USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 567 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 21 LYS NZ :NH3+ -107:sc= -0.449 (180deg=-0.312) USER MOD Set 1.2: A 23 ASN :FLIP amide:sc= -4.69! C(o=-6.4!,f=-5.2!) USER MOD Set 1.3: A 33 THR OG1 : rot 180:sc= -0.08 USER MOD Single : A 1 GLU N :NH3+ -168:sc= -0.0717 (180deg=-0.181) USER MOD Single : A 2 ASN : amide:sc= -0.165 K(o=-0.16,f=-1.4) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -92:sc= -2.06! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 14 SER OG : rot 97:sc= -0.385! USER MOD Single : A 19 THR OG1 : rot 90:sc= -0.628 USER MOD Single : A 28 ASN : amide:sc= -1.24 K(o=-1.2,f=-3.8!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0477 X(o=-0.048,f=-0.41) USER MOD Single : A 37 LYS NZ :NH3+ -152:sc= -0.0966 (180deg=-0.558) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -161:sc= -0.0245 (180deg=-0.303) USER MOD Single : A 44 THR OG1 : rot -111:sc= -5.73! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc=-0.00385 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.52 K(o=-2.5,f=-3.7!) USER MOD Single : A 61 TYR OH : rot 146:sc= -0.4 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 55:sc= -3.84! USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 73 ASN : amide:sc= -0.454 X(o=-0.45,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -35.744 -31.593 0.597 1.00 0.00 N ATOM 2 CA GLU A 1 -34.467 -30.869 0.849 1.00 0.00 C ATOM 3 C GLU A 1 -34.522 -29.493 0.182 1.00 0.00 C ATOM 4 O GLU A 1 -33.819 -28.580 0.565 1.00 0.00 O ATOM 5 CB GLU A 1 -33.302 -31.673 0.268 1.00 0.00 C ATOM 6 CG GLU A 1 -32.641 -32.492 1.381 1.00 0.00 C ATOM 7 CD GLU A 1 -33.357 -33.838 1.518 1.00 0.00 C ATOM 8 OE1 GLU A 1 -33.081 -34.718 0.720 1.00 0.00 O ATOM 9 OE2 GLU A 1 -34.167 -33.964 2.422 1.00 0.00 O ATOM 0 H1 GLU A 1 -35.794 -32.432 1.209 1.00 0.00 H new ATOM 0 H2 GLU A 1 -36.546 -30.965 0.805 1.00 0.00 H new ATOM 0 H3 GLU A 1 -35.785 -31.888 -0.399 1.00 0.00 H new ATOM 0 HA GLU A 1 -34.323 -30.747 1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -33.660 -32.334 -0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -32.573 -31.001 -0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -31.587 -32.650 1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -32.685 -31.947 2.324 1.00 0.00 H new ATOM 18 N ASN A 2 -35.355 -29.336 -0.810 1.00 0.00 N ATOM 19 CA ASN A 2 -35.454 -28.019 -1.498 1.00 0.00 C ATOM 20 C ASN A 2 -36.723 -27.292 -1.028 1.00 0.00 C ATOM 21 O ASN A 2 -36.902 -27.056 0.151 1.00 0.00 O ATOM 22 CB ASN A 2 -35.497 -28.241 -3.011 1.00 0.00 C ATOM 23 CG ASN A 2 -34.160 -28.818 -3.475 1.00 0.00 C ATOM 24 OD1 ASN A 2 -33.775 -29.894 -3.064 1.00 0.00 O ATOM 25 ND2 ASN A 2 -33.429 -28.142 -4.320 1.00 0.00 N ATOM 0 H ASN A 2 -35.971 -30.063 -1.173 1.00 0.00 H new ATOM 0 HA ASN A 2 -34.586 -27.406 -1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -36.309 -28.922 -3.267 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -35.697 -27.300 -3.523 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -32.535 -28.518 -4.635 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -33.753 -27.238 -4.665 1.00 0.00 H new ATOM 32 N LYS A 3 -37.605 -26.930 -1.924 1.00 0.00 N ATOM 33 CA LYS A 3 -38.842 -26.220 -1.496 1.00 0.00 C ATOM 34 C LYS A 3 -38.462 -25.069 -0.564 1.00 0.00 C ATOM 35 O LYS A 3 -39.253 -24.620 0.241 1.00 0.00 O ATOM 36 CB LYS A 3 -39.763 -27.195 -0.759 1.00 0.00 C ATOM 37 CG LYS A 3 -40.769 -27.793 -1.745 1.00 0.00 C ATOM 38 CD LYS A 3 -41.768 -26.719 -2.180 1.00 0.00 C ATOM 39 CE LYS A 3 -43.193 -27.231 -1.961 1.00 0.00 C ATOM 40 NZ LYS A 3 -43.829 -27.511 -3.279 1.00 0.00 N ATOM 0 H LYS A 3 -37.521 -27.095 -2.927 1.00 0.00 H new ATOM 0 HA LYS A 3 -39.361 -25.827 -2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -39.175 -27.988 -0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -40.288 -26.679 0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -40.247 -28.191 -2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -41.296 -28.626 -1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -41.607 -25.804 -1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -41.617 -26.470 -3.230 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -43.176 -28.136 -1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -43.777 -26.491 -1.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -44.798 -27.859 -3.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -43.858 -26.638 -3.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -43.276 -28.232 -3.785 1.00 0.00 H new ATOM 54 N GLU A 4 -37.254 -24.588 -0.669 1.00 0.00 N ATOM 55 CA GLU A 4 -36.814 -23.466 0.207 1.00 0.00 C ATOM 56 C GLU A 4 -36.362 -22.294 -0.664 1.00 0.00 C ATOM 57 O GLU A 4 -36.971 -21.241 -0.677 1.00 0.00 O ATOM 58 CB GLU A 4 -35.647 -23.933 1.077 1.00 0.00 C ATOM 59 CG GLU A 4 -35.225 -22.805 2.020 1.00 0.00 C ATOM 60 CD GLU A 4 -35.555 -23.197 3.461 1.00 0.00 C ATOM 61 OE1 GLU A 4 -34.820 -23.993 4.019 1.00 0.00 O ATOM 62 OE2 GLU A 4 -36.538 -22.694 3.981 1.00 0.00 O ATOM 0 H GLU A 4 -36.550 -24.925 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 4 -37.640 -23.150 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -35.938 -24.812 1.653 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -34.807 -24.228 0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -34.157 -22.613 1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -35.741 -21.882 1.755 1.00 0.00 H new ATOM 69 N GLU A 5 -35.295 -22.469 -1.391 1.00 0.00 N ATOM 70 CA GLU A 5 -34.796 -21.372 -2.265 1.00 0.00 C ATOM 71 C GLU A 5 -34.128 -21.985 -3.496 1.00 0.00 C ATOM 72 O GLU A 5 -34.770 -22.263 -4.490 1.00 0.00 O ATOM 73 CB GLU A 5 -33.777 -20.532 -1.489 1.00 0.00 C ATOM 74 CG GLU A 5 -34.510 -19.443 -0.703 1.00 0.00 C ATOM 75 CD GLU A 5 -34.852 -18.281 -1.638 1.00 0.00 C ATOM 76 OE1 GLU A 5 -35.411 -18.540 -2.691 1.00 0.00 O ATOM 77 OE2 GLU A 5 -34.548 -17.154 -1.284 1.00 0.00 O ATOM 0 H GLU A 5 -34.745 -23.328 -1.418 1.00 0.00 H new ATOM 0 HA GLU A 5 -35.624 -20.736 -2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -33.208 -21.167 -0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -33.062 -20.081 -2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -35.420 -19.849 -0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -33.887 -19.091 0.119 1.00 0.00 H new ATOM 84 N THR A 6 -32.845 -22.211 -3.433 1.00 0.00 N ATOM 85 CA THR A 6 -32.129 -22.820 -4.588 1.00 0.00 C ATOM 86 C THR A 6 -30.622 -22.820 -4.300 1.00 0.00 C ATOM 87 O THR A 6 -30.021 -23.871 -4.194 1.00 0.00 O ATOM 88 CB THR A 6 -32.427 -22.038 -5.874 1.00 0.00 C ATOM 89 OG1 THR A 6 -33.152 -20.856 -5.561 1.00 0.00 O ATOM 90 CG2 THR A 6 -33.255 -22.907 -6.821 1.00 0.00 C ATOM 0 H THR A 6 -32.259 -21.998 -2.626 1.00 0.00 H new ATOM 0 HA THR A 6 -32.472 -23.845 -4.728 1.00 0.00 H new ATOM 0 HB THR A 6 -31.487 -21.768 -6.355 1.00 0.00 H new ATOM 0 HG1 THR A 6 -34.113 -21.038 -5.616 1.00 0.00 H new ATOM 0 HG21 THR A 6 -33.466 -22.351 -7.734 1.00 0.00 H new ATOM 0 HG22 THR A 6 -32.697 -23.810 -7.067 1.00 0.00 H new ATOM 0 HG23 THR A 6 -34.193 -23.180 -6.338 1.00 0.00 H new ATOM 98 N PRO A 7 -30.052 -21.648 -4.160 1.00 0.00 N ATOM 99 CA PRO A 7 -28.614 -21.515 -3.862 1.00 0.00 C ATOM 100 C PRO A 7 -28.322 -22.067 -2.463 1.00 0.00 C ATOM 101 O PRO A 7 -28.904 -21.635 -1.487 1.00 0.00 O ATOM 102 CB PRO A 7 -28.346 -20.005 -3.889 1.00 0.00 C ATOM 103 CG PRO A 7 -29.712 -19.291 -4.044 1.00 0.00 C ATOM 104 CD PRO A 7 -30.776 -20.370 -4.295 1.00 0.00 C ATOM 0 HA PRO A 7 -27.991 -22.061 -4.571 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -27.850 -19.688 -2.972 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -27.683 -19.748 -4.716 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -29.950 -18.721 -3.146 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -29.682 -18.583 -4.872 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -31.591 -20.298 -3.574 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -31.218 -20.268 -5.286 1.00 0.00 H new ATOM 112 N GLU A 8 -27.421 -23.003 -2.350 1.00 0.00 N ATOM 113 CA GLU A 8 -27.100 -23.552 -1.003 1.00 0.00 C ATOM 114 C GLU A 8 -26.921 -22.383 -0.032 1.00 0.00 C ATOM 115 O GLU A 8 -27.135 -22.506 1.157 1.00 0.00 O ATOM 116 CB GLU A 8 -25.809 -24.374 -1.075 1.00 0.00 C ATOM 117 CG GLU A 8 -24.775 -23.635 -1.927 1.00 0.00 C ATOM 118 CD GLU A 8 -23.368 -24.086 -1.529 1.00 0.00 C ATOM 119 OE1 GLU A 8 -23.260 -25.096 -0.852 1.00 0.00 O ATOM 120 OE2 GLU A 8 -22.422 -23.413 -1.909 1.00 0.00 O ATOM 0 H GLU A 8 -26.897 -23.409 -3.125 1.00 0.00 H new ATOM 0 HA GLU A 8 -27.907 -24.199 -0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -25.416 -24.541 -0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -26.014 -25.355 -1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -24.948 -23.837 -2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -24.876 -22.559 -1.788 1.00 0.00 H new ATOM 127 N THR A 9 -26.541 -21.243 -0.542 1.00 0.00 N ATOM 128 CA THR A 9 -26.357 -20.050 0.331 1.00 0.00 C ATOM 129 C THR A 9 -27.257 -18.920 -0.188 1.00 0.00 C ATOM 130 O THR A 9 -26.927 -18.271 -1.162 1.00 0.00 O ATOM 131 CB THR A 9 -24.893 -19.602 0.284 1.00 0.00 C ATOM 132 OG1 THR A 9 -24.233 -20.254 -0.791 1.00 0.00 O ATOM 133 CG2 THR A 9 -24.201 -19.962 1.601 1.00 0.00 C ATOM 0 H THR A 9 -26.349 -21.087 -1.532 1.00 0.00 H new ATOM 0 HA THR A 9 -26.622 -20.295 1.359 1.00 0.00 H new ATOM 0 HB THR A 9 -24.850 -18.523 0.137 1.00 0.00 H new ATOM 0 HG1 THR A 9 -23.297 -19.966 -0.823 1.00 0.00 H new ATOM 0 HG21 THR A 9 -23.160 -19.642 1.564 1.00 0.00 H new ATOM 0 HG22 THR A 9 -24.706 -19.460 2.426 1.00 0.00 H new ATOM 0 HG23 THR A 9 -24.244 -21.041 1.752 1.00 0.00 H new ATOM 141 N PRO A 10 -28.376 -18.727 0.467 1.00 0.00 N ATOM 142 CA PRO A 10 -29.343 -17.686 0.071 1.00 0.00 C ATOM 143 C PRO A 10 -28.677 -16.309 0.056 1.00 0.00 C ATOM 144 O PRO A 10 -28.197 -15.829 1.064 1.00 0.00 O ATOM 145 CB PRO A 10 -30.445 -17.746 1.137 1.00 0.00 C ATOM 146 CG PRO A 10 -30.110 -18.918 2.094 1.00 0.00 C ATOM 147 CD PRO A 10 -28.764 -19.514 1.651 1.00 0.00 C ATOM 0 HA PRO A 10 -29.735 -17.850 -0.933 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -30.497 -16.806 1.687 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -31.419 -17.898 0.672 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -30.052 -18.566 3.124 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -30.893 -19.675 2.060 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -28.017 -19.435 2.441 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -28.860 -20.572 1.408 1.00 0.00 H new ATOM 155 N GLU A 11 -28.647 -15.673 -1.081 1.00 0.00 N ATOM 156 CA GLU A 11 -28.015 -14.327 -1.169 1.00 0.00 C ATOM 157 C GLU A 11 -28.708 -13.371 -0.195 1.00 0.00 C ATOM 158 O GLU A 11 -29.683 -12.729 -0.531 1.00 0.00 O ATOM 159 CB GLU A 11 -28.155 -13.793 -2.596 1.00 0.00 C ATOM 160 CG GLU A 11 -29.625 -13.842 -3.020 1.00 0.00 C ATOM 161 CD GLU A 11 -29.738 -14.488 -4.402 1.00 0.00 C ATOM 162 OE1 GLU A 11 -29.116 -13.983 -5.322 1.00 0.00 O ATOM 163 OE2 GLU A 11 -30.443 -15.477 -4.517 1.00 0.00 O ATOM 0 H GLU A 11 -29.034 -16.028 -1.956 1.00 0.00 H new ATOM 0 HA GLU A 11 -26.959 -14.403 -0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -27.784 -12.769 -2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -27.549 -14.388 -3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -30.205 -14.410 -2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -30.041 -12.835 -3.043 1.00 0.00 H new ATOM 170 N THR A 12 -28.215 -13.269 1.010 1.00 0.00 N ATOM 171 CA THR A 12 -28.854 -12.351 1.995 1.00 0.00 C ATOM 172 C THR A 12 -28.498 -10.905 1.651 1.00 0.00 C ATOM 173 O THR A 12 -27.364 -10.589 1.353 1.00 0.00 O ATOM 174 CB THR A 12 -28.356 -12.676 3.406 1.00 0.00 C ATOM 175 OG1 THR A 12 -27.171 -13.458 3.322 1.00 0.00 O ATOM 176 CG2 THR A 12 -29.433 -13.454 4.161 1.00 0.00 C ATOM 0 H THR A 12 -27.401 -13.779 1.353 1.00 0.00 H new ATOM 0 HA THR A 12 -29.936 -12.480 1.956 1.00 0.00 H new ATOM 0 HB THR A 12 -28.141 -11.750 3.938 1.00 0.00 H new ATOM 0 HG1 THR A 12 -26.851 -13.665 4.225 1.00 0.00 H new ATOM 0 HG21 THR A 12 -29.078 -13.685 5.165 1.00 0.00 H new ATOM 0 HG22 THR A 12 -30.339 -12.851 4.226 1.00 0.00 H new ATOM 0 HG23 THR A 12 -29.651 -14.381 3.631 1.00 0.00 H new ATOM 184 N ASP A 13 -29.460 -10.025 1.687 1.00 0.00 N ATOM 185 CA ASP A 13 -29.178 -8.601 1.358 1.00 0.00 C ATOM 186 C ASP A 13 -28.452 -8.531 0.013 1.00 0.00 C ATOM 187 O ASP A 13 -27.716 -7.602 -0.256 1.00 0.00 O ATOM 188 CB ASP A 13 -28.298 -7.984 2.448 1.00 0.00 C ATOM 189 CG ASP A 13 -28.833 -6.599 2.819 1.00 0.00 C ATOM 190 OD1 ASP A 13 -29.743 -6.533 3.627 1.00 0.00 O ATOM 191 OD2 ASP A 13 -28.323 -5.627 2.288 1.00 0.00 O ATOM 0 H ASP A 13 -30.429 -10.231 1.930 1.00 0.00 H new ATOM 0 HA ASP A 13 -30.115 -8.048 1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -28.286 -8.628 3.328 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -27.269 -7.905 2.097 1.00 0.00 H new ATOM 196 N SER A 14 -28.659 -9.513 -0.829 1.00 0.00 N ATOM 197 CA SER A 14 -27.992 -9.529 -2.164 1.00 0.00 C ATOM 198 C SER A 14 -26.577 -10.093 -2.023 1.00 0.00 C ATOM 199 O SER A 14 -26.277 -11.167 -2.507 1.00 0.00 O ATOM 200 CB SER A 14 -27.920 -8.109 -2.728 1.00 0.00 C ATOM 201 OG SER A 14 -29.062 -7.377 -2.305 1.00 0.00 O ATOM 0 H SER A 14 -29.267 -10.311 -0.645 1.00 0.00 H new ATOM 0 HA SER A 14 -28.569 -10.156 -2.843 1.00 0.00 H new ATOM 0 HB2 SER A 14 -27.010 -7.615 -2.386 1.00 0.00 H new ATOM 0 HB3 SER A 14 -27.876 -8.140 -3.817 1.00 0.00 H new ATOM 0 HG SER A 14 -28.836 -6.848 -1.511 1.00 0.00 H new ATOM 207 N GLU A 15 -25.711 -9.375 -1.365 1.00 0.00 N ATOM 208 CA GLU A 15 -24.312 -9.857 -1.188 1.00 0.00 C ATOM 209 C GLU A 15 -23.440 -8.711 -0.665 1.00 0.00 C ATOM 210 O GLU A 15 -22.913 -7.925 -1.426 1.00 0.00 O ATOM 211 CB GLU A 15 -23.762 -10.333 -2.532 1.00 0.00 C ATOM 212 CG GLU A 15 -23.812 -11.859 -2.591 1.00 0.00 C ATOM 213 CD GLU A 15 -22.411 -12.426 -2.359 1.00 0.00 C ATOM 214 OE1 GLU A 15 -21.497 -11.638 -2.176 1.00 0.00 O ATOM 215 OE2 GLU A 15 -22.274 -13.638 -2.368 1.00 0.00 O ATOM 0 H GLU A 15 -25.913 -8.470 -0.940 1.00 0.00 H new ATOM 0 HA GLU A 15 -24.301 -10.682 -0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -24.347 -9.908 -3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -22.736 -9.987 -2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -24.499 -12.240 -1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -24.191 -12.184 -3.560 1.00 0.00 H new ATOM 222 N GLU A 16 -23.279 -8.613 0.625 1.00 0.00 N ATOM 223 CA GLU A 16 -22.437 -7.519 1.189 1.00 0.00 C ATOM 224 C GLU A 16 -23.052 -6.163 0.843 1.00 0.00 C ATOM 225 O GLU A 16 -24.103 -6.079 0.238 1.00 0.00 O ATOM 226 CB GLU A 16 -21.026 -7.603 0.602 1.00 0.00 C ATOM 227 CG GLU A 16 -20.132 -8.434 1.526 1.00 0.00 C ATOM 228 CD GLU A 16 -20.164 -7.845 2.938 1.00 0.00 C ATOM 229 OE1 GLU A 16 -20.560 -6.699 3.073 1.00 0.00 O ATOM 230 OE2 GLU A 16 -19.794 -8.552 3.861 1.00 0.00 O ATOM 0 H GLU A 16 -23.693 -9.242 1.313 1.00 0.00 H new ATOM 0 HA GLU A 16 -22.388 -7.627 2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -21.060 -8.055 -0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.611 -6.602 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -20.474 -9.469 1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.110 -8.443 1.148 1.00 0.00 H new ATOM 237 N GLU A 17 -22.407 -5.100 1.234 1.00 0.00 N ATOM 238 CA GLU A 17 -22.951 -3.744 0.941 1.00 0.00 C ATOM 239 C GLU A 17 -22.754 -3.403 -0.538 1.00 0.00 C ATOM 240 O GLU A 17 -23.695 -3.376 -1.306 1.00 0.00 O ATOM 241 CB GLU A 17 -22.227 -2.708 1.799 1.00 0.00 C ATOM 242 CG GLU A 17 -23.234 -1.676 2.309 1.00 0.00 C ATOM 243 CD GLU A 17 -22.997 -1.422 3.799 1.00 0.00 C ATOM 244 OE1 GLU A 17 -22.452 -2.299 4.449 1.00 0.00 O ATOM 245 OE2 GLU A 17 -23.363 -0.355 4.265 1.00 0.00 O ATOM 0 H GLU A 17 -21.524 -5.111 1.745 1.00 0.00 H new ATOM 0 HA GLU A 17 -24.017 -3.734 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -21.734 -3.197 2.639 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -21.449 -2.216 1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -23.132 -0.746 1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -24.251 -2.034 2.148 1.00 0.00 H new ATOM 252 N VAL A 18 -21.545 -3.129 -0.944 1.00 0.00 N ATOM 253 CA VAL A 18 -21.309 -2.776 -2.371 1.00 0.00 C ATOM 254 C VAL A 18 -19.935 -3.294 -2.823 1.00 0.00 C ATOM 255 O VAL A 18 -19.662 -4.475 -2.751 1.00 0.00 O ATOM 256 CB VAL A 18 -21.383 -1.257 -2.522 1.00 0.00 C ATOM 257 CG1 VAL A 18 -21.480 -0.892 -4.004 1.00 0.00 C ATOM 258 CG2 VAL A 18 -22.619 -0.733 -1.788 1.00 0.00 C ATOM 0 H VAL A 18 -20.714 -3.134 -0.352 1.00 0.00 H new ATOM 0 HA VAL A 18 -22.070 -3.241 -2.997 1.00 0.00 H new ATOM 0 HB VAL A 18 -20.486 -0.807 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.533 0.192 -4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -20.601 -1.265 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -22.376 -1.342 -4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -22.673 0.350 -1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -23.514 -1.185 -2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.551 -0.991 -0.731 1.00 0.00 H new ATOM 268 N THR A 19 -19.071 -2.433 -3.306 1.00 0.00 N ATOM 269 CA THR A 19 -17.735 -2.903 -3.772 1.00 0.00 C ATOM 270 C THR A 19 -16.769 -1.717 -3.826 1.00 0.00 C ATOM 271 O THR A 19 -17.171 -0.583 -3.899 1.00 0.00 O ATOM 272 CB THR A 19 -17.899 -3.530 -5.172 1.00 0.00 C ATOM 273 OG1 THR A 19 -17.161 -4.740 -5.235 1.00 0.00 O ATOM 274 CG2 THR A 19 -17.408 -2.578 -6.275 1.00 0.00 C ATOM 0 H THR A 19 -19.235 -1.430 -3.396 1.00 0.00 H new ATOM 0 HA THR A 19 -17.331 -3.647 -3.086 1.00 0.00 H new ATOM 0 HB THR A 19 -18.959 -3.724 -5.335 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.731 -5.486 -4.952 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.538 -3.051 -7.248 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.985 -1.654 -6.241 1.00 0.00 H new ATOM 0 HG23 THR A 19 -16.353 -2.353 -6.119 1.00 0.00 H new ATOM 282 N ILE A 20 -15.499 -1.977 -3.801 1.00 0.00 N ATOM 283 CA ILE A 20 -14.515 -0.873 -3.865 1.00 0.00 C ATOM 284 C ILE A 20 -13.175 -1.442 -4.326 1.00 0.00 C ATOM 285 O ILE A 20 -12.872 -2.594 -4.089 1.00 0.00 O ATOM 286 CB ILE A 20 -14.408 -0.249 -2.481 1.00 0.00 C ATOM 287 CG1 ILE A 20 -13.740 1.124 -2.586 1.00 0.00 C ATOM 288 CG2 ILE A 20 -13.606 -1.156 -1.548 1.00 0.00 C ATOM 289 CD1 ILE A 20 -14.671 2.188 -2.019 1.00 0.00 C ATOM 0 H ILE A 20 -15.098 -2.913 -3.739 1.00 0.00 H new ATOM 0 HA ILE A 20 -14.823 -0.103 -4.572 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.410 -0.130 -2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.796 1.124 -2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.506 1.348 -3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -13.539 -0.696 -0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.103 -2.122 -1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -12.603 -1.298 -1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.195 3.166 -2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.603 2.194 -2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.882 1.967 -0.973 1.00 0.00 H new ATOM 301 N LYS A 21 -12.376 -0.669 -5.003 1.00 0.00 N ATOM 302 CA LYS A 21 -11.083 -1.223 -5.485 1.00 0.00 C ATOM 303 C LYS A 21 -9.937 -0.240 -5.243 1.00 0.00 C ATOM 304 O LYS A 21 -10.111 0.963 -5.243 1.00 0.00 O ATOM 305 CB LYS A 21 -11.194 -1.517 -6.979 1.00 0.00 C ATOM 306 CG LYS A 21 -10.680 -2.930 -7.264 1.00 0.00 C ATOM 307 CD LYS A 21 -10.842 -3.248 -8.752 1.00 0.00 C ATOM 308 CE LYS A 21 -10.398 -2.042 -9.586 1.00 0.00 C ATOM 309 NZ LYS A 21 -8.967 -1.739 -9.299 1.00 0.00 N ATOM 0 H LYS A 21 -12.557 0.306 -5.241 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.869 -2.138 -4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.231 -1.424 -7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.617 -0.788 -7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.632 -3.011 -6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.231 -3.655 -6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.247 -4.123 -9.014 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.882 -3.492 -8.971 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.531 -2.252 -10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.018 -1.177 -9.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.904 -0.875 -8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.542 -2.533 -8.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.456 -1.598 -10.194 1.00 0.00 H new ATOM 323 N ALA A 22 -8.760 -0.767 -5.049 1.00 0.00 N ATOM 324 CA ALA A 22 -7.559 0.080 -4.818 1.00 0.00 C ATOM 325 C ALA A 22 -6.347 -0.646 -5.405 1.00 0.00 C ATOM 326 O ALA A 22 -5.961 -1.701 -4.942 1.00 0.00 O ATOM 327 CB ALA A 22 -7.354 0.281 -3.319 1.00 0.00 C ATOM 0 H ALA A 22 -8.578 -1.771 -5.041 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.686 1.054 -5.291 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.474 0.902 -3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.230 0.772 -2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.212 -0.687 -2.838 1.00 0.00 H new ATOM 333 N ASN A 23 -5.762 -0.106 -6.434 1.00 0.00 N ATOM 334 CA ASN A 23 -4.598 -0.782 -7.068 1.00 0.00 C ATOM 335 C ASN A 23 -3.294 -0.477 -6.327 1.00 0.00 C ATOM 336 O ASN A 23 -3.279 0.171 -5.299 1.00 0.00 O ATOM 337 CB ASN A 23 -4.491 -0.329 -8.520 1.00 0.00 C ATOM 338 CG ASN A 23 -5.014 -1.430 -9.439 1.00 0.00 C ATOM 339 OD1 ASN A 23 -6.284 -1.468 -9.722 1.00 0.00 O flip ATOM 340 ND2 ASN A 23 -4.259 -2.261 -9.903 1.00 0.00 N flip ATOM 0 H ASN A 23 -6.039 0.776 -6.865 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.756 -1.859 -7.020 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.064 0.586 -8.669 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.454 -0.099 -8.764 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.264 -2.228 -9.679 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.620 -2.992 -10.517 1.00 0.00 H new ATOM 347 N LEU A 24 -2.199 -0.962 -6.854 1.00 0.00 N ATOM 348 CA LEU A 24 -0.872 -0.740 -6.212 1.00 0.00 C ATOM 349 C LEU A 24 0.211 -0.761 -7.297 1.00 0.00 C ATOM 350 O LEU A 24 0.959 -1.711 -7.418 1.00 0.00 O ATOM 351 CB LEU A 24 -0.598 -1.859 -5.214 1.00 0.00 C ATOM 352 CG LEU A 24 -1.735 -1.923 -4.198 1.00 0.00 C ATOM 353 CD1 LEU A 24 -1.494 -3.099 -3.265 1.00 0.00 C ATOM 354 CD2 LEU A 24 -1.775 -0.635 -3.374 1.00 0.00 C ATOM 0 H LEU A 24 -2.170 -1.510 -7.714 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.868 0.219 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.508 -2.812 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.350 -1.683 -4.705 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.682 -2.042 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.301 -3.155 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.464 -4.022 -3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.544 -2.964 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.590 -0.690 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.830 -0.511 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.934 0.216 -4.036 1.00 0.00 H new ATOM 366 N ILE A 25 0.288 0.266 -8.096 1.00 0.00 N ATOM 367 CA ILE A 25 1.308 0.294 -9.187 1.00 0.00 C ATOM 368 C ILE A 25 2.661 0.745 -8.632 1.00 0.00 C ATOM 369 O ILE A 25 2.769 1.782 -8.013 1.00 0.00 O ATOM 370 CB ILE A 25 0.860 1.286 -10.263 1.00 0.00 C ATOM 371 CG1 ILE A 25 -0.316 0.705 -11.052 1.00 0.00 C ATOM 372 CG2 ILE A 25 2.020 1.564 -11.224 1.00 0.00 C ATOM 373 CD1 ILE A 25 -1.594 0.772 -10.210 1.00 0.00 C ATOM 0 H ILE A 25 -0.311 1.090 -8.042 1.00 0.00 H new ATOM 0 HA ILE A 25 1.407 -0.706 -9.609 1.00 0.00 H new ATOM 0 HB ILE A 25 0.551 2.214 -9.781 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.452 1.260 -11.980 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.105 -0.328 -11.327 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.698 2.271 -11.989 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.858 1.986 -10.670 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.331 0.633 -11.698 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.426 0.357 -10.778 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.457 0.197 -9.294 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.809 1.810 -9.957 1.00 0.00 H new ATOM 385 N PHE A 26 3.700 -0.012 -8.869 1.00 0.00 N ATOM 386 CA PHE A 26 5.039 0.399 -8.368 1.00 0.00 C ATOM 387 C PHE A 26 5.933 0.778 -9.540 1.00 0.00 C ATOM 388 O PHE A 26 5.670 0.460 -10.683 1.00 0.00 O ATOM 389 CB PHE A 26 5.691 -0.737 -7.598 1.00 0.00 C ATOM 390 CG PHE A 26 5.009 -0.913 -6.260 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.411 -0.142 -5.159 1.00 0.00 C ATOM 392 CD2 PHE A 26 3.974 -1.843 -6.118 1.00 0.00 C ATOM 393 CE1 PHE A 26 4.778 -0.303 -3.921 1.00 0.00 C ATOM 394 CE2 PHE A 26 3.340 -2.004 -4.879 1.00 0.00 C ATOM 395 CZ PHE A 26 3.743 -1.234 -3.781 1.00 0.00 C ATOM 0 H PHE A 26 3.677 -0.892 -9.385 1.00 0.00 H new ATOM 0 HA PHE A 26 4.910 1.255 -7.705 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.626 -1.661 -8.173 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.750 -0.527 -7.451 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.210 0.577 -5.267 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.663 -2.438 -6.964 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.088 0.291 -3.074 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.540 -2.722 -4.771 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.255 -1.359 -2.826 1.00 0.00 H new ATOM 405 N ALA A 27 6.989 1.461 -9.243 1.00 0.00 N ATOM 406 CA ALA A 27 7.944 1.893 -10.302 1.00 0.00 C ATOM 407 C ALA A 27 8.931 0.767 -10.615 1.00 0.00 C ATOM 408 O ALA A 27 9.684 0.841 -11.565 1.00 0.00 O ATOM 409 CB ALA A 27 8.711 3.120 -9.816 1.00 0.00 C ATOM 0 H ALA A 27 7.242 1.747 -8.297 1.00 0.00 H new ATOM 0 HA ALA A 27 7.388 2.137 -11.207 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.411 3.440 -10.587 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.010 3.927 -9.605 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.260 2.870 -8.908 1.00 0.00 H new ATOM 415 N ASN A 28 8.946 -0.268 -9.822 1.00 0.00 N ATOM 416 CA ASN A 28 9.907 -1.380 -10.085 1.00 0.00 C ATOM 417 C ASN A 28 9.299 -2.350 -11.097 1.00 0.00 C ATOM 418 O ASN A 28 9.401 -2.156 -12.292 1.00 0.00 O ATOM 419 CB ASN A 28 10.249 -2.133 -8.787 1.00 0.00 C ATOM 420 CG ASN A 28 9.168 -1.922 -7.722 1.00 0.00 C ATOM 421 OD1 ASN A 28 9.031 -0.841 -7.182 1.00 0.00 O ATOM 422 ND2 ASN A 28 8.397 -2.919 -7.386 1.00 0.00 N ATOM 0 H ASN A 28 8.341 -0.394 -9.010 1.00 0.00 H new ATOM 0 HA ASN A 28 10.827 -0.954 -10.486 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.353 -3.197 -8.998 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.210 -1.788 -8.406 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.681 -2.791 -6.671 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.511 -3.826 -7.838 1.00 0.00 H new ATOM 429 N GLY A 29 8.671 -3.393 -10.634 1.00 0.00 N ATOM 430 CA GLY A 29 8.062 -4.370 -11.578 1.00 0.00 C ATOM 431 C GLY A 29 7.114 -5.287 -10.810 1.00 0.00 C ATOM 432 O GLY A 29 6.945 -6.443 -11.145 1.00 0.00 O ATOM 0 H GLY A 29 8.553 -3.611 -9.645 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.521 -3.845 -12.365 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.841 -4.957 -12.064 1.00 0.00 H new ATOM 436 N SER A 30 6.491 -4.783 -9.781 1.00 0.00 N ATOM 437 CA SER A 30 5.554 -5.627 -8.994 1.00 0.00 C ATOM 438 C SER A 30 4.223 -4.893 -8.846 1.00 0.00 C ATOM 439 O SER A 30 3.850 -4.473 -7.771 1.00 0.00 O ATOM 440 CB SER A 30 6.144 -5.896 -7.612 1.00 0.00 C ATOM 441 OG SER A 30 6.744 -7.185 -7.599 1.00 0.00 O ATOM 0 H SER A 30 6.591 -3.823 -9.452 1.00 0.00 H new ATOM 0 HA SER A 30 5.396 -6.575 -9.508 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.885 -5.135 -7.366 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.363 -5.838 -6.853 1.00 0.00 H new ATOM 0 HG SER A 30 7.125 -7.359 -6.713 1.00 0.00 H new ATOM 447 N THR A 31 3.505 -4.737 -9.920 1.00 0.00 N ATOM 448 CA THR A 31 2.199 -4.032 -9.842 1.00 0.00 C ATOM 449 C THR A 31 1.149 -4.996 -9.294 1.00 0.00 C ATOM 450 O THR A 31 1.227 -6.190 -9.500 1.00 0.00 O ATOM 451 CB THR A 31 1.780 -3.567 -11.240 1.00 0.00 C ATOM 452 OG1 THR A 31 1.088 -4.620 -11.899 1.00 0.00 O ATOM 453 CG2 THR A 31 3.021 -3.185 -12.047 1.00 0.00 C ATOM 0 H THR A 31 3.766 -5.067 -10.849 1.00 0.00 H new ATOM 0 HA THR A 31 2.288 -3.165 -9.187 1.00 0.00 H new ATOM 0 HB THR A 31 1.126 -2.699 -11.154 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.817 -4.324 -12.793 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.721 -2.854 -13.041 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.550 -2.378 -11.541 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.678 -4.050 -12.135 1.00 0.00 H new ATOM 461 N GLN A 32 0.168 -4.497 -8.597 1.00 0.00 N ATOM 462 CA GLN A 32 -0.871 -5.406 -8.047 1.00 0.00 C ATOM 463 C GLN A 32 -2.145 -4.624 -7.746 1.00 0.00 C ATOM 464 O GLN A 32 -2.110 -3.509 -7.271 1.00 0.00 O ATOM 465 CB GLN A 32 -0.358 -6.048 -6.761 1.00 0.00 C ATOM 466 CG GLN A 32 -1.004 -7.423 -6.580 1.00 0.00 C ATOM 467 CD GLN A 32 -0.104 -8.299 -5.707 1.00 0.00 C ATOM 468 OE1 GLN A 32 1.077 -8.423 -5.963 1.00 0.00 O ATOM 469 NE2 GLN A 32 -0.617 -8.915 -4.676 1.00 0.00 N ATOM 0 H GLN A 32 0.042 -3.507 -8.386 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.091 -6.179 -8.783 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.727 -6.147 -6.800 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.590 -5.411 -5.907 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.985 -7.317 -6.118 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.158 -7.895 -7.550 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.609 -8.811 -4.461 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.026 -9.500 -4.086 1.00 0.00 H new ATOM 478 N THR A 33 -3.269 -5.217 -8.007 1.00 0.00 N ATOM 479 CA THR A 33 -4.564 -4.533 -7.731 1.00 0.00 C ATOM 480 C THR A 33 -5.159 -5.112 -6.445 1.00 0.00 C ATOM 481 O THR A 33 -4.832 -6.210 -6.043 1.00 0.00 O ATOM 482 CB THR A 33 -5.529 -4.770 -8.896 1.00 0.00 C ATOM 483 OG1 THR A 33 -6.867 -4.676 -8.427 1.00 0.00 O ATOM 484 CG2 THR A 33 -5.293 -6.160 -9.492 1.00 0.00 C ATOM 0 H THR A 33 -3.352 -6.153 -8.403 1.00 0.00 H new ATOM 0 HA THR A 33 -4.402 -3.461 -7.617 1.00 0.00 H new ATOM 0 HB THR A 33 -5.357 -4.017 -9.665 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.486 -4.826 -9.172 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.983 -6.323 -10.320 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.267 -6.231 -9.854 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.461 -6.917 -8.726 1.00 0.00 H new ATOM 492 N ALA A 34 -6.028 -4.391 -5.792 1.00 0.00 N ATOM 493 CA ALA A 34 -6.630 -4.919 -4.534 1.00 0.00 C ATOM 494 C ALA A 34 -8.116 -4.564 -4.499 1.00 0.00 C ATOM 495 O ALA A 34 -8.586 -3.766 -5.281 1.00 0.00 O ATOM 496 CB ALA A 34 -5.924 -4.296 -3.327 1.00 0.00 C ATOM 0 H ALA A 34 -6.347 -3.464 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.513 -6.002 -4.499 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.365 -4.683 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.864 -4.549 -3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.040 -3.213 -3.357 1.00 0.00 H new ATOM 502 N GLU A 35 -8.866 -5.154 -3.610 1.00 0.00 N ATOM 503 CA GLU A 35 -10.320 -4.835 -3.553 1.00 0.00 C ATOM 504 C GLU A 35 -10.903 -5.265 -2.206 1.00 0.00 C ATOM 505 O GLU A 35 -10.668 -6.363 -1.739 1.00 0.00 O ATOM 506 CB GLU A 35 -11.040 -5.578 -4.677 1.00 0.00 C ATOM 507 CG GLU A 35 -10.657 -7.058 -4.634 1.00 0.00 C ATOM 508 CD GLU A 35 -9.703 -7.371 -5.787 1.00 0.00 C ATOM 509 OE1 GLU A 35 -10.097 -7.181 -6.925 1.00 0.00 O ATOM 510 OE2 GLU A 35 -8.592 -7.796 -5.513 1.00 0.00 O ATOM 0 H GLU A 35 -8.539 -5.837 -2.926 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.455 -3.760 -3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.119 -5.467 -4.569 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.771 -5.149 -5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.183 -7.295 -3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.550 -7.678 -4.708 1.00 0.00 H new ATOM 517 N PHE A 36 -11.691 -4.423 -1.591 1.00 0.00 N ATOM 518 CA PHE A 36 -12.315 -4.804 -0.300 1.00 0.00 C ATOM 519 C PHE A 36 -13.824 -4.567 -0.392 1.00 0.00 C ATOM 520 O PHE A 36 -14.324 -3.535 0.009 1.00 0.00 O ATOM 521 CB PHE A 36 -11.752 -3.980 0.857 1.00 0.00 C ATOM 522 CG PHE A 36 -10.505 -3.216 0.463 1.00 0.00 C ATOM 523 CD1 PHE A 36 -10.569 -2.210 -0.506 1.00 0.00 C ATOM 524 CD2 PHE A 36 -9.288 -3.492 1.103 1.00 0.00 C ATOM 525 CE1 PHE A 36 -9.420 -1.482 -0.840 1.00 0.00 C ATOM 526 CE2 PHE A 36 -8.135 -2.768 0.766 1.00 0.00 C ATOM 527 CZ PHE A 36 -8.201 -1.762 -0.203 1.00 0.00 C ATOM 0 H PHE A 36 -11.926 -3.490 -1.930 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.097 -5.855 -0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.511 -3.279 1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.522 -4.641 1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.506 -1.994 -0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.239 -4.264 1.857 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.472 -0.705 -1.588 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.197 -2.987 1.254 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.315 -1.201 -0.461 1.00 0.00 H new ATOM 537 N LYS A 37 -14.555 -5.511 -0.919 1.00 0.00 N ATOM 538 CA LYS A 37 -16.029 -5.329 -1.035 1.00 0.00 C ATOM 539 C LYS A 37 -16.682 -5.606 0.321 1.00 0.00 C ATOM 540 O LYS A 37 -16.302 -6.511 1.036 1.00 0.00 O ATOM 541 CB LYS A 37 -16.590 -6.289 -2.085 1.00 0.00 C ATOM 542 CG LYS A 37 -15.543 -6.541 -3.173 1.00 0.00 C ATOM 543 CD LYS A 37 -14.999 -7.965 -3.041 1.00 0.00 C ATOM 544 CE LYS A 37 -14.396 -8.405 -4.376 1.00 0.00 C ATOM 545 NZ LYS A 37 -15.490 -8.618 -5.366 1.00 0.00 N ATOM 0 H LYS A 37 -14.196 -6.398 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.245 -4.305 -1.340 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.873 -7.231 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.494 -5.870 -2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.987 -6.400 -4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.730 -5.820 -3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.243 -8.006 -2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.799 -8.646 -2.749 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.702 -7.648 -4.741 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.825 -9.324 -4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.192 -9.328 -6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.343 -8.953 -4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.699 -7.722 -5.851 1.00 0.00 H new ATOM 559 N GLY A 38 -17.657 -4.820 0.682 1.00 0.00 N ATOM 560 CA GLY A 38 -18.335 -5.010 1.995 1.00 0.00 C ATOM 561 C GLY A 38 -18.750 -3.639 2.527 1.00 0.00 C ATOM 562 O GLY A 38 -19.753 -3.491 3.195 1.00 0.00 O ATOM 0 H GLY A 38 -18.016 -4.048 0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.208 -5.653 1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.665 -5.503 2.700 1.00 0.00 H new ATOM 566 N THR A 39 -17.980 -2.633 2.217 1.00 0.00 N ATOM 567 CA THR A 39 -18.309 -1.256 2.671 1.00 0.00 C ATOM 568 C THR A 39 -18.166 -0.317 1.475 1.00 0.00 C ATOM 569 O THR A 39 -17.374 -0.563 0.585 1.00 0.00 O ATOM 570 CB THR A 39 -17.337 -0.838 3.775 1.00 0.00 C ATOM 571 OG1 THR A 39 -16.807 -1.998 4.401 1.00 0.00 O ATOM 572 CG2 THR A 39 -18.075 0.014 4.808 1.00 0.00 C ATOM 0 H THR A 39 -17.128 -2.709 1.662 1.00 0.00 H new ATOM 0 HA THR A 39 -19.325 -1.215 3.063 1.00 0.00 H new ATOM 0 HB THR A 39 -16.522 -0.256 3.344 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.182 -1.732 5.108 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.383 0.312 5.595 1.00 0.00 H new ATOM 0 HG22 THR A 39 -18.479 0.903 4.324 1.00 0.00 H new ATOM 0 HG23 THR A 39 -18.890 -0.565 5.242 1.00 0.00 H new ATOM 580 N PHE A 40 -18.923 0.745 1.416 1.00 0.00 N ATOM 581 CA PHE A 40 -18.794 1.647 0.240 1.00 0.00 C ATOM 582 C PHE A 40 -17.527 2.484 0.339 1.00 0.00 C ATOM 583 O PHE A 40 -16.542 2.200 -0.305 1.00 0.00 O ATOM 584 CB PHE A 40 -20.001 2.581 0.115 1.00 0.00 C ATOM 585 CG PHE A 40 -19.850 3.356 -1.174 1.00 0.00 C ATOM 586 CD1 PHE A 40 -18.954 4.430 -1.243 1.00 0.00 C ATOM 587 CD2 PHE A 40 -20.568 2.972 -2.313 1.00 0.00 C ATOM 588 CE1 PHE A 40 -18.774 5.117 -2.445 1.00 0.00 C ATOM 589 CE2 PHE A 40 -20.383 3.659 -3.520 1.00 0.00 C ATOM 590 CZ PHE A 40 -19.484 4.730 -3.586 1.00 0.00 C ATOM 0 H PHE A 40 -19.611 1.022 2.116 1.00 0.00 H new ATOM 0 HA PHE A 40 -18.746 1.013 -0.646 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -20.929 2.009 0.111 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -20.049 3.260 0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -18.401 4.728 -0.364 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -21.263 2.147 -2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -18.086 5.948 -2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -20.934 3.362 -4.400 1.00 0.00 H new ATOM 0 HZ PHE A 40 -19.339 5.257 -4.517 1.00 0.00 H new ATOM 600 N GLU A 41 -17.544 3.531 1.105 1.00 0.00 N ATOM 601 CA GLU A 41 -16.337 4.391 1.183 1.00 0.00 C ATOM 602 C GLU A 41 -15.476 3.998 2.381 1.00 0.00 C ATOM 603 O GLU A 41 -14.304 4.309 2.434 1.00 0.00 O ATOM 604 CB GLU A 41 -16.774 5.848 1.281 1.00 0.00 C ATOM 605 CG GLU A 41 -15.545 6.759 1.252 1.00 0.00 C ATOM 606 CD GLU A 41 -15.205 7.204 2.675 1.00 0.00 C ATOM 607 OE1 GLU A 41 -16.006 7.913 3.261 1.00 0.00 O ATOM 608 OE2 GLU A 41 -14.147 6.828 3.155 1.00 0.00 O ATOM 0 H GLU A 41 -18.334 3.828 1.677 1.00 0.00 H new ATOM 0 HA GLU A 41 -15.733 4.257 0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.440 6.094 0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.335 6.008 2.201 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -14.698 6.231 0.813 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -15.739 7.629 0.624 1.00 0.00 H new ATOM 615 N LYS A 42 -16.023 3.296 3.333 1.00 0.00 N ATOM 616 CA LYS A 42 -15.190 2.879 4.481 1.00 0.00 C ATOM 617 C LYS A 42 -14.049 2.031 3.924 1.00 0.00 C ATOM 618 O LYS A 42 -12.973 1.954 4.487 1.00 0.00 O ATOM 619 CB LYS A 42 -16.021 2.062 5.472 1.00 0.00 C ATOM 620 CG LYS A 42 -15.561 2.379 6.898 1.00 0.00 C ATOM 621 CD LYS A 42 -16.779 2.466 7.822 1.00 0.00 C ATOM 622 CE LYS A 42 -16.314 2.606 9.274 1.00 0.00 C ATOM 623 NZ LYS A 42 -15.748 1.310 9.743 1.00 0.00 N ATOM 0 H LYS A 42 -16.998 2.999 3.362 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.803 3.748 5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.079 2.297 5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.907 0.997 5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.878 1.606 7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.012 3.321 6.913 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -17.398 3.319 7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -17.396 1.574 7.712 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.563 3.392 9.352 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.151 2.900 9.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.732 1.294 10.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.337 0.527 9.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.779 1.202 9.380 1.00 0.00 H new ATOM 637 N ALA A 43 -14.282 1.415 2.793 1.00 0.00 N ATOM 638 CA ALA A 43 -13.228 0.588 2.147 1.00 0.00 C ATOM 639 C ALA A 43 -12.259 1.522 1.432 1.00 0.00 C ATOM 640 O ALA A 43 -11.090 1.234 1.299 1.00 0.00 O ATOM 641 CB ALA A 43 -13.870 -0.361 1.136 1.00 0.00 C ATOM 0 H ALA A 43 -15.167 1.452 2.288 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.698 -0.001 2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.097 -0.966 0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.579 -1.012 1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.393 0.218 0.375 1.00 0.00 H new ATOM 647 N THR A 44 -12.741 2.646 0.977 1.00 0.00 N ATOM 648 CA THR A 44 -11.842 3.613 0.282 1.00 0.00 C ATOM 649 C THR A 44 -10.750 4.077 1.251 1.00 0.00 C ATOM 650 O THR A 44 -9.607 4.247 0.876 1.00 0.00 O ATOM 651 CB THR A 44 -12.648 4.827 -0.174 1.00 0.00 C ATOM 652 OG1 THR A 44 -13.613 4.425 -1.133 1.00 0.00 O ATOM 653 CG2 THR A 44 -11.710 5.867 -0.791 1.00 0.00 C ATOM 0 H THR A 44 -13.715 2.937 1.056 1.00 0.00 H new ATOM 0 HA THR A 44 -11.391 3.127 -0.583 1.00 0.00 H new ATOM 0 HB THR A 44 -13.155 5.266 0.685 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.372 4.787 -2.011 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.289 6.732 -1.115 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.975 6.180 -0.049 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.197 5.431 -1.649 1.00 0.00 H new ATOM 661 N SER A 45 -11.094 4.286 2.495 1.00 0.00 N ATOM 662 CA SER A 45 -10.076 4.742 3.485 1.00 0.00 C ATOM 663 C SER A 45 -9.234 3.548 3.929 1.00 0.00 C ATOM 664 O SER A 45 -8.042 3.661 4.120 1.00 0.00 O ATOM 665 CB SER A 45 -10.771 5.362 4.697 1.00 0.00 C ATOM 666 OG SER A 45 -10.842 6.772 4.530 1.00 0.00 O ATOM 0 H SER A 45 -12.035 4.161 2.867 1.00 0.00 H new ATOM 0 HA SER A 45 -9.432 5.491 3.024 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.773 4.947 4.807 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.223 5.120 5.608 1.00 0.00 H new ATOM 0 HG SER A 45 -11.289 7.171 5.305 1.00 0.00 H new ATOM 672 N GLU A 46 -9.833 2.399 4.082 1.00 0.00 N ATOM 673 CA GLU A 46 -9.039 1.210 4.491 1.00 0.00 C ATOM 674 C GLU A 46 -8.107 0.846 3.340 1.00 0.00 C ATOM 675 O GLU A 46 -7.073 0.235 3.525 1.00 0.00 O ATOM 676 CB GLU A 46 -9.969 0.043 4.794 1.00 0.00 C ATOM 677 CG GLU A 46 -9.635 -0.530 6.173 1.00 0.00 C ATOM 678 CD GLU A 46 -9.333 -2.024 6.047 1.00 0.00 C ATOM 679 OE1 GLU A 46 -9.066 -2.463 4.940 1.00 0.00 O ATOM 680 OE2 GLU A 46 -9.377 -2.705 7.058 1.00 0.00 O ATOM 0 H GLU A 46 -10.830 2.234 3.942 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.462 1.432 5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.007 0.375 4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.862 -0.729 4.032 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.776 -0.009 6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.471 -0.374 6.855 1.00 0.00 H new ATOM 687 N ALA A 47 -8.463 1.250 2.152 1.00 0.00 N ATOM 688 CA ALA A 47 -7.605 0.971 0.974 1.00 0.00 C ATOM 689 C ALA A 47 -6.491 2.007 0.961 1.00 0.00 C ATOM 690 O ALA A 47 -5.346 1.708 0.687 1.00 0.00 O ATOM 691 CB ALA A 47 -8.428 1.091 -0.309 1.00 0.00 C ATOM 0 H ALA A 47 -9.319 1.766 1.949 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.196 -0.038 1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.792 0.885 -1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.248 0.373 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.832 2.100 -0.389 1.00 0.00 H new ATOM 697 N TYR A 48 -6.823 3.228 1.281 1.00 0.00 N ATOM 698 CA TYR A 48 -5.793 4.287 1.319 1.00 0.00 C ATOM 699 C TYR A 48 -4.795 3.923 2.412 1.00 0.00 C ATOM 700 O TYR A 48 -3.620 4.217 2.333 1.00 0.00 O ATOM 701 CB TYR A 48 -6.456 5.624 1.627 1.00 0.00 C ATOM 702 CG TYR A 48 -5.815 6.705 0.791 1.00 0.00 C ATOM 703 CD1 TYR A 48 -4.464 7.022 0.970 1.00 0.00 C ATOM 704 CD2 TYR A 48 -6.574 7.386 -0.168 1.00 0.00 C ATOM 705 CE1 TYR A 48 -3.871 8.023 0.190 1.00 0.00 C ATOM 706 CE2 TYR A 48 -5.982 8.386 -0.948 1.00 0.00 C ATOM 707 CZ TYR A 48 -4.631 8.705 -0.769 1.00 0.00 C ATOM 708 OH TYR A 48 -4.046 9.689 -1.538 1.00 0.00 O ATOM 0 H TYR A 48 -7.768 3.532 1.517 1.00 0.00 H new ATOM 0 HA TYR A 48 -5.281 4.371 0.360 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.524 5.570 1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.352 5.859 2.686 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.879 6.495 1.709 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.616 7.140 -0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.828 8.269 0.328 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.568 8.911 -1.688 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.095 9.486 -1.661 1.00 0.00 H new ATOM 718 N ALA A 49 -5.271 3.247 3.417 1.00 0.00 N ATOM 719 CA ALA A 49 -4.383 2.803 4.522 1.00 0.00 C ATOM 720 C ALA A 49 -3.672 1.529 4.072 1.00 0.00 C ATOM 721 O ALA A 49 -2.648 1.152 4.599 1.00 0.00 O ATOM 722 CB ALA A 49 -5.218 2.516 5.772 1.00 0.00 C ATOM 0 H ALA A 49 -6.250 2.980 3.520 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.656 3.579 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.563 2.191 6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.744 3.422 6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.942 1.731 5.554 1.00 0.00 H new ATOM 728 N TYR A 50 -4.219 0.866 3.089 1.00 0.00 N ATOM 729 CA TYR A 50 -3.589 -0.379 2.581 1.00 0.00 C ATOM 730 C TYR A 50 -2.311 -0.010 1.823 1.00 0.00 C ATOM 731 O TYR A 50 -1.253 -0.558 2.057 1.00 0.00 O ATOM 732 CB TYR A 50 -4.569 -1.083 1.641 1.00 0.00 C ATOM 733 CG TYR A 50 -3.992 -2.401 1.185 1.00 0.00 C ATOM 734 CD1 TYR A 50 -3.191 -3.157 2.050 1.00 0.00 C ATOM 735 CD2 TYR A 50 -4.263 -2.868 -0.106 1.00 0.00 C ATOM 736 CE1 TYR A 50 -2.660 -4.379 1.623 1.00 0.00 C ATOM 737 CE2 TYR A 50 -3.732 -4.091 -0.533 1.00 0.00 C ATOM 738 CZ TYR A 50 -2.931 -4.847 0.330 1.00 0.00 C ATOM 739 OH TYR A 50 -2.407 -6.052 -0.090 1.00 0.00 O ATOM 0 H TYR A 50 -5.081 1.138 2.615 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.341 -1.045 3.407 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.518 -1.249 2.150 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -4.777 -0.450 0.778 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.983 -2.797 3.047 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.881 -2.285 -0.773 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.041 -4.962 2.290 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.941 -4.451 -1.529 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.692 -6.229 -1.011 1.00 0.00 H new ATOM 749 N ALA A 51 -2.409 0.925 0.917 1.00 0.00 N ATOM 750 CA ALA A 51 -1.209 1.348 0.136 1.00 0.00 C ATOM 751 C ALA A 51 -0.282 2.193 1.019 1.00 0.00 C ATOM 752 O ALA A 51 0.903 2.293 0.765 1.00 0.00 O ATOM 753 CB ALA A 51 -1.663 2.175 -1.069 1.00 0.00 C ATOM 0 H ALA A 51 -3.272 1.416 0.683 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.667 0.466 -0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.792 2.488 -1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.317 1.572 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.204 3.055 -0.723 1.00 0.00 H new ATOM 759 N ASP A 52 -0.806 2.806 2.047 1.00 0.00 N ATOM 760 CA ASP A 52 0.056 3.645 2.933 1.00 0.00 C ATOM 761 C ASP A 52 0.893 2.746 3.850 1.00 0.00 C ATOM 762 O ASP A 52 2.105 2.837 3.887 1.00 0.00 O ATOM 763 CB ASP A 52 -0.826 4.555 3.792 1.00 0.00 C ATOM 764 CG ASP A 52 -0.138 5.910 3.975 1.00 0.00 C ATOM 765 OD1 ASP A 52 -0.235 6.728 3.074 1.00 0.00 O ATOM 766 OD2 ASP A 52 0.473 6.108 5.011 1.00 0.00 O ATOM 0 H ASP A 52 -1.790 2.763 2.312 1.00 0.00 H new ATOM 0 HA ASP A 52 0.719 4.250 2.314 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.798 4.690 3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.007 4.093 4.763 1.00 0.00 H new ATOM 771 N THR A 53 0.255 1.886 4.596 1.00 0.00 N ATOM 772 CA THR A 53 1.005 0.987 5.520 1.00 0.00 C ATOM 773 C THR A 53 2.189 0.352 4.786 1.00 0.00 C ATOM 774 O THR A 53 3.151 -0.071 5.393 1.00 0.00 O ATOM 775 CB THR A 53 0.073 -0.112 6.038 1.00 0.00 C ATOM 776 OG1 THR A 53 0.755 -0.887 7.013 1.00 0.00 O ATOM 777 CG2 THR A 53 -0.356 -1.011 4.879 1.00 0.00 C ATOM 0 H THR A 53 -0.758 1.767 4.606 1.00 0.00 H new ATOM 0 HA THR A 53 1.379 1.572 6.360 1.00 0.00 H new ATOM 0 HB THR A 53 -0.810 0.343 6.486 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.160 -1.590 7.347 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.019 -1.792 5.251 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.880 -0.416 4.131 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.525 -1.467 4.427 1.00 0.00 H new ATOM 785 N LEU A 54 2.129 0.281 3.485 1.00 0.00 N ATOM 786 CA LEU A 54 3.260 -0.319 2.723 1.00 0.00 C ATOM 787 C LEU A 54 4.560 0.388 3.112 1.00 0.00 C ATOM 788 O LEU A 54 5.468 -0.224 3.637 1.00 0.00 O ATOM 789 CB LEU A 54 3.011 -0.146 1.224 1.00 0.00 C ATOM 790 CG LEU A 54 2.396 -1.429 0.660 1.00 0.00 C ATOM 791 CD1 LEU A 54 1.922 -1.180 -0.773 1.00 0.00 C ATOM 792 CD2 LEU A 54 3.450 -2.539 0.662 1.00 0.00 C ATOM 0 H LEU A 54 1.348 0.611 2.918 1.00 0.00 H new ATOM 0 HA LEU A 54 3.339 -1.381 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.343 0.698 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.947 0.077 0.712 1.00 0.00 H new ATOM 0 HG LEU A 54 1.548 -1.729 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.484 -2.093 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.174 -0.387 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.770 -0.882 -1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.015 -3.454 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.296 -2.238 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.790 -2.716 1.682 1.00 0.00 H new ATOM 804 N LYS A 55 4.637 1.675 2.856 1.00 0.00 N ATOM 805 CA LYS A 55 5.862 2.473 3.196 1.00 0.00 C ATOM 806 C LYS A 55 7.104 1.580 3.201 1.00 0.00 C ATOM 807 O LYS A 55 7.951 1.681 4.066 1.00 0.00 O ATOM 808 CB LYS A 55 5.701 3.141 4.568 1.00 0.00 C ATOM 809 CG LYS A 55 4.943 2.218 5.527 1.00 0.00 C ATOM 810 CD LYS A 55 5.917 1.222 6.159 1.00 0.00 C ATOM 811 CE LYS A 55 5.145 0.258 7.063 1.00 0.00 C ATOM 812 NZ LYS A 55 5.739 0.269 8.428 1.00 0.00 N ATOM 0 H LYS A 55 3.890 2.215 2.419 1.00 0.00 H new ATOM 0 HA LYS A 55 5.986 3.244 2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.681 3.379 4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.164 4.083 4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.454 2.806 6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.159 1.684 4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.442 0.667 5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.673 1.753 6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.096 0.549 7.110 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.178 -0.750 6.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.213 -0.387 9.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.734 -0.029 8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.685 1.230 8.822 1.00 0.00 H new ATOM 826 N LYS A 56 7.220 0.709 2.235 1.00 0.00 N ATOM 827 CA LYS A 56 8.407 -0.188 2.176 1.00 0.00 C ATOM 828 C LYS A 56 9.612 0.622 1.705 1.00 0.00 C ATOM 829 O LYS A 56 10.410 1.092 2.492 1.00 0.00 O ATOM 830 CB LYS A 56 8.134 -1.315 1.177 1.00 0.00 C ATOM 831 CG LYS A 56 7.574 -2.532 1.916 1.00 0.00 C ATOM 832 CD LYS A 56 8.726 -3.437 2.358 1.00 0.00 C ATOM 833 CE LYS A 56 9.127 -3.092 3.794 1.00 0.00 C ATOM 834 NZ LYS A 56 9.342 -4.350 4.565 1.00 0.00 N ATOM 0 H LYS A 56 6.542 0.581 1.484 1.00 0.00 H new ATOM 0 HA LYS A 56 8.606 -0.612 3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.426 -0.979 0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.053 -1.584 0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.997 -2.210 2.783 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.893 -3.083 1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.425 -4.483 2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.579 -3.310 1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.037 -2.492 3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.349 -2.492 4.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.615 -4.117 5.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.463 -4.906 4.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.099 -4.906 4.118 1.00 0.00 H new ATOM 848 N ASP A 57 9.734 0.791 0.422 1.00 0.00 N ATOM 849 CA ASP A 57 10.868 1.575 -0.136 1.00 0.00 C ATOM 850 C ASP A 57 10.355 2.352 -1.346 1.00 0.00 C ATOM 851 O ASP A 57 11.107 2.759 -2.210 1.00 0.00 O ATOM 852 CB ASP A 57 11.999 0.639 -0.578 1.00 0.00 C ATOM 853 CG ASP A 57 11.682 -0.811 -0.189 1.00 0.00 C ATOM 854 OD1 ASP A 57 12.019 -1.194 0.919 1.00 0.00 O ATOM 855 OD2 ASP A 57 11.107 -1.510 -1.007 1.00 0.00 O ATOM 0 H ASP A 57 9.089 0.415 -0.273 1.00 0.00 H new ATOM 0 HA ASP A 57 11.257 2.252 0.624 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.137 0.710 -1.657 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.936 0.949 -0.116 1.00 0.00 H new ATOM 860 N ASN A 58 9.070 2.547 -1.407 1.00 0.00 N ATOM 861 CA ASN A 58 8.469 3.284 -2.553 1.00 0.00 C ATOM 862 C ASN A 58 8.638 4.790 -2.339 1.00 0.00 C ATOM 863 O ASN A 58 9.403 5.438 -3.026 1.00 0.00 O ATOM 864 CB ASN A 58 6.984 2.934 -2.666 1.00 0.00 C ATOM 865 CG ASN A 58 6.714 1.563 -2.038 1.00 0.00 C ATOM 866 OD1 ASN A 58 7.144 0.551 -2.554 1.00 0.00 O ATOM 867 ND2 ASN A 58 6.012 1.483 -0.937 1.00 0.00 N ATOM 0 H ASN A 58 8.403 2.225 -0.706 1.00 0.00 H new ATOM 0 HA ASN A 58 8.973 2.997 -3.476 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.385 3.695 -2.167 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.683 2.928 -3.714 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.827 0.573 -0.515 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.649 2.331 -0.501 1.00 0.00 H new ATOM 874 N GLY A 59 7.938 5.355 -1.391 1.00 0.00 N ATOM 875 CA GLY A 59 8.078 6.819 -1.143 1.00 0.00 C ATOM 876 C GLY A 59 6.718 7.502 -1.266 1.00 0.00 C ATOM 877 O GLY A 59 6.621 8.647 -1.662 1.00 0.00 O ATOM 0 H GLY A 59 7.280 4.870 -0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.491 6.990 -0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.778 7.252 -1.858 1.00 0.00 H new ATOM 881 N GLU A 60 5.677 6.799 -0.931 1.00 0.00 N ATOM 882 CA GLU A 60 4.303 7.370 -1.014 1.00 0.00 C ATOM 883 C GLU A 60 3.777 7.218 -2.439 1.00 0.00 C ATOM 884 O GLU A 60 4.485 6.798 -3.333 1.00 0.00 O ATOM 885 CB GLU A 60 4.322 8.846 -0.613 1.00 0.00 C ATOM 886 CG GLU A 60 5.224 9.027 0.609 1.00 0.00 C ATOM 887 CD GLU A 60 4.495 9.861 1.664 1.00 0.00 C ATOM 888 OE1 GLU A 60 3.427 9.447 2.083 1.00 0.00 O ATOM 889 OE2 GLU A 60 5.015 10.901 2.033 1.00 0.00 O ATOM 0 H GLU A 60 5.718 5.836 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 60 3.647 6.833 -0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.685 9.455 -1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.311 9.186 -0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.494 8.055 1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.152 9.519 0.319 1.00 0.00 H new ATOM 896 N TYR A 61 2.532 7.536 -2.655 1.00 0.00 N ATOM 897 CA TYR A 61 1.958 7.385 -4.023 1.00 0.00 C ATOM 898 C TYR A 61 0.865 8.425 -4.271 1.00 0.00 C ATOM 899 O TYR A 61 0.518 9.208 -3.409 1.00 0.00 O ATOM 900 CB TYR A 61 1.338 5.994 -4.152 1.00 0.00 C ATOM 901 CG TYR A 61 0.476 5.714 -2.943 1.00 0.00 C ATOM 902 CD1 TYR A 61 1.051 5.173 -1.788 1.00 0.00 C ATOM 903 CD2 TYR A 61 -0.897 5.988 -2.980 1.00 0.00 C ATOM 904 CE1 TYR A 61 0.259 4.909 -0.668 1.00 0.00 C ATOM 905 CE2 TYR A 61 -1.692 5.724 -1.857 1.00 0.00 C ATOM 906 CZ TYR A 61 -1.114 5.184 -0.700 1.00 0.00 C ATOM 907 OH TYR A 61 -1.895 4.924 0.408 1.00 0.00 O ATOM 0 H TYR A 61 1.889 7.892 -1.948 1.00 0.00 H new ATOM 0 HA TYR A 61 2.757 7.525 -4.751 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.739 5.934 -5.061 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.122 5.241 -4.236 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.109 4.959 -1.762 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.342 6.402 -3.873 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.706 4.493 0.223 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.751 5.937 -1.883 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.605 5.596 0.473 1.00 0.00 H new ATOM 917 N THR A 62 0.306 8.408 -5.450 1.00 0.00 N ATOM 918 CA THR A 62 -0.791 9.355 -5.790 1.00 0.00 C ATOM 919 C THR A 62 -1.999 8.523 -6.225 1.00 0.00 C ATOM 920 O THR A 62 -1.947 7.797 -7.197 1.00 0.00 O ATOM 921 CB THR A 62 -0.349 10.276 -6.932 1.00 0.00 C ATOM 922 OG1 THR A 62 -1.335 11.278 -7.142 1.00 0.00 O ATOM 923 CG2 THR A 62 -0.171 9.459 -8.210 1.00 0.00 C ATOM 0 H THR A 62 0.567 7.769 -6.201 1.00 0.00 H new ATOM 0 HA THR A 62 -1.044 9.976 -4.931 1.00 0.00 H new ATOM 0 HB THR A 62 0.598 10.748 -6.670 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.052 11.868 -7.871 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.143 10.116 -9.021 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.587 8.693 -8.049 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.116 8.985 -8.473 1.00 0.00 H new ATOM 931 N VAL A 63 -3.076 8.595 -5.494 1.00 0.00 N ATOM 932 CA VAL A 63 -4.270 7.777 -5.848 1.00 0.00 C ATOM 933 C VAL A 63 -5.051 8.426 -6.992 1.00 0.00 C ATOM 934 O VAL A 63 -5.288 9.618 -7.004 1.00 0.00 O ATOM 935 CB VAL A 63 -5.175 7.654 -4.620 1.00 0.00 C ATOM 936 CG1 VAL A 63 -5.673 9.040 -4.207 1.00 0.00 C ATOM 937 CG2 VAL A 63 -6.373 6.763 -4.953 1.00 0.00 C ATOM 0 H VAL A 63 -3.181 9.184 -4.668 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.938 6.790 -6.171 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.609 7.212 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.317 8.949 -3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.821 9.676 -3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.236 9.484 -5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.017 6.676 -4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.937 7.204 -5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.021 5.773 -5.244 1.00 0.00 H new ATOM 947 N ASP A 64 -5.470 7.637 -7.945 1.00 0.00 N ATOM 948 CA ASP A 64 -6.255 8.175 -9.078 1.00 0.00 C ATOM 949 C ASP A 64 -7.727 8.101 -8.698 1.00 0.00 C ATOM 950 O ASP A 64 -8.174 7.152 -8.087 1.00 0.00 O ATOM 951 CB ASP A 64 -6.004 7.331 -10.328 1.00 0.00 C ATOM 952 CG ASP A 64 -4.639 7.685 -10.920 1.00 0.00 C ATOM 953 OD1 ASP A 64 -3.862 8.320 -10.226 1.00 0.00 O ATOM 954 OD2 ASP A 64 -4.394 7.318 -12.058 1.00 0.00 O ATOM 0 H ASP A 64 -5.297 6.633 -7.981 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.964 9.204 -9.289 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.039 6.271 -10.076 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.788 7.510 -11.064 1.00 0.00 H new ATOM 959 N VAL A 65 -8.476 9.098 -9.028 1.00 0.00 N ATOM 960 CA VAL A 65 -9.917 9.089 -8.656 1.00 0.00 C ATOM 961 C VAL A 65 -10.779 8.721 -9.865 1.00 0.00 C ATOM 962 O VAL A 65 -10.931 9.491 -10.791 1.00 0.00 O ATOM 963 CB VAL A 65 -10.319 10.472 -8.145 1.00 0.00 C ATOM 964 CG1 VAL A 65 -11.761 10.425 -7.639 1.00 0.00 C ATOM 965 CG2 VAL A 65 -9.387 10.882 -7.001 1.00 0.00 C ATOM 0 H VAL A 65 -8.161 9.923 -9.539 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.074 8.346 -7.874 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.241 11.199 -8.954 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.051 11.410 -7.274 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.423 10.131 -8.453 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.839 9.700 -6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.672 11.868 -6.635 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.466 10.158 -6.190 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.359 10.912 -7.362 1.00 0.00 H new ATOM 975 N ALA A 66 -11.358 7.551 -9.853 1.00 0.00 N ATOM 976 CA ALA A 66 -12.226 7.133 -10.991 1.00 0.00 C ATOM 977 C ALA A 66 -13.419 6.347 -10.452 1.00 0.00 C ATOM 978 O ALA A 66 -13.567 6.169 -9.260 1.00 0.00 O ATOM 979 CB ALA A 66 -11.423 6.260 -11.959 1.00 0.00 C ATOM 0 H ALA A 66 -11.267 6.866 -9.103 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.583 8.016 -11.522 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.060 5.956 -12.789 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.574 6.827 -12.342 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.062 5.374 -11.436 1.00 0.00 H new ATOM 985 N ASP A 67 -14.279 5.884 -11.316 1.00 0.00 N ATOM 986 CA ASP A 67 -15.466 5.129 -10.836 1.00 0.00 C ATOM 987 C ASP A 67 -16.109 5.900 -9.685 1.00 0.00 C ATOM 988 O ASP A 67 -16.399 5.356 -8.642 1.00 0.00 O ATOM 989 CB ASP A 67 -15.040 3.751 -10.357 1.00 0.00 C ATOM 990 CG ASP A 67 -16.197 2.765 -10.532 1.00 0.00 C ATOM 991 OD1 ASP A 67 -16.371 2.275 -11.636 1.00 0.00 O ATOM 992 OD2 ASP A 67 -16.888 2.515 -9.559 1.00 0.00 O ATOM 0 H ASP A 67 -14.211 5.996 -12.328 1.00 0.00 H new ATOM 0 HA ASP A 67 -16.183 5.013 -11.649 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -14.171 3.411 -10.921 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.742 3.795 -9.309 1.00 0.00 H new ATOM 997 N LYS A 68 -16.326 7.176 -9.873 1.00 0.00 N ATOM 998 CA LYS A 68 -16.945 8.016 -8.800 1.00 0.00 C ATOM 999 C LYS A 68 -16.275 7.735 -7.453 1.00 0.00 C ATOM 1000 O LYS A 68 -16.839 7.091 -6.591 1.00 0.00 O ATOM 1001 CB LYS A 68 -18.456 7.746 -8.682 1.00 0.00 C ATOM 1002 CG LYS A 68 -18.819 6.381 -9.273 1.00 0.00 C ATOM 1003 CD LYS A 68 -20.331 6.318 -9.499 1.00 0.00 C ATOM 1004 CE LYS A 68 -20.940 5.236 -8.607 1.00 0.00 C ATOM 1005 NZ LYS A 68 -22.394 5.110 -8.907 1.00 0.00 N ATOM 0 H LYS A 68 -16.099 7.678 -10.731 1.00 0.00 H new ATOM 0 HA LYS A 68 -16.797 9.061 -9.072 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.755 7.783 -7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -19.010 8.529 -9.200 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.292 6.227 -10.214 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.506 5.584 -8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -20.783 7.284 -9.275 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -20.543 6.102 -10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -20.438 4.283 -8.777 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -20.794 5.490 -7.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -22.811 4.374 -8.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -22.866 6.018 -8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -22.521 4.849 -9.906 1.00 0.00 H new ATOM 1019 N GLY A 69 -15.080 8.231 -7.265 1.00 0.00 N ATOM 1020 CA GLY A 69 -14.365 8.016 -5.971 1.00 0.00 C ATOM 1021 C GLY A 69 -14.615 6.597 -5.455 1.00 0.00 C ATOM 1022 O GLY A 69 -14.722 6.372 -4.266 1.00 0.00 O ATOM 0 H GLY A 69 -14.566 8.778 -7.955 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.296 8.177 -6.107 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.706 8.743 -5.234 1.00 0.00 H new ATOM 1026 N TYR A 70 -14.709 5.639 -6.334 1.00 0.00 N ATOM 1027 CA TYR A 70 -14.948 4.250 -5.889 1.00 0.00 C ATOM 1028 C TYR A 70 -13.788 3.372 -6.365 1.00 0.00 C ATOM 1029 O TYR A 70 -13.395 2.429 -5.706 1.00 0.00 O ATOM 1030 CB TYR A 70 -16.271 3.768 -6.471 1.00 0.00 C ATOM 1031 CG TYR A 70 -17.060 2.979 -5.448 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -16.984 3.299 -4.082 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -17.882 1.924 -5.872 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -17.723 2.569 -3.151 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -18.623 1.200 -4.940 1.00 0.00 C ATOM 1036 CZ TYR A 70 -18.544 1.519 -3.579 1.00 0.00 C ATOM 1037 OH TYR A 70 -19.270 0.794 -2.659 1.00 0.00 O ATOM 0 H TYR A 70 -14.630 5.764 -7.343 1.00 0.00 H new ATOM 0 HA TYR A 70 -15.004 4.195 -4.802 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -16.857 4.623 -6.807 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -16.082 3.147 -7.347 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -16.353 4.111 -3.752 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -17.940 1.673 -6.921 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -17.662 2.814 -2.101 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -19.259 0.391 -5.268 1.00 0.00 H new ATOM 0 HH TYR A 70 -19.819 1.403 -2.122 1.00 0.00 H new ATOM 1047 N THR A 71 -13.213 3.701 -7.489 1.00 0.00 N ATOM 1048 CA THR A 71 -12.049 2.918 -7.995 1.00 0.00 C ATOM 1049 C THR A 71 -10.815 3.820 -7.938 1.00 0.00 C ATOM 1050 O THR A 71 -10.743 4.822 -8.621 1.00 0.00 O ATOM 1051 CB THR A 71 -12.302 2.481 -9.439 1.00 0.00 C ATOM 1052 OG1 THR A 71 -13.340 1.509 -9.462 1.00 0.00 O ATOM 1053 CG2 THR A 71 -11.023 1.879 -10.027 1.00 0.00 C ATOM 0 H THR A 71 -13.500 4.481 -8.081 1.00 0.00 H new ATOM 0 HA THR A 71 -11.899 2.027 -7.385 1.00 0.00 H new ATOM 0 HB THR A 71 -12.598 3.345 -10.033 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.505 1.229 -10.386 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.206 1.569 -11.056 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.228 2.625 -10.009 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.722 1.014 -9.435 1.00 0.00 H new ATOM 1061 N LEU A 72 -9.853 3.491 -7.120 1.00 0.00 N ATOM 1062 CA LEU A 72 -8.644 4.361 -7.025 1.00 0.00 C ATOM 1063 C LEU A 72 -7.401 3.601 -7.482 1.00 0.00 C ATOM 1064 O LEU A 72 -7.038 2.587 -6.924 1.00 0.00 O ATOM 1065 CB LEU A 72 -8.428 4.842 -5.578 1.00 0.00 C ATOM 1066 CG LEU A 72 -9.493 4.266 -4.639 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -9.030 4.435 -3.192 1.00 0.00 C ATOM 1068 CD2 LEU A 72 -10.814 5.015 -4.840 1.00 0.00 C ATOM 0 H LEU A 72 -9.850 2.667 -6.519 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.806 5.223 -7.672 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.437 4.542 -5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.461 5.931 -5.545 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.640 3.209 -4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.784 4.027 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.089 3.905 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.887 5.494 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.571 4.604 -4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.670 6.073 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.143 4.902 -5.873 1.00 0.00 H new ATOM 1080 N ASN A 73 -6.735 4.104 -8.484 1.00 0.00 N ATOM 1081 CA ASN A 73 -5.494 3.435 -8.976 1.00 0.00 C ATOM 1082 C ASN A 73 -4.287 4.102 -8.316 1.00 0.00 C ATOM 1083 O ASN A 73 -3.934 5.220 -8.634 1.00 0.00 O ATOM 1084 CB ASN A 73 -5.403 3.586 -10.491 1.00 0.00 C ATOM 1085 CG ASN A 73 -6.040 2.369 -11.159 1.00 0.00 C ATOM 1086 OD1 ASN A 73 -5.574 1.908 -12.181 1.00 0.00 O ATOM 1087 ND2 ASN A 73 -7.096 1.826 -10.619 1.00 0.00 N ATOM 0 H ASN A 73 -6.996 4.952 -8.986 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.513 2.374 -8.726 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.911 4.497 -10.808 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.361 3.679 -10.797 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.531 1.013 -11.055 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.487 2.214 -9.760 1.00 0.00 H new ATOM 1094 N ILE A 74 -3.664 3.433 -7.387 1.00 0.00 N ATOM 1095 CA ILE A 74 -2.493 4.039 -6.692 1.00 0.00 C ATOM 1096 C ILE A 74 -1.243 3.921 -7.565 1.00 0.00 C ATOM 1097 O ILE A 74 -1.090 2.994 -8.333 1.00 0.00 O ATOM 1098 CB ILE A 74 -2.263 3.309 -5.369 1.00 0.00 C ATOM 1099 CG1 ILE A 74 -3.424 3.608 -4.419 1.00 0.00 C ATOM 1100 CG2 ILE A 74 -0.956 3.790 -4.738 1.00 0.00 C ATOM 1101 CD1 ILE A 74 -3.800 2.337 -3.656 1.00 0.00 C ATOM 0 H ILE A 74 -3.914 2.493 -7.079 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.693 5.094 -6.504 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.204 2.236 -5.552 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.142 4.395 -3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.283 3.975 -4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.794 3.268 -3.795 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.127 3.582 -5.415 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.014 4.863 -4.554 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.627 2.550 -2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.100 1.563 -4.363 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.941 1.990 -3.081 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.344 4.859 -7.446 1.00 0.00 N ATOM 1114 CA LYS A 75 0.902 4.814 -8.259 1.00 0.00 C ATOM 1115 C LYS A 75 2.076 5.285 -7.397 1.00 0.00 C ATOM 1116 O LYS A 75 2.375 6.462 -7.333 1.00 0.00 O ATOM 1117 CB LYS A 75 0.749 5.732 -9.469 1.00 0.00 C ATOM 1118 CG LYS A 75 0.838 4.904 -10.753 1.00 0.00 C ATOM 1119 CD LYS A 75 2.186 5.150 -11.428 1.00 0.00 C ATOM 1120 CE LYS A 75 2.059 6.326 -12.395 1.00 0.00 C ATOM 1121 NZ LYS A 75 3.412 6.712 -12.885 1.00 0.00 N ATOM 0 H LYS A 75 -0.420 5.658 -6.817 1.00 0.00 H new ATOM 0 HA LYS A 75 1.087 3.796 -8.602 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.208 6.253 -9.425 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.528 6.495 -9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.723 3.845 -10.523 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.027 5.174 -11.429 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.948 5.362 -10.678 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.506 4.256 -11.964 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.420 6.053 -13.235 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.586 7.172 -11.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.327 7.513 -13.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.007 6.989 -12.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.847 5.905 -13.376 1.00 0.00 H new ATOM 1135 N PHE A 76 2.739 4.380 -6.729 1.00 0.00 N ATOM 1136 CA PHE A 76 3.887 4.786 -5.865 1.00 0.00 C ATOM 1137 C PHE A 76 5.020 5.320 -6.746 1.00 0.00 C ATOM 1138 O PHE A 76 5.252 4.840 -7.838 1.00 0.00 O ATOM 1139 CB PHE A 76 4.386 3.590 -5.040 1.00 0.00 C ATOM 1140 CG PHE A 76 3.246 2.638 -4.746 1.00 0.00 C ATOM 1141 CD1 PHE A 76 2.337 2.926 -3.722 1.00 0.00 C ATOM 1142 CD2 PHE A 76 3.103 1.464 -5.493 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.284 2.043 -3.448 1.00 0.00 C ATOM 1144 CE2 PHE A 76 2.051 0.581 -5.219 1.00 0.00 C ATOM 1145 CZ PHE A 76 1.143 0.870 -4.196 1.00 0.00 C ATOM 0 H PHE A 76 2.537 3.380 -6.743 1.00 0.00 H new ATOM 0 HA PHE A 76 3.558 5.566 -5.179 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.173 3.068 -5.584 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.824 3.942 -4.106 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.447 3.830 -3.142 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.805 1.238 -6.282 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.581 2.268 -2.659 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.941 -0.324 -5.798 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.333 0.188 -3.984 1.00 0.00 H new ATOM 1155 N ALA A 77 5.719 6.318 -6.277 1.00 0.00 N ATOM 1156 CA ALA A 77 6.831 6.898 -7.082 1.00 0.00 C ATOM 1157 C ALA A 77 7.890 5.828 -7.345 1.00 0.00 C ATOM 1158 O ALA A 77 7.932 5.231 -8.403 1.00 0.00 O ATOM 1159 CB ALA A 77 7.462 8.058 -6.310 1.00 0.00 C ATOM 0 H ALA A 77 5.567 6.757 -5.369 1.00 0.00 H new ATOM 0 HA ALA A 77 6.439 7.259 -8.033 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.276 8.485 -6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.709 8.824 -6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.851 7.693 -5.360 1.00 0.00 H new ATOM 1165 N GLY A 78 8.749 5.582 -6.395 1.00 0.00 N ATOM 1166 CA GLY A 78 9.806 4.552 -6.595 1.00 0.00 C ATOM 1167 C GLY A 78 11.179 5.224 -6.610 1.00 0.00 C ATOM 1168 O GLY A 78 12.073 4.719 -5.952 1.00 0.00 O ATOM 1169 OXT GLY A 78 11.314 6.233 -7.282 1.00 0.00 O ATOM 0 H GLY A 78 8.765 6.050 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.761 3.811 -5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.639 4.022 -7.533 1.00 0.00 H new TER 1173 GLY A 78