0.00 N ATOM 0 H ARG A 125 -24.140 12.189 7.039 1.00 0.00 H new ATOM 0 HA ARG A 125 -22.458 10.001 8.117 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -23.148 11.584 9.885 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -24.822 11.437 9.389 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -24.972 9.184 10.151 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -23.231 9.013 10.260 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -23.927 9.304 12.501 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -23.294 10.871 12.039 1.00 0.00 H new ATOM 0 HE ARG A 125 -25.416 11.795 12.282 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -25.631 8.278 12.058 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -27.353 8.243 12.451 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -27.628 11.742 12.786 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -28.479 10.195 12.861 1.00 0.00 H new ATOM 1845 N LYS A 126 -23.920 8.492 6.781 1.00 0.00 N ATOM 1846 CA LYS A 126 -24.771 7.490 6.150 1.00 0.00 C ATOM 1847 C LYS A 126 -24.896 6.250 7.029 1.00 0.00 C ATOM 1848 O LYS A 126 -23.931 5.507 7.212 1.00 0.00 O ATOM 1849 CB LYS A 126 -24.208 7.103 4.780 1.00 0.00 C ATOM 1850 CG LYS A 126 -25.266 6.620 3.803 1.00 0.00 C ATOM 1851 CD LYS A 126 -25.473 5.118 3.902 1.00 0.00 C ATOM 1852 CE LYS A 126 -26.201 4.574 2.683 1.00 0.00 C ATOM 1853 NZ LYS A 126 -27.671 4.798 2.770 1.00 0.00 N ATOM 0 H LYS A 126 -22.920 8.326 6.670 1.00 0.00 H new ATOM 0 HA LYS A 126 -25.763 7.922 6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -23.695 7.964 4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -23.462 6.320 4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -26.207 7.132 4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -24.970 6.881 2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -24.507 4.622 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -26.044 4.887 4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -25.813 5.053 1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -26.001 3.507 2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -28.132 4.413 1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -28.046 4.319 3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -27.863 5.818 2.836 1.00 0.00 H new ATOM 1867 N VAL A 127 -26.090 6.031 7.570 1.00 0.00 N ATOM 1868 CA VAL A 127 -26.341 4.879 8.428 1.00 0.00 C ATOM 1869 C VAL A 127 -26.635 3.632 7.601 1.00 0.00 C ATOM 1870 O VAL A 127 -27.039 3.725 6.442 1.00 0.00 O ATOM 1871 CB VAL A 127 -27.520 5.138 9.384 1.00 0.00 C ATOM 1872 CG1 VAL A 127 -28.761 5.544 8.603 1.00 0.00 C ATOM 1873 CG2 VAL A 127 -27.796 3.907 10.235 1.00 0.00 C ATOM 0 H VAL A 127 -26.899 6.636 7.429 1.00 0.00 H new ATOM 0 HA VAL A 127 -25.437 4.717 9.014 1.00 0.00 H new ATOM 0 HB VAL A 127 -27.252 5.959 10.049 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -29.584 5.723 9.295 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -28.555 6.455 8.041 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -29.034 4.746 7.913 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -28.632 4.108 10.905 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -28.043 3.065 9.588 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -26.910 3.665 10.823 1.00 0.00 H new ATOM 1883 N GLU A 128 -26.429 2.466 8.205 1.00 0.00 N ATOM 1884 CA GLU A 128 -26.672 1.200 7.524 1.00 0.00 C ATOM 1885 C GLU A 128 -26.507 0.025 8.484 1.00 0.00 C ATOM 1886 O GLU A 128 -25.646 0.045 9.363 1.00 0.00 O ATOM 1887 CB GLU A 128 -25.719 1.042 6.338 1.00 0.00 C ATOM 1888 CG GLU A 128 -26.012 -0.176 5.479 1.00 0.00 C ATOM 1889 CD GLU A 128 -24.814 -0.613 4.658 1.00 0.00 C ATOM 1890 OE1 GLU A 128 -24.308 0.206 3.864 1.00 0.00 O ATOM 1891 OE2 GLU A 128 -24.384 -1.776 4.811 1.00 0.00 O ATOM 0 H GLU A 128 -26.095 2.372 9.164 1.00 0.00 H new ATOM 0 HA GLU A 128 -27.698 1.205 7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -25.775 1.936 5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -24.697 0.976 6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -26.329 -0.999 6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -26.844 0.047 4.811 1.00 0.00 H new ATOM 1898 N SER A 129 -27.339 -0.997 8.308 1.00 0.00 N ATOM 1899 CA SER A 129 -27.288 -2.179 9.160 1.00 0.00 C ATOM 1900 C SER A 129 -26.308 -3.207 8.605 1.00 0.00 C ATOM 1901 O SER A 129 -26.155 -3.345 7.392 1.00 0.00 O ATOM 1902 CB SER A 129 -28.680 -2.801 9.287 1.00 0.00 C ATOM 1903 OG SER A 129 -29.005 -3.564 8.138 1.00 0.00 O ATOM 0 H SER A 129 -28.056 -1.030 7.583 1.00 0.00 H new ATOM 0 HA SER A 129 -26.943 -1.871 10.147 1.00 0.00 H new ATOM 0 HB2 SER A 129 -28.718 -3.436 10.172 1.00 0.00 H new ATOM 0 HB3 SER A 129 -29.422 -2.015 9.427 1.00 0.00 H new ATOM 0 HG SER A 129 -29.899 -3.952 8.245 1.00 0.00 H new ATOM 1909 N GLY A 130 -25.644 -3.928 9.504 1.00 0.00 N ATOM 1910 CA GLY A 130 -24.686 -4.935 9.087 1.00 0.00 C ATOM 1911 C GLY A 130 -25.234 -6.343 9.209 1.00 0.00 C ATOM 1912 O GLY A 130 -25.743 -6.745 10.256 1.00 0.00 O ATOM 0 H GLY A 130 -25.753 -3.832 10.514 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -24.396 -4.750 8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -23.784 -4.846 9.692 1.00 0.00 H new ATOM 1916 N PRO A 131 -25.134 -7.118 8.120 1.00 0.00 N ATOM 1917 CA PRO A 131 -25.619 -8.501 8.084 1.00 0.00 C ATOM 1918 C PRO A 131 -24.774 -9.434 8.946 1.00 0.00 C ATOM 1919 O PRO A 131 -23.873 -8.991 9.658 1.00 0.00 O ATOM 1920 CB PRO A 131 -25.498 -8.882 6.607 1.00 0.00 C ATOM 1921 CG PRO A 131 -24.427 -7.995 6.073 1.00 0.00 C ATOM 1922 CD PRO A 131 -24.538 -6.705 6.838 1.00 0.00 C ATOM 0 HA PRO A 131 -26.631 -8.588 8.479 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -25.236 -9.934 6.490 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -26.439 -8.727 6.080 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -23.444 -8.446 6.208 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -24.556 -7.827 5.004 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -23.564 -6.237 6.980 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -25.166 -5.982 6.317 1.00 0.00 H new ATOM 1930 N SER A 132 -25.071 -10.728 8.875 1.00 0.00 N ATOM 1931 CA SER A 132 -24.341 -11.723 9.651 1.00 0.00 C ATOM 1932 C SER A 132 -23.081 -12.168 8.915 1.00 0.00 C ATOM 1933 O SER A 132 -23.155 -12.788 7.855 1.00 0.00 O ATOM 1934 CB SER A 132 -25.233 -12.933 9.937 1.00 0.00 C ATOM 1935 OG SER A 132 -25.646 -13.557 8.734 1.00 0.00 O ATOM 0 H SER A 132 -25.812 -11.111 8.288 1.00 0.00 H new ATOM 0 HA SER A 132 -24.047 -11.267 10.596 1.00 0.00 H new ATOM 0 HB2 SER A 132 -24.692 -13.650 10.555 1.00 0.00 H new ATOM 0 HB3 SER A 132 -26.108 -12.618 10.506 1.00 0.00 H new ATOM 0 HG SER A 132 -24.931 -13.487 8.067 1.00 0.00 H new ATOM 1941 N SER A 133 -21.925 -11.847 9.487 1.00 0.00 N ATOM 1942 CA SER A 133 -20.647 -12.209 8.884 1.00 0.00 C ATOM 1943 C SER A 133 -19.864 -13.149 9.796 1.00 0.00 C ATOM 1944 O SER A 133 -20.069 -13.170 11.009 1.00 0.00 O ATOM 1945 CB SER A 133 -19.821 -10.955 8.596 1.00 0.00 C ATOM 1946 OG SER A 133 -18.879 -11.191 7.564 1.00 0.00 O ATOM 0 H SER A 133 -21.847 -11.337 10.367 1.00 0.00 H new ATOM 0 HA SER A 133 -20.849 -12.725 7.945 1.00 0.00 H new ATOM 0 HB2 SER A 133 -20.483 -10.138 8.309 1.00 0.00 H new ATOM 0 HB3 SER A 133 -19.302 -10.642 9.502 1.00 0.00 H new ATOM 0 HG SER A 133 -18.365 -10.374 7.397 1.00 0.00 H new ATOM 1952 N GLY A 134 -18.964 -13.927 9.201 1.00 0.00 N ATOM 1953 CA GLY A 134 -18.163 -14.859 9.974 1.00 0.00 C ATOM 1954 C GLY A 134 -19.000 -15.942 10.624 1.00 0.00 C ATOM 1955 O GLY A 134 -20.007 -15.653 11.272 1.00 0.00 O ATOM 0 H GLY A 134 -18.776 -13.928 8.199 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -17.419 -15.320 9.324 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -17.619 -14.313 10.745 1.00 0.00 H new TER 1959 GLY A 134