USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 795 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 36 LYS NZ :NH3+ 148:sc= -0.487 (180deg=0) USER MOD Set 1.2: A 39 MET CE :methyl -116:sc= -0.446 (180deg=-0.535) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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= 0.0284 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.1) USER MOD Single : A 17 ASN : amide:sc= -3.5 K(o=-3.5,f=-2) USER MOD Single : A 18 THR OG1 : rot 112:sc= -0.308 USER MOD Single : A 20 TYR OH : rot -140:sc= -1.85! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0646 USER MOD Single : A 35 SER OG : rot 90:sc= -0.317 USER MOD Single : A 40 HIS : no HD1:sc= -7.31! C(o=-7.3!,f=-6.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00269 USER MOD Single : A 59 ASN : amide:sc= -2.07! C(o=-2.1!,f=-4.7!) USER MOD Single : A 60 CYS SG : rot -33:sc= 0.00689 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -94:sc= -0.141 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot -6:sc= -0.698 USER MOD Single : A 77 GLN : amide:sc= -0.0667 K(o=-0.067,f=-2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 40:sc= 0.718 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -14:sc= 0.258 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 26:sc= 0.0224 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.405 13.342 -21.227 1.00 0.00 N ATOM 2 CA GLY A 1 13.347 14.081 -19.977 1.00 0.00 C ATOM 3 C GLY A 1 12.014 14.818 -19.837 1.00 0.00 C ATOM 4 O GLY A 1 10.984 14.201 -19.571 1.00 0.00 O ATOM 0 H1 GLY A 1 14.319 12.851 -21.298 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.634 12.644 -21.254 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.303 14.001 -22.025 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.478 13.396 -19.139 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.168 14.796 -19.935 1.00 0.00 H new ATOM 8 N SER A 2 12.077 16.129 -20.023 1.00 0.00 N ATOM 9 CA SER A 2 10.888 16.957 -19.921 1.00 0.00 C ATOM 10 C SER A 2 10.412 17.012 -18.468 1.00 0.00 C ATOM 11 O SER A 2 10.582 16.052 -17.718 1.00 0.00 O ATOM 12 CB SER A 2 9.772 16.433 -20.826 1.00 0.00 C ATOM 13 OG SER A 2 9.320 17.423 -21.745 1.00 0.00 O ATOM 0 H SER A 2 12.933 16.637 -20.244 1.00 0.00 H new ATOM 0 HA SER A 2 11.143 17.964 -20.251 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.131 15.564 -21.377 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.935 16.099 -20.213 1.00 0.00 H new ATOM 0 HG SER A 2 8.609 17.048 -22.306 1.00 0.00 H new ATOM 19 N SER A 3 9.823 18.145 -18.114 1.00 0.00 N ATOM 20 CA SER A 3 9.321 18.337 -16.764 1.00 0.00 C ATOM 21 C SER A 3 7.792 18.398 -16.778 1.00 0.00 C ATOM 22 O SER A 3 7.207 19.230 -17.469 1.00 0.00 O ATOM 23 CB SER A 3 9.896 19.609 -16.138 1.00 0.00 C ATOM 24 OG SER A 3 11.197 19.396 -15.597 1.00 0.00 O ATOM 0 H SER A 3 9.682 18.939 -18.739 1.00 0.00 H new ATOM 0 HA SER A 3 9.640 17.489 -16.157 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.941 20.396 -16.891 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.229 19.959 -15.351 1.00 0.00 H new ATOM 0 HG SER A 3 11.530 20.232 -15.208 1.00 0.00 H new ATOM 30 N GLY A 4 7.189 17.504 -16.008 1.00 0.00 N ATOM 31 CA GLY A 4 5.740 17.445 -15.924 1.00 0.00 C ATOM 32 C GLY A 4 5.211 16.124 -16.486 1.00 0.00 C ATOM 33 O GLY A 4 4.869 16.038 -17.664 1.00 0.00 O ATOM 0 H GLY A 4 7.678 16.815 -15.437 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.428 17.553 -14.885 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.306 18.279 -16.476 1.00 0.00 H new ATOM 37 N SER A 5 5.160 15.126 -15.615 1.00 0.00 N ATOM 38 CA SER A 5 4.679 13.813 -16.010 1.00 0.00 C ATOM 39 C SER A 5 4.703 12.864 -14.810 1.00 0.00 C ATOM 40 O SER A 5 5.592 12.950 -13.964 1.00 0.00 O ATOM 41 CB SER A 5 5.515 13.241 -17.156 1.00 0.00 C ATOM 42 OG SER A 5 4.736 13.020 -18.328 1.00 0.00 O ATOM 0 H SER A 5 5.444 15.201 -14.638 1.00 0.00 H new ATOM 0 HA SER A 5 3.653 13.917 -16.362 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.330 13.927 -17.387 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.968 12.302 -16.840 1.00 0.00 H new ATOM 0 HG SER A 5 5.307 12.656 -19.037 1.00 0.00 H new ATOM 48 N SER A 6 3.716 11.981 -14.774 1.00 0.00 N ATOM 49 CA SER A 6 3.613 11.017 -13.692 1.00 0.00 C ATOM 50 C SER A 6 4.970 10.352 -13.453 1.00 0.00 C ATOM 51 O SER A 6 5.820 10.901 -12.753 1.00 0.00 O ATOM 52 CB SER A 6 2.550 9.959 -13.995 1.00 0.00 C ATOM 53 OG SER A 6 2.459 9.678 -15.389 1.00 0.00 O ATOM 0 H SER A 6 2.980 11.913 -15.477 1.00 0.00 H new ATOM 0 HA SER A 6 3.311 11.548 -12.789 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.787 9.042 -13.455 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.582 10.303 -13.630 1.00 0.00 H new ATOM 0 HG SER A 6 1.771 8.997 -15.541 1.00 0.00 H new ATOM 59 N GLY A 7 5.131 9.178 -14.047 1.00 0.00 N ATOM 60 CA GLY A 7 6.370 8.432 -13.908 1.00 0.00 C ATOM 61 C GLY A 7 6.436 7.728 -12.551 1.00 0.00 C ATOM 62 O GLY A 7 7.367 6.969 -12.286 1.00 0.00 O ATOM 0 H GLY A 7 4.423 8.725 -14.626 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.447 7.696 -14.708 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.219 9.107 -14.013 1.00 0.00 H new ATOM 66 N LEU A 8 5.437 8.006 -11.726 1.00 0.00 N ATOM 67 CA LEU A 8 5.370 7.409 -10.403 1.00 0.00 C ATOM 68 C LEU A 8 5.048 5.919 -10.537 1.00 0.00 C ATOM 69 O LEU A 8 5.614 5.092 -9.825 1.00 0.00 O ATOM 70 CB LEU A 8 4.385 8.175 -9.519 1.00 0.00 C ATOM 71 CG LEU A 8 4.633 9.679 -9.385 1.00 0.00 C ATOM 72 CD1 LEU A 8 3.450 10.371 -8.705 1.00 0.00 C ATOM 73 CD2 LEU A 8 5.952 9.955 -8.660 1.00 0.00 C ATOM 0 H LEU A 8 4.667 8.637 -11.948 1.00 0.00 H new ATOM 0 HA LEU A 8 6.335 7.483 -9.902 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.381 8.026 -9.915 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.403 7.734 -8.522 1.00 0.00 H new ATOM 0 HG LEU A 8 4.721 10.101 -10.386 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.652 11.439 -8.622 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.548 10.217 -9.298 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.306 9.951 -7.710 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.104 11.031 -8.578 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.918 9.517 -7.663 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.775 9.514 -9.222 1.00 0.00 H new ATOM 85 N ARG A 9 4.138 5.623 -11.454 1.00 0.00 N ATOM 86 CA ARG A 9 3.733 4.248 -11.689 1.00 0.00 C ATOM 87 C ARG A 9 4.938 3.312 -11.570 1.00 0.00 C ATOM 88 O ARG A 9 4.917 2.364 -10.786 1.00 0.00 O ATOM 89 CB ARG A 9 3.107 4.088 -13.076 1.00 0.00 C ATOM 90 CG ARG A 9 1.873 4.979 -13.227 1.00 0.00 C ATOM 91 CD ARG A 9 0.894 4.392 -14.245 1.00 0.00 C ATOM 92 NE ARG A 9 0.955 5.161 -15.508 1.00 0.00 N ATOM 93 CZ ARG A 9 0.270 6.290 -15.734 1.00 0.00 C ATOM 94 NH1 ARG A 9 -0.531 6.789 -14.783 1.00 0.00 N ATOM 95 NH2 ARG A 9 0.388 6.921 -16.910 1.00 0.00 N ATOM 0 H ARG A 9 3.670 6.312 -12.043 1.00 0.00 H new ATOM 0 HA ARG A 9 2.990 3.987 -10.935 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.840 4.343 -13.841 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.829 3.046 -13.236 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.378 5.087 -12.262 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.177 5.977 -13.543 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.137 3.346 -14.434 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.119 4.416 -13.843 1.00 0.00 H new ATOM 0 HE ARG A 9 1.556 4.809 -16.253 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.619 6.309 -13.887 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.053 7.649 -14.955 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.999 6.542 -17.633 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.133 7.781 -17.082 1.00 0.00 H new ATOM 109 N LYS A 10 5.959 3.611 -12.359 1.00 0.00 N ATOM 110 CA LYS A 10 7.171 2.808 -12.352 1.00 0.00 C ATOM 111 C LYS A 10 7.746 2.773 -10.935 1.00 0.00 C ATOM 112 O LYS A 10 8.036 1.702 -10.404 1.00 0.00 O ATOM 113 CB LYS A 10 8.158 3.318 -13.404 1.00 0.00 C ATOM 114 CG LYS A 10 7.535 3.288 -14.801 1.00 0.00 C ATOM 115 CD LYS A 10 8.601 3.477 -15.881 1.00 0.00 C ATOM 116 CE LYS A 10 7.968 3.536 -17.273 1.00 0.00 C ATOM 117 NZ LYS A 10 8.226 4.850 -17.904 1.00 0.00 N ATOM 0 H LYS A 10 5.973 4.398 -13.008 1.00 0.00 H new ATOM 0 HA LYS A 10 6.947 1.778 -12.631 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.462 4.336 -13.159 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.059 2.704 -13.390 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.022 2.339 -14.954 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.784 4.073 -14.885 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.157 4.395 -15.691 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.317 2.656 -15.838 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.374 2.740 -17.898 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.894 3.366 -17.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.790 4.874 -18.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.818 5.604 -17.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.252 4.997 -17.993 1.00 0.00 H new ATOM 131 N GLN A 11 7.893 3.959 -10.361 1.00 0.00 N ATOM 132 CA GLN A 11 8.429 4.078 -9.015 1.00 0.00 C ATOM 133 C GLN A 11 7.646 3.184 -8.052 1.00 0.00 C ATOM 134 O GLN A 11 8.233 2.386 -7.323 1.00 0.00 O ATOM 135 CB GLN A 11 8.415 5.534 -8.546 1.00 0.00 C ATOM 136 CG GLN A 11 8.989 6.461 -9.620 1.00 0.00 C ATOM 137 CD GLN A 11 9.715 7.650 -8.986 1.00 0.00 C ATOM 138 OE1 GLN A 11 10.723 7.508 -8.314 1.00 0.00 O ATOM 139 NE2 GLN A 11 9.148 8.826 -9.238 1.00 0.00 N ATOM 0 H GLN A 11 7.650 4.845 -10.803 1.00 0.00 H new ATOM 0 HA GLN A 11 9.467 3.745 -9.027 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.394 5.834 -8.309 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.996 5.630 -7.629 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.679 5.905 -10.255 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.185 6.821 -10.262 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.304 8.873 -9.809 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.557 9.681 -8.860 1.00 0.00 H new ATOM 148 N VAL A 12 6.331 3.347 -8.079 1.00 0.00 N ATOM 149 CA VAL A 12 5.461 2.565 -7.217 1.00 0.00 C ATOM 150 C VAL A 12 5.764 1.078 -7.409 1.00 0.00 C ATOM 151 O VAL A 12 6.020 0.363 -6.441 1.00 0.00 O ATOM 152 CB VAL A 12 3.998 2.918 -7.492 1.00 0.00 C ATOM 153 CG1 VAL A 12 3.060 2.094 -6.607 1.00 0.00 C ATOM 154 CG2 VAL A 12 3.751 4.416 -7.308 1.00 0.00 C ATOM 0 H VAL A 12 5.847 4.010 -8.685 1.00 0.00 H new ATOM 0 HA VAL A 12 5.647 2.802 -6.169 1.00 0.00 H new ATOM 0 HB VAL A 12 3.783 2.669 -8.531 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.026 2.364 -6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.208 1.033 -6.809 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.277 2.297 -5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.703 4.639 -7.510 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.992 4.701 -6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.381 4.976 -7.999 1.00 0.00 H new ATOM 164 N GLU A 13 5.726 0.656 -8.664 1.00 0.00 N ATOM 165 CA GLU A 13 5.993 -0.734 -8.995 1.00 0.00 C ATOM 166 C GLU A 13 7.214 -1.238 -8.222 1.00 0.00 C ATOM 167 O GLU A 13 7.153 -2.277 -7.568 1.00 0.00 O ATOM 168 CB GLU A 13 6.186 -0.911 -10.502 1.00 0.00 C ATOM 169 CG GLU A 13 4.958 -0.425 -11.273 1.00 0.00 C ATOM 170 CD GLU A 13 4.438 -1.512 -12.217 1.00 0.00 C ATOM 171 OE1 GLU A 13 5.191 -1.859 -13.152 1.00 0.00 O ATOM 172 OE2 GLU A 13 3.299 -1.970 -11.982 1.00 0.00 O ATOM 0 H GLU A 13 5.514 1.252 -9.464 1.00 0.00 H new ATOM 0 HA GLU A 13 5.129 -1.330 -8.701 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.067 -0.357 -10.827 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.369 -1.961 -10.728 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.173 -0.141 -10.572 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.213 0.467 -11.845 1.00 0.00 H new ATOM 179 N LEU A 14 8.294 -0.478 -8.324 1.00 0.00 N ATOM 180 CA LEU A 14 9.527 -0.834 -7.643 1.00 0.00 C ATOM 181 C LEU A 14 9.261 -0.947 -6.141 1.00 0.00 C ATOM 182 O LEU A 14 9.694 -1.904 -5.500 1.00 0.00 O ATOM 183 CB LEU A 14 10.640 0.154 -7.998 1.00 0.00 C ATOM 184 CG LEU A 14 12.032 -0.181 -7.457 1.00 0.00 C ATOM 185 CD1 LEU A 14 12.467 -1.581 -7.892 1.00 0.00 C ATOM 186 CD2 LEU A 14 13.049 0.888 -7.862 1.00 0.00 C ATOM 0 H LEU A 14 8.341 0.383 -8.868 1.00 0.00 H new ATOM 0 HA LEU A 14 9.879 -1.809 -7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.702 0.226 -9.084 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.356 1.139 -7.628 1.00 0.00 H new ATOM 0 HG LEU A 14 11.984 -0.183 -6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.459 -1.794 -7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.758 -2.317 -7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.494 -1.632 -8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.030 0.626 -7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.101 0.947 -8.949 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.741 1.854 -7.461 1.00 0.00 H new ATOM 198 N LEU A 15 8.549 0.043 -5.622 1.00 0.00 N ATOM 199 CA LEU A 15 8.220 0.066 -4.207 1.00 0.00 C ATOM 200 C LEU A 15 7.480 -1.221 -3.839 1.00 0.00 C ATOM 201 O LEU A 15 7.968 -2.013 -3.034 1.00 0.00 O ATOM 202 CB LEU A 15 7.448 1.341 -3.858 1.00 0.00 C ATOM 203 CG LEU A 15 6.809 1.378 -2.468 1.00 0.00 C ATOM 204 CD1 LEU A 15 7.864 1.199 -1.375 1.00 0.00 C ATOM 205 CD2 LEU A 15 5.994 2.658 -2.274 1.00 0.00 C ATOM 0 H LEU A 15 8.191 0.835 -6.156 1.00 0.00 H new ATOM 0 HA LEU A 15 9.128 0.095 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.127 2.189 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.663 1.482 -4.601 1.00 0.00 H new ATOM 0 HG LEU A 15 6.117 0.540 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.384 1.229 -0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.363 0.239 -1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.598 2.002 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.550 2.660 -1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.646 3.525 -2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.204 2.703 -3.023 1.00 0.00 H new ATOM 217 N PHE A 16 6.314 -1.390 -4.445 1.00 0.00 N ATOM 218 CA PHE A 16 5.502 -2.567 -4.191 1.00 0.00 C ATOM 219 C PHE A 16 6.311 -3.848 -4.404 1.00 0.00 C ATOM 220 O PHE A 16 6.389 -4.693 -3.513 1.00 0.00 O ATOM 221 CB PHE A 16 4.344 -2.537 -5.191 1.00 0.00 C ATOM 222 CG PHE A 16 3.296 -1.462 -4.897 1.00 0.00 C ATOM 223 CD1 PHE A 16 3.472 -0.607 -3.854 1.00 0.00 C ATOM 224 CD2 PHE A 16 2.187 -1.362 -5.678 1.00 0.00 C ATOM 225 CE1 PHE A 16 2.499 0.390 -3.581 1.00 0.00 C ATOM 226 CE2 PHE A 16 1.214 -0.365 -5.405 1.00 0.00 C ATOM 227 CZ PHE A 16 1.390 0.490 -4.362 1.00 0.00 C ATOM 0 H PHE A 16 5.912 -0.731 -5.112 1.00 0.00 H new ATOM 0 HA PHE A 16 5.149 -2.559 -3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.745 -2.375 -6.191 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.857 -3.512 -5.197 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.352 -0.687 -3.233 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.047 -2.041 -6.506 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.639 1.069 -2.753 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.334 -0.285 -6.026 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.649 1.248 -4.154 1.00 0.00 H new ATOM 237 N ASN A 17 6.893 -3.952 -5.590 1.00 0.00 N ATOM 238 CA ASN A 17 7.693 -5.115 -5.931 1.00 0.00 C ATOM 239 C ASN A 17 8.790 -5.300 -4.881 1.00 0.00 C ATOM 240 O ASN A 17 8.911 -6.370 -4.286 1.00 0.00 O ATOM 241 CB ASN A 17 8.367 -4.939 -7.293 1.00 0.00 C ATOM 242 CG ASN A 17 7.372 -5.170 -8.432 1.00 0.00 C ATOM 243 OD1 ASN A 17 6.343 -4.521 -8.533 1.00 0.00 O ATOM 244 ND2 ASN A 17 7.733 -6.127 -9.281 1.00 0.00 N ATOM 0 H ASN A 17 6.826 -3.249 -6.326 1.00 0.00 H new ATOM 0 HA ASN A 17 7.032 -5.981 -5.965 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.785 -3.935 -7.369 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.198 -5.638 -7.384 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.135 -6.356 -10.075 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.608 -6.632 -9.138 1.00 0.00 H new ATOM 251 N THR A 18 9.563 -4.242 -4.686 1.00 0.00 N ATOM 252 CA THR A 18 10.646 -4.274 -3.718 1.00 0.00 C ATOM 253 C THR A 18 10.136 -4.767 -2.363 1.00 0.00 C ATOM 254 O THR A 18 10.696 -5.698 -1.786 1.00 0.00 O ATOM 255 CB THR A 18 11.271 -2.879 -3.661 1.00 0.00 C ATOM 256 OG1 THR A 18 11.880 -2.718 -4.939 1.00 0.00 O ATOM 257 CG2 THR A 18 12.441 -2.801 -2.678 1.00 0.00 C ATOM 0 H THR A 18 9.461 -3.357 -5.182 1.00 0.00 H new ATOM 0 HA THR A 18 11.421 -4.981 -4.015 1.00 0.00 H new ATOM 0 HB THR A 18 10.510 -2.152 -3.377 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.399 -2.031 -5.446 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.848 -1.790 -2.676 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.092 -3.053 -1.677 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.217 -3.504 -2.980 1.00 0.00 H new ATOM 265 N ARG A 19 9.078 -4.122 -1.894 1.00 0.00 N ATOM 266 CA ARG A 19 8.486 -4.483 -0.617 1.00 0.00 C ATOM 267 C ARG A 19 8.168 -5.979 -0.584 1.00 0.00 C ATOM 268 O ARG A 19 8.521 -6.671 0.370 1.00 0.00 O ATOM 269 CB ARG A 19 7.202 -3.690 -0.361 1.00 0.00 C ATOM 270 CG ARG A 19 7.513 -2.217 -0.089 1.00 0.00 C ATOM 271 CD ARG A 19 8.127 -2.034 1.300 1.00 0.00 C ATOM 272 NE ARG A 19 9.092 -0.912 1.282 1.00 0.00 N ATOM 273 CZ ARG A 19 9.873 -0.577 2.318 1.00 0.00 C ATOM 274 NH1 ARG A 19 9.808 -1.275 3.460 1.00 0.00 N ATOM 275 NH2 ARG A 19 10.720 0.457 2.212 1.00 0.00 N ATOM 0 H ARG A 19 8.615 -3.351 -2.376 1.00 0.00 H new ATOM 0 HA ARG A 19 9.209 -4.244 0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.541 -3.773 -1.224 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.670 -4.116 0.490 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.200 -1.841 -0.847 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.599 -1.628 -0.167 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.342 -1.838 2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.629 -2.951 1.609 1.00 0.00 H new ATOM 0 HE ARG A 19 9.167 -0.359 0.428 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.164 -2.062 3.541 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.403 -1.020 4.248 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.770 0.988 1.343 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.315 0.712 3.001 1.00 0.00 H new ATOM 289 N TYR A 20 7.505 -6.435 -1.637 1.00 0.00 N ATOM 290 CA TYR A 20 7.136 -7.836 -1.741 1.00 0.00 C ATOM 291 C TYR A 20 8.339 -8.741 -1.467 1.00 0.00 C ATOM 292 O TYR A 20 8.232 -9.712 -0.720 1.00 0.00 O ATOM 293 CB TYR A 20 6.674 -8.045 -3.184 1.00 0.00 C ATOM 294 CG TYR A 20 5.936 -9.365 -3.416 1.00 0.00 C ATOM 295 CD1 TYR A 20 4.808 -9.664 -2.681 1.00 0.00 C ATOM 296 CD2 TYR A 20 6.400 -10.257 -4.362 1.00 0.00 C ATOM 297 CE1 TYR A 20 4.113 -10.906 -2.899 1.00 0.00 C ATOM 298 CE2 TYR A 20 5.706 -11.500 -4.581 1.00 0.00 C ATOM 299 CZ TYR A 20 4.597 -11.763 -3.838 1.00 0.00 C ATOM 300 OH TYR A 20 3.941 -12.936 -4.045 1.00 0.00 O ATOM 0 H TYR A 20 7.214 -5.858 -2.426 1.00 0.00 H new ATOM 0 HA TYR A 20 6.362 -8.084 -1.015 1.00 0.00 H new ATOM 0 HB2 TYR A 20 6.020 -7.220 -3.468 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.542 -8.005 -3.842 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.446 -8.966 -1.941 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.283 -10.023 -4.938 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.228 -11.151 -2.330 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.058 -12.207 -5.318 1.00 0.00 H new ATOM 0 HH TYR A 20 4.592 -13.656 -4.181 1.00 0.00 H new ATOM 310 N ALA A 21 9.456 -8.391 -2.087 1.00 0.00 N ATOM 311 CA ALA A 21 10.678 -9.160 -1.920 1.00 0.00 C ATOM 312 C ALA A 21 10.901 -9.436 -0.431 1.00 0.00 C ATOM 313 O ALA A 21 11.137 -10.577 -0.036 1.00 0.00 O ATOM 314 CB ALA A 21 11.847 -8.405 -2.555 1.00 0.00 C ATOM 0 H ALA A 21 9.541 -7.585 -2.706 1.00 0.00 H new ATOM 0 HA ALA A 21 10.599 -10.122 -2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.763 -8.982 -2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.652 -8.260 -3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.960 -7.435 -2.071 1.00 0.00 H new ATOM 320 N LYS A 22 10.820 -8.372 0.354 1.00 0.00 N ATOM 321 CA LYS A 22 11.011 -8.485 1.790 1.00 0.00 C ATOM 322 C LYS A 22 9.983 -9.464 2.361 1.00 0.00 C ATOM 323 O LYS A 22 10.244 -10.129 3.362 1.00 0.00 O ATOM 324 CB LYS A 22 10.975 -7.103 2.446 1.00 0.00 C ATOM 325 CG LYS A 22 11.487 -7.167 3.886 1.00 0.00 C ATOM 326 CD LYS A 22 11.539 -5.771 4.512 1.00 0.00 C ATOM 327 CE LYS A 22 11.682 -5.857 6.033 1.00 0.00 C ATOM 328 NZ LYS A 22 12.763 -4.962 6.503 1.00 0.00 N ATOM 0 H LYS A 22 10.625 -7.427 0.023 1.00 0.00 H new ATOM 0 HA LYS A 22 11.997 -8.892 2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.585 -6.407 1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.955 -6.718 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.837 -7.811 4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.481 -7.614 3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.377 -5.213 4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.633 -5.221 4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.741 -5.581 6.509 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.899 -6.884 6.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.847 -5.032 7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.662 -5.243 6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.540 -3.981 6.240 1.00 0.00 H new ATOM 342 N ALA A 23 8.837 -9.521 1.700 1.00 0.00 N ATOM 343 CA ALA A 23 7.768 -10.407 2.129 1.00 0.00 C ATOM 344 C ALA A 23 8.137 -11.850 1.778 1.00 0.00 C ATOM 345 O ALA A 23 7.512 -12.790 2.267 1.00 0.00 O ATOM 346 CB ALA A 23 6.451 -9.969 1.485 1.00 0.00 C ATOM 0 H ALA A 23 8.625 -8.968 0.870 1.00 0.00 H new ATOM 0 HA ALA A 23 7.635 -10.353 3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.650 -10.634 1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.219 -8.948 1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.544 -10.013 0.400 1.00 0.00 H new ATOM 352 N ILE A 24 9.149 -11.980 0.934 1.00 0.00 N ATOM 353 CA ILE A 24 9.608 -13.292 0.512 1.00 0.00 C ATOM 354 C ILE A 24 11.079 -13.462 0.899 1.00 0.00 C ATOM 355 O ILE A 24 11.687 -14.491 0.606 1.00 0.00 O ATOM 356 CB ILE A 24 9.336 -13.501 -0.979 1.00 0.00 C ATOM 357 CG1 ILE A 24 9.861 -12.324 -1.803 1.00 0.00 C ATOM 358 CG2 ILE A 24 7.850 -13.762 -1.234 1.00 0.00 C ATOM 359 CD1 ILE A 24 9.730 -12.601 -3.302 1.00 0.00 C ATOM 0 H ILE A 24 9.665 -11.198 0.531 1.00 0.00 H new ATOM 0 HA ILE A 24 9.050 -14.074 1.027 1.00 0.00 H new ATOM 0 HB ILE A 24 9.879 -14.388 -1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.307 -11.421 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.906 -12.139 -1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.684 -13.907 -2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.540 -14.656 -0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.266 -12.909 -0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.111 -11.748 -3.864 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.305 -13.491 -3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.681 -12.762 -3.552 1.00 0.00 H new ATOM 371 N GLY A 25 11.609 -12.437 1.550 1.00 0.00 N ATOM 372 CA GLY A 25 12.996 -12.460 1.980 1.00 0.00 C ATOM 373 C GLY A 25 13.941 -12.239 0.796 1.00 0.00 C ATOM 374 O GLY A 25 15.072 -12.721 0.802 1.00 0.00 O ATOM 0 H GLY A 25 11.102 -11.585 1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.161 -11.687 2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.218 -13.416 2.453 1.00 0.00 H new ATOM 378 N ILE A 26 13.440 -11.511 -0.191 1.00 0.00 N ATOM 379 CA ILE A 26 14.225 -11.220 -1.379 1.00 0.00 C ATOM 380 C ILE A 26 14.755 -9.787 -1.297 1.00 0.00 C ATOM 381 O ILE A 26 14.078 -8.900 -0.779 1.00 0.00 O ATOM 382 CB ILE A 26 13.409 -11.503 -2.642 1.00 0.00 C ATOM 383 CG1 ILE A 26 13.205 -13.007 -2.838 1.00 0.00 C ATOM 384 CG2 ILE A 26 14.050 -10.847 -3.867 1.00 0.00 C ATOM 385 CD1 ILE A 26 13.068 -13.352 -4.322 1.00 0.00 C ATOM 0 H ILE A 26 12.500 -11.114 -0.193 1.00 0.00 H new ATOM 0 HA ILE A 26 15.092 -11.878 -1.433 1.00 0.00 H new ATOM 0 HB ILE A 26 12.422 -11.058 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 26 14.048 -13.551 -2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.312 -13.330 -2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.450 -11.064 -4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 26 14.100 -9.768 -3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 26 15.057 -11.241 -4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 26 12.924 -14.427 -4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 26 12.210 -12.825 -4.740 1.00 0.00 H new ATOM 0 HD13 ILE A 26 13.972 -13.050 -4.851 1.00 0.00 H new ATOM 397 N SER A 27 15.960 -9.605 -1.816 1.00 0.00 N ATOM 398 CA SER A 27 16.588 -8.295 -1.808 1.00 0.00 C ATOM 399 C SER A 27 16.131 -7.488 -3.025 1.00 0.00 C ATOM 400 O SER A 27 15.933 -6.278 -2.932 1.00 0.00 O ATOM 401 CB SER A 27 18.114 -8.416 -1.794 1.00 0.00 C ATOM 402 OG SER A 27 18.669 -8.026 -0.542 1.00 0.00 O ATOM 0 H SER A 27 16.518 -10.343 -2.245 1.00 0.00 H new ATOM 0 HA SER A 27 16.283 -7.775 -0.900 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.398 -9.446 -2.011 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.534 -7.796 -2.586 1.00 0.00 H new ATOM 0 HG SER A 27 19.644 -8.119 -0.573 1.00 0.00 H new ATOM 408 N GLU A 28 15.977 -8.191 -4.138 1.00 0.00 N ATOM 409 CA GLU A 28 15.547 -7.555 -5.371 1.00 0.00 C ATOM 410 C GLU A 28 14.020 -7.459 -5.414 1.00 0.00 C ATOM 411 O GLU A 28 13.330 -8.156 -4.673 1.00 0.00 O ATOM 412 CB GLU A 28 16.084 -8.305 -6.591 1.00 0.00 C ATOM 413 CG GLU A 28 15.211 -9.518 -6.917 1.00 0.00 C ATOM 414 CD GLU A 28 15.713 -10.234 -8.173 1.00 0.00 C ATOM 415 OE1 GLU A 28 16.838 -10.775 -8.106 1.00 0.00 O ATOM 416 OE2 GLU A 28 14.961 -10.224 -9.171 1.00 0.00 O ATOM 0 H GLU A 28 16.142 -9.195 -4.211 1.00 0.00 H new ATOM 0 HA GLU A 28 15.956 -6.545 -5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 28 16.116 -7.634 -7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 28 17.107 -8.629 -6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.214 -10.209 -6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.179 -9.199 -7.064 1.00 0.00 H new ATOM 423 N PRO A 29 13.526 -6.567 -6.314 1.00 0.00 N ATOM 424 CA PRO A 29 12.094 -6.372 -6.464 1.00 0.00 C ATOM 425 C PRO A 29 11.457 -7.540 -7.220 1.00 0.00 C ATOM 426 O PRO A 29 12.002 -8.010 -8.216 1.00 0.00 O ATOM 427 CB PRO A 29 11.952 -5.045 -7.193 1.00 0.00 C ATOM 428 CG PRO A 29 13.304 -4.775 -7.833 1.00 0.00 C ATOM 429 CD PRO A 29 14.313 -5.725 -7.209 1.00 0.00 C ATOM 0 HA PRO A 29 11.571 -6.345 -5.508 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.166 -5.095 -7.947 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.680 -4.247 -6.502 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.253 -4.927 -8.911 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.603 -3.740 -7.670 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.819 -6.320 -7.969 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.085 -5.181 -6.664 1.00 0.00 H new ATOM 437 N VAL A 30 10.311 -7.974 -6.716 1.00 0.00 N ATOM 438 CA VAL A 30 9.594 -9.078 -7.331 1.00 0.00 C ATOM 439 C VAL A 30 8.174 -8.627 -7.679 1.00 0.00 C ATOM 440 O VAL A 30 7.717 -7.586 -7.211 1.00 0.00 O ATOM 441 CB VAL A 30 9.624 -10.299 -6.409 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.669 -11.386 -6.908 1.00 0.00 C ATOM 443 CG2 VAL A 30 11.047 -10.843 -6.267 1.00 0.00 C ATOM 0 H VAL A 30 9.861 -7.581 -5.889 1.00 0.00 H new ATOM 0 HA VAL A 30 10.077 -9.377 -8.261 1.00 0.00 H new ATOM 0 HB VAL A 30 9.286 -9.983 -5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.709 -12.243 -6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.653 -10.993 -6.935 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.964 -11.697 -7.910 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.041 -11.710 -5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.424 -11.136 -7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.691 -10.071 -5.846 1.00 0.00 H new ATOM 453 N LYS A 31 7.516 -9.434 -8.499 1.00 0.00 N ATOM 454 CA LYS A 31 6.157 -9.130 -8.916 1.00 0.00 C ATOM 455 C LYS A 31 5.223 -9.236 -7.709 1.00 0.00 C ATOM 456 O LYS A 31 5.467 -10.024 -6.797 1.00 0.00 O ATOM 457 CB LYS A 31 5.746 -10.020 -10.091 1.00 0.00 C ATOM 458 CG LYS A 31 6.561 -9.685 -11.343 1.00 0.00 C ATOM 459 CD LYS A 31 5.978 -10.376 -12.577 1.00 0.00 C ATOM 460 CE LYS A 31 6.888 -11.511 -13.051 1.00 0.00 C ATOM 461 NZ LYS A 31 6.161 -12.405 -13.980 1.00 0.00 N ATOM 0 H LYS A 31 7.898 -10.297 -8.885 1.00 0.00 H new ATOM 0 HA LYS A 31 6.091 -8.106 -9.283 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.892 -11.067 -9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.684 -9.888 -10.298 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.571 -8.606 -11.497 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.596 -9.997 -11.202 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.989 -10.771 -12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.850 -9.649 -13.379 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.766 -11.098 -13.547 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.245 -12.081 -12.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.793 -13.170 -14.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.337 -12.813 -13.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.842 -11.861 -14.807 1.00 0.00 H new ATOM 475 N VAL A 32 4.171 -8.430 -7.743 1.00 0.00 N ATOM 476 CA VAL A 32 3.199 -8.423 -6.663 1.00 0.00 C ATOM 477 C VAL A 32 1.866 -8.969 -7.179 1.00 0.00 C ATOM 478 O VAL A 32 1.245 -8.372 -8.057 1.00 0.00 O ATOM 479 CB VAL A 32 3.080 -7.015 -6.075 1.00 0.00 C ATOM 480 CG1 VAL A 32 1.723 -6.817 -5.398 1.00 0.00 C ATOM 481 CG2 VAL A 32 4.225 -6.730 -5.101 1.00 0.00 C ATOM 0 H VAL A 32 3.971 -7.778 -8.501 1.00 0.00 H new ATOM 0 HA VAL A 32 3.525 -9.074 -5.852 1.00 0.00 H new ATOM 0 HB VAL A 32 3.152 -6.301 -6.896 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.664 -5.809 -4.989 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.927 -6.959 -6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.609 -7.543 -4.593 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.117 -5.723 -4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.198 -7.453 -4.286 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.177 -6.811 -5.625 1.00 0.00 H new ATOM 491 N PRO A 33 1.456 -10.128 -6.598 1.00 0.00 N ATOM 492 CA PRO A 33 0.208 -10.761 -6.989 1.00 0.00 C ATOM 493 C PRO A 33 -0.993 -10.008 -6.416 1.00 0.00 C ATOM 494 O PRO A 33 -1.705 -10.528 -5.558 1.00 0.00 O ATOM 495 CB PRO A 33 0.314 -12.189 -6.477 1.00 0.00 C ATOM 496 CG PRO A 33 1.406 -12.172 -5.420 1.00 0.00 C ATOM 497 CD PRO A 33 2.166 -10.863 -5.555 1.00 0.00 C ATOM 0 HA PRO A 33 0.051 -10.749 -8.068 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.633 -12.524 -6.055 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.563 -12.876 -7.285 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.974 -12.261 -4.423 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.079 -13.019 -5.553 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.173 -10.310 -4.616 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.206 -11.036 -5.831 1.00 0.00 H new ATOM 505 N TYR A 34 -1.182 -8.794 -6.913 1.00 0.00 N ATOM 506 CA TYR A 34 -2.285 -7.963 -6.460 1.00 0.00 C ATOM 507 C TYR A 34 -3.528 -8.809 -6.176 1.00 0.00 C ATOM 508 O TYR A 34 -4.060 -8.785 -5.068 1.00 0.00 O ATOM 509 CB TYR A 34 -2.589 -7.003 -7.611 1.00 0.00 C ATOM 510 CG TYR A 34 -1.469 -6.000 -7.897 1.00 0.00 C ATOM 511 CD1 TYR A 34 -0.732 -5.473 -6.856 1.00 0.00 C ATOM 512 CD2 TYR A 34 -1.196 -5.623 -9.196 1.00 0.00 C ATOM 513 CE1 TYR A 34 0.322 -4.530 -7.125 1.00 0.00 C ATOM 514 CE2 TYR A 34 -0.142 -4.679 -9.465 1.00 0.00 C ATOM 515 CZ TYR A 34 0.565 -4.179 -8.416 1.00 0.00 C ATOM 516 OH TYR A 34 1.561 -3.288 -8.671 1.00 0.00 O ATOM 0 H TYR A 34 -0.590 -8.366 -7.625 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.021 -7.442 -5.539 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.782 -7.583 -8.513 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.503 -6.456 -7.382 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.946 -5.768 -5.839 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.772 -6.036 -10.011 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.907 -4.111 -6.319 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.082 -4.375 -10.477 1.00 0.00 H new ATOM 0 HH TYR A 34 1.621 -3.132 -9.637 1.00 0.00 H new ATOM 526 N SER A 35 -3.954 -9.538 -7.197 1.00 0.00 N ATOM 527 CA SER A 35 -5.125 -10.390 -7.072 1.00 0.00 C ATOM 528 C SER A 35 -5.088 -11.135 -5.736 1.00 0.00 C ATOM 529 O SER A 35 -6.030 -11.052 -4.949 1.00 0.00 O ATOM 530 CB SER A 35 -5.210 -11.384 -8.232 1.00 0.00 C ATOM 531 OG SER A 35 -4.166 -12.353 -8.182 1.00 0.00 O ATOM 0 H SER A 35 -3.509 -9.556 -8.115 1.00 0.00 H new ATOM 0 HA SER A 35 -6.013 -9.759 -7.105 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.175 -11.889 -8.206 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.158 -10.844 -9.177 1.00 0.00 H new ATOM 0 HG SER A 35 -4.462 -13.126 -7.657 1.00 0.00 H new ATOM 537 N LYS A 36 -3.991 -11.847 -5.522 1.00 0.00 N ATOM 538 CA LYS A 36 -3.820 -12.606 -4.295 1.00 0.00 C ATOM 539 C LYS A 36 -4.146 -11.712 -3.097 1.00 0.00 C ATOM 540 O LYS A 36 -4.770 -12.160 -2.135 1.00 0.00 O ATOM 541 CB LYS A 36 -2.421 -13.224 -4.238 1.00 0.00 C ATOM 542 CG LYS A 36 -2.199 -14.186 -5.407 1.00 0.00 C ATOM 543 CD LYS A 36 -3.029 -15.459 -5.235 1.00 0.00 C ATOM 544 CE LYS A 36 -3.573 -15.945 -6.580 1.00 0.00 C ATOM 545 NZ LYS A 36 -4.980 -16.383 -6.442 1.00 0.00 N ATOM 0 H LYS A 36 -3.212 -11.914 -6.177 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.516 -13.445 -4.266 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.670 -12.435 -4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.292 -13.756 -3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.469 -13.696 -6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.142 -14.443 -5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.416 -16.239 -4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.856 -15.268 -4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.506 -15.145 -7.317 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.964 -16.770 -6.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.491 -16.194 -7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.008 -17.402 -6.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.431 -15.861 -5.664 1.00 0.00 H new ATOM 559 N PHE A 37 -3.710 -10.465 -3.194 1.00 0.00 N ATOM 560 CA PHE A 37 -3.948 -9.504 -2.130 1.00 0.00 C ATOM 561 C PHE A 37 -5.358 -8.919 -2.225 1.00 0.00 C ATOM 562 O PHE A 37 -5.892 -8.412 -1.240 1.00 0.00 O ATOM 563 CB PHE A 37 -2.928 -8.378 -2.308 1.00 0.00 C ATOM 564 CG PHE A 37 -1.529 -8.717 -1.788 1.00 0.00 C ATOM 565 CD1 PHE A 37 -0.738 -9.582 -2.478 1.00 0.00 C ATOM 566 CD2 PHE A 37 -1.077 -8.154 -0.635 1.00 0.00 C ATOM 567 CE1 PHE A 37 0.560 -9.896 -1.995 1.00 0.00 C ATOM 568 CE2 PHE A 37 0.221 -8.468 -0.153 1.00 0.00 C ATOM 569 CZ PHE A 37 1.012 -9.333 -0.843 1.00 0.00 C ATOM 0 H PHE A 37 -3.193 -10.098 -3.993 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.851 -9.991 -1.160 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.860 -8.127 -3.367 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.290 -7.489 -1.792 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.097 -10.030 -3.393 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.706 -7.468 -0.086 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.188 -10.582 -2.543 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.580 -8.020 0.762 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.999 -9.573 -0.476 1.00 0.00 H new ATOM 579 N LEU A 38 -5.921 -9.007 -3.421 1.00 0.00 N ATOM 580 CA LEU A 38 -7.259 -8.493 -3.658 1.00 0.00 C ATOM 581 C LEU A 38 -8.288 -9.509 -3.159 1.00 0.00 C ATOM 582 O LEU A 38 -9.111 -9.195 -2.301 1.00 0.00 O ATOM 583 CB LEU A 38 -7.434 -8.113 -5.130 1.00 0.00 C ATOM 584 CG LEU A 38 -6.556 -6.966 -5.636 1.00 0.00 C ATOM 585 CD1 LEU A 38 -6.664 -6.822 -7.155 1.00 0.00 C ATOM 586 CD2 LEU A 38 -6.888 -5.660 -4.910 1.00 0.00 C ATOM 0 H LEU A 38 -5.475 -9.427 -4.237 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.419 -7.574 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.232 -8.994 -5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.478 -7.845 -5.294 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.517 -7.205 -5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.031 -6.000 -7.489 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.340 -7.747 -7.632 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.699 -6.616 -7.428 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.250 -4.861 -5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.933 -5.403 -5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.718 -5.785 -3.841 1.00 0.00 H new ATOM 598 N MET A 39 -8.207 -10.708 -3.718 1.00 0.00 N ATOM 599 CA MET A 39 -9.121 -11.773 -3.340 1.00 0.00 C ATOM 600 C MET A 39 -8.874 -12.222 -1.899 1.00 0.00 C ATOM 601 O MET A 39 -9.765 -12.774 -1.255 1.00 0.00 O ATOM 602 CB MET A 39 -8.936 -12.963 -4.284 1.00 0.00 C ATOM 603 CG MET A 39 -9.080 -12.531 -5.745 1.00 0.00 C ATOM 604 SD MET A 39 -9.154 -13.968 -6.802 1.00 0.00 S ATOM 605 CE MET A 39 -7.433 -14.439 -6.806 1.00 0.00 C ATOM 0 H MET A 39 -7.523 -10.965 -4.429 1.00 0.00 H new ATOM 0 HA MET A 39 -10.140 -11.394 -3.413 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.953 -13.407 -4.127 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.673 -13.732 -4.054 1.00 0.00 H new ATOM 0 HG2 MET A 39 -9.982 -11.932 -5.868 1.00 0.00 H new ATOM 0 HG3 MET A 39 -8.237 -11.902 -6.031 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.033 -14.347 -7.816 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.876 -13.787 -6.134 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.338 -15.472 -6.471 1.00 0.00 H new ATOM 615 N HIS A 40 -7.660 -11.968 -1.433 1.00 0.00 N ATOM 616 CA HIS A 40 -7.285 -12.339 -0.079 1.00 0.00 C ATOM 617 C HIS A 40 -6.660 -11.135 0.628 1.00 0.00 C ATOM 618 O HIS A 40 -5.461 -11.123 0.900 1.00 0.00 O ATOM 619 CB HIS A 40 -6.367 -13.563 -0.086 1.00 0.00 C ATOM 620 CG HIS A 40 -6.777 -14.632 -1.072 1.00 0.00 C ATOM 621 ND1 HIS A 40 -7.583 -15.702 -0.725 1.00 0.00 N ATOM 622 CD2 HIS A 40 -6.484 -14.783 -2.395 1.00 0.00 C ATOM 623 CE1 HIS A 40 -7.760 -16.457 -1.800 1.00 0.00 C ATOM 624 NE2 HIS A 40 -7.078 -15.886 -2.833 1.00 0.00 N ATOM 0 H HIS A 40 -6.923 -11.510 -1.969 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.174 -12.626 0.483 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -5.351 -13.241 -0.316 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -6.346 -13.995 0.915 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -5.872 -14.118 -2.986 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -8.342 -17.365 -1.849 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -7.032 -16.247 -3.786 1.00 0.00 H new ATOM 632 N PRO A 41 -7.525 -10.124 0.914 1.00 0.00 N ATOM 633 CA PRO A 41 -7.071 -8.918 1.585 1.00 0.00 C ATOM 634 C PRO A 41 -6.828 -9.177 3.073 1.00 0.00 C ATOM 635 O PRO A 41 -6.066 -8.456 3.716 1.00 0.00 O ATOM 636 CB PRO A 41 -8.163 -7.892 1.332 1.00 0.00 C ATOM 637 CG PRO A 41 -9.396 -8.686 0.929 1.00 0.00 C ATOM 638 CD PRO A 41 -8.952 -10.104 0.607 1.00 0.00 C ATOM 0 HA PRO A 41 -6.113 -8.562 1.207 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.356 -7.298 2.226 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.871 -7.197 0.544 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.129 -8.689 1.736 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.877 -8.231 0.063 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.496 -10.835 1.205 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.135 -10.349 -0.439 1.00 0.00 H new ATOM 646 N GLU A 42 -7.489 -10.208 3.578 1.00 0.00 N ATOM 647 CA GLU A 42 -7.354 -10.571 4.978 1.00 0.00 C ATOM 648 C GLU A 42 -6.074 -11.382 5.195 1.00 0.00 C ATOM 649 O GLU A 42 -5.443 -11.282 6.247 1.00 0.00 O ATOM 650 CB GLU A 42 -8.581 -11.344 5.465 1.00 0.00 C ATOM 651 CG GLU A 42 -9.557 -10.419 6.195 1.00 0.00 C ATOM 652 CD GLU A 42 -9.929 -10.987 7.566 1.00 0.00 C ATOM 653 OE1 GLU A 42 -10.498 -12.100 7.584 1.00 0.00 O ATOM 654 OE2 GLU A 42 -9.637 -10.296 8.565 1.00 0.00 O ATOM 0 H GLU A 42 -8.120 -10.804 3.042 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.285 -9.655 5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.082 -11.810 4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.268 -12.148 6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.108 -9.433 6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.458 -10.288 5.595 1.00 0.00 H new ATOM 661 N GLU A 43 -5.729 -12.165 4.184 1.00 0.00 N ATOM 662 CA GLU A 43 -4.536 -12.992 4.252 1.00 0.00 C ATOM 663 C GLU A 43 -3.313 -12.197 3.791 1.00 0.00 C ATOM 664 O GLU A 43 -2.322 -12.101 4.514 1.00 0.00 O ATOM 665 CB GLU A 43 -4.705 -14.267 3.423 1.00 0.00 C ATOM 666 CG GLU A 43 -5.742 -15.198 4.055 1.00 0.00 C ATOM 667 CD GLU A 43 -7.113 -14.524 4.128 1.00 0.00 C ATOM 668 OE1 GLU A 43 -7.749 -14.413 3.058 1.00 0.00 O ATOM 669 OE2 GLU A 43 -7.494 -14.134 5.253 1.00 0.00 O ATOM 0 H GLU A 43 -6.254 -12.244 3.313 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.382 -13.290 5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.013 -14.008 2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.748 -14.783 3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.815 -16.116 3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.419 -15.482 5.057 1.00 0.00 H new ATOM 676 N LEU A 44 -3.422 -11.647 2.591 1.00 0.00 N ATOM 677 CA LEU A 44 -2.336 -10.863 2.026 1.00 0.00 C ATOM 678 C LEU A 44 -2.770 -9.400 1.922 1.00 0.00 C ATOM 679 O LEU A 44 -3.769 -9.089 1.276 1.00 0.00 O ATOM 680 CB LEU A 44 -1.878 -11.464 0.695 1.00 0.00 C ATOM 681 CG LEU A 44 -2.004 -12.984 0.567 1.00 0.00 C ATOM 682 CD1 LEU A 44 -1.966 -13.415 -0.901 1.00 0.00 C ATOM 683 CD2 LEU A 44 -0.938 -13.695 1.401 1.00 0.00 C ATOM 0 H LEU A 44 -4.245 -11.728 1.994 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.464 -10.892 2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.454 -11.003 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.835 -11.191 0.535 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.974 -13.281 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.057 -14.499 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.792 -12.949 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.021 -13.104 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.050 -14.774 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.052 -13.397 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.055 -13.422 2.450 1.00 0.00 H new ATOM 695 N PHE A 45 -1.997 -8.540 2.570 1.00 0.00 N ATOM 696 CA PHE A 45 -2.289 -7.116 2.559 1.00 0.00 C ATOM 697 C PHE A 45 -1.011 -6.293 2.735 1.00 0.00 C ATOM 698 O PHE A 45 0.074 -6.851 2.888 1.00 0.00 O ATOM 699 CB PHE A 45 -3.225 -6.843 3.738 1.00 0.00 C ATOM 700 CG PHE A 45 -2.670 -7.294 5.090 1.00 0.00 C ATOM 701 CD1 PHE A 45 -1.749 -6.530 5.736 1.00 0.00 C ATOM 702 CD2 PHE A 45 -3.099 -8.458 5.647 1.00 0.00 C ATOM 703 CE1 PHE A 45 -1.234 -6.949 6.992 1.00 0.00 C ATOM 704 CE2 PHE A 45 -2.584 -8.877 6.902 1.00 0.00 C ATOM 705 CZ PHE A 45 -1.663 -8.113 7.548 1.00 0.00 C ATOM 0 H PHE A 45 -1.169 -8.802 3.106 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.741 -6.836 1.608 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.436 -5.774 3.781 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.174 -7.348 3.560 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.409 -5.605 5.294 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.832 -9.064 5.135 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.502 -6.343 7.505 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.924 -9.802 7.343 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.272 -8.431 8.503 1.00 0.00 H new ATOM 715 N VAL A 46 -1.183 -4.980 2.708 1.00 0.00 N ATOM 716 CA VAL A 46 -0.057 -4.075 2.864 1.00 0.00 C ATOM 717 C VAL A 46 -0.341 -3.108 4.015 1.00 0.00 C ATOM 718 O VAL A 46 -1.460 -2.618 4.158 1.00 0.00 O ATOM 719 CB VAL A 46 0.227 -3.361 1.540 1.00 0.00 C ATOM 720 CG1 VAL A 46 1.309 -2.293 1.715 1.00 0.00 C ATOM 721 CG2 VAL A 46 0.614 -4.362 0.450 1.00 0.00 C ATOM 0 H VAL A 46 -2.085 -4.521 2.580 1.00 0.00 H new ATOM 0 HA VAL A 46 0.846 -4.629 3.120 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.689 -2.861 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.492 -1.801 0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.977 -1.555 2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.229 -2.761 2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.811 -3.829 -0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.510 -4.903 0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.202 -5.068 0.298 1.00 0.00 H new ATOM 731 N VAL A 47 0.693 -2.863 4.808 1.00 0.00 N ATOM 732 CA VAL A 47 0.569 -1.964 5.943 1.00 0.00 C ATOM 733 C VAL A 47 1.545 -0.798 5.773 1.00 0.00 C ATOM 734 O VAL A 47 2.608 -0.956 5.175 1.00 0.00 O ATOM 735 CB VAL A 47 0.780 -2.735 7.247 1.00 0.00 C ATOM 736 CG1 VAL A 47 -0.454 -3.571 7.595 1.00 0.00 C ATOM 737 CG2 VAL A 47 2.031 -3.611 7.169 1.00 0.00 C ATOM 0 H VAL A 47 1.620 -3.271 4.687 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.435 -1.543 5.989 1.00 0.00 H new ATOM 0 HB VAL A 47 0.929 -2.009 8.046 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.278 -4.109 8.526 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.317 -2.915 7.712 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.647 -4.285 6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.158 -4.148 8.109 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.924 -4.326 6.354 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.904 -2.984 6.989 1.00 0.00 H new ATOM 747 N GLY A 48 1.149 0.347 6.310 1.00 0.00 N ATOM 748 CA GLY A 48 1.976 1.538 6.226 1.00 0.00 C ATOM 749 C GLY A 48 1.426 2.514 5.183 1.00 0.00 C ATOM 750 O GLY A 48 1.748 3.701 5.208 1.00 0.00 O ATOM 0 H GLY A 48 0.266 0.475 6.805 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.018 2.026 7.200 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.997 1.259 5.966 1.00 0.00 H new ATOM 754 N LEU A 49 0.605 1.978 4.292 1.00 0.00 N ATOM 755 CA LEU A 49 0.008 2.787 3.243 1.00 0.00 C ATOM 756 C LEU A 49 -0.588 4.054 3.859 1.00 0.00 C ATOM 757 O LEU A 49 -0.953 4.066 5.034 1.00 0.00 O ATOM 758 CB LEU A 49 -0.999 1.962 2.439 1.00 0.00 C ATOM 759 CG LEU A 49 -0.409 1.035 1.374 1.00 0.00 C ATOM 760 CD1 LEU A 49 -1.444 0.010 0.905 1.00 0.00 C ATOM 761 CD2 LEU A 49 0.171 1.839 0.208 1.00 0.00 C ATOM 0 H LEU A 49 0.339 0.993 4.275 1.00 0.00 H new ATOM 0 HA LEU A 49 0.767 3.106 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.582 1.359 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.693 2.647 1.952 1.00 0.00 H new ATOM 0 HG LEU A 49 0.414 0.479 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.999 -0.636 0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.768 -0.594 1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.303 0.529 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.584 1.156 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.617 2.438 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.960 2.496 0.575 1.00 0.00 H new ATOM 773 N PRO A 50 -0.669 5.119 3.017 1.00 0.00 N ATOM 774 CA PRO A 50 -1.214 6.389 3.466 1.00 0.00 C ATOM 775 C PRO A 50 -2.738 6.321 3.583 1.00 0.00 C ATOM 776 O PRO A 50 -3.342 5.291 3.285 1.00 0.00 O ATOM 777 CB PRO A 50 -0.743 7.405 2.439 1.00 0.00 C ATOM 778 CG PRO A 50 -0.346 6.602 1.210 1.00 0.00 C ATOM 779 CD PRO A 50 -0.247 5.142 1.620 1.00 0.00 C ATOM 0 HA PRO A 50 -0.872 6.663 4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.534 8.116 2.202 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.101 7.981 2.818 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.084 6.727 0.418 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.608 6.953 0.816 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.888 4.513 1.002 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.770 4.767 1.508 1.00 0.00 H new ATOM 787 N GLU A 51 -3.316 7.430 4.019 1.00 0.00 N ATOM 788 CA GLU A 51 -4.758 7.509 4.180 1.00 0.00 C ATOM 789 C GLU A 51 -5.437 7.657 2.816 1.00 0.00 C ATOM 790 O GLU A 51 -4.948 8.383 1.951 1.00 0.00 O ATOM 791 CB GLU A 51 -5.144 8.660 5.112 1.00 0.00 C ATOM 792 CG GLU A 51 -4.597 9.992 4.594 1.00 0.00 C ATOM 793 CD GLU A 51 -5.269 11.172 5.299 1.00 0.00 C ATOM 794 OE1 GLU A 51 -6.516 11.237 5.232 1.00 0.00 O ATOM 795 OE2 GLU A 51 -4.522 11.982 5.888 1.00 0.00 O ATOM 0 H GLU A 51 -2.812 8.282 4.266 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.104 6.582 4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.229 8.716 5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.757 8.468 6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.520 10.034 4.754 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.762 10.064 3.519 1.00 0.00 H new ATOM 802 N GLY A 52 -6.552 6.958 2.667 1.00 0.00 N ATOM 803 CA GLY A 52 -7.303 7.002 1.424 1.00 0.00 C ATOM 804 C GLY A 52 -6.536 6.309 0.296 1.00 0.00 C ATOM 805 O GLY A 52 -6.677 6.673 -0.871 1.00 0.00 O ATOM 0 H GLY A 52 -6.954 6.357 3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.270 6.518 1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.501 8.038 1.151 1.00 0.00 H new ATOM 809 N ILE A 53 -5.741 5.322 0.683 1.00 0.00 N ATOM 810 CA ILE A 53 -4.952 4.575 -0.281 1.00 0.00 C ATOM 811 C ILE A 53 -4.812 3.127 0.194 1.00 0.00 C ATOM 812 O ILE A 53 -4.657 2.874 1.387 1.00 0.00 O ATOM 813 CB ILE A 53 -3.614 5.272 -0.534 1.00 0.00 C ATOM 814 CG1 ILE A 53 -3.822 6.745 -0.891 1.00 0.00 C ATOM 815 CG2 ILE A 53 -2.803 4.532 -1.600 1.00 0.00 C ATOM 816 CD1 ILE A 53 -2.516 7.382 -1.370 1.00 0.00 C ATOM 0 H ILE A 53 -5.627 5.023 1.651 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.457 4.547 -1.247 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.034 5.243 0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.580 6.831 -1.670 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.196 7.285 -0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.857 5.048 -1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.608 3.513 -1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.366 4.507 -2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.691 8.429 -1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.768 7.316 -0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.157 6.855 -2.254 1.00 0.00 H new ATOM 828 N SER A 54 -4.870 2.215 -0.765 1.00 0.00 N ATOM 829 CA SER A 54 -4.752 0.799 -0.460 1.00 0.00 C ATOM 830 C SER A 54 -3.784 0.132 -1.439 1.00 0.00 C ATOM 831 O SER A 54 -2.863 0.774 -1.941 1.00 0.00 O ATOM 832 CB SER A 54 -6.116 0.109 -0.509 1.00 0.00 C ATOM 833 OG SER A 54 -6.214 -0.948 0.442 1.00 0.00 O ATOM 0 H SER A 54 -4.997 2.429 -1.754 1.00 0.00 H new ATOM 0 HA SER A 54 -4.361 0.699 0.553 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.900 0.842 -0.319 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.286 -0.287 -1.510 1.00 0.00 H new ATOM 0 HG SER A 54 -7.100 -1.362 0.381 1.00 0.00 H new ATOM 839 N LEU A 55 -4.026 -1.148 -1.681 1.00 0.00 N ATOM 840 CA LEU A 55 -3.187 -1.909 -2.591 1.00 0.00 C ATOM 841 C LEU A 55 -3.933 -2.120 -3.910 1.00 0.00 C ATOM 842 O LEU A 55 -4.964 -2.790 -3.944 1.00 0.00 O ATOM 843 CB LEU A 55 -2.724 -3.210 -1.932 1.00 0.00 C ATOM 844 CG LEU A 55 -1.671 -4.013 -2.699 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.404 -3.184 -2.921 1.00 0.00 C ATOM 846 CD2 LEU A 55 -1.372 -5.338 -1.995 1.00 0.00 C ATOM 0 H LEU A 55 -4.791 -1.677 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.278 -1.355 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.324 -2.972 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.596 -3.846 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.075 -4.254 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.328 -3.778 -3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.650 -2.291 -3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.013 -2.892 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.621 -5.889 -2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.997 -5.140 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.285 -5.930 -1.931 1.00 0.00 H new ATOM 858 N ARG A 56 -3.383 -1.535 -4.964 1.00 0.00 N ATOM 859 CA ARG A 56 -3.984 -1.650 -6.282 1.00 0.00 C ATOM 860 C ARG A 56 -3.006 -1.167 -7.355 1.00 0.00 C ATOM 861 O ARG A 56 -2.033 -0.479 -7.049 1.00 0.00 O ATOM 862 CB ARG A 56 -5.274 -0.833 -6.373 1.00 0.00 C ATOM 863 CG ARG A 56 -6.461 -1.617 -5.808 1.00 0.00 C ATOM 864 CD ARG A 56 -7.703 -1.436 -6.682 1.00 0.00 C ATOM 865 NE ARG A 56 -8.702 -2.481 -6.365 1.00 0.00 N ATOM 866 CZ ARG A 56 -9.832 -2.675 -7.058 1.00 0.00 C ATOM 867 NH1 ARG A 56 -10.115 -1.896 -8.111 1.00 0.00 N ATOM 868 NH2 ARG A 56 -10.680 -3.649 -6.698 1.00 0.00 N ATOM 0 H ARG A 56 -2.528 -0.980 -4.932 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.221 -2.701 -6.447 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.156 0.101 -5.824 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.469 -0.570 -7.413 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.206 -2.675 -5.746 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.674 -1.281 -4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.133 -0.448 -6.517 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.428 -1.492 -7.735 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.519 -3.092 -5.569 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.470 -1.155 -8.385 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.975 -2.044 -8.638 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.465 -4.242 -5.897 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.540 -3.797 -7.225 1.00 0.00 H new ATOM 882 N ARG A 57 -3.299 -1.546 -8.591 1.00 0.00 N ATOM 883 CA ARG A 57 -2.457 -1.160 -9.711 1.00 0.00 C ATOM 884 C ARG A 57 -2.036 0.305 -9.578 1.00 0.00 C ATOM 885 O ARG A 57 -2.865 1.171 -9.305 1.00 0.00 O ATOM 886 CB ARG A 57 -3.188 -1.355 -11.041 1.00 0.00 C ATOM 887 CG ARG A 57 -2.619 -2.549 -11.809 1.00 0.00 C ATOM 888 CD ARG A 57 -3.686 -3.185 -12.703 1.00 0.00 C ATOM 889 NE ARG A 57 -3.044 -4.024 -13.739 1.00 0.00 N ATOM 890 CZ ARG A 57 -2.346 -3.536 -14.775 1.00 0.00 C ATOM 891 NH1 ARG A 57 -2.196 -2.212 -14.918 1.00 0.00 N ATOM 892 NH2 ARG A 57 -1.798 -4.373 -15.666 1.00 0.00 N ATOM 0 H ARG A 57 -4.107 -2.116 -8.841 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.573 -1.798 -9.698 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.251 -1.510 -10.857 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.098 -0.453 -11.646 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.775 -2.225 -12.418 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.239 -3.291 -11.106 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.363 -3.791 -12.101 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.288 -2.408 -13.174 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.138 -5.037 -13.660 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.613 -1.575 -14.239 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.665 -1.841 -15.706 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.912 -5.381 -15.556 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.267 -4.003 -16.454 1.00 0.00 H new ATOM 906 N PRO A 58 -0.712 0.543 -9.782 1.00 0.00 N ATOM 907 CA PRO A 58 -0.171 1.888 -9.688 1.00 0.00 C ATOM 908 C PRO A 58 -0.545 2.717 -10.918 1.00 0.00 C ATOM 909 O PRO A 58 0.327 3.260 -11.594 1.00 0.00 O ATOM 910 CB PRO A 58 1.330 1.697 -9.535 1.00 0.00 C ATOM 911 CG PRO A 58 1.622 0.284 -10.013 1.00 0.00 C ATOM 912 CD PRO A 58 0.299 -0.459 -10.107 1.00 0.00 C ATOM 0 HA PRO A 58 -0.577 2.447 -8.845 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.879 2.430 -10.126 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.637 1.829 -8.497 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.118 0.304 -10.983 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.295 -0.222 -9.321 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.145 -0.868 -11.105 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.265 -1.297 -9.410 1.00 0.00 H new ATOM 920 N ASN A 59 -1.844 2.788 -11.171 1.00 0.00 N ATOM 921 CA ASN A 59 -2.345 3.542 -12.308 1.00 0.00 C ATOM 922 C ASN A 59 -3.709 4.140 -11.956 1.00 0.00 C ATOM 923 O ASN A 59 -3.958 5.318 -12.209 1.00 0.00 O ATOM 924 CB ASN A 59 -2.524 2.641 -13.530 1.00 0.00 C ATOM 925 CG ASN A 59 -3.097 3.427 -14.712 1.00 0.00 C ATOM 926 OD1 ASN A 59 -3.881 4.349 -14.556 1.00 0.00 O ATOM 927 ND2 ASN A 59 -2.663 3.012 -15.899 1.00 0.00 N ATOM 0 H ASN A 59 -2.565 2.336 -10.608 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.622 4.324 -12.540 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.564 2.206 -13.809 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.189 1.814 -13.282 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.987 3.472 -16.750 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.006 2.234 -15.958 1.00 0.00 H new ATOM 934 N CYS A 60 -4.556 3.301 -11.379 1.00 0.00 N ATOM 935 CA CYS A 60 -5.888 3.732 -10.991 1.00 0.00 C ATOM 936 C CYS A 60 -5.750 4.922 -10.040 1.00 0.00 C ATOM 937 O CYS A 60 -6.671 5.727 -9.909 1.00 0.00 O ATOM 938 CB CYS A 60 -6.692 2.591 -10.364 1.00 0.00 C ATOM 939 SG CYS A 60 -8.460 3.051 -10.264 1.00 0.00 S ATOM 0 H CYS A 60 -4.346 2.325 -11.171 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.446 4.038 -11.876 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.577 1.685 -10.959 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.309 2.370 -9.368 1.00 0.00 H new ATOM 0 HG CYS A 60 -8.564 4.329 -10.053 1.00 0.00 H new ATOM 945 N PHE A 61 -4.592 4.997 -9.401 1.00 0.00 N ATOM 946 CA PHE A 61 -4.321 6.076 -8.467 1.00 0.00 C ATOM 947 C PHE A 61 -3.928 7.357 -9.206 1.00 0.00 C ATOM 948 O PHE A 61 -3.733 7.342 -10.420 1.00 0.00 O ATOM 949 CB PHE A 61 -3.149 5.626 -7.592 1.00 0.00 C ATOM 950 CG PHE A 61 -3.482 4.462 -6.656 1.00 0.00 C ATOM 951 CD1 PHE A 61 -3.370 3.181 -7.099 1.00 0.00 C ATOM 952 CD2 PHE A 61 -3.889 4.709 -5.382 1.00 0.00 C ATOM 953 CE1 PHE A 61 -3.679 2.101 -6.231 1.00 0.00 C ATOM 954 CE2 PHE A 61 -4.197 3.628 -4.514 1.00 0.00 C ATOM 955 CZ PHE A 61 -4.086 2.347 -4.956 1.00 0.00 C ATOM 0 H PHE A 61 -3.830 4.328 -9.512 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.212 6.289 -7.876 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.319 5.335 -8.236 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.808 6.472 -6.996 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.046 2.986 -8.111 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.978 5.726 -5.031 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.591 1.084 -6.583 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.520 3.824 -3.502 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.321 1.525 -4.296 1.00 0.00 H new ATOM 965 N GLY A 62 -3.823 8.435 -8.442 1.00 0.00 N ATOM 966 CA GLY A 62 -3.457 9.721 -9.010 1.00 0.00 C ATOM 967 C GLY A 62 -2.042 10.123 -8.589 1.00 0.00 C ATOM 968 O GLY A 62 -1.546 9.673 -7.558 1.00 0.00 O ATOM 0 H GLY A 62 -3.985 8.444 -7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.517 9.673 -10.097 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.167 10.482 -8.685 1.00 0.00 H new ATOM 972 N ILE A 63 -1.432 10.965 -9.410 1.00 0.00 N ATOM 973 CA ILE A 63 -0.083 11.433 -9.136 1.00 0.00 C ATOM 974 C ILE A 63 0.063 11.704 -7.638 1.00 0.00 C ATOM 975 O ILE A 63 0.943 11.145 -6.985 1.00 0.00 O ATOM 976 CB ILE A 63 0.255 12.638 -10.016 1.00 0.00 C ATOM 977 CG1 ILE A 63 0.782 12.191 -11.381 1.00 0.00 C ATOM 978 CG2 ILE A 63 1.229 13.579 -9.305 1.00 0.00 C ATOM 979 CD1 ILE A 63 -0.237 12.479 -12.484 1.00 0.00 C ATOM 0 H ILE A 63 -1.847 11.336 -10.265 1.00 0.00 H new ATOM 0 HA ILE A 63 0.647 10.666 -9.394 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.663 13.199 -10.194 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.716 12.707 -11.601 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.005 11.124 -11.357 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.453 14.427 -9.952 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.778 13.937 -8.379 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.151 13.044 -9.076 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.163 12.151 -13.444 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.162 11.942 -12.274 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.440 13.549 -12.522 1.00 0.00 H new ATOM 991 N ALA A 64 -0.812 12.564 -7.137 1.00 0.00 N ATOM 992 CA ALA A 64 -0.791 12.916 -5.727 1.00 0.00 C ATOM 993 C ALA A 64 -0.695 11.641 -4.888 1.00 0.00 C ATOM 994 O ALA A 64 0.184 11.519 -4.035 1.00 0.00 O ATOM 995 CB ALA A 64 -2.033 13.744 -5.389 1.00 0.00 C ATOM 0 H ALA A 64 -1.539 13.027 -7.682 1.00 0.00 H new ATOM 0 HA ALA A 64 0.082 13.528 -5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.018 14.008 -4.332 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.039 14.653 -5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.929 13.161 -5.604 1.00 0.00 H new ATOM 1001 N LYS A 65 -1.610 10.722 -5.159 1.00 0.00 N ATOM 1002 CA LYS A 65 -1.639 9.459 -4.439 1.00 0.00 C ATOM 1003 C LYS A 65 -0.305 8.736 -4.634 1.00 0.00 C ATOM 1004 O LYS A 65 0.392 8.440 -3.664 1.00 0.00 O ATOM 1005 CB LYS A 65 -2.854 8.631 -4.860 1.00 0.00 C ATOM 1006 CG LYS A 65 -4.156 9.384 -4.576 1.00 0.00 C ATOM 1007 CD LYS A 65 -5.363 8.450 -4.677 1.00 0.00 C ATOM 1008 CE LYS A 65 -6.290 8.619 -3.471 1.00 0.00 C ATOM 1009 NZ LYS A 65 -7.692 8.340 -3.852 1.00 0.00 N ATOM 0 H LYS A 65 -2.337 10.826 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.755 9.632 -3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.789 8.398 -5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.855 7.681 -4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.115 9.825 -3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.267 10.205 -5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.913 8.659 -5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.023 7.416 -4.737 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.983 7.945 -2.672 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.208 9.634 -3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.308 8.459 -3.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.987 9.000 -4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.769 7.364 -4.203 1.00 0.00 H new ATOM 1023 N LEU A 66 0.011 8.472 -5.893 1.00 0.00 N ATOM 1024 CA LEU A 66 1.249 7.789 -6.227 1.00 0.00 C ATOM 1025 C LEU A 66 2.374 8.314 -5.332 1.00 0.00 C ATOM 1026 O LEU A 66 3.089 7.535 -4.705 1.00 0.00 O ATOM 1027 CB LEU A 66 1.544 7.914 -7.723 1.00 0.00 C ATOM 1028 CG LEU A 66 0.574 7.193 -8.660 1.00 0.00 C ATOM 1029 CD1 LEU A 66 0.796 7.619 -10.113 1.00 0.00 C ATOM 1030 CD2 LEU A 66 0.669 5.676 -8.487 1.00 0.00 C ATOM 0 H LEU A 66 -0.569 8.719 -6.695 1.00 0.00 H new ATOM 0 HA LEU A 66 1.159 6.720 -6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.552 8.972 -7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.548 7.533 -7.908 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.441 7.485 -8.390 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.093 7.092 -10.758 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.637 8.693 -10.205 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.816 7.376 -10.412 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.031 5.188 -9.165 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.683 5.347 -8.714 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.423 5.411 -7.459 1.00 0.00 H new ATOM 1042 N ARG A 67 2.495 9.634 -5.302 1.00 0.00 N ATOM 1043 CA ARG A 67 3.520 10.273 -4.494 1.00 0.00 C ATOM 1044 C ARG A 67 3.404 9.824 -3.036 1.00 0.00 C ATOM 1045 O ARG A 67 4.345 9.262 -2.479 1.00 0.00 O ATOM 1046 CB ARG A 67 3.405 11.797 -4.563 1.00 0.00 C ATOM 1047 CG ARG A 67 3.903 12.324 -5.911 1.00 0.00 C ATOM 1048 CD ARG A 67 4.196 13.824 -5.838 1.00 0.00 C ATOM 1049 NE ARG A 67 5.630 14.073 -6.107 1.00 0.00 N ATOM 1050 CZ ARG A 67 6.130 15.260 -6.474 1.00 0.00 C ATOM 1051 NH1 ARG A 67 5.316 16.314 -6.619 1.00 0.00 N ATOM 1052 NH2 ARG A 67 7.445 15.393 -6.696 1.00 0.00 N ATOM 0 H ARG A 67 1.900 10.278 -5.824 1.00 0.00 H new ATOM 0 HA ARG A 67 4.490 9.975 -4.892 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.367 12.094 -4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.985 12.246 -3.756 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.805 11.787 -6.205 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.154 12.133 -6.680 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.583 14.358 -6.564 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.930 14.207 -4.853 1.00 0.00 H new ATOM 0 HE ARG A 67 6.278 13.292 -6.007 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.315 16.213 -6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.697 17.218 -6.898 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.065 14.590 -6.585 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.826 16.297 -6.976 1.00 0.00 H new ATOM 1066 N LYS A 68 2.240 10.090 -2.460 1.00 0.00 N ATOM 1067 CA LYS A 68 1.988 9.721 -1.077 1.00 0.00 C ATOM 1068 C LYS A 68 2.607 8.349 -0.799 1.00 0.00 C ATOM 1069 O LYS A 68 3.510 8.228 0.026 1.00 0.00 O ATOM 1070 CB LYS A 68 0.492 9.795 -0.767 1.00 0.00 C ATOM 1071 CG LYS A 68 0.170 11.019 0.093 1.00 0.00 C ATOM 1072 CD LYS A 68 -0.360 12.169 -0.766 1.00 0.00 C ATOM 1073 CE LYS A 68 -1.712 12.662 -0.248 1.00 0.00 C ATOM 1074 NZ LYS A 68 -1.526 13.544 0.926 1.00 0.00 N ATOM 0 H LYS A 68 1.462 10.556 -2.926 1.00 0.00 H new ATOM 0 HA LYS A 68 2.465 10.430 -0.400 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.074 9.841 -1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.179 8.889 -0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.570 10.753 0.848 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.066 11.340 0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.356 12.991 -0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.461 11.839 -1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.236 13.202 -1.037 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.336 11.811 0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.453 13.870 1.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.046 13.017 1.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.948 14.365 0.655 1.00 0.00 H new ATOM 1088 N ILE A 69 2.095 7.351 -1.505 1.00 0.00 N ATOM 1089 CA ILE A 69 2.586 5.993 -1.344 1.00 0.00 C ATOM 1090 C ILE A 69 4.116 6.006 -1.330 1.00 0.00 C ATOM 1091 O ILE A 69 4.736 5.492 -0.400 1.00 0.00 O ATOM 1092 CB ILE A 69 1.989 5.078 -2.415 1.00 0.00 C ATOM 1093 CG1 ILE A 69 0.490 4.872 -2.187 1.00 0.00 C ATOM 1094 CG2 ILE A 69 2.745 3.749 -2.485 1.00 0.00 C ATOM 1095 CD1 ILE A 69 -0.187 4.328 -3.447 1.00 0.00 C ATOM 0 H ILE A 69 1.346 7.456 -2.189 1.00 0.00 H new ATOM 0 HA ILE A 69 2.262 5.582 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 69 2.104 5.566 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.336 4.179 -1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.029 5.817 -1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.300 3.117 -3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.790 3.937 -2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.684 3.244 -1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.252 4.191 -3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.052 5.034 -4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.260 3.371 -3.716 1.00 0.00 H new ATOM 1107 N LEU A 70 4.680 6.600 -2.371 1.00 0.00 N ATOM 1108 CA LEU A 70 6.126 6.687 -2.490 1.00 0.00 C ATOM 1109 C LEU A 70 6.695 7.375 -1.247 1.00 0.00 C ATOM 1110 O LEU A 70 7.762 7.004 -0.762 1.00 0.00 O ATOM 1111 CB LEU A 70 6.516 7.369 -3.803 1.00 0.00 C ATOM 1112 CG LEU A 70 6.244 6.571 -5.079 1.00 0.00 C ATOM 1113 CD1 LEU A 70 6.423 7.445 -6.322 1.00 0.00 C ATOM 1114 CD2 LEU A 70 7.113 5.312 -5.135 1.00 0.00 C ATOM 0 H LEU A 70 4.162 7.026 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 70 6.565 5.690 -2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.982 8.317 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.580 7.605 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 70 5.204 6.245 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.224 6.853 -7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.728 8.284 -6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.445 7.822 -6.358 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.900 4.763 -6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.165 5.595 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.894 4.680 -4.275 1.00 0.00 H new ATOM 1126 N GLU A 71 5.957 8.366 -0.768 1.00 0.00 N ATOM 1127 CA GLU A 71 6.374 9.109 0.408 1.00 0.00 C ATOM 1128 C GLU A 71 6.230 8.243 1.662 1.00 0.00 C ATOM 1129 O GLU A 71 6.856 8.517 2.685 1.00 0.00 O ATOM 1130 CB GLU A 71 5.580 10.409 0.546 1.00 0.00 C ATOM 1131 CG GLU A 71 5.661 11.240 -0.737 1.00 0.00 C ATOM 1132 CD GLU A 71 5.809 12.729 -0.418 1.00 0.00 C ATOM 1133 OE1 GLU A 71 5.272 13.140 0.633 1.00 0.00 O ATOM 1134 OE2 GLU A 71 6.455 13.422 -1.232 1.00 0.00 O ATOM 0 H GLU A 71 5.072 8.671 -1.174 1.00 0.00 H new ATOM 0 HA GLU A 71 7.425 9.374 0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.538 10.181 0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.967 10.989 1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.508 10.907 -1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.764 11.080 -1.335 1.00 0.00 H new ATOM 1141 N ALA A 72 5.403 7.216 1.541 1.00 0.00 N ATOM 1142 CA ALA A 72 5.169 6.309 2.651 1.00 0.00 C ATOM 1143 C ALA A 72 5.738 4.931 2.307 1.00 0.00 C ATOM 1144 O ALA A 72 5.242 3.913 2.788 1.00 0.00 O ATOM 1145 CB ALA A 72 3.672 6.260 2.964 1.00 0.00 C ATOM 0 H ALA A 72 4.886 6.992 0.691 1.00 0.00 H new ATOM 0 HA ALA A 72 5.678 6.661 3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.497 5.579 3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.323 7.258 3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.128 5.908 2.087 1.00 0.00 H new ATOM 1151 N SER A 73 6.770 4.943 1.477 1.00 0.00 N ATOM 1152 CA SER A 73 7.412 3.707 1.063 1.00 0.00 C ATOM 1153 C SER A 73 7.947 2.960 2.286 1.00 0.00 C ATOM 1154 O SER A 73 7.665 1.776 2.467 1.00 0.00 O ATOM 1155 CB SER A 73 8.545 3.980 0.071 1.00 0.00 C ATOM 1156 OG SER A 73 9.570 4.789 0.641 1.00 0.00 O ATOM 0 H SER A 73 7.178 5.789 1.080 1.00 0.00 H new ATOM 0 HA SER A 73 6.668 3.087 0.563 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.972 3.034 -0.261 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.142 4.475 -0.813 1.00 0.00 H new ATOM 0 HG SER A 73 9.400 5.730 0.428 1.00 0.00 H new ATOM 1162 N ASN A 74 8.709 3.681 3.094 1.00 0.00 N ATOM 1163 CA ASN A 74 9.286 3.101 4.295 1.00 0.00 C ATOM 1164 C ASN A 74 8.178 2.448 5.123 1.00 0.00 C ATOM 1165 O ASN A 74 8.215 1.245 5.377 1.00 0.00 O ATOM 1166 CB ASN A 74 9.952 4.174 5.160 1.00 0.00 C ATOM 1167 CG ASN A 74 11.453 3.913 5.296 1.00 0.00 C ATOM 1168 OD1 ASN A 74 12.235 4.149 4.390 1.00 0.00 O ATOM 1169 ND2 ASN A 74 11.811 3.415 6.476 1.00 0.00 N ATOM 0 H ASN A 74 8.941 4.662 2.941 1.00 0.00 H new ATOM 0 HA ASN A 74 10.033 2.368 3.990 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.789 5.157 4.717 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.491 4.189 6.147 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.791 3.207 6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.105 3.241 7.191 1.00 0.00 H new ATOM 1176 N SER A 75 7.218 3.269 5.522 1.00 0.00 N ATOM 1177 CA SER A 75 6.101 2.786 6.317 1.00 0.00 C ATOM 1178 C SER A 75 5.471 1.564 5.645 1.00 0.00 C ATOM 1179 O SER A 75 5.202 0.560 6.303 1.00 0.00 O ATOM 1180 CB SER A 75 5.052 3.882 6.516 1.00 0.00 C ATOM 1181 OG SER A 75 4.652 4.469 5.281 1.00 0.00 O ATOM 0 H SER A 75 7.190 4.266 5.310 1.00 0.00 H new ATOM 0 HA SER A 75 6.478 2.499 7.299 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.180 3.462 7.017 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.455 4.655 7.171 1.00 0.00 H new ATOM 0 HG SER A 75 5.207 4.114 4.555 1.00 0.00 H new ATOM 1187 N ILE A 76 5.255 1.690 4.344 1.00 0.00 N ATOM 1188 CA ILE A 76 4.662 0.608 3.576 1.00 0.00 C ATOM 1189 C ILE A 76 5.379 -0.702 3.910 1.00 0.00 C ATOM 1190 O ILE A 76 6.567 -0.699 4.227 1.00 0.00 O ATOM 1191 CB ILE A 76 4.663 0.947 2.084 1.00 0.00 C ATOM 1192 CG1 ILE A 76 3.443 1.792 1.713 1.00 0.00 C ATOM 1193 CG2 ILE A 76 4.762 -0.322 1.234 1.00 0.00 C ATOM 1194 CD1 ILE A 76 3.405 2.069 0.208 1.00 0.00 C ATOM 0 H ILE A 76 5.480 2.524 3.802 1.00 0.00 H new ATOM 0 HA ILE A 76 3.615 0.477 3.849 1.00 0.00 H new ATOM 0 HB ILE A 76 5.547 1.548 1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.532 1.274 2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.469 2.735 2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.761 -0.053 0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.686 -0.849 1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.910 -0.969 1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.528 2.671 -0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.306 2.608 -0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.354 1.125 -0.335 1.00 0.00 H new ATOM 1206 N GLN A 77 4.626 -1.789 3.828 1.00 0.00 N ATOM 1207 CA GLN A 77 5.175 -3.103 4.118 1.00 0.00 C ATOM 1208 C GLN A 77 4.174 -4.193 3.731 1.00 0.00 C ATOM 1209 O GLN A 77 3.026 -4.172 4.171 1.00 0.00 O ATOM 1210 CB GLN A 77 5.570 -3.219 5.591 1.00 0.00 C ATOM 1211 CG GLN A 77 6.481 -4.427 5.821 1.00 0.00 C ATOM 1212 CD GLN A 77 7.309 -4.255 7.096 1.00 0.00 C ATOM 1213 OE1 GLN A 77 7.336 -3.202 7.712 1.00 0.00 O ATOM 1214 NE2 GLN A 77 7.981 -5.345 7.456 1.00 0.00 N ATOM 0 H GLN A 77 3.640 -1.787 3.565 1.00 0.00 H new ATOM 0 HA GLN A 77 6.078 -3.238 3.522 1.00 0.00 H new ATOM 0 HB2 GLN A 77 6.080 -2.309 5.907 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.674 -3.312 6.205 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.879 -5.333 5.894 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.145 -4.554 4.966 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.914 -6.194 6.895 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.563 -5.332 8.293 1.00 0.00 H new ATOM 1223 N PHE A 78 4.646 -5.121 2.911 1.00 0.00 N ATOM 1224 CA PHE A 78 3.807 -6.218 2.459 1.00 0.00 C ATOM 1225 C PHE A 78 3.809 -7.363 3.474 1.00 0.00 C ATOM 1226 O PHE A 78 4.734 -8.173 3.500 1.00 0.00 O ATOM 1227 CB PHE A 78 4.398 -6.720 1.140 1.00 0.00 C ATOM 1228 CG PHE A 78 4.010 -5.877 -0.076 1.00 0.00 C ATOM 1229 CD1 PHE A 78 4.238 -4.536 -0.075 1.00 0.00 C ATOM 1230 CD2 PHE A 78 3.438 -6.468 -1.159 1.00 0.00 C ATOM 1231 CE1 PHE A 78 3.878 -3.753 -1.204 1.00 0.00 C ATOM 1232 CE2 PHE A 78 3.079 -5.686 -2.288 1.00 0.00 C ATOM 1233 CZ PHE A 78 3.306 -4.345 -2.287 1.00 0.00 C ATOM 0 H PHE A 78 5.599 -5.136 2.548 1.00 0.00 H new ATOM 0 HA PHE A 78 2.779 -5.876 2.339 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.485 -6.739 1.224 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.073 -7.747 0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.693 -4.066 0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.257 -7.533 -1.160 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.058 -2.688 -1.203 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.625 -6.156 -3.148 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.032 -3.750 -3.146 1.00 0.00 H new ATOM 1243 N VAL A 79 2.761 -7.394 4.285 1.00 0.00 N ATOM 1244 CA VAL A 79 2.630 -8.426 5.299 1.00 0.00 C ATOM 1245 C VAL A 79 1.989 -9.668 4.676 1.00 0.00 C ATOM 1246 O VAL A 79 0.958 -9.572 4.012 1.00 0.00 O ATOM 1247 CB VAL A 79 1.847 -7.886 6.497 1.00 0.00 C ATOM 1248 CG1 VAL A 79 1.549 -8.999 7.504 1.00 0.00 C ATOM 1249 CG2 VAL A 79 2.594 -6.729 7.164 1.00 0.00 C ATOM 0 H VAL A 79 1.995 -6.721 4.260 1.00 0.00 H new ATOM 0 HA VAL A 79 3.610 -8.720 5.674 1.00 0.00 H new ATOM 0 HB VAL A 79 0.895 -7.503 6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.992 -8.588 8.346 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.957 -9.777 7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.486 -9.426 7.863 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.016 -6.364 8.013 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.567 -7.076 7.511 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.732 -5.922 6.444 1.00 0.00 H new ATOM 1259 N ILE A 80 2.627 -10.805 4.912 1.00 0.00 N ATOM 1260 CA ILE A 80 2.131 -12.065 4.382 1.00 0.00 C ATOM 1261 C ILE A 80 1.581 -12.914 5.530 1.00 0.00 C ATOM 1262 O ILE A 80 2.245 -13.089 6.551 1.00 0.00 O ATOM 1263 CB ILE A 80 3.217 -12.766 3.564 1.00 0.00 C ATOM 1264 CG1 ILE A 80 3.980 -11.765 2.693 1.00 0.00 C ATOM 1265 CG2 ILE A 80 2.628 -13.911 2.738 1.00 0.00 C ATOM 1266 CD1 ILE A 80 3.086 -11.215 1.579 1.00 0.00 C ATOM 0 H ILE A 80 3.482 -10.881 5.463 1.00 0.00 H new ATOM 0 HA ILE A 80 1.307 -11.890 3.691 1.00 0.00 H new ATOM 0 HB ILE A 80 3.936 -13.204 4.256 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.345 -10.944 3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.854 -12.249 2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.421 -14.392 2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.167 -14.640 3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.876 -13.517 2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.652 -10.506 0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.743 -12.036 0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.225 -10.711 2.019 1.00 0.00 H new ATOM 1278 N LYS A 81 0.374 -13.420 5.323 1.00 0.00 N ATOM 1279 CA LYS A 81 -0.273 -14.247 6.328 1.00 0.00 C ATOM 1280 C LYS A 81 -0.435 -15.668 5.785 1.00 0.00 C ATOM 1281 O LYS A 81 -0.198 -16.640 6.500 1.00 0.00 O ATOM 1282 CB LYS A 81 -1.587 -13.609 6.782 1.00 0.00 C ATOM 1283 CG LYS A 81 -1.394 -12.125 7.102 1.00 0.00 C ATOM 1284 CD LYS A 81 -1.330 -11.894 8.613 1.00 0.00 C ATOM 1285 CE LYS A 81 -2.676 -11.406 9.152 1.00 0.00 C ATOM 1286 NZ LYS A 81 -3.046 -12.152 10.375 1.00 0.00 N ATOM 0 H LYS A 81 -0.173 -13.273 4.475 1.00 0.00 H new ATOM 0 HA LYS A 81 0.347 -14.315 7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.339 -13.722 6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -1.962 -14.129 7.663 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.477 -11.765 6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.215 -11.548 6.677 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.048 -12.820 9.114 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.556 -11.160 8.840 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.621 -10.340 9.372 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.447 -11.536 8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.962 -11.808 10.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.118 -13.166 10.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.318 -12.007 11.104 1.00 0.00 H new ATOM 1300 N ARG A 82 -0.837 -15.744 4.525 1.00 0.00 N ATOM 1301 CA ARG A 82 -1.034 -17.030 3.878 1.00 0.00 C ATOM 1302 C ARG A 82 -0.494 -16.992 2.446 1.00 0.00 C ATOM 1303 O ARG A 82 -1.194 -16.572 1.526 1.00 0.00 O ATOM 1304 CB ARG A 82 -2.515 -17.410 3.847 1.00 0.00 C ATOM 1305 CG ARG A 82 -3.081 -17.527 5.264 1.00 0.00 C ATOM 1306 CD ARG A 82 -4.362 -18.364 5.276 1.00 0.00 C ATOM 1307 NE ARG A 82 -4.662 -18.810 6.654 1.00 0.00 N ATOM 1308 CZ ARG A 82 -5.737 -19.535 6.992 1.00 0.00 C ATOM 1309 NH1 ARG A 82 -6.621 -19.899 6.053 1.00 0.00 N ATOM 1310 NH2 ARG A 82 -5.929 -19.895 8.268 1.00 0.00 N ATOM 0 H ARG A 82 -1.032 -14.935 3.935 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.491 -17.778 4.455 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.075 -16.660 3.289 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.640 -18.357 3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.339 -17.983 5.919 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.288 -16.533 5.660 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.193 -17.777 4.886 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.248 -19.228 4.622 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.010 -18.549 7.393 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.475 -19.624 5.082 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.439 -20.451 6.310 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -5.257 -19.617 8.983 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.748 -20.447 8.525 1.00 0.00 H new ATOM 1324 N PRO A 83 0.779 -17.447 2.300 1.00 0.00 N ATOM 1325 CA PRO A 83 1.420 -17.469 0.996 1.00 0.00 C ATOM 1326 C PRO A 83 0.875 -18.611 0.136 1.00 0.00 C ATOM 1327 O PRO A 83 1.060 -18.620 -1.080 1.00 0.00 O ATOM 1328 CB PRO A 83 2.905 -17.604 1.290 1.00 0.00 C ATOM 1329 CG PRO A 83 3.002 -18.117 2.718 1.00 0.00 C ATOM 1330 CD PRO A 83 1.638 -17.951 3.367 1.00 0.00 C ATOM 0 HA PRO A 83 1.223 -16.568 0.415 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.380 -18.295 0.594 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.413 -16.645 1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.304 -19.164 2.728 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.759 -17.562 3.272 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.268 -18.898 3.759 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.680 -17.254 4.204 1.00 0.00 H new ATOM 1338 N GLU A 84 0.215 -19.548 0.802 1.00 0.00 N ATOM 1339 CA GLU A 84 -0.358 -20.692 0.114 1.00 0.00 C ATOM 1340 C GLU A 84 -1.308 -20.226 -0.991 1.00 0.00 C ATOM 1341 O GLU A 84 -1.570 -20.962 -1.942 1.00 0.00 O ATOM 1342 CB GLU A 84 -1.073 -21.621 1.096 1.00 0.00 C ATOM 1343 CG GLU A 84 -2.336 -20.961 1.655 1.00 0.00 C ATOM 1344 CD GLU A 84 -3.181 -21.969 2.436 1.00 0.00 C ATOM 1345 OE1 GLU A 84 -3.861 -22.778 1.768 1.00 0.00 O ATOM 1346 OE2 GLU A 84 -3.129 -21.908 3.684 1.00 0.00 O ATOM 0 H GLU A 84 0.065 -19.538 1.811 1.00 0.00 H new ATOM 0 HA GLU A 84 0.452 -21.258 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.336 -22.552 0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.400 -21.878 1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.060 -20.131 2.306 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.924 -20.543 0.838 1.00 0.00 H new ATOM 1353 N LEU A 85 -1.800 -19.006 -0.829 1.00 0.00 N ATOM 1354 CA LEU A 85 -2.716 -18.433 -1.801 1.00 0.00 C ATOM 1355 C LEU A 85 -1.944 -18.075 -3.073 1.00 0.00 C ATOM 1356 O LEU A 85 -2.401 -18.354 -4.180 1.00 0.00 O ATOM 1357 CB LEU A 85 -3.476 -17.254 -1.191 1.00 0.00 C ATOM 1358 CG LEU A 85 -4.297 -17.563 0.063 1.00 0.00 C ATOM 1359 CD1 LEU A 85 -4.837 -16.278 0.695 1.00 0.00 C ATOM 1360 CD2 LEU A 85 -5.413 -18.564 -0.244 1.00 0.00 C ATOM 0 H LEU A 85 -1.582 -18.399 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.477 -19.161 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.758 -16.471 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.146 -16.848 -1.949 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.639 -18.030 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.417 -16.526 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.005 -15.632 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.475 -15.760 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.981 -18.766 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.077 -18.148 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.978 -19.492 -0.613 1.00 0.00 H new ATOM 1372 N LEU A 86 -0.787 -17.461 -2.872 1.00 0.00 N ATOM 1373 CA LEU A 86 0.052 -17.062 -3.989 1.00 0.00 C ATOM 1374 C LEU A 86 0.158 -18.221 -4.982 1.00 0.00 C ATOM 1375 O LEU A 86 -0.070 -18.042 -6.177 1.00 0.00 O ATOM 1376 CB LEU A 86 1.406 -16.555 -3.487 1.00 0.00 C ATOM 1377 CG LEU A 86 1.359 -15.450 -2.431 1.00 0.00 C ATOM 1378 CD1 LEU A 86 2.770 -15.020 -2.024 1.00 0.00 C ATOM 1379 CD2 LEU A 86 0.516 -14.267 -2.912 1.00 0.00 C ATOM 0 H LEU A 86 -0.411 -17.230 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.397 -16.225 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.958 -17.400 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.974 -16.189 -4.342 1.00 0.00 H new ATOM 0 HG LEU A 86 0.874 -15.850 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.708 -14.233 -1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.306 -15.875 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.303 -14.645 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.499 -13.495 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.949 -13.859 -3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.502 -14.603 -3.112 1.00 0.00 H new ATOM 1391 N THR A 87 0.505 -19.384 -4.450 1.00 0.00 N ATOM 1392 CA THR A 87 0.644 -20.572 -5.274 1.00 0.00 C ATOM 1393 C THR A 87 -0.729 -21.067 -5.733 1.00 0.00 C ATOM 1394 O THR A 87 -1.286 -21.995 -5.148 1.00 0.00 O ATOM 1395 CB THR A 87 1.429 -21.613 -4.474 1.00 0.00 C ATOM 1396 OG1 THR A 87 0.672 -21.775 -3.278 1.00 0.00 O ATOM 1397 CG2 THR A 87 2.781 -21.083 -3.991 1.00 0.00 C ATOM 0 H THR A 87 0.694 -19.528 -3.458 1.00 0.00 H new ATOM 0 HA THR A 87 1.199 -20.357 -6.187 1.00 0.00 H new ATOM 0 HB THR A 87 1.585 -22.500 -5.088 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.284 -21.763 -3.492 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.297 -21.861 -3.429 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.386 -20.794 -4.850 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.624 -20.216 -3.350 1.00 0.00 H new ATOM 1405 N GLU A 88 -1.236 -20.425 -6.775 1.00 0.00 N ATOM 1406 CA GLU A 88 -2.534 -20.788 -7.319 1.00 0.00 C ATOM 1407 C GLU A 88 -2.826 -19.977 -8.582 1.00 0.00 C ATOM 1408 O GLU A 88 -2.499 -18.793 -8.653 1.00 0.00 O ATOM 1409 CB GLU A 88 -3.638 -20.597 -6.277 1.00 0.00 C ATOM 1410 CG GLU A 88 -4.545 -21.828 -6.207 1.00 0.00 C ATOM 1411 CD GLU A 88 -5.468 -21.760 -4.989 1.00 0.00 C ATOM 1412 OE1 GLU A 88 -5.986 -20.652 -4.730 1.00 0.00 O ATOM 1413 OE2 GLU A 88 -5.635 -22.818 -4.344 1.00 0.00 O ATOM 0 H GLU A 88 -0.772 -19.656 -7.257 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.511 -21.844 -7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.192 -20.413 -5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.231 -19.718 -6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.142 -21.897 -7.117 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.936 -22.731 -6.156 1.00 0.00 H new ATOM 1420 N GLY A 89 -3.439 -20.645 -9.548 1.00 0.00 N ATOM 1421 CA GLY A 89 -3.779 -20.001 -10.805 1.00 0.00 C ATOM 1422 C GLY A 89 -3.588 -20.959 -11.982 1.00 0.00 C ATOM 1423 O GLY A 89 -2.459 -21.233 -12.388 1.00 0.00 O ATOM 0 H GLY A 89 -3.709 -21.627 -9.485 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.814 -19.659 -10.774 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.156 -19.118 -10.945 1.00 0.00 H new ATOM 1427 N VAL A 90 -4.708 -21.444 -12.497 1.00 0.00 N ATOM 1428 CA VAL A 90 -4.679 -22.367 -13.619 1.00 0.00 C ATOM 1429 C VAL A 90 -3.614 -23.436 -13.367 1.00 0.00 C ATOM 1430 O VAL A 90 -3.068 -23.526 -12.268 1.00 0.00 O ATOM 1431 CB VAL A 90 -4.456 -21.598 -14.923 1.00 0.00 C ATOM 1432 CG1 VAL A 90 -2.969 -21.310 -15.143 1.00 0.00 C ATOM 1433 CG2 VAL A 90 -5.050 -22.353 -16.113 1.00 0.00 C ATOM 0 H VAL A 90 -5.642 -21.215 -12.158 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.637 -22.878 -13.718 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.973 -20.642 -14.841 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.839 -20.763 -16.077 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.588 -20.712 -14.315 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.420 -22.250 -15.194 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.878 -21.785 -17.027 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.574 -23.330 -16.198 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.122 -22.483 -15.963 1.00 0.00 H new ATOM 1443 N LYS A 91 -3.351 -24.220 -14.402 1.00 0.00 N ATOM 1444 CA LYS A 91 -2.362 -25.280 -14.306 1.00 0.00 C ATOM 1445 C LYS A 91 -2.182 -25.930 -15.680 1.00 0.00 C ATOM 1446 O LYS A 91 -2.686 -27.025 -15.923 1.00 0.00 O ATOM 1447 CB LYS A 91 -2.742 -26.269 -13.203 1.00 0.00 C ATOM 1448 CG LYS A 91 -1.522 -27.067 -12.737 1.00 0.00 C ATOM 1449 CD LYS A 91 -1.472 -28.438 -13.415 1.00 0.00 C ATOM 1450 CE LYS A 91 -0.604 -29.413 -12.617 1.00 0.00 C ATOM 1451 NZ LYS A 91 0.828 -29.071 -12.763 1.00 0.00 N ATOM 0 H LYS A 91 -3.806 -24.142 -15.312 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.394 -24.872 -14.017 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.172 -25.730 -12.359 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.509 -26.951 -13.570 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.612 -26.512 -12.964 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.557 -27.193 -11.655 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.482 -28.838 -13.510 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.074 -28.334 -14.425 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.886 -29.382 -11.565 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.778 -30.432 -12.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.403 -29.743 -12.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.097 -29.123 -13.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.992 -28.107 -12.410 1.00 0.00 H new ATOM 1465 N GLU A 92 -1.463 -25.226 -16.542 1.00 0.00 N ATOM 1466 CA GLU A 92 -1.210 -25.721 -17.884 1.00 0.00 C ATOM 1467 C GLU A 92 -0.257 -24.781 -18.626 1.00 0.00 C ATOM 1468 O GLU A 92 -0.267 -23.573 -18.395 1.00 0.00 O ATOM 1469 CB GLU A 92 -2.518 -25.898 -18.658 1.00 0.00 C ATOM 1470 CG GLU A 92 -3.241 -24.560 -18.826 1.00 0.00 C ATOM 1471 CD GLU A 92 -4.146 -24.577 -20.059 1.00 0.00 C ATOM 1472 OE1 GLU A 92 -5.295 -25.047 -19.914 1.00 0.00 O ATOM 1473 OE2 GLU A 92 -3.669 -24.119 -21.120 1.00 0.00 O ATOM 0 H GLU A 92 -1.048 -24.317 -16.337 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.736 -26.700 -17.806 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.310 -26.328 -19.638 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.164 -26.601 -18.132 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.836 -24.350 -17.937 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.510 -23.757 -18.918 1.00 0.00 H new ATOM 1480 N PRO A 93 0.564 -25.387 -19.524 1.00 0.00 N ATOM 1481 CA PRO A 93 1.522 -24.618 -20.301 1.00 0.00 C ATOM 1482 C PRO A 93 0.822 -23.837 -21.415 1.00 0.00 C ATOM 1483 O PRO A 93 0.763 -24.294 -22.555 1.00 0.00 O ATOM 1484 CB PRO A 93 2.515 -25.641 -20.826 1.00 0.00 C ATOM 1485 CG PRO A 93 1.822 -26.990 -20.715 1.00 0.00 C ATOM 1486 CD PRO A 93 0.604 -26.816 -19.824 1.00 0.00 C ATOM 0 HA PRO A 93 2.031 -23.858 -19.709 1.00 0.00 H new ATOM 0 HB2 PRO A 93 2.788 -25.426 -21.859 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.436 -25.626 -20.243 1.00 0.00 H new ATOM 0 HG2 PRO A 93 1.526 -27.349 -21.701 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.499 -27.734 -20.295 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.306 -27.140 -20.330 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.691 -27.409 -18.914 1.00 0.00 H new ATOM 1494 N SER A 94 0.310 -22.672 -21.046 1.00 0.00 N ATOM 1495 CA SER A 94 -0.383 -21.823 -22.000 1.00 0.00 C ATOM 1496 C SER A 94 0.630 -21.100 -22.890 1.00 0.00 C ATOM 1497 O SER A 94 1.293 -20.163 -22.447 1.00 0.00 O ATOM 1498 CB SER A 94 -1.280 -20.809 -21.285 1.00 0.00 C ATOM 1499 OG SER A 94 -2.423 -21.427 -20.701 1.00 0.00 O ATOM 0 H SER A 94 0.361 -22.296 -20.099 1.00 0.00 H new ATOM 0 HA SER A 94 -1.018 -22.455 -22.622 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.707 -20.301 -20.510 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.603 -20.047 -21.994 1.00 0.00 H new ATOM 0 HG SER A 94 -2.521 -22.335 -21.056 1.00 0.00 H new ATOM 1505 N GLY A 95 0.718 -21.563 -24.128 1.00 0.00 N ATOM 1506 CA GLY A 95 1.640 -20.972 -25.084 1.00 0.00 C ATOM 1507 C GLY A 95 1.080 -21.051 -26.506 1.00 0.00 C ATOM 1508 O GLY A 95 1.443 -21.942 -27.271 1.00 0.00 O ATOM 0 H GLY A 95 0.166 -22.340 -24.492 1.00 0.00 H new ATOM 0 HA2 GLY A 95 1.826 -19.931 -24.820 1.00 0.00 H new ATOM 0 HA3 GLY A 95 2.599 -21.489 -25.037 1.00 0.00 H new ATOM 1512 N PRO A 96 0.181 -20.081 -26.824 1.00 0.00 N ATOM 1513 CA PRO A 96 -0.433 -20.032 -28.140 1.00 0.00 C ATOM 1514 C PRO A 96 0.554 -19.509 -29.186 1.00 0.00 C ATOM 1515 O PRO A 96 1.315 -18.581 -28.917 1.00 0.00 O ATOM 1516 CB PRO A 96 -1.651 -19.138 -27.973 1.00 0.00 C ATOM 1517 CG PRO A 96 -1.417 -18.349 -26.695 1.00 0.00 C ATOM 1518 CD PRO A 96 -0.273 -19.009 -25.942 1.00 0.00 C ATOM 0 HA PRO A 96 -0.726 -21.017 -28.505 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -1.766 -18.472 -28.828 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -2.564 -19.730 -27.905 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.174 -17.312 -26.926 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -2.319 -18.336 -26.084 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.528 -18.299 -25.737 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -0.605 -19.401 -24.981 1.00 0.00 H new ATOM 1526 N SER A 97 0.509 -20.128 -30.356 1.00 0.00 N ATOM 1527 CA SER A 97 1.389 -19.737 -31.444 1.00 0.00 C ATOM 1528 C SER A 97 1.100 -20.586 -32.683 1.00 0.00 C ATOM 1529 O SER A 97 1.208 -21.811 -32.640 1.00 0.00 O ATOM 1530 CB SER A 97 2.858 -19.872 -31.039 1.00 0.00 C ATOM 1531 OG SER A 97 3.617 -18.718 -31.392 1.00 0.00 O ATOM 0 H SER A 97 -0.123 -20.898 -30.575 1.00 0.00 H new ATOM 0 HA SER A 97 1.199 -18.689 -31.678 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.924 -20.034 -29.963 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.288 -20.750 -31.521 1.00 0.00 H new ATOM 0 HG SER A 97 4.549 -18.842 -31.115 1.00 0.00 H new ATOM 1537 N SER A 98 0.737 -19.903 -33.759 1.00 0.00 N ATOM 1538 CA SER A 98 0.431 -20.580 -35.007 1.00 0.00 C ATOM 1539 C SER A 98 1.343 -20.060 -36.121 1.00 0.00 C ATOM 1540 O SER A 98 1.454 -18.852 -36.324 1.00 0.00 O ATOM 1541 CB SER A 98 -1.037 -20.390 -35.392 1.00 0.00 C ATOM 1542 OG SER A 98 -1.427 -19.019 -35.353 1.00 0.00 O ATOM 0 H SER A 98 0.648 -18.887 -33.792 1.00 0.00 H new ATOM 0 HA SER A 98 0.607 -21.647 -34.869 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.203 -20.786 -36.394 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.667 -20.965 -34.714 1.00 0.00 H new ATOM 0 HG SER A 98 -0.642 -18.451 -35.498 1.00 0.00 H new ATOM 1548 N GLY A 99 1.972 -20.998 -36.814 1.00 0.00 N ATOM 1549 CA GLY A 99 2.870 -20.650 -37.901 1.00 0.00 C ATOM 1550 C GLY A 99 3.613 -21.885 -38.416 1.00 0.00 C ATOM 1551 O GLY A 99 4.555 -21.766 -39.198 1.00 0.00 O ATOM 0 H GLY A 99 1.877 -21.999 -36.643 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.303 -20.197 -38.714 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.589 -19.905 -37.559 1.00 0.00 H new TER 1555 GLY A 99