USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 618 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 78 SER OG : rot 180:sc= -0.114 USER MOD Set 1.2: A 79 SER OG : rot 36:sc= 0.0622 USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.013 (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 SER OG : rot 16:sc= 1.53 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.00078) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.486 USER MOD Single : A 28 GLN : amide:sc= -6.64! C(o=-6.6!,f=-7.7!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -144:sc= -7.03! (180deg=-11.9!) USER MOD Single : A 44 GLN : amide:sc=-0.00981 X(o=-0.0098,f=-0.039) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 55 CYS SG : rot -94:sc= 0.394 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot -94:sc= 0.881 USER MOD Single : A 63 GLN : amide:sc= -0.804 X(o=-0.8,f=-0.35) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.53) USER MOD Single : A 72 ASN : amide:sc= 0.846 K(o=0.85,f=-0.068) USER MOD Single : A 73 LYS NZ :NH3+ 138:sc= 0.0337 (180deg=-0.156) USER MOD Single : A 74 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.43) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.809 -40.305 -5.001 1.00 0.00 N ATOM 2 CA GLY A 1 -15.363 -38.991 -4.573 1.00 0.00 C ATOM 3 C GLY A 1 -16.544 -38.029 -4.433 1.00 0.00 C ATOM 4 O GLY A 1 -17.604 -38.409 -3.938 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.324 -41.035 -4.442 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.836 -40.386 -4.860 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.587 -40.436 -6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.841 -39.073 -3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.649 -38.593 -5.294 1.00 0.00 H new ATOM 8 N SER A 2 -16.322 -36.801 -4.878 1.00 0.00 N ATOM 9 CA SER A 2 -17.355 -35.781 -4.809 1.00 0.00 C ATOM 10 C SER A 2 -16.959 -34.576 -5.665 1.00 0.00 C ATOM 11 O SER A 2 -15.797 -34.176 -5.679 1.00 0.00 O ATOM 12 CB SER A 2 -17.604 -35.346 -3.363 1.00 0.00 C ATOM 13 OG SER A 2 -16.391 -35.027 -2.685 1.00 0.00 O ATOM 0 H SER A 2 -15.442 -36.489 -5.288 1.00 0.00 H new ATOM 0 HA SER A 2 -18.281 -36.205 -5.197 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.263 -34.478 -3.354 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.119 -36.144 -2.828 1.00 0.00 H new ATOM 0 HG SER A 2 -16.592 -34.752 -1.766 1.00 0.00 H new ATOM 19 N SER A 3 -17.949 -34.033 -6.357 1.00 0.00 N ATOM 20 CA SER A 3 -17.719 -32.882 -7.214 1.00 0.00 C ATOM 21 C SER A 3 -16.694 -33.231 -8.295 1.00 0.00 C ATOM 22 O SER A 3 -15.837 -34.088 -8.089 1.00 0.00 O ATOM 23 CB SER A 3 -17.244 -31.676 -6.401 1.00 0.00 C ATOM 24 OG SER A 3 -18.333 -30.928 -5.868 1.00 0.00 O ATOM 0 H SER A 3 -18.912 -34.368 -6.342 1.00 0.00 H new ATOM 0 HA SER A 3 -18.663 -32.616 -7.690 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.606 -32.017 -5.586 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.636 -31.030 -7.033 1.00 0.00 H new ATOM 0 HG SER A 3 -17.988 -30.168 -5.355 1.00 0.00 H new ATOM 30 N GLY A 4 -16.817 -32.548 -9.424 1.00 0.00 N ATOM 31 CA GLY A 4 -15.912 -32.775 -10.538 1.00 0.00 C ATOM 32 C GLY A 4 -14.455 -32.611 -10.103 1.00 0.00 C ATOM 33 O GLY A 4 -13.858 -33.538 -9.557 1.00 0.00 O ATOM 0 H GLY A 4 -17.529 -31.837 -9.591 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.065 -33.778 -10.937 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.136 -32.074 -11.342 1.00 0.00 H new ATOM 37 N SER A 5 -13.924 -31.425 -10.360 1.00 0.00 N ATOM 38 CA SER A 5 -12.548 -31.127 -10.001 1.00 0.00 C ATOM 39 C SER A 5 -12.475 -29.782 -9.276 1.00 0.00 C ATOM 40 O SER A 5 -12.212 -28.752 -9.895 1.00 0.00 O ATOM 41 CB SER A 5 -11.647 -31.113 -11.238 1.00 0.00 C ATOM 42 OG SER A 5 -10.774 -32.239 -11.276 1.00 0.00 O ATOM 0 H SER A 5 -14.422 -30.659 -10.813 1.00 0.00 H new ATOM 0 HA SER A 5 -12.191 -31.911 -9.334 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.265 -31.103 -12.136 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.057 -30.197 -11.246 1.00 0.00 H new ATOM 0 HG SER A 5 -10.217 -32.194 -12.081 1.00 0.00 H new ATOM 48 N SER A 6 -12.713 -29.834 -7.974 1.00 0.00 N ATOM 49 CA SER A 6 -12.678 -28.633 -7.158 1.00 0.00 C ATOM 50 C SER A 6 -13.485 -27.520 -7.829 1.00 0.00 C ATOM 51 O SER A 6 -12.953 -26.767 -8.644 1.00 0.00 O ATOM 52 CB SER A 6 -11.239 -28.173 -6.916 1.00 0.00 C ATOM 53 OG SER A 6 -10.808 -28.444 -5.585 1.00 0.00 O ATOM 0 H SER A 6 -12.931 -30.690 -7.464 1.00 0.00 H new ATOM 0 HA SER A 6 -13.125 -28.864 -6.191 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.575 -28.674 -7.621 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.163 -27.103 -7.111 1.00 0.00 H new ATOM 0 HG SER A 6 -9.884 -28.137 -5.471 1.00 0.00 H new ATOM 59 N GLY A 7 -14.757 -27.452 -7.464 1.00 0.00 N ATOM 60 CA GLY A 7 -15.643 -26.444 -8.021 1.00 0.00 C ATOM 61 C GLY A 7 -15.551 -26.417 -9.548 1.00 0.00 C ATOM 62 O GLY A 7 -15.930 -27.380 -10.213 1.00 0.00 O ATOM 0 H GLY A 7 -15.195 -28.079 -6.789 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.670 -26.650 -7.719 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.383 -25.464 -7.620 1.00 0.00 H new ATOM 66 N SER A 8 -15.046 -25.304 -10.059 1.00 0.00 N ATOM 67 CA SER A 8 -14.900 -25.138 -11.495 1.00 0.00 C ATOM 68 C SER A 8 -16.186 -25.566 -12.205 1.00 0.00 C ATOM 69 O SER A 8 -16.341 -26.731 -12.568 1.00 0.00 O ATOM 70 CB SER A 8 -13.710 -25.942 -12.023 1.00 0.00 C ATOM 71 OG SER A 8 -13.899 -27.345 -11.863 1.00 0.00 O ATOM 0 H SER A 8 -14.733 -24.508 -9.504 1.00 0.00 H new ATOM 0 HA SER A 8 -14.713 -24.084 -11.700 1.00 0.00 H new ATOM 0 HB2 SER A 8 -13.559 -25.715 -13.078 1.00 0.00 H new ATOM 0 HB3 SER A 8 -12.805 -25.636 -11.498 1.00 0.00 H new ATOM 0 HG SER A 8 -14.844 -27.529 -11.681 1.00 0.00 H new ATOM 77 N SER A 9 -17.076 -24.601 -12.381 1.00 0.00 N ATOM 78 CA SER A 9 -18.344 -24.863 -13.041 1.00 0.00 C ATOM 79 C SER A 9 -19.098 -23.551 -13.266 1.00 0.00 C ATOM 80 O SER A 9 -19.420 -23.203 -14.401 1.00 0.00 O ATOM 81 CB SER A 9 -19.199 -25.834 -12.224 1.00 0.00 C ATOM 82 OG SER A 9 -20.097 -26.575 -13.045 1.00 0.00 O ATOM 0 H SER A 9 -16.944 -23.636 -12.078 1.00 0.00 H new ATOM 0 HA SER A 9 -18.138 -25.326 -14.006 1.00 0.00 H new ATOM 0 HB2 SER A 9 -18.549 -26.523 -11.684 1.00 0.00 H new ATOM 0 HB3 SER A 9 -19.766 -25.278 -11.477 1.00 0.00 H new ATOM 0 HG SER A 9 -20.623 -27.185 -12.487 1.00 0.00 H new ATOM 88 N ALA A 10 -19.357 -22.859 -12.166 1.00 0.00 N ATOM 89 CA ALA A 10 -20.067 -21.593 -12.229 1.00 0.00 C ATOM 90 C ALA A 10 -19.846 -20.823 -10.926 1.00 0.00 C ATOM 91 O ALA A 10 -20.607 -20.978 -9.972 1.00 0.00 O ATOM 92 CB ALA A 10 -21.549 -21.852 -12.509 1.00 0.00 C ATOM 0 H ALA A 10 -19.088 -23.151 -11.226 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.684 -20.979 -13.044 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -22.082 -20.902 -12.556 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -21.654 -22.375 -13.460 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -21.969 -22.464 -11.711 1.00 0.00 H new ATOM 98 N GLU A 11 -18.800 -20.010 -10.926 1.00 0.00 N ATOM 99 CA GLU A 11 -18.468 -19.216 -9.756 1.00 0.00 C ATOM 100 C GLU A 11 -18.142 -20.127 -8.571 1.00 0.00 C ATOM 101 O GLU A 11 -18.407 -21.328 -8.615 1.00 0.00 O ATOM 102 CB GLU A 11 -19.604 -18.251 -9.408 1.00 0.00 C ATOM 103 CG GLU A 11 -19.175 -16.798 -9.630 1.00 0.00 C ATOM 104 CD GLU A 11 -20.380 -15.917 -9.967 1.00 0.00 C ATOM 105 OE1 GLU A 11 -20.927 -16.103 -11.075 1.00 0.00 O ATOM 106 OE2 GLU A 11 -20.726 -15.077 -9.108 1.00 0.00 O ATOM 0 H GLU A 11 -18.171 -19.884 -11.719 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.585 -18.620 -9.985 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -20.477 -18.474 -10.022 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.901 -18.392 -8.369 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.682 -16.420 -8.734 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.447 -16.750 -10.439 1.00 0.00 H new ATOM 113 N ALA A 12 -17.572 -19.523 -7.539 1.00 0.00 N ATOM 114 CA ALA A 12 -17.207 -20.265 -6.344 1.00 0.00 C ATOM 115 C ALA A 12 -17.155 -19.309 -5.151 1.00 0.00 C ATOM 116 O ALA A 12 -16.094 -18.783 -4.818 1.00 0.00 O ATOM 117 CB ALA A 12 -15.876 -20.982 -6.576 1.00 0.00 C ATOM 0 H ALA A 12 -17.354 -18.527 -7.505 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.954 -21.027 -6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.602 -21.539 -5.680 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.975 -21.671 -7.415 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -15.101 -20.248 -6.799 1.00 0.00 H new ATOM 123 N GLY A 13 -18.314 -19.112 -4.540 1.00 0.00 N ATOM 124 CA GLY A 13 -18.413 -18.228 -3.391 1.00 0.00 C ATOM 125 C GLY A 13 -18.209 -16.769 -3.802 1.00 0.00 C ATOM 126 O GLY A 13 -17.860 -16.486 -4.948 1.00 0.00 O ATOM 0 H GLY A 13 -19.192 -19.549 -4.819 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -19.390 -18.344 -2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -17.667 -18.508 -2.647 1.00 0.00 H new ATOM 130 N GLY A 14 -18.435 -15.880 -2.846 1.00 0.00 N ATOM 131 CA GLY A 14 -18.280 -14.457 -3.094 1.00 0.00 C ATOM 132 C GLY A 14 -19.176 -14.001 -4.248 1.00 0.00 C ATOM 133 O GLY A 14 -20.163 -14.661 -4.570 1.00 0.00 O ATOM 0 H GLY A 14 -18.725 -16.118 -1.897 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -18.529 -13.898 -2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -17.239 -14.236 -3.328 1.00 0.00 H new ATOM 137 N GLY A 15 -18.799 -12.877 -4.839 1.00 0.00 N ATOM 138 CA GLY A 15 -19.555 -12.326 -5.951 1.00 0.00 C ATOM 139 C GLY A 15 -18.652 -11.508 -6.876 1.00 0.00 C ATOM 140 O GLY A 15 -17.445 -11.424 -6.657 1.00 0.00 O ATOM 0 H GLY A 15 -17.980 -12.333 -4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.022 -13.134 -6.514 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -20.359 -11.696 -5.572 1.00 0.00 H new ATOM 144 N ILE A 16 -19.273 -10.924 -7.891 1.00 0.00 N ATOM 145 CA ILE A 16 -18.540 -10.116 -8.851 1.00 0.00 C ATOM 146 C ILE A 16 -18.337 -8.712 -8.278 1.00 0.00 C ATOM 147 O ILE A 16 -19.226 -7.867 -8.364 1.00 0.00 O ATOM 148 CB ILE A 16 -19.243 -10.129 -10.210 1.00 0.00 C ATOM 149 CG1 ILE A 16 -19.259 -11.539 -10.805 1.00 0.00 C ATOM 150 CG2 ILE A 16 -18.613 -9.112 -11.163 1.00 0.00 C ATOM 151 CD1 ILE A 16 -20.358 -11.676 -11.860 1.00 0.00 C ATOM 0 H ILE A 16 -20.275 -10.994 -8.069 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.550 -10.537 -9.026 1.00 0.00 H new ATOM 0 HB ILE A 16 -20.281 -9.830 -10.061 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -18.290 -11.760 -11.253 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -19.417 -12.270 -10.012 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -19.131 -9.142 -12.121 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.697 -8.113 -10.736 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -17.561 -9.356 -11.312 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -20.348 -12.687 -12.267 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -21.328 -11.479 -11.403 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -20.183 -10.960 -12.663 1.00 0.00 H new ATOM 163 N ARG A 17 -17.160 -8.506 -7.706 1.00 0.00 N ATOM 164 CA ARG A 17 -16.828 -7.219 -7.119 1.00 0.00 C ATOM 165 C ARG A 17 -15.325 -6.954 -7.236 1.00 0.00 C ATOM 166 O ARG A 17 -14.515 -7.693 -6.681 1.00 0.00 O ATOM 167 CB ARG A 17 -17.234 -7.165 -5.645 1.00 0.00 C ATOM 168 CG ARG A 17 -16.788 -5.850 -5.001 1.00 0.00 C ATOM 169 CD ARG A 17 -15.566 -6.065 -4.106 1.00 0.00 C ATOM 170 NE ARG A 17 -15.863 -5.617 -2.727 1.00 0.00 N ATOM 171 CZ ARG A 17 -16.119 -4.346 -2.389 1.00 0.00 C ATOM 172 NH1 ARG A 17 -16.116 -3.389 -3.327 1.00 0.00 N ATOM 173 NH2 ARG A 17 -16.379 -4.032 -1.112 1.00 0.00 N ATOM 0 H ARG A 17 -16.424 -9.209 -7.636 1.00 0.00 H new ATOM 0 HA ARG A 17 -17.380 -6.454 -7.665 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -18.316 -7.268 -5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.790 -8.005 -5.111 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.551 -5.123 -5.777 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -17.605 -5.433 -4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.288 -7.119 -4.103 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.714 -5.512 -4.501 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.873 -6.320 -1.988 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.919 -3.628 -4.299 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.311 -2.422 -3.069 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.382 -4.761 -0.398 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.574 -3.065 -0.854 1.00 0.00 H new ATOM 187 N LYS A 18 -14.999 -5.895 -7.964 1.00 0.00 N ATOM 188 CA LYS A 18 -13.609 -5.523 -8.162 1.00 0.00 C ATOM 189 C LYS A 18 -13.542 -4.114 -8.755 1.00 0.00 C ATOM 190 O LYS A 18 -13.526 -3.950 -9.974 1.00 0.00 O ATOM 191 CB LYS A 18 -12.885 -6.579 -9.001 1.00 0.00 C ATOM 192 CG LYS A 18 -11.558 -6.978 -8.353 1.00 0.00 C ATOM 193 CD LYS A 18 -10.886 -8.110 -9.134 1.00 0.00 C ATOM 194 CE LYS A 18 -10.853 -9.399 -8.311 1.00 0.00 C ATOM 195 NZ LYS A 18 -11.128 -10.571 -9.172 1.00 0.00 N ATOM 0 H LYS A 18 -15.674 -5.284 -8.423 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.083 -5.493 -7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.519 -7.459 -9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.702 -6.190 -10.003 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.894 -6.114 -8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.732 -7.294 -7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.424 -8.283 -10.066 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.870 -7.819 -9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.878 -9.510 -7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.592 -9.346 -7.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.102 -11.438 -8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.068 -10.471 -9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.407 -10.629 -9.920 1.00 0.00 H new ATOM 209 N ARG A 19 -13.504 -3.133 -7.865 1.00 0.00 N ATOM 210 CA ARG A 19 -13.439 -1.744 -8.286 1.00 0.00 C ATOM 211 C ARG A 19 -12.467 -1.588 -9.457 1.00 0.00 C ATOM 212 O ARG A 19 -11.600 -2.436 -9.665 1.00 0.00 O ATOM 213 CB ARG A 19 -12.990 -0.841 -7.135 1.00 0.00 C ATOM 214 CG ARG A 19 -14.074 -0.743 -6.060 1.00 0.00 C ATOM 215 CD ARG A 19 -13.490 -0.241 -4.737 1.00 0.00 C ATOM 216 NE ARG A 19 -14.065 1.080 -4.398 1.00 0.00 N ATOM 217 CZ ARG A 19 -13.727 1.790 -3.314 1.00 0.00 C ATOM 218 NH1 ARG A 19 -12.815 1.311 -2.456 1.00 0.00 N ATOM 219 NH2 ARG A 19 -14.300 2.980 -3.087 1.00 0.00 N ATOM 0 H ARG A 19 -13.517 -3.273 -6.855 1.00 0.00 H new ATOM 0 HA ARG A 19 -14.439 -1.445 -8.599 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.073 -1.234 -6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.760 0.154 -7.517 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.862 -0.068 -6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -14.533 -1.720 -5.911 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -13.704 -0.955 -3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.405 -0.166 -4.814 1.00 0.00 H new ATOM 0 HE ARG A 19 -14.762 1.474 -5.029 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.378 0.406 -2.629 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.558 1.852 -1.630 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.994 3.345 -3.740 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.043 3.521 -2.261 1.00 0.00 H new ATOM 233 N HIS A 20 -12.644 -0.500 -10.191 1.00 0.00 N ATOM 234 CA HIS A 20 -11.793 -0.222 -11.335 1.00 0.00 C ATOM 235 C HIS A 20 -11.408 1.258 -11.342 1.00 0.00 C ATOM 236 O HIS A 20 -11.928 2.035 -12.141 1.00 0.00 O ATOM 237 CB HIS A 20 -12.469 -0.665 -12.635 1.00 0.00 C ATOM 238 CG HIS A 20 -11.774 -1.812 -13.329 1.00 0.00 C ATOM 239 ND1 HIS A 20 -12.395 -3.022 -13.582 1.00 0.00 N ATOM 240 CD2 HIS A 20 -10.506 -1.919 -13.820 1.00 0.00 C ATOM 241 CE1 HIS A 20 -11.531 -3.815 -14.198 1.00 0.00 C ATOM 242 NE2 HIS A 20 -10.360 -3.130 -14.344 1.00 0.00 N ATOM 0 H HIS A 20 -13.365 0.200 -10.016 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.872 -0.800 -11.256 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -13.497 -0.955 -12.417 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -12.515 0.184 -13.316 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -9.749 -1.149 -13.788 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -11.720 -4.826 -14.527 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -9.512 -3.489 -14.783 1.00 0.00 H new ATOM 250 N ARG A 21 -10.499 1.604 -10.442 1.00 0.00 N ATOM 251 CA ARG A 21 -10.038 2.978 -10.333 1.00 0.00 C ATOM 252 C ARG A 21 -8.786 3.051 -9.457 1.00 0.00 C ATOM 253 O ARG A 21 -8.877 3.321 -8.260 1.00 0.00 O ATOM 254 CB ARG A 21 -11.123 3.878 -9.737 1.00 0.00 C ATOM 255 CG ARG A 21 -10.988 5.313 -10.250 1.00 0.00 C ATOM 256 CD ARG A 21 -11.664 5.473 -11.613 1.00 0.00 C ATOM 257 NE ARG A 21 -12.392 6.760 -11.669 1.00 0.00 N ATOM 258 CZ ARG A 21 -13.023 7.219 -12.758 1.00 0.00 C ATOM 259 NH1 ARG A 21 -13.020 6.499 -13.888 1.00 0.00 N ATOM 260 NH2 ARG A 21 -13.658 8.399 -12.718 1.00 0.00 N ATOM 0 H ARG A 21 -10.069 0.956 -9.781 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.803 3.329 -11.338 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.107 3.487 -9.995 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.051 3.869 -8.649 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -11.436 6.003 -9.535 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.933 5.577 -10.330 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.917 5.434 -12.406 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.355 4.647 -11.785 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.415 7.334 -10.826 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.537 5.601 -13.919 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.501 6.849 -14.717 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.661 8.948 -11.858 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.138 8.748 -13.547 1.00 0.00 H new ATOM 274 N THR A 22 -7.647 2.805 -10.087 1.00 0.00 N ATOM 275 CA THR A 22 -6.378 2.838 -9.380 1.00 0.00 C ATOM 276 C THR A 22 -5.465 3.913 -9.974 1.00 0.00 C ATOM 277 O THR A 22 -5.635 4.310 -11.125 1.00 0.00 O ATOM 278 CB THR A 22 -5.774 1.434 -9.426 1.00 0.00 C ATOM 279 OG1 THR A 22 -5.999 1.002 -10.765 1.00 0.00 O ATOM 280 CG2 THR A 22 -6.556 0.431 -8.575 1.00 0.00 C ATOM 0 H THR A 22 -7.576 2.582 -11.080 1.00 0.00 H new ATOM 0 HA THR A 22 -6.515 3.114 -8.334 1.00 0.00 H new ATOM 0 HB THR A 22 -4.740 1.473 -9.082 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.636 0.099 -10.883 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.085 -0.549 -8.643 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.560 0.760 -7.536 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.581 0.367 -8.939 1.00 0.00 H new ATOM 288 N LYS A 23 -4.516 4.352 -9.161 1.00 0.00 N ATOM 289 CA LYS A 23 -3.575 5.373 -9.591 1.00 0.00 C ATOM 290 C LYS A 23 -2.321 5.306 -8.717 1.00 0.00 C ATOM 291 O LYS A 23 -2.088 6.189 -7.892 1.00 0.00 O ATOM 292 CB LYS A 23 -4.245 6.749 -9.602 1.00 0.00 C ATOM 293 CG LYS A 23 -4.335 7.304 -11.025 1.00 0.00 C ATOM 294 CD LYS A 23 -3.022 7.974 -11.436 1.00 0.00 C ATOM 295 CE LYS A 23 -3.092 8.477 -12.879 1.00 0.00 C ATOM 296 NZ LYS A 23 -2.804 9.928 -12.936 1.00 0.00 N ATOM 0 H LYS A 23 -4.378 4.020 -8.207 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.258 5.190 -10.618 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.244 6.674 -9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.680 7.438 -8.974 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.569 6.497 -11.720 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.150 8.025 -11.087 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.810 8.807 -10.766 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.200 7.265 -11.333 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.376 7.933 -13.495 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.081 8.280 -13.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.856 10.254 -13.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.503 10.443 -12.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.851 10.108 -12.562 1.00 0.00 H new ATOM 310 N PHE A 24 -1.548 4.252 -8.927 1.00 0.00 N ATOM 311 CA PHE A 24 -0.323 4.058 -8.169 1.00 0.00 C ATOM 312 C PHE A 24 0.778 5.004 -8.654 1.00 0.00 C ATOM 313 O PHE A 24 1.224 4.907 -9.796 1.00 0.00 O ATOM 314 CB PHE A 24 0.123 2.613 -8.400 1.00 0.00 C ATOM 315 CG PHE A 24 -1.032 1.614 -8.499 1.00 0.00 C ATOM 316 CD1 PHE A 24 -1.748 1.290 -7.389 1.00 0.00 C ATOM 317 CD2 PHE A 24 -1.342 1.050 -9.697 1.00 0.00 C ATOM 318 CE1 PHE A 24 -2.819 0.362 -7.481 1.00 0.00 C ATOM 319 CE2 PHE A 24 -2.413 0.123 -9.789 1.00 0.00 C ATOM 320 CZ PHE A 24 -3.129 -0.202 -8.680 1.00 0.00 C ATOM 0 H PHE A 24 -1.746 3.522 -9.612 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.502 4.264 -7.114 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.710 2.567 -9.318 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.781 2.312 -7.585 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.502 1.738 -6.438 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.773 1.307 -10.578 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.387 0.104 -6.600 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.659 -0.324 -10.741 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.944 -0.908 -8.751 1.00 0.00 H new ATOM 330 N THR A 25 1.184 5.895 -7.762 1.00 0.00 N ATOM 331 CA THR A 25 2.224 6.857 -8.086 1.00 0.00 C ATOM 332 C THR A 25 3.606 6.226 -7.909 1.00 0.00 C ATOM 333 O THR A 25 3.737 5.173 -7.287 1.00 0.00 O ATOM 334 CB THR A 25 2.006 8.098 -7.218 1.00 0.00 C ATOM 335 OG1 THR A 25 3.299 8.690 -7.129 1.00 0.00 O ATOM 336 CG2 THR A 25 1.656 7.747 -5.771 1.00 0.00 C ATOM 0 H THR A 25 0.812 5.971 -6.815 1.00 0.00 H new ATOM 0 HA THR A 25 2.172 7.161 -9.131 1.00 0.00 H new ATOM 0 HB THR A 25 1.209 8.705 -7.646 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.250 9.503 -6.584 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.512 8.664 -5.199 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.739 7.159 -5.751 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.468 7.168 -5.330 1.00 0.00 H new ATOM 344 N ALA A 26 4.603 6.898 -8.467 1.00 0.00 N ATOM 345 CA ALA A 26 5.971 6.416 -8.378 1.00 0.00 C ATOM 346 C ALA A 26 6.190 5.760 -7.014 1.00 0.00 C ATOM 347 O ALA A 26 6.923 4.779 -6.902 1.00 0.00 O ATOM 348 CB ALA A 26 6.938 7.576 -8.629 1.00 0.00 C ATOM 0 H ALA A 26 4.491 7.771 -8.982 1.00 0.00 H new ATOM 0 HA ALA A 26 6.161 5.661 -9.140 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.964 7.215 -8.562 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.762 7.988 -9.623 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.777 8.352 -7.881 1.00 0.00 H new ATOM 354 N GLU A 27 5.539 6.328 -6.009 1.00 0.00 N ATOM 355 CA GLU A 27 5.653 5.811 -4.656 1.00 0.00 C ATOM 356 C GLU A 27 4.952 4.455 -4.546 1.00 0.00 C ATOM 357 O GLU A 27 5.607 3.424 -4.402 1.00 0.00 O ATOM 358 CB GLU A 27 5.087 6.805 -3.639 1.00 0.00 C ATOM 359 CG GLU A 27 6.004 6.925 -2.421 1.00 0.00 C ATOM 360 CD GLU A 27 5.378 7.820 -1.350 1.00 0.00 C ATOM 361 OE1 GLU A 27 4.997 8.955 -1.710 1.00 0.00 O ATOM 362 OE2 GLU A 27 5.295 7.350 -0.194 1.00 0.00 O ATOM 0 H GLU A 27 4.931 7.141 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 27 6.710 5.672 -4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.969 7.782 -4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.096 6.481 -3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.195 5.935 -2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.967 7.335 -2.725 1.00 0.00 H new ATOM 369 N GLN A 28 3.630 4.500 -4.617 1.00 0.00 N ATOM 370 CA GLN A 28 2.834 3.288 -4.527 1.00 0.00 C ATOM 371 C GLN A 28 3.295 2.271 -5.574 1.00 0.00 C ATOM 372 O GLN A 28 3.446 1.089 -5.271 1.00 0.00 O ATOM 373 CB GLN A 28 1.344 3.598 -4.683 1.00 0.00 C ATOM 374 CG GLN A 28 0.885 4.621 -3.642 1.00 0.00 C ATOM 375 CD GLN A 28 0.879 4.010 -2.239 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.148 3.622 -1.706 1.00 0.00 O ATOM 377 NE2 GLN A 28 2.081 3.947 -1.672 1.00 0.00 N ATOM 0 H GLN A 28 3.090 5.357 -4.736 1.00 0.00 H new ATOM 0 HA GLN A 28 2.980 2.854 -3.538 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.152 3.982 -5.685 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.765 2.681 -4.577 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.546 5.488 -3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.115 4.976 -3.892 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.900 4.290 -2.174 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.183 3.556 -0.736 1.00 0.00 H new ATOM 386 N LYS A 29 3.505 2.769 -6.783 1.00 0.00 N ATOM 387 CA LYS A 29 3.945 1.919 -7.876 1.00 0.00 C ATOM 388 C LYS A 29 5.207 1.164 -7.452 1.00 0.00 C ATOM 389 O LYS A 29 5.224 -0.066 -7.442 1.00 0.00 O ATOM 390 CB LYS A 29 4.120 2.739 -9.156 1.00 0.00 C ATOM 391 CG LYS A 29 3.436 2.056 -10.342 1.00 0.00 C ATOM 392 CD LYS A 29 4.034 2.531 -11.668 1.00 0.00 C ATOM 393 CE LYS A 29 2.956 3.135 -12.571 1.00 0.00 C ATOM 394 NZ LYS A 29 3.492 3.372 -13.930 1.00 0.00 N ATOM 0 H LYS A 29 3.379 3.751 -7.030 1.00 0.00 H new ATOM 0 HA LYS A 29 3.187 1.171 -8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.701 3.735 -9.014 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.181 2.867 -9.368 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.545 0.975 -10.256 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.368 2.271 -10.323 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.810 3.272 -11.476 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.512 1.693 -12.176 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.099 2.463 -12.624 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.600 4.073 -12.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.748 3.782 -14.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.295 4.030 -13.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.810 2.471 -14.340 1.00 0.00 H new ATOM 408 N GLU A 30 6.232 1.932 -7.113 1.00 0.00 N ATOM 409 CA GLU A 30 7.495 1.351 -6.690 1.00 0.00 C ATOM 410 C GLU A 30 7.298 0.523 -5.418 1.00 0.00 C ATOM 411 O GLU A 30 7.748 -0.619 -5.340 1.00 0.00 O ATOM 412 CB GLU A 30 8.554 2.434 -6.481 1.00 0.00 C ATOM 413 CG GLU A 30 9.068 2.964 -7.821 1.00 0.00 C ATOM 414 CD GLU A 30 10.531 3.398 -7.715 1.00 0.00 C ATOM 415 OE1 GLU A 30 10.787 4.348 -6.943 1.00 0.00 O ATOM 416 OE2 GLU A 30 11.361 2.771 -8.408 1.00 0.00 O ATOM 0 H GLU A 30 6.214 2.952 -7.123 1.00 0.00 H new ATOM 0 HA GLU A 30 7.851 0.689 -7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.131 3.254 -5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.385 2.029 -5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.969 2.192 -8.584 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.457 3.808 -8.141 1.00 0.00 H new ATOM 423 N ARG A 31 6.626 1.132 -4.452 1.00 0.00 N ATOM 424 CA ARG A 31 6.364 0.466 -3.188 1.00 0.00 C ATOM 425 C ARG A 31 5.906 -0.973 -3.431 1.00 0.00 C ATOM 426 O ARG A 31 6.411 -1.903 -2.805 1.00 0.00 O ATOM 427 CB ARG A 31 5.292 1.207 -2.386 1.00 0.00 C ATOM 428 CG ARG A 31 5.799 2.575 -1.926 1.00 0.00 C ATOM 429 CD ARG A 31 6.220 2.538 -0.455 1.00 0.00 C ATOM 430 NE ARG A 31 7.694 2.452 -0.353 1.00 0.00 N ATOM 431 CZ ARG A 31 8.381 2.649 0.781 1.00 0.00 C ATOM 432 NH1 ARG A 31 7.731 2.943 1.915 1.00 0.00 N ATOM 433 NH2 ARG A 31 9.717 2.551 0.780 1.00 0.00 N ATOM 0 H ARG A 31 6.255 2.080 -4.520 1.00 0.00 H new ATOM 0 HA ARG A 31 7.292 0.464 -2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.398 1.333 -2.997 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.005 0.612 -1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.645 2.879 -2.542 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.018 3.322 -2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.863 3.432 0.057 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.762 1.682 0.042 1.00 0.00 H new ATOM 0 HE ARG A 31 8.220 2.229 -1.198 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.714 3.017 1.915 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.253 3.093 2.778 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.211 2.327 -0.084 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.240 2.701 1.643 1.00 0.00 H new ATOM 447 N MET A 32 4.953 -1.111 -4.341 1.00 0.00 N ATOM 448 CA MET A 32 4.421 -2.422 -4.674 1.00 0.00 C ATOM 449 C MET A 32 5.452 -3.254 -5.439 1.00 0.00 C ATOM 450 O MET A 32 5.644 -4.433 -5.146 1.00 0.00 O ATOM 451 CB MET A 32 3.162 -2.259 -5.528 1.00 0.00 C ATOM 452 CG MET A 32 2.002 -1.709 -4.696 1.00 0.00 C ATOM 453 SD MET A 32 0.454 -2.011 -5.531 1.00 0.00 S ATOM 454 CE MET A 32 -0.149 -0.338 -5.681 1.00 0.00 C ATOM 0 H MET A 32 4.536 -0.337 -4.858 1.00 0.00 H new ATOM 0 HA MET A 32 4.178 -2.942 -3.747 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.368 -1.586 -6.361 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.882 -3.221 -5.957 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.993 -2.181 -3.714 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.135 -0.639 -4.535 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.232 -0.329 -5.560 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.307 0.284 -4.910 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.110 0.055 -6.664 1.00 0.00 H new ATOM 464 N LEU A 33 6.090 -2.607 -6.403 1.00 0.00 N ATOM 465 CA LEU A 33 7.097 -3.273 -7.212 1.00 0.00 C ATOM 466 C LEU A 33 8.187 -3.838 -6.298 1.00 0.00 C ATOM 467 O LEU A 33 8.603 -4.984 -6.457 1.00 0.00 O ATOM 468 CB LEU A 33 7.628 -2.329 -8.292 1.00 0.00 C ATOM 469 CG LEU A 33 7.052 -2.523 -9.696 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.420 -1.229 -10.213 1.00 0.00 C ATOM 471 CD2 LEU A 33 8.113 -3.066 -10.654 1.00 0.00 C ATOM 0 H LEU A 33 5.929 -1.629 -6.642 1.00 0.00 H new ATOM 0 HA LEU A 33 6.660 -4.116 -7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.431 -1.304 -7.979 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.711 -2.444 -8.346 1.00 0.00 H new ATOM 0 HG LEU A 33 6.259 -3.268 -9.640 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.018 -1.394 -11.213 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.615 -0.925 -9.544 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.176 -0.445 -10.251 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.677 -3.195 -11.645 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.945 -2.364 -10.712 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.475 -4.027 -10.289 1.00 0.00 H new ATOM 483 N ALA A 34 8.619 -3.005 -5.362 1.00 0.00 N ATOM 484 CA ALA A 34 9.653 -3.407 -4.423 1.00 0.00 C ATOM 485 C ALA A 34 9.129 -4.551 -3.553 1.00 0.00 C ATOM 486 O ALA A 34 9.888 -5.437 -3.164 1.00 0.00 O ATOM 487 CB ALA A 34 10.088 -2.197 -3.595 1.00 0.00 C ATOM 0 H ALA A 34 8.272 -2.054 -5.234 1.00 0.00 H new ATOM 0 HA ALA A 34 10.532 -3.773 -4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.863 -2.498 -2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.479 -1.425 -4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.232 -1.805 -3.046 1.00 0.00 H new ATOM 493 N LEU A 35 7.835 -4.495 -3.273 1.00 0.00 N ATOM 494 CA LEU A 35 7.201 -5.515 -2.456 1.00 0.00 C ATOM 495 C LEU A 35 7.090 -6.811 -3.262 1.00 0.00 C ATOM 496 O LEU A 35 7.513 -7.870 -2.802 1.00 0.00 O ATOM 497 CB LEU A 35 5.862 -5.011 -1.914 1.00 0.00 C ATOM 498 CG LEU A 35 4.945 -6.072 -1.300 1.00 0.00 C ATOM 499 CD1 LEU A 35 5.516 -6.593 0.020 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.521 -5.537 -1.137 1.00 0.00 C ATOM 0 H LEU A 35 7.208 -3.759 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 35 7.811 -5.735 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.061 -4.250 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.325 -4.521 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 35 4.895 -6.918 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.845 -7.345 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.495 -7.038 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.615 -5.767 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.890 -6.310 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.533 -4.665 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.125 -5.255 -2.112 1.00 0.00 H new ATOM 512 N ALA A 36 6.518 -6.684 -4.450 1.00 0.00 N ATOM 513 CA ALA A 36 6.346 -7.832 -5.324 1.00 0.00 C ATOM 514 C ALA A 36 7.693 -8.533 -5.510 1.00 0.00 C ATOM 515 O ALA A 36 7.784 -9.754 -5.391 1.00 0.00 O ATOM 516 CB ALA A 36 5.737 -7.377 -6.652 1.00 0.00 C ATOM 0 H ALA A 36 6.168 -5.804 -4.828 1.00 0.00 H new ATOM 0 HA ALA A 36 5.658 -8.552 -4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.608 -8.238 -7.307 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.768 -6.913 -6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.400 -6.655 -7.128 1.00 0.00 H new ATOM 522 N GLU A 37 8.706 -7.730 -5.800 1.00 0.00 N ATOM 523 CA GLU A 37 10.045 -8.257 -6.004 1.00 0.00 C ATOM 524 C GLU A 37 10.614 -8.783 -4.685 1.00 0.00 C ATOM 525 O GLU A 37 11.676 -9.404 -4.667 1.00 0.00 O ATOM 526 CB GLU A 37 10.964 -7.198 -6.615 1.00 0.00 C ATOM 527 CG GLU A 37 10.689 -7.030 -8.110 1.00 0.00 C ATOM 528 CD GLU A 37 11.983 -6.753 -8.878 1.00 0.00 C ATOM 529 OE1 GLU A 37 12.855 -7.648 -8.863 1.00 0.00 O ATOM 530 OE2 GLU A 37 12.071 -5.651 -9.463 1.00 0.00 O ATOM 0 H GLU A 37 8.627 -6.718 -5.899 1.00 0.00 H new ATOM 0 HA GLU A 37 9.985 -9.087 -6.708 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.817 -6.246 -6.105 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.005 -7.483 -6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.216 -7.931 -8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.988 -6.210 -8.264 1.00 0.00 H new ATOM 537 N ARG A 38 9.883 -8.516 -3.613 1.00 0.00 N ATOM 538 CA ARG A 38 10.302 -8.954 -2.292 1.00 0.00 C ATOM 539 C ARG A 38 9.547 -10.223 -1.890 1.00 0.00 C ATOM 540 O ARG A 38 10.156 -11.200 -1.456 1.00 0.00 O ATOM 541 CB ARG A 38 10.053 -7.866 -1.246 1.00 0.00 C ATOM 542 CG ARG A 38 9.811 -8.479 0.135 1.00 0.00 C ATOM 543 CD ARG A 38 9.894 -7.414 1.230 1.00 0.00 C ATOM 544 NE ARG A 38 10.602 -7.956 2.411 1.00 0.00 N ATOM 545 CZ ARG A 38 10.737 -7.301 3.572 1.00 0.00 C ATOM 546 NH1 ARG A 38 10.212 -6.077 3.716 1.00 0.00 N ATOM 547 NH2 ARG A 38 11.397 -7.871 4.590 1.00 0.00 N ATOM 0 H ARG A 38 9.002 -8.001 -3.632 1.00 0.00 H new ATOM 0 HA ARG A 38 11.371 -9.162 -2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.910 -7.194 -1.204 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.191 -7.266 -1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.830 -8.955 0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.548 -9.259 0.325 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.417 -6.534 0.854 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.892 -7.092 1.513 1.00 0.00 H new ATOM 0 HE ARG A 38 11.013 -8.887 2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.709 -5.643 2.942 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.315 -5.579 4.600 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.796 -8.803 4.481 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.500 -7.373 5.474 1.00 0.00 H new ATOM 561 N ILE A 39 8.233 -10.166 -2.048 1.00 0.00 N ATOM 562 CA ILE A 39 7.389 -11.298 -1.707 1.00 0.00 C ATOM 563 C ILE A 39 7.465 -12.341 -2.824 1.00 0.00 C ATOM 564 O ILE A 39 7.381 -13.540 -2.565 1.00 0.00 O ATOM 565 CB ILE A 39 5.965 -10.831 -1.397 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.317 -10.195 -2.629 1.00 0.00 C ATOM 567 CG2 ILE A 39 5.947 -9.891 -0.190 1.00 0.00 C ATOM 568 CD1 ILE A 39 3.862 -9.816 -2.348 1.00 0.00 C ATOM 0 H ILE A 39 7.732 -9.353 -2.408 1.00 0.00 H new ATOM 0 HA ILE A 39 7.747 -11.779 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 39 5.368 -11.704 -1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.878 -9.307 -2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.360 -10.891 -3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.923 -9.574 0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.342 -10.412 0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.563 -9.017 -0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.425 -9.366 -3.239 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.299 -10.710 -2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.824 -9.102 -1.525 1.00 0.00 H new ATOM 580 N GLY A 40 7.623 -11.845 -4.043 1.00 0.00 N ATOM 581 CA GLY A 40 7.711 -12.719 -5.200 1.00 0.00 C ATOM 582 C GLY A 40 6.417 -12.679 -6.017 1.00 0.00 C ATOM 583 O GLY A 40 6.033 -13.676 -6.626 1.00 0.00 O ATOM 0 H GLY A 40 7.692 -10.849 -4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.550 -12.416 -5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.908 -13.740 -4.875 1.00 0.00 H new ATOM 587 N TRP A 41 5.782 -11.517 -6.002 1.00 0.00 N ATOM 588 CA TRP A 41 4.540 -11.334 -6.734 1.00 0.00 C ATOM 589 C TRP A 41 3.543 -12.387 -6.244 1.00 0.00 C ATOM 590 O TRP A 41 2.759 -12.918 -7.030 1.00 0.00 O ATOM 591 CB TRP A 41 4.779 -11.394 -8.244 1.00 0.00 C ATOM 592 CG TRP A 41 5.857 -10.429 -8.742 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.178 -10.483 -8.522 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.651 -9.256 -9.557 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.835 -9.435 -9.134 1.00 0.00 N ATOM 596 CE2 TRP A 41 6.877 -8.666 -9.783 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.467 -8.712 -10.086 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.039 -7.500 -10.543 1.00 0.00 C ATOM 599 CZ3 TRP A 41 4.646 -7.548 -10.843 1.00 0.00 C ATOM 600 CH2 TRP A 41 5.874 -6.941 -11.079 1.00 0.00 C ATOM 0 H TRP A 41 6.104 -10.693 -5.495 1.00 0.00 H new ATOM 0 HA TRP A 41 4.123 -10.345 -6.545 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.062 -12.411 -8.517 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.844 -11.175 -8.759 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.667 -11.250 -7.939 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.839 -9.258 -9.114 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.497 -9.157 -9.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.010 -7.057 -10.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.768 -7.089 -11.274 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.929 -6.041 -11.674 1.00 0.00 H new ATOM 611 N ARG A 42 3.606 -12.659 -4.949 1.00 0.00 N ATOM 612 CA ARG A 42 2.720 -13.639 -4.346 1.00 0.00 C ATOM 613 C ARG A 42 2.231 -13.145 -2.983 1.00 0.00 C ATOM 614 O ARG A 42 2.910 -12.358 -2.324 1.00 0.00 O ATOM 615 CB ARG A 42 3.425 -14.985 -4.169 1.00 0.00 C ATOM 616 CG ARG A 42 2.499 -16.143 -4.548 1.00 0.00 C ATOM 617 CD ARG A 42 2.946 -17.444 -3.877 1.00 0.00 C ATOM 618 NE ARG A 42 2.057 -18.554 -4.284 1.00 0.00 N ATOM 619 CZ ARG A 42 2.303 -19.846 -4.029 1.00 0.00 C ATOM 620 NH1 ARG A 42 3.412 -20.198 -3.365 1.00 0.00 N ATOM 621 NH2 ARG A 42 1.440 -20.787 -4.437 1.00 0.00 N ATOM 0 H ARG A 42 4.258 -12.217 -4.300 1.00 0.00 H new ATOM 0 HA ARG A 42 1.870 -13.772 -5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.322 -15.014 -4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.748 -15.097 -3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.477 -15.909 -4.250 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.495 -16.271 -5.630 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.975 -17.671 -4.154 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.926 -17.330 -2.793 1.00 0.00 H new ATOM 0 HE ARG A 42 1.203 -18.321 -4.791 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.069 -19.482 -3.054 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.600 -21.182 -3.171 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.595 -20.520 -4.942 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.628 -21.770 -4.242 1.00 0.00 H new ATOM 635 N ILE A 43 1.057 -13.626 -2.601 1.00 0.00 N ATOM 636 CA ILE A 43 0.470 -13.243 -1.328 1.00 0.00 C ATOM 637 C ILE A 43 0.142 -14.502 -0.523 1.00 0.00 C ATOM 638 O ILE A 43 -0.707 -15.296 -0.924 1.00 0.00 O ATOM 639 CB ILE A 43 -0.734 -12.323 -1.549 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.301 -10.992 -2.166 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.517 -12.125 -0.250 1.00 0.00 C ATOM 642 CD1 ILE A 43 -1.418 -10.397 -3.025 1.00 0.00 C ATOM 0 H ILE A 43 0.497 -14.277 -3.151 1.00 0.00 H new ATOM 0 HA ILE A 43 1.181 -12.664 -0.739 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.406 -12.804 -2.260 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.032 -10.291 -1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.590 -11.142 -2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.367 -11.468 -0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.875 -13.090 0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.867 -11.676 0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.084 -9.451 -3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.667 -11.090 -3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.300 -10.225 -2.407 1.00 0.00 H new ATOM 654 N GLN A 44 0.833 -14.644 0.599 1.00 0.00 N ATOM 655 CA GLN A 44 0.626 -15.793 1.464 1.00 0.00 C ATOM 656 C GLN A 44 0.271 -15.334 2.880 1.00 0.00 C ATOM 657 O GLN A 44 0.377 -14.151 3.198 1.00 0.00 O ATOM 658 CB GLN A 44 1.858 -16.700 1.475 1.00 0.00 C ATOM 659 CG GLN A 44 1.904 -17.577 0.221 1.00 0.00 C ATOM 660 CD GLN A 44 1.867 -19.061 0.589 1.00 0.00 C ATOM 661 OE1 GLN A 44 0.960 -19.541 1.250 1.00 0.00 O ATOM 662 NE2 GLN A 44 2.899 -19.760 0.125 1.00 0.00 N ATOM 0 H GLN A 44 1.536 -13.983 0.929 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.209 -16.374 1.071 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.761 -16.092 1.532 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.842 -17.331 2.364 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.060 -17.338 -0.426 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.810 -17.361 -0.345 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.624 -19.296 -0.422 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.965 -20.760 0.316 1.00 0.00 H new ATOM 671 N ARG A 45 -0.144 -16.295 3.692 1.00 0.00 N ATOM 672 CA ARG A 45 -0.516 -16.004 5.067 1.00 0.00 C ATOM 673 C ARG A 45 0.707 -15.541 5.861 1.00 0.00 C ATOM 674 O ARG A 45 0.575 -15.048 6.980 1.00 0.00 O ATOM 675 CB ARG A 45 -1.120 -17.235 5.746 1.00 0.00 C ATOM 676 CG ARG A 45 -0.222 -18.459 5.562 1.00 0.00 C ATOM 677 CD ARG A 45 -0.824 -19.435 4.550 1.00 0.00 C ATOM 678 NE ARG A 45 -0.838 -20.804 5.112 1.00 0.00 N ATOM 679 CZ ARG A 45 -1.291 -21.881 4.456 1.00 0.00 C ATOM 680 NH1 ARG A 45 -1.771 -21.755 3.212 1.00 0.00 N ATOM 681 NH2 ARG A 45 -1.264 -23.085 5.045 1.00 0.00 N ATOM 0 H ARG A 45 -0.231 -17.276 3.425 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.263 -15.210 5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.258 -17.037 6.809 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.106 -17.437 5.329 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.765 -18.143 5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.085 -18.961 6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.838 -19.128 4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.244 -19.418 3.627 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.480 -20.936 6.058 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.792 -20.839 2.764 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.116 -22.575 2.713 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.899 -23.181 5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.609 -23.905 4.546 1.00 0.00 H new ATOM 695 N GLN A 46 1.870 -15.717 5.250 1.00 0.00 N ATOM 696 CA GLN A 46 3.116 -15.323 5.886 1.00 0.00 C ATOM 697 C GLN A 46 3.413 -13.849 5.605 1.00 0.00 C ATOM 698 O GLN A 46 3.654 -13.074 6.529 1.00 0.00 O ATOM 699 CB GLN A 46 4.272 -16.213 5.425 1.00 0.00 C ATOM 700 CG GLN A 46 4.167 -17.611 6.038 1.00 0.00 C ATOM 701 CD GLN A 46 5.443 -17.971 6.802 1.00 0.00 C ATOM 702 OE1 GLN A 46 5.482 -17.994 8.021 1.00 0.00 O ATOM 703 NE2 GLN A 46 6.481 -18.251 6.019 1.00 0.00 N ATOM 0 H GLN A 46 1.976 -16.127 4.322 1.00 0.00 H new ATOM 0 HA GLN A 46 3.008 -15.452 6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.267 -16.288 4.338 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.221 -15.758 5.709 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.311 -17.653 6.712 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.990 -18.345 5.252 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.380 -18.213 5.005 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.378 -18.504 6.433 1.00 0.00 H new ATOM 712 N ASP A 47 3.385 -13.506 4.326 1.00 0.00 N ATOM 713 CA ASP A 47 3.648 -12.138 3.912 1.00 0.00 C ATOM 714 C ASP A 47 2.498 -11.240 4.373 1.00 0.00 C ATOM 715 O ASP A 47 2.634 -10.018 4.403 1.00 0.00 O ATOM 716 CB ASP A 47 3.749 -12.033 2.389 1.00 0.00 C ATOM 717 CG ASP A 47 4.722 -13.017 1.736 1.00 0.00 C ATOM 718 OD1 ASP A 47 5.918 -12.954 2.093 1.00 0.00 O ATOM 719 OD2 ASP A 47 4.248 -13.810 0.894 1.00 0.00 O ATOM 0 H ASP A 47 3.184 -14.152 3.562 1.00 0.00 H new ATOM 0 HA ASP A 47 4.592 -11.826 4.358 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.758 -12.188 1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.052 -11.019 2.129 1.00 0.00 H new ATOM 724 N ASP A 48 1.392 -11.881 4.720 1.00 0.00 N ATOM 725 CA ASP A 48 0.219 -11.156 5.178 1.00 0.00 C ATOM 726 C ASP A 48 0.658 -10.006 6.086 1.00 0.00 C ATOM 727 O ASP A 48 0.285 -8.856 5.862 1.00 0.00 O ATOM 728 CB ASP A 48 -0.712 -12.065 5.983 1.00 0.00 C ATOM 729 CG ASP A 48 -2.172 -12.064 5.525 1.00 0.00 C ATOM 730 OD1 ASP A 48 -2.396 -11.720 4.345 1.00 0.00 O ATOM 731 OD2 ASP A 48 -3.030 -12.406 6.367 1.00 0.00 O ATOM 0 H ASP A 48 1.283 -12.895 4.693 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.311 -10.784 4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.332 -13.085 5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.675 -11.762 7.030 1.00 0.00 H new ATOM 736 N GLU A 49 1.445 -10.357 7.093 1.00 0.00 N ATOM 737 CA GLU A 49 1.939 -9.369 8.037 1.00 0.00 C ATOM 738 C GLU A 49 2.559 -8.186 7.290 1.00 0.00 C ATOM 739 O GLU A 49 2.329 -7.032 7.648 1.00 0.00 O ATOM 740 CB GLU A 49 2.943 -9.992 9.008 1.00 0.00 C ATOM 741 CG GLU A 49 2.304 -10.236 10.376 1.00 0.00 C ATOM 742 CD GLU A 49 1.967 -11.716 10.568 1.00 0.00 C ATOM 743 OE1 GLU A 49 2.925 -12.519 10.588 1.00 0.00 O ATOM 744 OE2 GLU A 49 0.758 -12.012 10.690 1.00 0.00 O ATOM 0 H GLU A 49 1.753 -11.312 7.276 1.00 0.00 H new ATOM 0 HA GLU A 49 1.097 -9.002 8.624 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.311 -10.934 8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.805 -9.334 9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.984 -9.909 11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.398 -9.638 10.470 1.00 0.00 H new ATOM 751 N VAL A 50 3.334 -8.514 6.267 1.00 0.00 N ATOM 752 CA VAL A 50 3.989 -7.493 5.467 1.00 0.00 C ATOM 753 C VAL A 50 2.954 -6.813 4.568 1.00 0.00 C ATOM 754 O VAL A 50 2.962 -5.592 4.421 1.00 0.00 O ATOM 755 CB VAL A 50 5.150 -8.108 4.682 1.00 0.00 C ATOM 756 CG1 VAL A 50 6.078 -7.022 4.136 1.00 0.00 C ATOM 757 CG2 VAL A 50 5.923 -9.110 5.542 1.00 0.00 C ATOM 0 H VAL A 50 3.523 -9.472 5.974 1.00 0.00 H new ATOM 0 HA VAL A 50 4.419 -6.723 6.108 1.00 0.00 H new ATOM 0 HB VAL A 50 4.732 -8.649 3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.894 -7.486 3.582 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.517 -6.364 3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.485 -6.441 4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.743 -9.532 4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.324 -8.603 6.419 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.254 -9.910 5.859 1.00 0.00 H new ATOM 767 N ILE A 51 2.088 -7.633 3.992 1.00 0.00 N ATOM 768 CA ILE A 51 1.049 -7.126 3.112 1.00 0.00 C ATOM 769 C ILE A 51 0.208 -6.094 3.865 1.00 0.00 C ATOM 770 O ILE A 51 0.285 -4.899 3.582 1.00 0.00 O ATOM 771 CB ILE A 51 0.229 -8.280 2.529 1.00 0.00 C ATOM 772 CG1 ILE A 51 1.133 -9.290 1.819 1.00 0.00 C ATOM 773 CG2 ILE A 51 -0.878 -7.757 1.612 1.00 0.00 C ATOM 774 CD1 ILE A 51 1.347 -8.900 0.356 1.00 0.00 C ATOM 0 H ILE A 51 2.084 -8.645 4.117 1.00 0.00 H new ATOM 0 HA ILE A 51 1.491 -6.615 2.256 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.256 -8.805 3.352 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.095 -9.344 2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.687 -10.283 1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.445 -8.597 1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.544 -7.107 2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.435 -7.194 0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.993 -9.634 -0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.386 -8.870 -0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.815 -7.917 0.306 1.00 0.00 H new ATOM 786 N GLN A 52 -0.576 -6.592 4.810 1.00 0.00 N ATOM 787 CA GLN A 52 -1.431 -5.727 5.606 1.00 0.00 C ATOM 788 C GLN A 52 -0.637 -4.526 6.124 1.00 0.00 C ATOM 789 O GLN A 52 -1.113 -3.394 6.072 1.00 0.00 O ATOM 790 CB GLN A 52 -2.070 -6.501 6.761 1.00 0.00 C ATOM 791 CG GLN A 52 -3.438 -5.919 7.121 1.00 0.00 C ATOM 792 CD GLN A 52 -3.500 -5.539 8.602 1.00 0.00 C ATOM 793 OE1 GLN A 52 -3.250 -6.342 9.486 1.00 0.00 O ATOM 794 NE2 GLN A 52 -3.848 -4.274 8.822 1.00 0.00 N ATOM 0 H GLN A 52 -0.637 -7.583 5.042 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.235 -5.358 4.969 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.178 -7.550 6.485 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.416 -6.467 7.632 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.636 -5.040 6.508 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.218 -6.647 6.896 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.044 -3.655 8.035 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.919 -3.923 9.777 1.00 0.00 H new ATOM 803 N ARG A 53 0.561 -4.815 6.611 1.00 0.00 N ATOM 804 CA ARG A 53 1.426 -3.773 7.137 1.00 0.00 C ATOM 805 C ARG A 53 1.749 -2.750 6.046 1.00 0.00 C ATOM 806 O ARG A 53 1.565 -1.550 6.242 1.00 0.00 O ATOM 807 CB ARG A 53 2.731 -4.361 7.678 1.00 0.00 C ATOM 808 CG ARG A 53 3.775 -3.265 7.902 1.00 0.00 C ATOM 809 CD ARG A 53 3.323 -2.292 8.993 1.00 0.00 C ATOM 810 NE ARG A 53 4.474 -1.491 9.465 1.00 0.00 N ATOM 811 CZ ARG A 53 4.363 -0.379 10.204 1.00 0.00 C ATOM 812 NH1 ARG A 53 3.152 0.070 10.561 1.00 0.00 N ATOM 813 NH2 ARG A 53 5.462 0.284 10.587 1.00 0.00 N ATOM 0 H ARG A 53 0.953 -5.756 6.652 1.00 0.00 H new ATOM 0 HA ARG A 53 0.896 -3.283 7.954 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.538 -4.882 8.616 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.119 -5.100 6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.726 -3.716 8.184 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.943 -2.722 6.972 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.546 -1.634 8.605 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.887 -2.844 9.826 1.00 0.00 H new ATOM 0 HE ARG A 53 5.411 -1.805 9.212 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.315 -0.435 10.270 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.067 0.917 11.124 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.384 -0.058 10.316 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.377 1.131 11.150 1.00 0.00 H new ATOM 827 N PHE A 54 2.226 -3.263 4.921 1.00 0.00 N ATOM 828 CA PHE A 54 2.576 -2.409 3.799 1.00 0.00 C ATOM 829 C PHE A 54 1.397 -1.521 3.397 1.00 0.00 C ATOM 830 O PHE A 54 1.590 -0.441 2.840 1.00 0.00 O ATOM 831 CB PHE A 54 2.928 -3.330 2.629 1.00 0.00 C ATOM 832 CG PHE A 54 2.811 -2.664 1.257 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.587 -2.467 0.698 1.00 0.00 C ATOM 834 CD2 PHE A 54 3.932 -2.270 0.595 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.479 -1.849 -0.576 1.00 0.00 C ATOM 836 CE2 PHE A 54 3.824 -1.652 -0.679 1.00 0.00 C ATOM 837 CZ PHE A 54 2.600 -1.455 -1.238 1.00 0.00 C ATOM 0 H PHE A 54 2.378 -4.259 4.763 1.00 0.00 H new ATOM 0 HA PHE A 54 3.408 -1.760 4.071 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.947 -3.693 2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.273 -4.201 2.656 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.697 -2.781 1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.904 -2.427 1.038 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.507 -1.692 -1.019 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.714 -1.338 -1.204 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.518 -0.986 -2.207 1.00 0.00 H new ATOM 847 N CYS A 55 0.201 -2.009 3.694 1.00 0.00 N ATOM 848 CA CYS A 55 -1.009 -1.273 3.370 1.00 0.00 C ATOM 849 C CYS A 55 -1.149 -0.118 4.364 1.00 0.00 C ATOM 850 O CYS A 55 -1.928 0.808 4.139 1.00 0.00 O ATOM 851 CB CYS A 55 -2.241 -2.181 3.372 1.00 0.00 C ATOM 852 SG CYS A 55 -2.097 -3.434 2.047 1.00 0.00 S ATOM 0 H CYS A 55 0.045 -2.905 4.155 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.935 -0.874 2.359 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.339 -2.673 4.340 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.142 -1.586 3.224 1.00 0.00 H new ATOM 0 HG CYS A 55 -2.702 -3.007 0.978 1.00 0.00 H new ATOM 858 N GLN A 56 -0.384 -0.210 5.441 1.00 0.00 N ATOM 859 CA GLN A 56 -0.413 0.815 6.470 1.00 0.00 C ATOM 860 C GLN A 56 0.512 1.974 6.091 1.00 0.00 C ATOM 861 O GLN A 56 0.230 3.128 6.411 1.00 0.00 O ATOM 862 CB GLN A 56 -0.035 0.235 7.834 1.00 0.00 C ATOM 863 CG GLN A 56 -0.979 -0.904 8.227 1.00 0.00 C ATOM 864 CD GLN A 56 -1.400 -0.786 9.693 1.00 0.00 C ATOM 865 OE1 GLN A 56 -2.507 -0.387 10.017 1.00 0.00 O ATOM 866 NE2 GLN A 56 -0.459 -1.154 10.558 1.00 0.00 N ATOM 0 H GLN A 56 0.260 -0.979 5.624 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.431 1.198 6.545 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.991 -0.132 7.805 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.072 1.020 8.590 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.862 -0.886 7.589 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.487 -1.862 8.062 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.447 -1.479 10.219 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.643 -1.112 11.560 1.00 0.00 H new ATOM 875 N GLU A 57 1.597 1.626 5.416 1.00 0.00 N ATOM 876 CA GLU A 57 2.565 2.622 4.990 1.00 0.00 C ATOM 877 C GLU A 57 2.129 3.254 3.667 1.00 0.00 C ATOM 878 O GLU A 57 2.381 4.434 3.426 1.00 0.00 O ATOM 879 CB GLU A 57 3.963 2.012 4.872 1.00 0.00 C ATOM 880 CG GLU A 57 4.127 1.268 3.545 1.00 0.00 C ATOM 881 CD GLU A 57 5.578 0.832 3.337 1.00 0.00 C ATOM 882 OE1 GLU A 57 6.215 0.474 4.351 1.00 0.00 O ATOM 883 OE2 GLU A 57 6.019 0.865 2.167 1.00 0.00 O ATOM 0 H GLU A 57 1.827 0.668 5.153 1.00 0.00 H new ATOM 0 HA GLU A 57 2.609 3.405 5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.714 2.798 4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.135 1.326 5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.475 0.394 3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.815 1.911 2.722 1.00 0.00 H new ATOM 890 N THR A 58 1.482 2.442 2.844 1.00 0.00 N ATOM 891 CA THR A 58 1.009 2.907 1.552 1.00 0.00 C ATOM 892 C THR A 58 -0.459 3.327 1.641 1.00 0.00 C ATOM 893 O THR A 58 -0.787 4.498 1.453 1.00 0.00 O ATOM 894 CB THR A 58 1.263 1.798 0.528 1.00 0.00 C ATOM 895 OG1 THR A 58 0.525 0.687 1.030 1.00 0.00 O ATOM 896 CG2 THR A 58 2.715 1.316 0.535 1.00 0.00 C ATOM 0 H THR A 58 1.274 1.464 3.047 1.00 0.00 H new ATOM 0 HA THR A 58 1.550 3.797 1.230 1.00 0.00 H new ATOM 0 HB THR A 58 1.005 2.157 -0.468 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.112 0.125 1.578 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.841 0.530 -0.209 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.376 2.149 0.298 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.964 0.925 1.522 1.00 0.00 H new ATOM 904 N GLY A 59 -1.305 2.348 1.928 1.00 0.00 N ATOM 905 CA GLY A 59 -2.731 2.601 2.044 1.00 0.00 C ATOM 906 C GLY A 59 -3.514 1.832 0.978 1.00 0.00 C ATOM 907 O GLY A 59 -4.739 1.919 0.919 1.00 0.00 O ATOM 0 H GLY A 59 -1.030 1.378 2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.076 2.308 3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.924 3.669 1.942 1.00 0.00 H new ATOM 911 N VAL A 60 -2.773 1.096 0.162 1.00 0.00 N ATOM 912 CA VAL A 60 -3.382 0.313 -0.899 1.00 0.00 C ATOM 913 C VAL A 60 -4.075 -0.909 -0.291 1.00 0.00 C ATOM 914 O VAL A 60 -3.570 -1.504 0.659 1.00 0.00 O ATOM 915 CB VAL A 60 -2.331 -0.056 -1.947 1.00 0.00 C ATOM 916 CG1 VAL A 60 -2.925 -0.968 -3.023 1.00 0.00 C ATOM 917 CG2 VAL A 60 -1.714 1.198 -2.570 1.00 0.00 C ATOM 0 H VAL A 60 -1.757 1.026 0.215 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.144 0.897 -1.415 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.536 -0.606 -1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.156 -1.215 -3.755 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.294 -1.884 -2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.749 -0.456 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.970 0.907 -3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.495 1.787 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.237 1.794 -1.792 1.00 0.00 H new ATOM 927 N PRO A 61 -5.251 -1.256 -0.881 1.00 0.00 N ATOM 928 CA PRO A 61 -6.017 -2.396 -0.408 1.00 0.00 C ATOM 929 C PRO A 61 -5.370 -3.711 -0.845 1.00 0.00 C ATOM 930 O PRO A 61 -4.824 -3.804 -1.944 1.00 0.00 O ATOM 931 CB PRO A 61 -7.410 -2.199 -0.983 1.00 0.00 C ATOM 932 CG PRO A 61 -7.253 -1.213 -2.129 1.00 0.00 C ATOM 933 CD PRO A 61 -5.879 -0.574 -2.009 1.00 0.00 C ATOM 0 HA PRO A 61 -6.054 -2.456 0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.824 -3.144 -1.335 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.094 -1.813 -0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.355 -1.722 -3.087 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.033 -0.452 -2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.300 -0.705 -2.923 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.955 0.499 -1.831 1.00 0.00 H new ATOM 941 N ARG A 62 -5.453 -4.697 0.037 1.00 0.00 N ATOM 942 CA ARG A 62 -4.882 -6.003 -0.245 1.00 0.00 C ATOM 943 C ARG A 62 -5.387 -6.524 -1.592 1.00 0.00 C ATOM 944 O ARG A 62 -4.593 -6.848 -2.473 1.00 0.00 O ATOM 945 CB ARG A 62 -5.242 -7.009 0.851 1.00 0.00 C ATOM 946 CG ARG A 62 -4.731 -8.408 0.500 1.00 0.00 C ATOM 947 CD ARG A 62 -4.706 -9.309 1.736 1.00 0.00 C ATOM 948 NE ARG A 62 -5.343 -10.608 1.428 1.00 0.00 N ATOM 949 CZ ARG A 62 -5.527 -11.586 2.326 1.00 0.00 C ATOM 950 NH1 ARG A 62 -5.124 -11.417 3.592 1.00 0.00 N ATOM 951 NH2 ARG A 62 -6.115 -12.732 1.957 1.00 0.00 N ATOM 0 H ARG A 62 -5.907 -4.617 0.947 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.798 -5.891 -0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.812 -6.688 1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.323 -7.036 0.984 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.369 -8.851 -0.264 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.729 -8.337 0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.677 -9.467 2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.229 -8.824 2.560 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.662 -10.770 0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.677 -10.544 3.873 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.264 -12.161 4.275 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.422 -12.860 0.993 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.255 -13.476 2.640 1.00 0.00 H new ATOM 965 N GLN A 63 -6.706 -6.588 -1.708 1.00 0.00 N ATOM 966 CA GLN A 63 -7.326 -7.064 -2.933 1.00 0.00 C ATOM 967 C GLN A 63 -6.679 -6.399 -4.149 1.00 0.00 C ATOM 968 O GLN A 63 -6.588 -7.003 -5.217 1.00 0.00 O ATOM 969 CB GLN A 63 -8.836 -6.819 -2.913 1.00 0.00 C ATOM 970 CG GLN A 63 -9.575 -7.885 -3.725 1.00 0.00 C ATOM 971 CD GLN A 63 -11.082 -7.617 -3.739 1.00 0.00 C ATOM 972 OE1 GLN A 63 -11.679 -7.233 -2.747 1.00 0.00 O ATOM 973 NE2 GLN A 63 -11.660 -7.841 -4.916 1.00 0.00 N ATOM 0 H GLN A 63 -7.361 -6.318 -0.974 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.166 -8.140 -3.004 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.196 -6.826 -1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.053 -5.831 -3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.195 -7.898 -4.746 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.381 -8.870 -3.300 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -11.100 -8.162 -5.706 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.663 -7.692 -5.028 1.00 0.00 H new ATOM 982 N VAL A 64 -6.245 -5.163 -3.947 1.00 0.00 N ATOM 983 CA VAL A 64 -5.608 -4.410 -5.014 1.00 0.00 C ATOM 984 C VAL A 64 -4.166 -4.891 -5.183 1.00 0.00 C ATOM 985 O VAL A 64 -3.755 -5.259 -6.282 1.00 0.00 O ATOM 986 CB VAL A 64 -5.709 -2.910 -4.728 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.511 -2.159 -5.313 1.00 0.00 C ATOM 988 CG2 VAL A 64 -7.026 -2.338 -5.255 1.00 0.00 C ATOM 0 H VAL A 64 -6.322 -4.665 -3.060 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.120 -4.582 -5.961 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.695 -2.773 -3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.607 -1.095 -5.096 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.591 -2.538 -4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.480 -2.308 -6.392 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.072 -1.271 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.085 -2.492 -6.332 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.862 -2.843 -4.770 1.00 0.00 H new ATOM 998 N LEU A 65 -3.437 -4.873 -4.077 1.00 0.00 N ATOM 999 CA LEU A 65 -2.049 -5.303 -4.088 1.00 0.00 C ATOM 1000 C LEU A 65 -1.961 -6.712 -4.678 1.00 0.00 C ATOM 1001 O LEU A 65 -0.897 -7.137 -5.125 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.439 -5.183 -2.690 1.00 0.00 C ATOM 1003 CG LEU A 65 0.084 -5.295 -2.611 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.551 -6.701 -2.993 1.00 0.00 C ATOM 1005 CD2 LEU A 65 0.759 -4.216 -3.460 1.00 0.00 C ATOM 0 H LEU A 65 -3.781 -4.567 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.454 -4.651 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.735 -4.223 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.874 -5.957 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 65 0.385 -5.125 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.638 -6.753 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.111 -7.428 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.237 -6.924 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.842 -4.319 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.454 -4.328 -4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.463 -3.231 -3.100 1.00 0.00 H new ATOM 1017 N LYS A 66 -3.094 -7.398 -4.660 1.00 0.00 N ATOM 1018 CA LYS A 66 -3.159 -8.751 -5.188 1.00 0.00 C ATOM 1019 C LYS A 66 -3.331 -8.693 -6.707 1.00 0.00 C ATOM 1020 O LYS A 66 -2.401 -8.996 -7.453 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.249 -9.553 -4.475 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.371 -10.959 -5.065 1.00 0.00 C ATOM 1023 CD LYS A 66 -4.870 -11.953 -4.016 1.00 0.00 C ATOM 1024 CE LYS A 66 -6.385 -12.146 -4.119 1.00 0.00 C ATOM 1025 NZ LYS A 66 -7.045 -11.748 -2.856 1.00 0.00 N ATOM 0 H LYS A 66 -3.975 -7.043 -4.288 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.227 -9.282 -4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.019 -9.620 -3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.203 -9.034 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.057 -10.943 -5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.402 -11.283 -5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.368 -12.911 -4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.612 -11.595 -3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.778 -11.552 -4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.610 -13.189 -4.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.072 -11.885 -2.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.682 -12.332 -2.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.845 -10.746 -2.660 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.528 -8.302 -7.120 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.834 -8.201 -8.537 1.00 0.00 C ATOM 1041 C VAL A 67 -3.754 -7.369 -9.230 1.00 0.00 C ATOM 1042 O VAL A 67 -3.390 -7.644 -10.372 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.242 -7.633 -8.729 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -6.695 -7.770 -10.183 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -7.237 -8.301 -7.779 1.00 0.00 C ATOM 0 H VAL A 67 -5.297 -8.052 -6.498 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.830 -9.188 -9.000 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.210 -6.571 -8.487 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.699 -7.359 -10.292 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.008 -7.226 -10.831 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.702 -8.823 -10.464 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.230 -7.879 -7.936 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.263 -9.373 -7.975 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.928 -8.128 -6.748 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.271 -6.367 -8.509 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.239 -5.492 -9.041 1.00 0.00 C ATOM 1057 C TRP A 68 -1.180 -6.366 -9.716 1.00 0.00 C ATOM 1058 O TRP A 68 -0.884 -6.188 -10.897 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.662 -4.595 -7.944 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.550 -3.661 -8.424 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -0.674 -2.494 -9.071 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.871 -3.865 -8.269 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.557 -1.933 -9.343 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.526 -2.793 -8.839 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.578 -4.920 -7.666 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.921 -2.671 -8.864 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.971 -4.784 -7.699 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.646 -3.711 -8.269 1.00 0.00 C ATOM 0 H TRP A 68 -3.575 -6.142 -7.562 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.655 -4.812 -9.784 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.467 -3.996 -7.518 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.274 -5.223 -7.142 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.619 -2.048 -9.345 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.725 -1.050 -9.825 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.086 -5.768 -7.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 3.411 -1.822 -9.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.563 -5.568 -7.250 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.725 -3.679 -8.253 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.639 -7.292 -8.939 1.00 0.00 N ATOM 1080 CA LEU A 69 0.380 -8.194 -9.448 1.00 0.00 C ATOM 1081 C LEU A 69 -0.063 -8.745 -10.805 1.00 0.00 C ATOM 1082 O LEU A 69 0.637 -8.583 -11.803 1.00 0.00 O ATOM 1083 CB LEU A 69 0.697 -9.280 -8.417 1.00 0.00 C ATOM 1084 CG LEU A 69 1.070 -8.788 -7.017 1.00 0.00 C ATOM 1085 CD1 LEU A 69 0.771 -9.856 -5.963 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.528 -8.327 -6.969 1.00 0.00 C ATOM 0 H LEU A 69 -0.887 -7.437 -7.960 1.00 0.00 H new ATOM 0 HA LEU A 69 1.315 -7.658 -9.612 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.170 -9.936 -8.331 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.519 -9.886 -8.798 1.00 0.00 H new ATOM 0 HG LEU A 69 0.451 -7.922 -6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.045 -9.481 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.293 -10.094 -5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.347 -10.755 -6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.768 -7.982 -5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.181 -9.159 -7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.675 -7.511 -7.677 1.00 0.00 H new ATOM 1098 N HIS A 70 -1.224 -9.385 -10.797 1.00 0.00 N ATOM 1099 CA HIS A 70 -1.769 -9.960 -12.015 1.00 0.00 C ATOM 1100 C HIS A 70 -1.910 -8.870 -13.079 1.00 0.00 C ATOM 1101 O HIS A 70 -1.641 -9.107 -14.256 1.00 0.00 O ATOM 1102 CB HIS A 70 -3.086 -10.685 -11.731 1.00 0.00 C ATOM 1103 CG HIS A 70 -3.636 -11.444 -12.915 1.00 0.00 C ATOM 1104 ND1 HIS A 70 -3.118 -12.656 -13.336 1.00 0.00 N ATOM 1105 CD2 HIS A 70 -4.665 -11.150 -13.762 1.00 0.00 C ATOM 1106 CE1 HIS A 70 -3.810 -13.064 -14.389 1.00 0.00 C ATOM 1107 NE2 HIS A 70 -4.768 -12.129 -14.652 1.00 0.00 N ATOM 0 H HIS A 70 -1.802 -9.518 -9.967 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.083 -10.713 -12.405 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -2.936 -11.380 -10.905 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.827 -9.956 -11.403 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.289 -10.270 -13.716 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.645 -13.977 -14.942 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.451 -12.175 -15.408 1.00 0.00 H new ATOM 1115 N ASN A 71 -2.331 -7.698 -12.628 1.00 0.00 N ATOM 1116 CA ASN A 71 -2.511 -6.570 -13.526 1.00 0.00 C ATOM 1117 C ASN A 71 -1.159 -6.182 -14.127 1.00 0.00 C ATOM 1118 O ASN A 71 -1.098 -5.645 -15.233 1.00 0.00 O ATOM 1119 CB ASN A 71 -3.064 -5.354 -12.780 1.00 0.00 C ATOM 1120 CG ASN A 71 -4.571 -5.211 -13.003 1.00 0.00 C ATOM 1121 OD1 ASN A 71 -5.049 -5.073 -14.117 1.00 0.00 O ATOM 1122 ND2 ASN A 71 -5.289 -5.253 -11.885 1.00 0.00 N ATOM 0 H ASN A 71 -2.553 -7.505 -11.651 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.216 -6.867 -14.303 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.859 -5.453 -11.714 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.555 -4.452 -13.120 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.305 -5.167 -11.928 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.824 -5.371 -10.985 1.00 0.00 H new ATOM 1129 N ASN A 72 -0.108 -6.467 -13.373 1.00 0.00 N ATOM 1130 CA ASN A 72 1.240 -6.154 -13.817 1.00 0.00 C ATOM 1131 C ASN A 72 1.852 -7.389 -14.483 1.00 0.00 C ATOM 1132 O ASN A 72 1.896 -7.479 -15.709 1.00 0.00 O ATOM 1133 CB ASN A 72 2.132 -5.762 -12.638 1.00 0.00 C ATOM 1134 CG ASN A 72 1.874 -4.315 -12.213 1.00 0.00 C ATOM 1135 OD1 ASN A 72 2.721 -3.445 -12.336 1.00 0.00 O ATOM 1136 ND2 ASN A 72 0.662 -4.107 -11.709 1.00 0.00 N ATOM 0 H ASN A 72 -0.162 -6.912 -12.457 1.00 0.00 H new ATOM 0 HA ASN A 72 1.180 -5.320 -14.516 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.945 -6.431 -11.798 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.180 -5.883 -12.914 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.393 -3.174 -11.397 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.001 -4.880 -11.634 1.00 0.00 H new ATOM 1143 N LYS A 73 2.308 -8.308 -13.646 1.00 0.00 N ATOM 1144 CA LYS A 73 2.915 -9.533 -14.138 1.00 0.00 C ATOM 1145 C LYS A 73 2.069 -10.092 -15.283 1.00 0.00 C ATOM 1146 O LYS A 73 0.900 -10.424 -15.092 1.00 0.00 O ATOM 1147 CB LYS A 73 3.129 -10.523 -12.991 1.00 0.00 C ATOM 1148 CG LYS A 73 1.798 -10.905 -12.340 1.00 0.00 C ATOM 1149 CD LYS A 73 1.625 -12.424 -12.295 1.00 0.00 C ATOM 1150 CE LYS A 73 0.948 -12.861 -10.994 1.00 0.00 C ATOM 1151 NZ LYS A 73 1.962 -13.189 -9.967 1.00 0.00 N ATOM 0 H LYS A 73 2.270 -8.229 -12.630 1.00 0.00 H new ATOM 0 HA LYS A 73 3.907 -9.331 -14.543 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.624 -11.418 -13.367 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.790 -10.083 -12.244 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.755 -10.500 -11.329 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.975 -10.458 -12.898 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.029 -12.751 -13.147 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.598 -12.907 -12.383 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.298 -12.065 -10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.316 -13.729 -11.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.662 -12.805 -9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.061 -14.222 -9.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.876 -12.771 -10.235 1.00 0.00 H new ATOM 1165 N HIS A 74 2.692 -10.179 -16.449 1.00 0.00 N ATOM 1166 CA HIS A 74 2.011 -10.693 -17.626 1.00 0.00 C ATOM 1167 C HIS A 74 1.881 -12.214 -17.520 1.00 0.00 C ATOM 1168 O HIS A 74 2.715 -12.950 -18.044 1.00 0.00 O ATOM 1169 CB HIS A 74 2.723 -10.246 -18.904 1.00 0.00 C ATOM 1170 CG HIS A 74 1.854 -10.287 -20.138 1.00 0.00 C ATOM 1171 ND1 HIS A 74 0.504 -9.980 -20.114 1.00 0.00 N ATOM 1172 CD2 HIS A 74 2.155 -10.599 -21.431 1.00 0.00 C ATOM 1173 CE1 HIS A 74 0.025 -10.107 -21.343 1.00 0.00 C ATOM 1174 NE2 HIS A 74 1.049 -10.491 -22.157 1.00 0.00 N ATOM 0 H HIS A 74 3.661 -9.902 -16.604 1.00 0.00 H new ATOM 0 HA HIS A 74 1.004 -10.280 -17.678 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.092 -9.230 -18.766 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.594 -10.882 -19.064 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.128 -10.885 -21.801 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.997 -9.936 -21.647 1.00 0.00 H new ATOM 0 HE2 HIS A 74 0.977 -10.666 -23.159 1.00 0.00 H new ATOM 1182 N SER A 75 0.827 -12.639 -16.839 1.00 0.00 N ATOM 1183 CA SER A 75 0.576 -14.059 -16.658 1.00 0.00 C ATOM 1184 C SER A 75 1.680 -14.680 -15.800 1.00 0.00 C ATOM 1185 O SER A 75 2.823 -14.792 -16.239 1.00 0.00 O ATOM 1186 CB SER A 75 0.483 -14.778 -18.005 1.00 0.00 C ATOM 1187 OG SER A 75 -0.542 -15.767 -18.012 1.00 0.00 O ATOM 0 H SER A 75 0.137 -12.025 -16.406 1.00 0.00 H new ATOM 0 HA SER A 75 -0.380 -14.175 -16.148 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.289 -14.049 -18.792 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.440 -15.246 -18.233 1.00 0.00 H new ATOM 0 HG SER A 75 -0.571 -16.202 -18.890 1.00 0.00 H new ATOM 1193 N GLY A 76 1.299 -15.067 -14.591 1.00 0.00 N ATOM 1194 CA GLY A 76 2.242 -15.674 -13.668 1.00 0.00 C ATOM 1195 C GLY A 76 1.607 -16.856 -12.933 1.00 0.00 C ATOM 1196 O GLY A 76 0.956 -16.676 -11.905 1.00 0.00 O ATOM 0 H GLY A 76 0.350 -14.972 -14.230 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.124 -16.011 -14.213 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.579 -14.931 -12.946 1.00 0.00 H new ATOM 1200 N PRO A 77 1.823 -18.071 -13.505 1.00 0.00 N ATOM 1201 CA PRO A 77 1.279 -19.283 -12.915 1.00 0.00 C ATOM 1202 C PRO A 77 2.069 -19.690 -11.670 1.00 0.00 C ATOM 1203 O PRO A 77 3.232 -20.079 -11.768 1.00 0.00 O ATOM 1204 CB PRO A 77 1.341 -20.322 -14.024 1.00 0.00 C ATOM 1205 CG PRO A 77 2.339 -19.789 -15.039 1.00 0.00 C ATOM 1206 CD PRO A 77 2.588 -18.323 -14.722 1.00 0.00 C ATOM 0 HA PRO A 77 0.256 -19.156 -12.562 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.658 -21.290 -13.635 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.361 -20.467 -14.479 1.00 0.00 H new ATOM 0 HG2 PRO A 77 3.270 -20.353 -14.991 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.950 -19.900 -16.051 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.649 -18.126 -14.570 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.257 -17.680 -15.538 1.00 0.00 H new ATOM 1214 N SER A 78 1.407 -19.585 -10.527 1.00 0.00 N ATOM 1215 CA SER A 78 2.032 -19.937 -9.264 1.00 0.00 C ATOM 1216 C SER A 78 1.867 -21.434 -8.998 1.00 0.00 C ATOM 1217 O SER A 78 2.854 -22.160 -8.882 1.00 0.00 O ATOM 1218 CB SER A 78 1.441 -19.124 -8.111 1.00 0.00 C ATOM 1219 OG SER A 78 0.024 -19.256 -8.037 1.00 0.00 O ATOM 0 H SER A 78 0.443 -19.261 -10.450 1.00 0.00 H new ATOM 0 HA SER A 78 3.094 -19.702 -9.331 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.885 -19.452 -7.171 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.701 -18.073 -8.237 1.00 0.00 H new ATOM 0 HG SER A 78 -0.315 -18.724 -7.287 1.00 0.00 H new ATOM 1225 N SER A 79 0.613 -21.852 -8.908 1.00 0.00 N ATOM 1226 CA SER A 79 0.307 -23.250 -8.658 1.00 0.00 C ATOM 1227 C SER A 79 -0.592 -23.796 -9.769 1.00 0.00 C ATOM 1228 O SER A 79 -1.638 -23.221 -10.065 1.00 0.00 O ATOM 1229 CB SER A 79 -0.365 -23.431 -7.295 1.00 0.00 C ATOM 1230 OG SER A 79 -1.507 -22.592 -7.147 1.00 0.00 O ATOM 0 H SER A 79 -0.203 -21.247 -9.004 1.00 0.00 H new ATOM 0 HA SER A 79 1.243 -23.809 -8.649 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.662 -24.473 -7.173 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.352 -23.209 -6.505 1.00 0.00 H new ATOM 0 HG SER A 79 -1.971 -22.516 -8.007 1.00 0.00 H new ATOM 1236 N GLY A 80 -0.152 -24.901 -10.354 1.00 0.00 N ATOM 1237 CA GLY A 80 -0.903 -25.531 -11.426 1.00 0.00 C ATOM 1238 C GLY A 80 -0.454 -26.978 -11.634 1.00 0.00 C ATOM 1239 O GLY A 80 -1.145 -27.759 -12.285 1.00 0.00 O ATOM 0 H GLY A 80 0.716 -25.376 -10.105 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.967 -25.507 -11.192 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.767 -24.968 -12.349 1.00 0.00 H new TER 1243 GLY A 80