USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 777 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 40 GLN : amide:sc= -0.897 K(o=-1.8,f=-2.7) USER MOD Set 1.2: A 56 ASN : amide:sc= -0.897 K(o=-1.8,f=-5.2!) USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 2 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0441) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00128 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -1.6 K(o=-1.6,f=-3.5!) USER MOD Single : A 16 THR OG1 : rot 89:sc= 1.2 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -126:sc= 1.24 USER MOD Single : A 37 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.26) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0388 USER MOD Single : A 47 GLN : amide:sc= -0.256 K(o=-0.26,f=-1.1) USER MOD Single : A 49 CYS SG : rot -116:sc= -5.76! USER MOD Single : A 62 HIS : no HD1:sc= -0.832 K(o=-0.83,f=-0.0011) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.19) USER MOD Single : A 68 GLN : amide:sc= -1.23 K(o=-1.2,f=-3.1!) USER MOD Single : A 71 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.1!) USER MOD Single : A 78 HIS : no HE2:sc= -1.58 K(o=-1.6,f=-2.1) USER MOD Single : A 82 GLN : amide:sc= -2.08! X(o=-2.1!,f=-2) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.880 -3.826 -21.415 1.00 0.00 N ATOM 2 CA MET A 1 -7.232 -2.672 -22.284 1.00 0.00 C ATOM 3 C MET A 1 -7.357 -1.387 -21.470 1.00 0.00 C ATOM 4 O MET A 1 -8.051 -1.350 -20.454 1.00 0.00 O ATOM 5 CB MET A 1 -8.552 -2.981 -22.994 1.00 0.00 C ATOM 6 CG MET A 1 -8.503 -2.751 -24.496 1.00 0.00 C ATOM 7 SD MET A 1 -10.002 -1.977 -25.132 1.00 0.00 S ATOM 8 CE MET A 1 -9.308 -0.666 -26.135 1.00 0.00 C ATOM 0 H1 MET A 1 -6.802 -4.686 -21.995 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.971 -3.642 -20.944 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.621 -3.959 -20.697 1.00 0.00 H new ATOM 0 HA MET A 1 -6.439 -2.520 -23.016 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.824 -4.019 -22.802 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.339 -2.361 -22.565 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.645 -2.122 -24.735 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.350 -3.705 -25.000 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.114 -0.096 -26.597 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.710 -0.006 -25.507 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.677 -1.098 -26.912 1.00 0.00 H new ATOM 17 N LYS A 2 -6.680 -0.337 -21.924 1.00 0.00 N ATOM 18 CA LYS A 2 -6.715 0.950 -21.238 1.00 0.00 C ATOM 19 C LYS A 2 -6.132 0.833 -19.833 1.00 0.00 C ATOM 20 O LYS A 2 -6.651 0.097 -18.993 1.00 0.00 O ATOM 21 CB LYS A 2 -8.149 1.477 -21.168 1.00 0.00 C ATOM 22 CG LYS A 2 -8.821 1.590 -22.527 1.00 0.00 C ATOM 23 CD LYS A 2 -9.735 2.804 -22.600 1.00 0.00 C ATOM 24 CE LYS A 2 -11.201 2.402 -22.582 1.00 0.00 C ATOM 25 NZ LYS A 2 -11.615 1.752 -23.856 1.00 0.00 N ATOM 0 H LYS A 2 -6.101 -0.352 -22.763 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.106 1.653 -21.806 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.740 0.816 -20.533 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.145 2.457 -20.691 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -8.061 1.659 -23.305 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.398 0.687 -22.724 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.528 3.467 -21.760 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.522 3.366 -23.509 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.380 1.719 -21.751 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.817 3.284 -22.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.653 1.693 -23.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.270 2.314 -24.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.212 0.795 -23.904 1.00 0.00 H new ATOM 39 N THR A 3 -5.050 1.564 -19.585 1.00 0.00 N ATOM 40 CA THR A 3 -4.394 1.543 -18.282 1.00 0.00 C ATOM 41 C THR A 3 -5.345 1.998 -17.179 1.00 0.00 C ATOM 42 O THR A 3 -5.185 1.624 -16.017 1.00 0.00 O ATOM 43 CB THR A 3 -3.152 2.434 -18.300 1.00 0.00 C ATOM 44 OG1 THR A 3 -2.389 2.208 -19.472 1.00 0.00 O ATOM 45 CG2 THR A 3 -2.242 2.216 -17.110 1.00 0.00 C ATOM 0 H THR A 3 -4.609 2.178 -20.269 1.00 0.00 H new ATOM 0 HA THR A 3 -4.095 0.516 -18.073 1.00 0.00 H new ATOM 0 HB THR A 3 -3.529 3.456 -18.266 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.600 2.789 -19.465 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.380 2.879 -17.185 1.00 0.00 H new ATOM 0 HG22 THR A 3 -2.787 2.431 -16.191 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.903 1.180 -17.096 1.00 0.00 H new ATOM 53 N ALA A 4 -6.335 2.807 -17.548 1.00 0.00 N ATOM 54 CA ALA A 4 -7.309 3.311 -16.585 1.00 0.00 C ATOM 55 C ALA A 4 -8.000 2.167 -15.851 1.00 0.00 C ATOM 56 O ALA A 4 -8.385 2.304 -14.690 1.00 0.00 O ATOM 57 CB ALA A 4 -8.335 4.189 -17.285 1.00 0.00 C ATOM 0 H ALA A 4 -6.483 3.127 -18.505 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.777 3.910 -15.846 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -9.056 4.559 -16.556 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.831 5.033 -17.756 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -8.855 3.606 -18.045 1.00 0.00 H new ATOM 63 N LEU A 5 -8.154 1.038 -16.536 1.00 0.00 N ATOM 64 CA LEU A 5 -8.798 -0.130 -15.948 1.00 0.00 C ATOM 65 C LEU A 5 -8.010 -0.636 -14.744 1.00 0.00 C ATOM 66 O LEU A 5 -8.587 -1.003 -13.720 1.00 0.00 O ATOM 67 CB LEU A 5 -8.934 -1.242 -16.992 1.00 0.00 C ATOM 68 CG LEU A 5 -10.371 -1.586 -17.388 1.00 0.00 C ATOM 69 CD1 LEU A 5 -10.385 -2.679 -18.445 1.00 0.00 C ATOM 70 CD2 LEU A 5 -11.172 -2.012 -16.167 1.00 0.00 C ATOM 0 H LEU A 5 -7.842 0.908 -17.498 1.00 0.00 H new ATOM 0 HA LEU A 5 -9.792 0.163 -15.610 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.387 -0.947 -17.888 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.454 -2.142 -16.607 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.836 -0.695 -17.810 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -11.415 -2.911 -18.715 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.847 -2.337 -19.329 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.903 -3.573 -18.050 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.192 -2.253 -16.467 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.709 -2.890 -15.716 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -11.190 -1.199 -15.442 1.00 0.00 H new ATOM 82 N LEU A 6 -6.687 -0.653 -14.874 1.00 0.00 N ATOM 83 CA LEU A 6 -5.819 -1.114 -13.797 1.00 0.00 C ATOM 84 C LEU A 6 -5.666 -0.041 -12.723 1.00 0.00 C ATOM 85 O LEU A 6 -5.498 -0.349 -11.544 1.00 0.00 O ATOM 86 CB LEU A 6 -4.445 -1.496 -14.350 1.00 0.00 C ATOM 87 CG LEU A 6 -4.456 -2.608 -15.401 1.00 0.00 C ATOM 88 CD1 LEU A 6 -3.155 -2.610 -16.189 1.00 0.00 C ATOM 89 CD2 LEU A 6 -4.684 -3.960 -14.742 1.00 0.00 C ATOM 0 H LEU A 6 -6.193 -0.353 -15.714 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.279 -1.992 -13.345 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.987 -0.609 -14.787 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.810 -1.807 -13.520 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.276 -2.420 -16.094 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.181 -3.407 -16.932 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.032 -1.650 -16.691 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.318 -2.774 -15.510 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.689 -4.740 -15.504 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.885 -4.156 -14.027 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.642 -3.954 -14.222 1.00 0.00 H new ATOM 101 N LEU A 7 -5.726 1.219 -13.141 1.00 0.00 N ATOM 102 CA LEU A 7 -5.594 2.338 -12.214 1.00 0.00 C ATOM 103 C LEU A 7 -6.740 2.350 -11.207 1.00 0.00 C ATOM 104 O LEU A 7 -6.516 2.404 -9.998 1.00 0.00 O ATOM 105 CB LEU A 7 -5.561 3.661 -12.982 1.00 0.00 C ATOM 106 CG LEU A 7 -4.893 4.822 -12.243 1.00 0.00 C ATOM 107 CD1 LEU A 7 -3.404 4.864 -12.549 1.00 0.00 C ATOM 108 CD2 LEU A 7 -5.553 6.141 -12.617 1.00 0.00 C ATOM 0 H LEU A 7 -5.865 1.491 -14.114 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.658 2.217 -11.669 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.039 3.503 -13.926 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.584 3.947 -13.227 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.018 4.666 -11.172 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.946 5.696 -12.015 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.941 3.930 -12.231 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.256 4.996 -13.621 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.066 6.956 -12.082 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.459 6.304 -13.691 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.608 6.109 -12.346 1.00 0.00 H new ATOM 120 N GLU A 8 -7.967 2.301 -11.714 1.00 0.00 N ATOM 121 CA GLU A 8 -9.148 2.307 -10.859 1.00 0.00 C ATOM 122 C GLU A 8 -9.148 1.104 -9.920 1.00 0.00 C ATOM 123 O GLU A 8 -9.664 1.175 -8.805 1.00 0.00 O ATOM 124 CB GLU A 8 -10.420 2.303 -11.709 1.00 0.00 C ATOM 125 CG GLU A 8 -10.490 1.147 -12.694 1.00 0.00 C ATOM 126 CD GLU A 8 -11.872 0.529 -12.770 1.00 0.00 C ATOM 127 OE1 GLU A 8 -12.709 1.040 -13.543 1.00 0.00 O ATOM 128 OE2 GLU A 8 -12.117 -0.467 -12.057 1.00 0.00 O ATOM 0 H GLU A 8 -8.170 2.257 -12.713 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.124 3.215 -10.257 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.287 2.261 -11.050 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.483 3.242 -12.259 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.199 1.499 -13.683 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.770 0.382 -12.403 1.00 0.00 H new ATOM 135 N LYS A 9 -8.567 0.001 -10.379 1.00 0.00 N ATOM 136 CA LYS A 9 -8.501 -1.217 -9.579 1.00 0.00 C ATOM 137 C LYS A 9 -7.578 -1.033 -8.379 1.00 0.00 C ATOM 138 O LYS A 9 -7.943 -1.355 -7.248 1.00 0.00 O ATOM 139 CB LYS A 9 -8.016 -2.388 -10.435 1.00 0.00 C ATOM 140 CG LYS A 9 -8.676 -3.712 -10.085 1.00 0.00 C ATOM 141 CD LYS A 9 -9.079 -4.483 -11.331 1.00 0.00 C ATOM 142 CE LYS A 9 -10.367 -5.261 -11.114 1.00 0.00 C ATOM 143 NZ LYS A 9 -10.355 -6.567 -11.830 1.00 0.00 N ATOM 0 H LYS A 9 -8.135 -0.075 -11.300 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.504 -1.434 -9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.206 -2.163 -11.485 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.937 -2.488 -10.321 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.990 -4.315 -9.489 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.557 -3.529 -9.469 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.207 -3.790 -12.163 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.280 -5.171 -11.609 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.512 -5.433 -10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.213 -4.666 -11.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.251 -7.066 -11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.243 -6.402 -12.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.563 -7.146 -11.483 1.00 0.00 H new ATOM 157 N LEU A 10 -6.382 -0.513 -8.633 1.00 0.00 N ATOM 158 CA LEU A 10 -5.407 -0.287 -7.572 1.00 0.00 C ATOM 159 C LEU A 10 -5.956 0.677 -6.525 1.00 0.00 C ATOM 160 O LEU A 10 -5.930 0.390 -5.328 1.00 0.00 O ATOM 161 CB LEU A 10 -4.103 0.261 -8.159 1.00 0.00 C ATOM 162 CG LEU A 10 -2.989 -0.771 -8.337 1.00 0.00 C ATOM 163 CD1 LEU A 10 -2.480 -1.245 -6.985 1.00 0.00 C ATOM 164 CD2 LEU A 10 -3.483 -1.948 -9.165 1.00 0.00 C ATOM 0 H LEU A 10 -6.065 -0.240 -9.563 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.205 -1.242 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.319 0.710 -9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.738 1.059 -7.512 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.162 -0.299 -8.868 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.688 -1.979 -7.131 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.089 -0.395 -6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.298 -1.701 -6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.678 -2.674 -9.282 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.326 -2.420 -8.660 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.799 -1.595 -10.147 1.00 0.00 H new ATOM 176 N GLU A 11 -6.451 1.822 -6.984 1.00 0.00 N ATOM 177 CA GLU A 11 -7.006 2.829 -6.086 1.00 0.00 C ATOM 178 C GLU A 11 -8.258 2.306 -5.389 1.00 0.00 C ATOM 179 O GLU A 11 -8.485 2.580 -4.211 1.00 0.00 O ATOM 180 CB GLU A 11 -7.333 4.107 -6.860 1.00 0.00 C ATOM 181 CG GLU A 11 -6.215 5.136 -6.837 1.00 0.00 C ATOM 182 CD GLU A 11 -6.468 6.295 -7.781 1.00 0.00 C ATOM 183 OE1 GLU A 11 -6.621 6.048 -8.996 1.00 0.00 O ATOM 184 OE2 GLU A 11 -6.515 7.449 -7.306 1.00 0.00 O ATOM 0 H GLU A 11 -6.479 2.076 -7.972 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.258 3.055 -5.326 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.555 3.848 -7.895 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.235 4.554 -6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.099 5.518 -5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.276 4.652 -7.105 1.00 0.00 H new ATOM 191 N GLY A 12 -9.069 1.554 -6.126 1.00 0.00 N ATOM 192 CA GLY A 12 -10.289 1.006 -5.562 1.00 0.00 C ATOM 193 C GLY A 12 -10.021 0.048 -4.419 1.00 0.00 C ATOM 194 O GLY A 12 -10.707 0.083 -3.397 1.00 0.00 O ATOM 0 H GLY A 12 -8.903 1.314 -7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.920 1.821 -5.208 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.846 0.488 -6.343 1.00 0.00 H new ATOM 198 N GLN A 13 -9.022 -0.812 -4.590 1.00 0.00 N ATOM 199 CA GLN A 13 -8.667 -1.786 -3.564 1.00 0.00 C ATOM 200 C GLN A 13 -8.049 -1.098 -2.350 1.00 0.00 C ATOM 201 O GLN A 13 -8.454 -1.342 -1.214 1.00 0.00 O ATOM 202 CB GLN A 13 -7.693 -2.822 -4.129 1.00 0.00 C ATOM 203 CG GLN A 13 -7.946 -4.233 -3.625 1.00 0.00 C ATOM 204 CD GLN A 13 -6.683 -5.071 -3.583 1.00 0.00 C ATOM 205 OE1 GLN A 13 -5.912 -5.006 -2.625 1.00 0.00 O ATOM 206 NE2 GLN A 13 -6.465 -5.866 -4.625 1.00 0.00 N ATOM 0 H GLN A 13 -8.444 -0.854 -5.429 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.580 -2.291 -3.247 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.760 -2.816 -5.217 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.675 -2.530 -3.871 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.380 -4.186 -2.626 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.679 -4.719 -4.269 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.131 -5.888 -5.398 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.632 -6.454 -4.652 1.00 0.00 H new ATOM 215 N LEU A 14 -7.065 -0.240 -2.600 1.00 0.00 N ATOM 216 CA LEU A 14 -6.391 0.482 -1.527 1.00 0.00 C ATOM 217 C LEU A 14 -7.373 1.363 -0.761 1.00 0.00 C ATOM 218 O LEU A 14 -7.251 1.536 0.452 1.00 0.00 O ATOM 219 CB LEU A 14 -5.256 1.337 -2.094 1.00 0.00 C ATOM 220 CG LEU A 14 -4.013 1.434 -1.208 1.00 0.00 C ATOM 221 CD1 LEU A 14 -2.937 2.266 -1.888 1.00 0.00 C ATOM 222 CD2 LEU A 14 -4.371 2.027 0.147 1.00 0.00 C ATOM 0 H LEU A 14 -6.717 -0.028 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.975 -0.251 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.963 0.929 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.635 2.343 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.621 0.429 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.060 2.324 -1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.661 1.801 -2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.317 3.270 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.475 2.089 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.787 3.025 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.108 1.392 0.639 1.00 0.00 H new ATOM 234 N ALA A 15 -8.345 1.918 -1.476 1.00 0.00 N ATOM 235 CA ALA A 15 -9.347 2.782 -0.864 1.00 0.00 C ATOM 236 C ALA A 15 -10.249 1.994 0.081 1.00 0.00 C ATOM 237 O ALA A 15 -10.540 2.438 1.192 1.00 0.00 O ATOM 238 CB ALA A 15 -10.178 3.468 -1.937 1.00 0.00 C ATOM 0 H ALA A 15 -8.460 1.785 -2.481 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.827 3.542 -0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.922 4.110 -1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.528 4.071 -2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.681 2.715 -2.545 1.00 0.00 H new ATOM 244 N THR A 16 -10.688 0.823 -0.367 1.00 0.00 N ATOM 245 CA THR A 16 -11.557 -0.027 0.438 1.00 0.00 C ATOM 246 C THR A 16 -10.781 -0.676 1.580 1.00 0.00 C ATOM 247 O THR A 16 -11.309 -0.861 2.676 1.00 0.00 O ATOM 248 CB THR A 16 -12.200 -1.106 -0.434 1.00 0.00 C ATOM 249 OG1 THR A 16 -12.568 -0.578 -1.696 1.00 0.00 O ATOM 250 CG2 THR A 16 -13.438 -1.718 0.186 1.00 0.00 C ATOM 0 H THR A 16 -10.456 0.441 -1.284 1.00 0.00 H new ATOM 0 HA THR A 16 -12.340 0.600 0.866 1.00 0.00 H new ATOM 0 HB THR A 16 -11.443 -1.883 -0.537 1.00 0.00 H new ATOM 0 HG1 THR A 16 -11.815 -0.662 -2.318 1.00 0.00 H new ATOM 0 HG21 THR A 16 -13.844 -2.476 -0.484 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.178 -2.179 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.185 -0.941 0.350 1.00 0.00 H new ATOM 258 N LEU A 17 -9.525 -1.020 1.315 1.00 0.00 N ATOM 259 CA LEU A 17 -8.676 -1.650 2.320 1.00 0.00 C ATOM 260 C LEU A 17 -8.301 -0.657 3.416 1.00 0.00 C ATOM 261 O LEU A 17 -8.210 -1.017 4.589 1.00 0.00 O ATOM 262 CB LEU A 17 -7.411 -2.212 1.669 1.00 0.00 C ATOM 263 CG LEU A 17 -6.929 -3.547 2.239 1.00 0.00 C ATOM 264 CD1 LEU A 17 -6.741 -3.448 3.745 1.00 0.00 C ATOM 265 CD2 LEU A 17 -7.910 -4.658 1.894 1.00 0.00 C ATOM 0 H LEU A 17 -9.072 -0.873 0.413 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.237 -2.468 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.594 -2.335 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.611 -1.479 1.773 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.966 -3.786 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.398 -4.407 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.001 -2.680 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.690 -3.186 4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.552 -5.601 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.887 -4.425 2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.995 -4.745 0.811 1.00 0.00 H new ATOM 277 N ARG A 18 -8.083 0.595 3.025 1.00 0.00 N ATOM 278 CA ARG A 18 -7.717 1.639 3.974 1.00 0.00 C ATOM 279 C ARG A 18 -8.931 2.099 4.775 1.00 0.00 C ATOM 280 O ARG A 18 -8.808 2.499 5.932 1.00 0.00 O ATOM 281 CB ARG A 18 -7.097 2.830 3.239 1.00 0.00 C ATOM 282 CG ARG A 18 -6.133 3.637 4.094 1.00 0.00 C ATOM 283 CD ARG A 18 -4.988 4.198 3.265 1.00 0.00 C ATOM 284 NE ARG A 18 -4.655 5.568 3.648 1.00 0.00 N ATOM 285 CZ ARG A 18 -5.360 6.634 3.276 1.00 0.00 C ATOM 286 NH1 ARG A 18 -6.436 6.493 2.512 1.00 0.00 N ATOM 287 NH2 ARG A 18 -4.988 7.845 3.670 1.00 0.00 N ATOM 0 H ARG A 18 -8.154 0.910 2.058 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.984 1.224 4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.571 2.468 2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.894 3.485 2.888 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.669 4.455 4.576 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.734 3.006 4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.109 3.564 3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.258 4.172 2.209 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.834 5.716 4.235 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.727 5.564 2.207 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.972 7.314 2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.162 7.959 4.258 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.528 8.662 3.385 1.00 0.00 H new ATOM 301 N GLN A 19 -10.103 2.039 4.151 1.00 0.00 N ATOM 302 CA GLN A 19 -11.339 2.450 4.807 1.00 0.00 C ATOM 303 C GLN A 19 -11.771 1.422 5.849 1.00 0.00 C ATOM 304 O GLN A 19 -12.150 1.778 6.965 1.00 0.00 O ATOM 305 CB GLN A 19 -12.449 2.645 3.771 1.00 0.00 C ATOM 306 CG GLN A 19 -12.757 4.104 3.477 1.00 0.00 C ATOM 307 CD GLN A 19 -13.842 4.662 4.377 1.00 0.00 C ATOM 308 OE1 GLN A 19 -13.593 4.999 5.534 1.00 0.00 O ATOM 309 NE2 GLN A 19 -15.056 4.762 3.848 1.00 0.00 N ATOM 0 H GLN A 19 -10.223 1.710 3.193 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.155 3.397 5.315 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.161 2.149 2.844 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.356 2.155 4.126 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.849 4.695 3.599 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.066 4.204 2.436 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.218 4.471 2.884 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.827 5.130 4.406 1.00 0.00 H new ATOM 318 N ARG A 20 -11.713 0.148 5.476 1.00 0.00 N ATOM 319 CA ARG A 20 -12.100 -0.930 6.379 1.00 0.00 C ATOM 320 C ARG A 20 -11.041 -1.147 7.455 1.00 0.00 C ATOM 321 O ARG A 20 -11.361 -1.468 8.599 1.00 0.00 O ATOM 322 CB ARG A 20 -12.321 -2.225 5.596 1.00 0.00 C ATOM 323 CG ARG A 20 -13.708 -2.338 4.986 1.00 0.00 C ATOM 324 CD ARG A 20 -13.684 -3.128 3.687 1.00 0.00 C ATOM 325 NE ARG A 20 -14.918 -3.881 3.481 1.00 0.00 N ATOM 326 CZ ARG A 20 -16.054 -3.339 3.046 1.00 0.00 C ATOM 327 NH1 ARG A 20 -16.115 -2.043 2.769 1.00 0.00 N ATOM 328 NH2 ARG A 20 -17.131 -4.096 2.887 1.00 0.00 N ATOM 0 H ARG A 20 -11.402 -0.163 4.556 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.032 -0.644 6.866 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.577 -2.291 4.802 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.155 -3.074 6.259 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.380 -2.822 5.695 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.107 -1.341 4.799 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.532 -2.446 2.851 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.838 -3.815 3.696 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.909 -4.881 3.682 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.289 -1.456 2.889 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.988 -1.633 2.436 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.089 -5.093 3.098 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.001 -3.681 2.554 1.00 0.00 H new ATOM 342 N CYS A 21 -9.778 -0.968 7.080 1.00 0.00 N ATOM 343 CA CYS A 21 -8.672 -1.144 8.014 1.00 0.00 C ATOM 344 C CYS A 21 -8.294 0.178 8.681 1.00 0.00 C ATOM 345 O CYS A 21 -7.236 0.289 9.300 1.00 0.00 O ATOM 346 CB CYS A 21 -7.457 -1.727 7.291 1.00 0.00 C ATOM 347 SG CYS A 21 -6.437 -2.811 8.318 1.00 0.00 S ATOM 0 H CYS A 21 -9.496 -0.701 6.137 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.997 -1.837 8.790 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.800 -2.286 6.420 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.840 -0.908 6.922 1.00 0.00 H new ATOM 0 HG CYS A 21 -5.436 -3.256 7.618 1.00 0.00 H new ATOM 353 N ALA A 22 -9.160 1.180 8.550 1.00 0.00 N ATOM 354 CA ALA A 22 -8.907 2.488 9.141 1.00 0.00 C ATOM 355 C ALA A 22 -8.786 2.394 10.661 1.00 0.00 C ATOM 356 O ALA A 22 -7.774 2.795 11.236 1.00 0.00 O ATOM 357 CB ALA A 22 -10.010 3.464 8.754 1.00 0.00 C ATOM 0 H ALA A 22 -10.041 1.110 8.041 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.958 2.857 8.752 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.809 4.437 9.202 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.043 3.564 7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.969 3.091 9.113 1.00 0.00 H new ATOM 363 N PRO A 23 -9.823 1.865 11.335 1.00 0.00 N ATOM 364 CA PRO A 23 -9.831 1.724 12.792 1.00 0.00 C ATOM 365 C PRO A 23 -9.111 0.464 13.267 1.00 0.00 C ATOM 366 O PRO A 23 -9.632 -0.282 14.096 1.00 0.00 O ATOM 367 CB PRO A 23 -11.321 1.635 13.106 1.00 0.00 C ATOM 368 CG PRO A 23 -11.910 0.954 11.918 1.00 0.00 C ATOM 369 CD PRO A 23 -11.075 1.367 10.731 1.00 0.00 C ATOM 0 HA PRO A 23 -9.311 2.543 13.290 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.501 1.068 14.019 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.756 2.624 13.254 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.896 -0.129 12.045 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.951 1.245 11.780 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.889 0.527 10.061 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.570 2.140 10.143 1.00 0.00 H new ATOM 377 N VAL A 24 -7.913 0.231 12.740 1.00 0.00 N ATOM 378 CA VAL A 24 -7.128 -0.941 13.116 1.00 0.00 C ATOM 379 C VAL A 24 -5.758 -0.546 13.667 1.00 0.00 C ATOM 380 O VAL A 24 -4.889 -1.397 13.856 1.00 0.00 O ATOM 381 CB VAL A 24 -6.931 -1.890 11.919 1.00 0.00 C ATOM 382 CG1 VAL A 24 -6.309 -3.202 12.373 1.00 0.00 C ATOM 383 CG2 VAL A 24 -8.254 -2.138 11.210 1.00 0.00 C ATOM 0 H VAL A 24 -7.465 0.837 12.053 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.690 -1.455 13.895 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.249 -1.416 11.213 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.178 -3.859 11.513 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.340 -3.006 12.831 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.963 -3.682 13.100 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.095 -2.811 10.367 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.961 -2.590 11.906 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.656 -1.192 10.848 1.00 0.00 H new ATOM 393 N SER A 25 -5.569 0.747 13.923 1.00 0.00 N ATOM 394 CA SER A 25 -4.302 1.243 14.449 1.00 0.00 C ATOM 395 C SER A 25 -3.992 0.623 15.809 1.00 0.00 C ATOM 396 O SER A 25 -2.869 0.187 16.061 1.00 0.00 O ATOM 397 CB SER A 25 -4.339 2.767 14.567 1.00 0.00 C ATOM 398 OG SER A 25 -3.030 3.308 14.609 1.00 0.00 O ATOM 0 H SER A 25 -6.276 1.467 13.775 1.00 0.00 H new ATOM 0 HA SER A 25 -3.513 0.956 13.754 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.882 3.187 13.721 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.883 3.052 15.468 1.00 0.00 H new ATOM 0 HG SER A 25 -3.082 4.284 14.683 1.00 0.00 H new ATOM 404 N GLN A 26 -4.994 0.588 16.682 1.00 0.00 N ATOM 405 CA GLN A 26 -4.825 0.022 18.017 1.00 0.00 C ATOM 406 C GLN A 26 -4.385 -1.437 17.939 1.00 0.00 C ATOM 407 O GLN A 26 -3.512 -1.873 18.690 1.00 0.00 O ATOM 408 CB GLN A 26 -6.129 0.134 18.810 1.00 0.00 C ATOM 409 CG GLN A 26 -6.142 1.287 19.801 1.00 0.00 C ATOM 410 CD GLN A 26 -6.665 0.880 21.164 1.00 0.00 C ATOM 411 OE1 GLN A 26 -5.912 0.406 22.015 1.00 0.00 O ATOM 412 NE2 GLN A 26 -7.963 1.062 21.379 1.00 0.00 N ATOM 0 H GLN A 26 -5.930 0.944 16.490 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.047 0.589 18.529 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.959 0.255 18.114 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.298 -0.799 19.348 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.131 1.681 19.907 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.759 2.094 19.406 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.551 1.458 20.646 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.372 0.806 22.278 1.00 0.00 H new ATOM 421 N PHE A 27 -4.995 -2.187 17.027 1.00 0.00 N ATOM 422 CA PHE A 27 -4.666 -3.596 16.851 1.00 0.00 C ATOM 423 C PHE A 27 -3.745 -3.796 15.651 1.00 0.00 C ATOM 424 O PHE A 27 -3.727 -4.864 15.040 1.00 0.00 O ATOM 425 CB PHE A 27 -5.943 -4.419 16.670 1.00 0.00 C ATOM 426 CG PHE A 27 -6.570 -4.849 17.966 1.00 0.00 C ATOM 427 CD1 PHE A 27 -7.444 -4.011 18.640 1.00 0.00 C ATOM 428 CD2 PHE A 27 -6.284 -6.090 18.511 1.00 0.00 C ATOM 429 CE1 PHE A 27 -8.023 -4.404 19.832 1.00 0.00 C ATOM 430 CE2 PHE A 27 -6.860 -6.489 19.702 1.00 0.00 C ATOM 431 CZ PHE A 27 -7.730 -5.644 20.364 1.00 0.00 C ATOM 0 H PHE A 27 -5.720 -1.842 16.398 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.145 -3.936 17.746 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.666 -3.832 16.103 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.714 -5.304 16.076 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.675 -3.039 18.229 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.603 -6.754 17.999 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.704 -3.742 20.347 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.630 -7.460 20.115 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.180 -5.953 21.296 1.00 0.00 H new ATOM 441 N ALA A 28 -2.981 -2.759 15.318 1.00 0.00 N ATOM 442 CA ALA A 28 -2.059 -2.821 14.191 1.00 0.00 C ATOM 443 C ALA A 28 -0.687 -3.322 14.629 1.00 0.00 C ATOM 444 O ALA A 28 -0.068 -2.758 15.531 1.00 0.00 O ATOM 445 CB ALA A 28 -1.939 -1.453 13.536 1.00 0.00 C ATOM 0 H ALA A 28 -2.983 -1.867 15.813 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.458 -3.528 13.464 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.248 -1.511 12.695 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.918 -1.133 13.179 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.565 -0.733 14.264 1.00 0.00 H new ATOM 451 N THR A 29 -0.217 -4.385 13.983 1.00 0.00 N ATOM 452 CA THR A 29 1.083 -4.962 14.305 1.00 0.00 C ATOM 453 C THR A 29 1.722 -5.589 13.070 1.00 0.00 C ATOM 454 O THR A 29 1.059 -6.286 12.302 1.00 0.00 O ATOM 455 CB THR A 29 0.939 -6.011 15.408 1.00 0.00 C ATOM 456 OG1 THR A 29 2.188 -6.617 15.690 1.00 0.00 O ATOM 457 CG2 THR A 29 -0.039 -7.114 15.062 1.00 0.00 C ATOM 0 H THR A 29 -0.717 -4.864 13.234 1.00 0.00 H new ATOM 0 HA THR A 29 1.731 -4.160 14.658 1.00 0.00 H new ATOM 0 HB THR A 29 0.559 -5.469 16.274 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.075 -7.284 16.399 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.093 -7.824 15.887 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.025 -6.684 14.888 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.297 -7.629 14.162 1.00 0.00 H new ATOM 465 N LEU A 30 3.014 -5.337 12.886 1.00 0.00 N ATOM 466 CA LEU A 30 3.744 -5.878 11.744 1.00 0.00 C ATOM 467 C LEU A 30 4.719 -6.963 12.189 1.00 0.00 C ATOM 468 O LEU A 30 5.240 -6.925 13.303 1.00 0.00 O ATOM 469 CB LEU A 30 4.499 -4.762 11.019 1.00 0.00 C ATOM 470 CG LEU A 30 3.695 -4.029 9.944 1.00 0.00 C ATOM 471 CD1 LEU A 30 4.413 -2.760 9.512 1.00 0.00 C ATOM 472 CD2 LEU A 30 3.451 -4.939 8.749 1.00 0.00 C ATOM 0 H LEU A 30 3.577 -4.762 13.512 1.00 0.00 H new ATOM 0 HA LEU A 30 3.022 -6.322 11.059 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.838 -4.035 11.757 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.390 -5.187 10.558 1.00 0.00 H new ATOM 0 HG LEU A 30 2.730 -3.749 10.366 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.826 -2.252 8.747 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.536 -2.101 10.372 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.392 -3.016 9.108 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.878 -4.402 7.994 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.407 -5.249 8.327 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.894 -5.819 9.070 1.00 0.00 H new ATOM 484 N SER A 31 4.960 -7.931 11.310 1.00 0.00 N ATOM 485 CA SER A 31 5.873 -9.028 11.613 1.00 0.00 C ATOM 486 C SER A 31 7.313 -8.532 11.692 1.00 0.00 C ATOM 487 O SER A 31 7.629 -7.436 11.230 1.00 0.00 O ATOM 488 CB SER A 31 5.755 -10.125 10.554 1.00 0.00 C ATOM 489 OG SER A 31 5.557 -9.571 9.264 1.00 0.00 O ATOM 0 H SER A 31 4.536 -7.978 10.383 1.00 0.00 H new ATOM 0 HA SER A 31 5.597 -9.440 12.584 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.658 -10.735 10.556 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.924 -10.785 10.801 1.00 0.00 H new ATOM 0 HG SER A 31 4.755 -9.963 8.859 1.00 0.00 H new ATOM 495 N ALA A 32 8.183 -9.347 12.281 1.00 0.00 N ATOM 496 CA ALA A 32 9.591 -8.991 12.422 1.00 0.00 C ATOM 497 C ALA A 32 10.378 -9.295 11.147 1.00 0.00 C ATOM 498 O ALA A 32 11.559 -8.963 11.046 1.00 0.00 O ATOM 499 CB ALA A 32 10.202 -9.724 13.606 1.00 0.00 C ATOM 0 H ALA A 32 7.938 -10.258 12.668 1.00 0.00 H new ATOM 0 HA ALA A 32 9.647 -7.917 12.599 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.253 -9.450 13.701 1.00 0.00 H new ATOM 0 HB2 ALA A 32 9.672 -9.449 14.518 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.120 -10.800 13.450 1.00 0.00 H new ATOM 505 N ARG A 33 9.722 -9.927 10.176 1.00 0.00 N ATOM 506 CA ARG A 33 10.371 -10.270 8.916 1.00 0.00 C ATOM 507 C ARG A 33 10.103 -9.209 7.851 1.00 0.00 C ATOM 508 O ARG A 33 10.214 -9.478 6.654 1.00 0.00 O ATOM 509 CB ARG A 33 9.885 -11.636 8.425 1.00 0.00 C ATOM 510 CG ARG A 33 10.754 -12.794 8.892 1.00 0.00 C ATOM 511 CD ARG A 33 11.566 -13.386 7.750 1.00 0.00 C ATOM 512 NE ARG A 33 12.983 -13.043 7.849 1.00 0.00 N ATOM 513 CZ ARG A 33 13.496 -11.881 7.449 1.00 0.00 C ATOM 514 NH1 ARG A 33 12.713 -10.944 6.928 1.00 0.00 N ATOM 515 NH2 ARG A 33 14.797 -11.654 7.573 1.00 0.00 N ATOM 0 H ARG A 33 8.744 -10.211 10.239 1.00 0.00 H new ATOM 0 HA ARG A 33 11.446 -10.313 9.093 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.864 -11.796 8.772 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.854 -11.632 7.335 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.428 -12.450 9.677 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.124 -13.568 9.330 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.455 -14.470 7.750 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.171 -13.026 6.800 1.00 0.00 H new ATOM 0 HE ARG A 33 13.617 -13.735 8.248 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.711 -11.112 6.832 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.113 -10.056 6.624 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.403 -12.369 7.974 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.191 -10.764 7.267 1.00 0.00 H new ATOM 529 N PHE A 34 9.752 -8.004 8.290 1.00 0.00 N ATOM 530 CA PHE A 34 9.471 -6.909 7.375 1.00 0.00 C ATOM 531 C PHE A 34 10.709 -6.547 6.559 1.00 0.00 C ATOM 532 O PHE A 34 11.838 -6.775 6.992 1.00 0.00 O ATOM 533 CB PHE A 34 8.984 -5.691 8.160 1.00 0.00 C ATOM 534 CG PHE A 34 10.034 -5.085 9.048 1.00 0.00 C ATOM 535 CD1 PHE A 34 11.041 -4.297 8.514 1.00 0.00 C ATOM 536 CD2 PHE A 34 10.013 -5.303 10.416 1.00 0.00 C ATOM 537 CE1 PHE A 34 12.008 -3.738 9.328 1.00 0.00 C ATOM 538 CE2 PHE A 34 10.977 -4.747 11.235 1.00 0.00 C ATOM 539 CZ PHE A 34 11.976 -3.964 10.691 1.00 0.00 C ATOM 0 H PHE A 34 9.656 -7.763 9.277 1.00 0.00 H new ATOM 0 HA PHE A 34 8.691 -7.229 6.684 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.633 -4.934 7.458 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.128 -5.981 8.770 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.071 -4.118 7.449 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.234 -5.915 10.847 1.00 0.00 H new ATOM 0 HE1 PHE A 34 12.788 -3.125 8.900 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.949 -4.925 12.300 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.731 -3.529 11.329 1.00 0.00 H new ATOM 549 N ASP A 35 10.487 -5.982 5.377 1.00 0.00 N ATOM 550 CA ASP A 35 11.584 -5.587 4.500 1.00 0.00 C ATOM 551 C ASP A 35 11.521 -4.095 4.192 1.00 0.00 C ATOM 552 O ASP A 35 10.486 -3.582 3.768 1.00 0.00 O ATOM 553 CB ASP A 35 11.541 -6.391 3.200 1.00 0.00 C ATOM 554 CG ASP A 35 12.377 -7.654 3.272 1.00 0.00 C ATOM 555 OD1 ASP A 35 13.621 -7.541 3.298 1.00 0.00 O ATOM 556 OD2 ASP A 35 11.789 -8.755 3.303 1.00 0.00 O ATOM 0 H ASP A 35 9.558 -5.787 5.004 1.00 0.00 H new ATOM 0 HA ASP A 35 12.522 -5.795 5.015 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.508 -6.655 2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.898 -5.769 2.379 1.00 0.00 H new ATOM 561 N ARG A 36 12.635 -3.402 4.408 1.00 0.00 N ATOM 562 CA ARG A 36 12.705 -1.967 4.154 1.00 0.00 C ATOM 563 C ARG A 36 12.613 -1.668 2.659 1.00 0.00 C ATOM 564 O ARG A 36 12.246 -0.562 2.261 1.00 0.00 O ATOM 565 CB ARG A 36 14.003 -1.390 4.722 1.00 0.00 C ATOM 566 CG ARG A 36 15.254 -2.090 4.216 1.00 0.00 C ATOM 567 CD ARG A 36 16.517 -1.384 4.683 1.00 0.00 C ATOM 568 NE ARG A 36 17.494 -2.320 5.234 1.00 0.00 N ATOM 569 CZ ARG A 36 18.504 -1.959 6.023 1.00 0.00 C ATOM 570 NH1 ARG A 36 18.673 -0.685 6.354 1.00 0.00 N ATOM 571 NH2 ARG A 36 19.347 -2.874 6.482 1.00 0.00 N ATOM 0 H ARG A 36 13.501 -3.811 4.758 1.00 0.00 H new ATOM 0 HA ARG A 36 11.857 -1.496 4.651 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.062 -0.332 4.468 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.975 -1.456 5.810 1.00 0.00 H new ATOM 0 HG2 ARG A 36 15.262 -3.122 4.567 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.237 -2.124 3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.962 -0.846 3.846 1.00 0.00 H new ATOM 0 HD3 ARG A 36 16.259 -0.642 5.439 1.00 0.00 H new ATOM 0 HE ARG A 36 17.397 -3.308 5.001 1.00 0.00 H new ATOM 0 HH11 ARG A 36 18.028 0.023 6.004 1.00 0.00 H new ATOM 0 HH12 ARG A 36 19.448 -0.414 6.959 1.00 0.00 H new ATOM 0 HH21 ARG A 36 19.222 -3.855 6.231 1.00 0.00 H new ATOM 0 HH22 ARG A 36 20.121 -2.597 7.086 1.00 0.00 H new ATOM 585 N HIS A 37 12.950 -2.656 1.836 1.00 0.00 N ATOM 586 CA HIS A 37 12.904 -2.491 0.387 1.00 0.00 C ATOM 587 C HIS A 37 11.464 -2.436 -0.113 1.00 0.00 C ATOM 588 O HIS A 37 11.170 -1.786 -1.117 1.00 0.00 O ATOM 589 CB HIS A 37 13.651 -3.635 -0.301 1.00 0.00 C ATOM 590 CG HIS A 37 15.140 -3.528 -0.194 1.00 0.00 C ATOM 591 ND1 HIS A 37 15.801 -2.325 -0.057 1.00 0.00 N ATOM 592 CD2 HIS A 37 16.101 -4.482 -0.203 1.00 0.00 C ATOM 593 CE1 HIS A 37 17.102 -2.544 0.011 1.00 0.00 C ATOM 594 NE2 HIS A 37 17.310 -3.844 -0.074 1.00 0.00 N ATOM 0 H HIS A 37 13.257 -3.578 2.147 1.00 0.00 H new ATOM 0 HA HIS A 37 13.390 -1.547 0.140 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.331 -4.581 0.135 1.00 0.00 H new ATOM 0 HB3 HIS A 37 13.372 -3.659 -1.354 1.00 0.00 H new ATOM 0 HD2 HIS A 37 15.945 -5.547 -0.295 1.00 0.00 H new ATOM 0 HE1 HIS A 37 17.865 -1.788 0.118 1.00 0.00 H new ATOM 0 HE2 HIS A 37 18.221 -4.301 -0.048 1.00 0.00 H new ATOM 603 N LEU A 38 10.569 -3.122 0.591 1.00 0.00 N ATOM 604 CA LEU A 38 9.160 -3.151 0.214 1.00 0.00 C ATOM 605 C LEU A 38 8.333 -2.235 1.111 1.00 0.00 C ATOM 606 O LEU A 38 7.300 -1.711 0.695 1.00 0.00 O ATOM 607 CB LEU A 38 8.620 -4.580 0.290 1.00 0.00 C ATOM 608 CG LEU A 38 9.484 -5.636 -0.402 1.00 0.00 C ATOM 609 CD1 LEU A 38 9.135 -7.027 0.106 1.00 0.00 C ATOM 610 CD2 LEU A 38 9.311 -5.559 -1.911 1.00 0.00 C ATOM 0 H LEU A 38 10.794 -3.665 1.425 1.00 0.00 H new ATOM 0 HA LEU A 38 9.079 -2.792 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.508 -4.855 1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.624 -4.600 -0.153 1.00 0.00 H new ATOM 0 HG LEU A 38 10.529 -5.436 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.759 -7.765 -0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.309 -7.076 1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.086 -7.237 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.933 -6.317 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.266 -5.733 -2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.610 -4.571 -2.262 1.00 0.00 H new ATOM 622 N PHE A 39 8.794 -2.046 2.343 1.00 0.00 N ATOM 623 CA PHE A 39 8.095 -1.194 3.298 1.00 0.00 C ATOM 624 C PHE A 39 8.935 0.029 3.651 1.00 0.00 C ATOM 625 O PHE A 39 10.144 0.051 3.425 1.00 0.00 O ATOM 626 CB PHE A 39 7.763 -1.981 4.567 1.00 0.00 C ATOM 627 CG PHE A 39 6.490 -2.772 4.467 1.00 0.00 C ATOM 628 CD1 PHE A 39 5.305 -2.158 4.095 1.00 0.00 C ATOM 629 CD2 PHE A 39 6.478 -4.129 4.746 1.00 0.00 C ATOM 630 CE1 PHE A 39 4.132 -2.883 4.003 1.00 0.00 C ATOM 631 CE2 PHE A 39 5.309 -4.859 4.656 1.00 0.00 C ATOM 632 CZ PHE A 39 4.134 -4.235 4.283 1.00 0.00 C ATOM 0 H PHE A 39 9.648 -2.471 2.703 1.00 0.00 H new ATOM 0 HA PHE A 39 7.168 -0.856 2.835 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.586 -2.660 4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.686 -1.288 5.405 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.298 -1.101 3.874 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.394 -4.622 5.037 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.215 -2.393 3.712 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.313 -5.916 4.877 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.219 -4.804 4.211 1.00 0.00 H new ATOM 642 N GLN A 40 8.284 1.045 4.208 1.00 0.00 N ATOM 643 CA GLN A 40 8.970 2.272 4.594 1.00 0.00 C ATOM 644 C GLN A 40 9.555 2.150 5.997 1.00 0.00 C ATOM 645 O GLN A 40 9.278 1.188 6.714 1.00 0.00 O ATOM 646 CB GLN A 40 8.008 3.460 4.531 1.00 0.00 C ATOM 647 CG GLN A 40 8.656 4.743 4.036 1.00 0.00 C ATOM 648 CD GLN A 40 7.663 5.682 3.382 1.00 0.00 C ATOM 649 OE1 GLN A 40 6.943 5.299 2.460 1.00 0.00 O ATOM 650 NE2 GLN A 40 7.619 6.922 3.856 1.00 0.00 N ATOM 0 H GLN A 40 7.283 1.043 4.402 1.00 0.00 H new ATOM 0 HA GLN A 40 9.788 2.438 3.893 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.175 3.207 3.875 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.592 3.633 5.523 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.134 5.251 4.874 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.442 4.497 3.322 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.234 7.197 4.622 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.970 7.599 3.454 1.00 0.00 H new ATOM 659 N THR A 41 10.365 3.130 6.383 1.00 0.00 N ATOM 660 CA THR A 41 10.988 3.130 7.702 1.00 0.00 C ATOM 661 C THR A 41 9.945 3.337 8.796 1.00 0.00 C ATOM 662 O THR A 41 10.094 2.839 9.911 1.00 0.00 O ATOM 663 CB THR A 41 12.054 4.223 7.785 1.00 0.00 C ATOM 664 OG1 THR A 41 12.882 4.205 6.636 1.00 0.00 O ATOM 665 CG2 THR A 41 12.949 4.095 8.999 1.00 0.00 C ATOM 0 H THR A 41 10.605 3.933 5.802 1.00 0.00 H new ATOM 0 HA THR A 41 11.460 2.159 7.854 1.00 0.00 H new ATOM 0 HB THR A 41 11.502 5.160 7.858 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.556 4.913 6.708 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.683 4.901 8.997 1.00 0.00 H new ATOM 0 HG22 THR A 41 12.345 4.156 9.904 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.465 3.135 8.971 1.00 0.00 H new ATOM 673 N ARG A 42 8.890 4.076 8.468 1.00 0.00 N ATOM 674 CA ARG A 42 7.822 4.349 9.423 1.00 0.00 C ATOM 675 C ARG A 42 6.874 3.158 9.546 1.00 0.00 C ATOM 676 O ARG A 42 6.159 3.025 10.539 1.00 0.00 O ATOM 677 CB ARG A 42 7.041 5.595 9.002 1.00 0.00 C ATOM 678 CG ARG A 42 6.308 6.271 10.150 1.00 0.00 C ATOM 679 CD ARG A 42 6.897 7.637 10.465 1.00 0.00 C ATOM 680 NE ARG A 42 8.260 7.539 10.983 1.00 0.00 N ATOM 681 CZ ARG A 42 9.113 8.560 11.020 1.00 0.00 C ATOM 682 NH1 ARG A 42 8.750 9.755 10.571 1.00 0.00 N ATOM 683 NH2 ARG A 42 10.334 8.386 11.509 1.00 0.00 N ATOM 0 H ARG A 42 8.752 4.496 7.549 1.00 0.00 H new ATOM 0 HA ARG A 42 8.279 4.524 10.397 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.729 6.310 8.551 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.319 5.319 8.234 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.254 6.379 9.896 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.359 5.639 11.037 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.895 8.249 9.563 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.267 8.144 11.196 1.00 0.00 H new ATOM 0 HE ARG A 42 8.576 6.636 11.337 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.812 9.895 10.195 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.409 10.533 10.602 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.619 7.470 11.856 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.988 9.168 11.538 1.00 0.00 H new ATOM 697 N ALA A 43 6.871 2.295 8.534 1.00 0.00 N ATOM 698 CA ALA A 43 6.009 1.119 8.538 1.00 0.00 C ATOM 699 C ALA A 43 6.321 0.215 9.726 1.00 0.00 C ATOM 700 O ALA A 43 7.152 -0.688 9.631 1.00 0.00 O ATOM 701 CB ALA A 43 6.159 0.351 7.234 1.00 0.00 C ATOM 0 H ALA A 43 7.455 2.388 7.703 1.00 0.00 H new ATOM 0 HA ALA A 43 4.976 1.455 8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.510 -0.524 7.251 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.880 0.994 6.399 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.195 0.032 7.116 1.00 0.00 H new ATOM 707 N THR A 44 5.649 0.466 10.845 1.00 0.00 N ATOM 708 CA THR A 44 5.854 -0.324 12.053 1.00 0.00 C ATOM 709 C THR A 44 4.622 -1.166 12.374 1.00 0.00 C ATOM 710 O THR A 44 4.723 -2.205 13.026 1.00 0.00 O ATOM 711 CB THR A 44 6.182 0.590 13.235 1.00 0.00 C ATOM 712 OG1 THR A 44 6.187 -0.141 14.448 1.00 0.00 O ATOM 713 CG2 THR A 44 5.206 1.735 13.394 1.00 0.00 C ATOM 0 H THR A 44 4.958 1.210 10.940 1.00 0.00 H new ATOM 0 HA THR A 44 6.693 -0.997 11.876 1.00 0.00 H new ATOM 0 HB THR A 44 7.168 1.001 13.017 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.400 0.461 15.192 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.496 2.344 14.250 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.214 2.348 12.493 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.203 1.339 13.554 1.00 0.00 H new ATOM 721 N THR A 45 3.460 -0.712 11.915 1.00 0.00 N ATOM 722 CA THR A 45 2.212 -1.427 12.157 1.00 0.00 C ATOM 723 C THR A 45 1.336 -1.432 10.908 1.00 0.00 C ATOM 724 O THR A 45 1.653 -0.780 9.913 1.00 0.00 O ATOM 725 CB THR A 45 1.454 -0.793 13.324 1.00 0.00 C ATOM 726 OG1 THR A 45 0.805 0.398 12.914 1.00 0.00 O ATOM 727 CG2 THR A 45 2.342 -0.450 14.501 1.00 0.00 C ATOM 0 H THR A 45 3.357 0.147 11.374 1.00 0.00 H new ATOM 0 HA THR A 45 2.457 -2.458 12.410 1.00 0.00 H new ATOM 0 HB THR A 45 0.733 -1.546 13.642 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.325 0.787 13.674 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.740 -0.004 15.293 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.818 -1.357 14.874 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.108 0.258 14.185 1.00 0.00 H new ATOM 735 N LEU A 46 0.233 -2.173 10.967 1.00 0.00 N ATOM 736 CA LEU A 46 -0.690 -2.264 9.840 1.00 0.00 C ATOM 737 C LEU A 46 -1.159 -0.879 9.404 1.00 0.00 C ATOM 738 O LEU A 46 -1.023 -0.505 8.239 1.00 0.00 O ATOM 739 CB LEU A 46 -1.897 -3.128 10.211 1.00 0.00 C ATOM 740 CG LEU A 46 -1.580 -4.598 10.492 1.00 0.00 C ATOM 741 CD1 LEU A 46 -2.652 -5.215 11.376 1.00 0.00 C ATOM 742 CD2 LEU A 46 -1.450 -5.372 9.188 1.00 0.00 C ATOM 0 H LEU A 46 -0.043 -2.719 11.783 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.160 -2.727 9.007 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.373 -2.700 11.093 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.624 -3.078 9.400 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.628 -4.652 11.020 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.410 -6.261 11.565 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.698 -4.676 12.322 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.618 -5.151 10.875 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.224 -6.416 9.405 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.387 -5.311 8.634 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.646 -4.944 8.590 1.00 0.00 H new ATOM 754 N GLN A 47 -1.711 -0.122 10.347 1.00 0.00 N ATOM 755 CA GLN A 47 -2.197 1.222 10.060 1.00 0.00 C ATOM 756 C GLN A 47 -1.065 2.110 9.557 1.00 0.00 C ATOM 757 O GLN A 47 -1.267 2.961 8.691 1.00 0.00 O ATOM 758 CB GLN A 47 -2.831 1.837 11.309 1.00 0.00 C ATOM 759 CG GLN A 47 -3.514 3.171 11.051 1.00 0.00 C ATOM 760 CD GLN A 47 -4.711 3.044 10.129 1.00 0.00 C ATOM 761 OE1 GLN A 47 -5.316 1.977 10.021 1.00 0.00 O ATOM 762 NE2 GLN A 47 -5.058 4.135 9.456 1.00 0.00 N ATOM 0 H GLN A 47 -1.833 -0.417 11.316 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.954 1.150 9.279 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.561 1.138 11.718 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.060 1.974 12.068 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.835 3.600 12.000 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.795 3.865 10.614 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.528 4.998 9.576 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.854 4.110 8.819 1.00 0.00 H new ATOM 771 N ALA A 48 0.129 1.904 10.105 1.00 0.00 N ATOM 772 CA ALA A 48 1.295 2.683 9.710 1.00 0.00 C ATOM 773 C ALA A 48 1.603 2.489 8.229 1.00 0.00 C ATOM 774 O ALA A 48 1.900 3.447 7.515 1.00 0.00 O ATOM 775 CB ALA A 48 2.499 2.300 10.557 1.00 0.00 C ATOM 0 H ALA A 48 0.313 1.204 10.824 1.00 0.00 H new ATOM 0 HA ALA A 48 1.072 3.737 9.875 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.362 2.890 10.250 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.282 2.494 11.607 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.717 1.241 10.421 1.00 0.00 H new ATOM 781 N CYS A 49 1.526 1.243 7.774 1.00 0.00 N ATOM 782 CA CYS A 49 1.792 0.922 6.377 1.00 0.00 C ATOM 783 C CYS A 49 0.734 1.539 5.470 1.00 0.00 C ATOM 784 O CYS A 49 1.039 2.014 4.376 1.00 0.00 O ATOM 785 CB CYS A 49 1.831 -0.594 6.178 1.00 0.00 C ATOM 786 SG CYS A 49 3.369 -1.372 6.724 1.00 0.00 S ATOM 0 H CYS A 49 1.282 0.439 8.352 1.00 0.00 H new ATOM 0 HA CYS A 49 2.763 1.340 6.111 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.998 -1.042 6.719 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.680 -0.815 5.121 1.00 0.00 H new ATOM 0 HG CYS A 49 3.972 -1.905 5.703 1.00 0.00 H new ATOM 792 N LEU A 50 -0.512 1.531 5.934 1.00 0.00 N ATOM 793 CA LEU A 50 -1.617 2.092 5.166 1.00 0.00 C ATOM 794 C LEU A 50 -1.391 3.576 4.902 1.00 0.00 C ATOM 795 O LEU A 50 -1.555 4.049 3.777 1.00 0.00 O ATOM 796 CB LEU A 50 -2.938 1.889 5.910 1.00 0.00 C ATOM 797 CG LEU A 50 -3.390 0.433 6.040 1.00 0.00 C ATOM 798 CD1 LEU A 50 -4.661 0.341 6.869 1.00 0.00 C ATOM 799 CD2 LEU A 50 -3.603 -0.181 4.664 1.00 0.00 C ATOM 0 H LEU A 50 -0.781 1.142 6.838 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.666 1.572 4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.844 2.315 6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.717 2.451 5.396 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.607 -0.128 6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.967 -0.702 6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.476 0.744 7.865 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.452 0.915 6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.924 -1.217 4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.368 0.382 4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.669 -0.148 4.102 1.00 0.00 H new ATOM 811 N ASP A 51 -1.010 4.306 5.945 1.00 0.00 N ATOM 812 CA ASP A 51 -0.757 5.737 5.825 1.00 0.00 C ATOM 813 C ASP A 51 0.376 6.001 4.839 1.00 0.00 C ATOM 814 O ASP A 51 0.281 6.888 3.990 1.00 0.00 O ATOM 815 CB ASP A 51 -0.415 6.334 7.193 1.00 0.00 C ATOM 816 CG ASP A 51 -1.295 7.518 7.543 1.00 0.00 C ATOM 817 OD1 ASP A 51 -2.495 7.305 7.818 1.00 0.00 O ATOM 818 OD2 ASP A 51 -0.784 8.658 7.541 1.00 0.00 O ATOM 0 H ASP A 51 -0.870 3.930 6.883 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.662 6.215 5.449 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.523 5.566 7.959 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.629 6.646 7.199 1.00 0.00 H new ATOM 823 N GLU A 52 1.447 5.222 4.954 1.00 0.00 N ATOM 824 CA GLU A 52 2.597 5.369 4.071 1.00 0.00 C ATOM 825 C GLU A 52 2.199 5.107 2.622 1.00 0.00 C ATOM 826 O GLU A 52 2.628 5.816 1.712 1.00 0.00 O ATOM 827 CB GLU A 52 3.716 4.411 4.491 1.00 0.00 C ATOM 828 CG GLU A 52 4.939 5.116 5.053 1.00 0.00 C ATOM 829 CD GLU A 52 4.681 5.737 6.412 1.00 0.00 C ATOM 830 OE1 GLU A 52 4.115 5.044 7.283 1.00 0.00 O ATOM 831 OE2 GLU A 52 5.045 6.916 6.605 1.00 0.00 O ATOM 0 H GLU A 52 1.542 4.483 5.650 1.00 0.00 H new ATOM 0 HA GLU A 52 2.961 6.393 4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.329 3.719 5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.015 3.814 3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.760 4.403 5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.258 5.892 4.358 1.00 0.00 H new ATOM 838 N ALA A 53 1.374 4.086 2.416 1.00 0.00 N ATOM 839 CA ALA A 53 0.915 3.733 1.078 1.00 0.00 C ATOM 840 C ALA A 53 0.088 4.860 0.471 1.00 0.00 C ATOM 841 O ALA A 53 0.257 5.209 -0.697 1.00 0.00 O ATOM 842 CB ALA A 53 0.107 2.445 1.119 1.00 0.00 C ATOM 0 H ALA A 53 1.010 3.489 3.158 1.00 0.00 H new ATOM 0 HA ALA A 53 1.791 3.577 0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.229 2.194 0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.729 1.638 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.759 2.579 1.768 1.00 0.00 H new ATOM 848 N GLY A 54 -0.805 5.430 1.275 1.00 0.00 N ATOM 849 CA GLY A 54 -1.643 6.515 0.801 1.00 0.00 C ATOM 850 C GLY A 54 -0.831 7.709 0.339 1.00 0.00 C ATOM 851 O GLY A 54 -1.150 8.331 -0.675 1.00 0.00 O ATOM 0 H GLY A 54 -0.963 5.159 2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.263 6.160 -0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.319 6.824 1.598 1.00 0.00 H new ATOM 855 N ASP A 55 0.223 8.028 1.083 1.00 0.00 N ATOM 856 CA ASP A 55 1.086 9.152 0.744 1.00 0.00 C ATOM 857 C ASP A 55 1.875 8.862 -0.528 1.00 0.00 C ATOM 858 O ASP A 55 2.104 9.754 -1.346 1.00 0.00 O ATOM 859 CB ASP A 55 2.046 9.452 1.898 1.00 0.00 C ATOM 860 CG ASP A 55 1.513 10.522 2.830 1.00 0.00 C ATOM 861 OD1 ASP A 55 1.599 11.716 2.475 1.00 0.00 O ATOM 862 OD2 ASP A 55 1.008 10.166 3.916 1.00 0.00 O ATOM 0 H ASP A 55 0.500 7.523 1.925 1.00 0.00 H new ATOM 0 HA ASP A 55 0.456 10.025 0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.226 8.538 2.464 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.007 9.772 1.494 1.00 0.00 H new ATOM 867 N ASN A 56 2.285 7.608 -0.690 1.00 0.00 N ATOM 868 CA ASN A 56 3.045 7.197 -1.864 1.00 0.00 C ATOM 869 C ASN A 56 2.204 7.340 -3.129 1.00 0.00 C ATOM 870 O ASN A 56 2.723 7.652 -4.200 1.00 0.00 O ATOM 871 CB ASN A 56 3.517 5.750 -1.712 1.00 0.00 C ATOM 872 CG ASN A 56 4.838 5.647 -0.974 1.00 0.00 C ATOM 873 OD1 ASN A 56 5.796 6.351 -1.291 1.00 0.00 O ATOM 874 ND2 ASN A 56 4.895 4.764 0.016 1.00 0.00 N ATOM 0 H ASN A 56 2.103 6.859 -0.022 1.00 0.00 H new ATOM 0 HA ASN A 56 3.916 7.847 -1.950 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.759 5.178 -1.177 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.619 5.298 -2.699 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.758 4.649 0.548 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.076 4.201 0.245 1.00 0.00 H new ATOM 881 N LEU A 57 0.902 7.110 -2.994 1.00 0.00 N ATOM 882 CA LEU A 57 -0.014 7.215 -4.121 1.00 0.00 C ATOM 883 C LEU A 57 -0.276 8.680 -4.463 1.00 0.00 C ATOM 884 O LEU A 57 -0.272 9.066 -5.632 1.00 0.00 O ATOM 885 CB LEU A 57 -1.326 6.489 -3.796 1.00 0.00 C ATOM 886 CG LEU A 57 -2.582 7.058 -4.460 1.00 0.00 C ATOM 887 CD1 LEU A 57 -2.418 7.097 -5.971 1.00 0.00 C ATOM 888 CD2 LEU A 57 -3.806 6.240 -4.074 1.00 0.00 C ATOM 0 H LEU A 57 0.458 6.849 -2.113 1.00 0.00 H new ATOM 0 HA LEU A 57 0.440 6.742 -4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.224 5.444 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.470 6.504 -2.716 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.726 8.079 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.321 7.505 -6.425 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.567 7.727 -6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.248 6.087 -6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.690 6.659 -4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.671 5.208 -4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.935 6.267 -2.992 1.00 0.00 H new ATOM 900 N ALA A 58 -0.499 9.491 -3.434 1.00 0.00 N ATOM 901 CA ALA A 58 -0.758 10.912 -3.624 1.00 0.00 C ATOM 902 C ALA A 58 0.487 11.628 -4.135 1.00 0.00 C ATOM 903 O ALA A 58 0.394 12.600 -4.884 1.00 0.00 O ATOM 904 CB ALA A 58 -1.235 11.541 -2.323 1.00 0.00 C ATOM 0 H ALA A 58 -0.505 9.188 -2.460 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.543 11.018 -4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.425 12.603 -2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.154 11.053 -1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.469 11.419 -1.557 1.00 0.00 H new ATOM 910 N ALA A 59 1.653 11.138 -3.725 1.00 0.00 N ATOM 911 CA ALA A 59 2.919 11.727 -4.143 1.00 0.00 C ATOM 912 C ALA A 59 3.279 11.295 -5.560 1.00 0.00 C ATOM 913 O ALA A 59 3.911 12.043 -6.306 1.00 0.00 O ATOM 914 CB ALA A 59 4.026 11.341 -3.174 1.00 0.00 C ATOM 0 H ALA A 59 1.747 10.334 -3.104 1.00 0.00 H new ATOM 0 HA ALA A 59 2.809 12.811 -4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.966 11.788 -3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.778 11.702 -2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.129 10.256 -3.152 1.00 0.00 H new ATOM 920 N LEU A 60 2.870 10.084 -5.924 1.00 0.00 N ATOM 921 CA LEU A 60 3.146 9.552 -7.253 1.00 0.00 C ATOM 922 C LEU A 60 2.322 10.280 -8.309 1.00 0.00 C ATOM 923 O LEU A 60 2.801 10.545 -9.412 1.00 0.00 O ATOM 924 CB LEU A 60 2.844 8.052 -7.296 1.00 0.00 C ATOM 925 CG LEU A 60 3.022 7.394 -8.666 1.00 0.00 C ATOM 926 CD1 LEU A 60 3.559 5.979 -8.514 1.00 0.00 C ATOM 927 CD2 LEU A 60 1.705 7.387 -9.427 1.00 0.00 C ATOM 0 H LEU A 60 2.346 9.453 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 60 4.203 9.709 -7.470 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.492 7.546 -6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.818 7.894 -6.965 1.00 0.00 H new ATOM 0 HG LEU A 60 3.747 7.975 -9.236 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.679 5.528 -9.499 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.524 6.008 -8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.859 5.386 -7.926 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.849 6.916 -10.399 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.960 6.829 -8.860 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.361 8.412 -9.568 1.00 0.00 H new ATOM 939 N ARG A 61 1.079 10.602 -7.963 1.00 0.00 N ATOM 940 CA ARG A 61 0.187 11.301 -8.880 1.00 0.00 C ATOM 941 C ARG A 61 0.558 12.777 -8.978 1.00 0.00 C ATOM 942 O ARG A 61 0.542 13.360 -10.062 1.00 0.00 O ATOM 943 CB ARG A 61 -1.265 11.157 -8.419 1.00 0.00 C ATOM 944 CG ARG A 61 -2.267 11.131 -9.561 1.00 0.00 C ATOM 945 CD ARG A 61 -3.630 10.644 -9.096 1.00 0.00 C ATOM 946 NE ARG A 61 -4.616 10.666 -10.173 1.00 0.00 N ATOM 947 CZ ARG A 61 -4.640 9.791 -11.175 1.00 0.00 C ATOM 948 NH1 ARG A 61 -3.733 8.824 -11.242 1.00 0.00 N ATOM 949 NH2 ARG A 61 -5.573 9.882 -12.113 1.00 0.00 N ATOM 0 H ARG A 61 0.667 10.390 -7.054 1.00 0.00 H new ATOM 0 HA ARG A 61 0.294 10.852 -9.867 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.364 10.239 -7.839 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.509 11.983 -7.752 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.362 12.130 -9.986 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.899 10.481 -10.355 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.539 9.629 -8.708 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.977 11.270 -8.274 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.329 11.396 -10.156 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.013 8.749 -10.523 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.756 8.156 -12.012 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.272 10.623 -12.066 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.591 9.211 -12.881 1.00 0.00 H new ATOM 963 N HIS A 62 0.894 13.374 -7.840 1.00 0.00 N ATOM 964 CA HIS A 62 1.271 14.782 -7.797 1.00 0.00 C ATOM 965 C HIS A 62 2.695 14.983 -8.308 1.00 0.00 C ATOM 966 O HIS A 62 3.040 16.053 -8.810 1.00 0.00 O ATOM 967 CB HIS A 62 1.150 15.320 -6.370 1.00 0.00 C ATOM 968 CG HIS A 62 1.188 16.815 -6.288 1.00 0.00 C ATOM 969 ND1 HIS A 62 0.142 17.568 -5.797 1.00 0.00 N ATOM 970 CD2 HIS A 62 2.154 17.697 -6.637 1.00 0.00 C ATOM 971 CE1 HIS A 62 0.463 18.849 -5.849 1.00 0.00 C ATOM 972 NE2 HIS A 62 1.678 18.954 -6.353 1.00 0.00 N ATOM 0 H HIS A 62 0.913 12.905 -6.935 1.00 0.00 H new ATOM 0 HA HIS A 62 0.591 15.333 -8.446 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.216 14.964 -5.934 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.960 14.911 -5.766 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.119 17.457 -7.060 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.163 19.670 -5.533 1.00 0.00 H new ATOM 0 HE2 HIS A 62 2.182 19.827 -6.507 1.00 0.00 H new ATOM 981 N ALA A 63 3.520 13.948 -8.175 1.00 0.00 N ATOM 982 CA ALA A 63 4.908 14.009 -8.621 1.00 0.00 C ATOM 983 C ALA A 63 5.005 14.426 -10.085 1.00 0.00 C ATOM 984 O ALA A 63 5.987 15.042 -10.501 1.00 0.00 O ATOM 985 CB ALA A 63 5.588 12.665 -8.406 1.00 0.00 C ATOM 0 H ALA A 63 3.250 13.056 -7.761 1.00 0.00 H new ATOM 0 HA ALA A 63 5.419 14.765 -8.026 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.623 12.723 -8.743 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.565 12.411 -7.346 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.064 11.897 -8.975 1.00 0.00 H new ATOM 991 N VAL A 64 3.983 14.086 -10.865 1.00 0.00 N ATOM 992 CA VAL A 64 3.959 14.426 -12.283 1.00 0.00 C ATOM 993 C VAL A 64 4.103 15.931 -12.493 1.00 0.00 C ATOM 994 O VAL A 64 4.629 16.378 -13.512 1.00 0.00 O ATOM 995 CB VAL A 64 2.657 13.947 -12.955 1.00 0.00 C ATOM 996 CG1 VAL A 64 2.545 12.432 -12.882 1.00 0.00 C ATOM 997 CG2 VAL A 64 1.447 14.610 -12.314 1.00 0.00 C ATOM 0 H VAL A 64 3.162 13.576 -10.539 1.00 0.00 H new ATOM 0 HA VAL A 64 4.805 13.916 -12.743 1.00 0.00 H new ATOM 0 HB VAL A 64 2.685 14.237 -14.005 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.620 12.112 -13.361 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.394 11.979 -13.394 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.541 12.117 -11.838 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.538 14.259 -12.803 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.411 14.355 -11.255 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.523 15.692 -12.425 1.00 0.00 H new ATOM 1007 N GLU A 65 3.632 16.707 -11.522 1.00 0.00 N ATOM 1008 CA GLU A 65 3.707 18.161 -11.600 1.00 0.00 C ATOM 1009 C GLU A 65 5.151 18.640 -11.487 1.00 0.00 C ATOM 1010 O GLU A 65 5.519 19.672 -12.049 1.00 0.00 O ATOM 1011 CB GLU A 65 2.860 18.796 -10.496 1.00 0.00 C ATOM 1012 CG GLU A 65 2.531 20.258 -10.747 1.00 0.00 C ATOM 1013 CD GLU A 65 2.090 20.980 -9.488 1.00 0.00 C ATOM 1014 OE1 GLU A 65 0.959 20.726 -9.023 1.00 0.00 O ATOM 1015 OE2 GLU A 65 2.875 21.801 -8.969 1.00 0.00 O ATOM 0 H GLU A 65 3.194 16.353 -10.672 1.00 0.00 H new ATOM 0 HA GLU A 65 3.317 18.467 -12.571 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.931 18.235 -10.395 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.390 18.709 -9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.407 20.758 -11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.742 20.326 -11.496 1.00 0.00 H new ATOM 1022 N GLN A 66 5.966 17.886 -10.755 1.00 0.00 N ATOM 1023 CA GLN A 66 7.369 18.236 -10.568 1.00 0.00 C ATOM 1024 C GLN A 66 8.267 17.446 -11.518 1.00 0.00 C ATOM 1025 O GLN A 66 9.464 17.295 -11.272 1.00 0.00 O ATOM 1026 CB GLN A 66 7.789 17.981 -9.117 1.00 0.00 C ATOM 1027 CG GLN A 66 8.417 19.190 -8.444 1.00 0.00 C ATOM 1028 CD GLN A 66 7.415 19.996 -7.641 1.00 0.00 C ATOM 1029 OE1 GLN A 66 6.377 20.410 -8.157 1.00 0.00 O ATOM 1030 NE2 GLN A 66 7.722 20.223 -6.369 1.00 0.00 N ATOM 0 H GLN A 66 5.678 17.029 -10.282 1.00 0.00 H new ATOM 0 HA GLN A 66 7.484 19.296 -10.794 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.916 17.670 -8.544 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.498 17.153 -9.093 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.221 18.859 -7.787 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.868 19.830 -9.202 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.594 19.861 -5.982 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.086 20.759 -5.779 1.00 0.00 H new ATOM 1039 N GLN A 67 7.685 16.944 -12.604 1.00 0.00 N ATOM 1040 CA GLN A 67 8.437 16.171 -13.587 1.00 0.00 C ATOM 1041 C GLN A 67 9.133 14.981 -12.932 1.00 0.00 C ATOM 1042 O GLN A 67 10.276 14.660 -13.258 1.00 0.00 O ATOM 1043 CB GLN A 67 9.468 17.061 -14.285 1.00 0.00 C ATOM 1044 CG GLN A 67 8.849 18.192 -15.090 1.00 0.00 C ATOM 1045 CD GLN A 67 7.836 17.699 -16.104 1.00 0.00 C ATOM 1046 OE1 GLN A 67 8.191 17.312 -17.217 1.00 0.00 O ATOM 1047 NE2 GLN A 67 6.564 17.710 -15.722 1.00 0.00 N ATOM 0 H GLN A 67 6.696 17.059 -12.825 1.00 0.00 H new ATOM 0 HA GLN A 67 7.733 15.791 -14.328 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.138 17.483 -13.536 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.078 16.446 -14.947 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.366 18.894 -14.411 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.638 18.739 -15.606 1.00 0.00 H new ATOM 0 HE21 GLN A 67 6.314 18.039 -14.789 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.837 17.389 -16.361 1.00 0.00 H new ATOM 1056 N GLN A 68 8.436 14.332 -12.005 1.00 0.00 N ATOM 1057 CA GLN A 68 8.986 13.179 -11.302 1.00 0.00 C ATOM 1058 C GLN A 68 8.508 11.875 -11.936 1.00 0.00 C ATOM 1059 O GLN A 68 8.242 10.895 -11.240 1.00 0.00 O ATOM 1060 CB GLN A 68 8.590 13.221 -9.824 1.00 0.00 C ATOM 1061 CG GLN A 68 9.637 13.867 -8.932 1.00 0.00 C ATOM 1062 CD GLN A 68 9.027 14.599 -7.753 1.00 0.00 C ATOM 1063 OE1 GLN A 68 8.046 15.328 -7.900 1.00 0.00 O ATOM 1064 NE2 GLN A 68 9.606 14.408 -6.573 1.00 0.00 N ATOM 0 H GLN A 68 7.489 14.585 -11.723 1.00 0.00 H new ATOM 0 HA GLN A 68 10.072 13.220 -11.380 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.652 13.767 -9.723 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.406 12.204 -9.477 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.320 13.100 -8.565 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.230 14.566 -9.522 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.418 13.795 -6.496 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.239 14.874 -5.743 1.00 0.00 H new ATOM 1073 N LEU A 69 8.402 11.870 -13.261 1.00 0.00 N ATOM 1074 CA LEU A 69 7.956 10.685 -13.988 1.00 0.00 C ATOM 1075 C LEU A 69 8.826 9.470 -13.661 1.00 0.00 C ATOM 1076 O LEU A 69 8.309 8.377 -13.432 1.00 0.00 O ATOM 1077 CB LEU A 69 7.964 10.945 -15.497 1.00 0.00 C ATOM 1078 CG LEU A 69 7.204 12.195 -15.944 1.00 0.00 C ATOM 1079 CD1 LEU A 69 7.836 12.785 -17.196 1.00 0.00 C ATOM 1080 CD2 LEU A 69 5.739 11.867 -16.188 1.00 0.00 C ATOM 0 H LEU A 69 8.618 12.672 -13.853 1.00 0.00 H new ATOM 0 HA LEU A 69 6.936 10.468 -13.671 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.998 11.029 -15.830 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.536 10.079 -16.002 1.00 0.00 H new ATOM 0 HG LEU A 69 7.263 12.938 -15.148 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.282 13.673 -17.499 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.871 13.056 -16.988 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.808 12.049 -17.999 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.213 12.767 -16.505 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.661 11.108 -16.966 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.292 11.491 -15.268 1.00 0.00 H new ATOM 1092 N PRO A 70 10.163 9.637 -13.631 1.00 0.00 N ATOM 1093 CA PRO A 70 11.085 8.537 -13.328 1.00 0.00 C ATOM 1094 C PRO A 70 10.833 7.939 -11.947 1.00 0.00 C ATOM 1095 O PRO A 70 11.047 6.747 -11.727 1.00 0.00 O ATOM 1096 CB PRO A 70 12.471 9.192 -13.380 1.00 0.00 C ATOM 1097 CG PRO A 70 12.280 10.437 -14.176 1.00 0.00 C ATOM 1098 CD PRO A 70 10.882 10.898 -13.887 1.00 0.00 C ATOM 0 HA PRO A 70 10.969 7.710 -14.028 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.839 9.416 -12.379 1.00 0.00 H new ATOM 0 HB3 PRO A 70 13.202 8.533 -13.848 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.008 11.197 -13.893 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.416 10.245 -15.240 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.847 11.565 -13.025 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.454 11.443 -14.729 1.00 0.00 H new ATOM 1106 N GLN A 71 10.378 8.776 -11.021 1.00 0.00 N ATOM 1107 CA GLN A 71 10.096 8.332 -9.661 1.00 0.00 C ATOM 1108 C GLN A 71 8.840 7.466 -9.617 1.00 0.00 C ATOM 1109 O GLN A 71 8.694 6.614 -8.740 1.00 0.00 O ATOM 1110 CB GLN A 71 9.932 9.538 -8.733 1.00 0.00 C ATOM 1111 CG GLN A 71 11.198 9.895 -7.971 1.00 0.00 C ATOM 1112 CD GLN A 71 12.068 10.887 -8.718 1.00 0.00 C ATOM 1113 OE1 GLN A 71 12.251 12.023 -8.280 1.00 0.00 O ATOM 1114 NE2 GLN A 71 12.608 10.462 -9.854 1.00 0.00 N ATOM 0 H GLN A 71 10.197 9.766 -11.187 1.00 0.00 H new ATOM 0 HA GLN A 71 10.939 7.731 -9.320 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.617 10.399 -9.322 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.134 9.331 -8.019 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.928 10.312 -7.001 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.770 8.987 -7.779 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.429 9.512 -10.179 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.201 11.086 -10.401 1.00 0.00 H new ATOM 1123 N VAL A 72 7.936 7.688 -10.567 1.00 0.00 N ATOM 1124 CA VAL A 72 6.695 6.926 -10.633 1.00 0.00 C ATOM 1125 C VAL A 72 6.976 5.430 -10.740 1.00 0.00 C ATOM 1126 O VAL A 72 6.204 4.606 -10.250 1.00 0.00 O ATOM 1127 CB VAL A 72 5.827 7.364 -11.828 1.00 0.00 C ATOM 1128 CG1 VAL A 72 4.497 6.625 -11.827 1.00 0.00 C ATOM 1129 CG2 VAL A 72 5.606 8.870 -11.804 1.00 0.00 C ATOM 0 H VAL A 72 8.040 8.389 -11.301 1.00 0.00 H new ATOM 0 HA VAL A 72 6.151 7.126 -9.710 1.00 0.00 H new ATOM 0 HB VAL A 72 6.356 7.110 -12.747 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.900 6.949 -12.679 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.677 5.552 -11.897 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.960 6.843 -10.904 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.991 9.161 -12.655 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.101 9.149 -10.879 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.568 9.380 -11.860 1.00 0.00 H new ATOM 1139 N ALA A 73 8.088 5.087 -11.383 1.00 0.00 N ATOM 1140 CA ALA A 73 8.472 3.691 -11.551 1.00 0.00 C ATOM 1141 C ALA A 73 8.752 3.037 -10.203 1.00 0.00 C ATOM 1142 O ALA A 73 8.208 1.978 -9.890 1.00 0.00 O ATOM 1143 CB ALA A 73 9.690 3.584 -12.456 1.00 0.00 C ATOM 0 H ALA A 73 8.738 5.756 -11.796 1.00 0.00 H new ATOM 0 HA ALA A 73 7.641 3.163 -12.018 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.966 2.536 -12.573 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.456 4.009 -13.432 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.522 4.131 -12.012 1.00 0.00 H new ATOM 1149 N TRP A 74 9.603 3.677 -9.408 1.00 0.00 N ATOM 1150 CA TRP A 74 9.955 3.161 -8.091 1.00 0.00 C ATOM 1151 C TRP A 74 8.750 3.195 -7.156 1.00 0.00 C ATOM 1152 O TRP A 74 8.471 2.226 -6.450 1.00 0.00 O ATOM 1153 CB TRP A 74 11.103 3.975 -7.492 1.00 0.00 C ATOM 1154 CG TRP A 74 12.037 3.158 -6.653 1.00 0.00 C ATOM 1155 CD1 TRP A 74 12.504 1.905 -6.928 1.00 0.00 C ATOM 1156 CD2 TRP A 74 12.618 3.537 -5.400 1.00 0.00 C ATOM 1157 NE1 TRP A 74 13.340 1.482 -5.923 1.00 0.00 N ATOM 1158 CE2 TRP A 74 13.426 2.466 -4.974 1.00 0.00 C ATOM 1159 CE3 TRP A 74 12.534 4.679 -4.597 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 14.144 2.504 -3.781 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 13.247 4.715 -3.414 1.00 0.00 C ATOM 1162 CH2 TRP A 74 14.043 3.634 -3.016 1.00 0.00 C ATOM 0 H TRP A 74 10.062 4.554 -9.653 1.00 0.00 H new ATOM 0 HA TRP A 74 10.275 2.125 -8.206 1.00 0.00 H new ATOM 0 HB2 TRP A 74 11.667 4.443 -8.299 1.00 0.00 H new ATOM 0 HB3 TRP A 74 10.689 4.779 -6.884 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.253 1.330 -7.807 1.00 0.00 H new ATOM 0 HE1 TRP A 74 13.819 0.582 -5.889 1.00 0.00 H new ATOM 0 HE3 TRP A 74 11.923 5.518 -4.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 14.758 1.672 -3.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 13.189 5.592 -2.786 1.00 0.00 H new ATOM 0 HH2 TRP A 74 14.589 3.693 -2.086 1.00 0.00 H new ATOM 1173 N LEU A 75 8.039 4.318 -7.159 1.00 0.00 N ATOM 1174 CA LEU A 75 6.863 4.481 -6.313 1.00 0.00 C ATOM 1175 C LEU A 75 5.780 3.475 -6.689 1.00 0.00 C ATOM 1176 O LEU A 75 5.097 2.930 -5.823 1.00 0.00 O ATOM 1177 CB LEU A 75 6.317 5.906 -6.430 1.00 0.00 C ATOM 1178 CG LEU A 75 6.907 6.909 -5.439 1.00 0.00 C ATOM 1179 CD1 LEU A 75 6.547 8.331 -5.841 1.00 0.00 C ATOM 1180 CD2 LEU A 75 6.421 6.612 -4.029 1.00 0.00 C ATOM 0 H LEU A 75 8.257 5.129 -7.738 1.00 0.00 H new ATOM 0 HA LEU A 75 7.160 4.298 -5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.501 6.267 -7.442 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.236 5.877 -6.294 1.00 0.00 H new ATOM 0 HG LEU A 75 7.993 6.813 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.975 9.031 -5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.944 8.540 -6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.463 8.442 -5.853 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.851 7.335 -3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.334 6.680 -3.997 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.730 5.607 -3.742 1.00 0.00 H new ATOM 1192 N ALA A 76 5.631 3.232 -7.988 1.00 0.00 N ATOM 1193 CA ALA A 76 4.633 2.291 -8.478 1.00 0.00 C ATOM 1194 C ALA A 76 4.890 0.890 -7.934 1.00 0.00 C ATOM 1195 O ALA A 76 3.991 0.251 -7.386 1.00 0.00 O ATOM 1196 CB ALA A 76 4.624 2.275 -9.999 1.00 0.00 C ATOM 0 H ALA A 76 6.189 3.674 -8.719 1.00 0.00 H new ATOM 0 HA ALA A 76 3.655 2.618 -8.124 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.873 1.567 -10.351 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.387 3.271 -10.372 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.606 1.975 -10.366 1.00 0.00 H new ATOM 1202 N GLU A 77 6.124 0.419 -8.085 1.00 0.00 N ATOM 1203 CA GLU A 77 6.500 -0.905 -7.606 1.00 0.00 C ATOM 1204 C GLU A 77 6.342 -0.996 -6.091 1.00 0.00 C ATOM 1205 O GLU A 77 5.934 -2.029 -5.560 1.00 0.00 O ATOM 1206 CB GLU A 77 7.943 -1.225 -8.004 1.00 0.00 C ATOM 1207 CG GLU A 77 8.052 -2.159 -9.198 1.00 0.00 C ATOM 1208 CD GLU A 77 9.287 -3.035 -9.141 1.00 0.00 C ATOM 1209 OE1 GLU A 77 10.408 -2.483 -9.157 1.00 0.00 O ATOM 1210 OE2 GLU A 77 9.135 -4.273 -9.081 1.00 0.00 O ATOM 0 H GLU A 77 6.880 0.935 -8.535 1.00 0.00 H new ATOM 0 HA GLU A 77 5.836 -1.636 -8.068 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.463 -0.295 -8.232 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.454 -1.675 -7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.165 -2.791 -9.243 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.071 -1.570 -10.115 1.00 0.00 H new ATOM 1217 N HIS A 78 6.667 0.093 -5.402 1.00 0.00 N ATOM 1218 CA HIS A 78 6.561 0.139 -3.949 1.00 0.00 C ATOM 1219 C HIS A 78 5.108 -0.005 -3.508 1.00 0.00 C ATOM 1220 O HIS A 78 4.797 -0.779 -2.603 1.00 0.00 O ATOM 1221 CB HIS A 78 7.140 1.451 -3.416 1.00 0.00 C ATOM 1222 CG HIS A 78 7.741 1.330 -2.050 1.00 0.00 C ATOM 1223 ND1 HIS A 78 8.509 2.321 -1.475 1.00 0.00 N ATOM 1224 CD2 HIS A 78 7.684 0.327 -1.142 1.00 0.00 C ATOM 1225 CE1 HIS A 78 8.899 1.933 -0.274 1.00 0.00 C ATOM 1226 NE2 HIS A 78 8.411 0.728 -0.048 1.00 0.00 N ATOM 0 H HIS A 78 7.006 0.956 -5.827 1.00 0.00 H new ATOM 0 HA HIS A 78 7.132 -0.694 -3.540 1.00 0.00 H new ATOM 0 HB2 HIS A 78 7.901 1.810 -4.108 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.351 2.203 -3.392 1.00 0.00 H new ATOM 0 HD1 HIS A 78 8.740 3.214 -1.910 1.00 0.00 H new ATOM 0 HD2 HIS A 78 7.164 -0.613 -1.257 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.513 2.504 0.407 1.00 0.00 H new ATOM 1235 N LEU A 79 4.222 0.745 -4.156 1.00 0.00 N ATOM 1236 CA LEU A 79 2.801 0.701 -3.834 1.00 0.00 C ATOM 1237 C LEU A 79 2.239 -0.699 -4.054 1.00 0.00 C ATOM 1238 O LEU A 79 1.566 -1.253 -3.184 1.00 0.00 O ATOM 1239 CB LEU A 79 2.033 1.712 -4.687 1.00 0.00 C ATOM 1240 CG LEU A 79 1.939 3.120 -4.096 1.00 0.00 C ATOM 1241 CD1 LEU A 79 1.974 4.166 -5.200 1.00 0.00 C ATOM 1242 CD2 LEU A 79 0.674 3.263 -3.263 1.00 0.00 C ATOM 0 H LEU A 79 4.464 1.391 -4.908 1.00 0.00 H new ATOM 0 HA LEU A 79 2.682 0.960 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.510 1.776 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.023 1.335 -4.849 1.00 0.00 H new ATOM 0 HG LEU A 79 2.799 3.280 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.906 5.161 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.908 4.078 -5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.133 4.010 -5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.622 4.270 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.198 3.084 -3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.690 2.538 -2.450 1.00 0.00 H new ATOM 1254 N ALA A 80 2.519 -1.266 -5.223 1.00 0.00 N ATOM 1255 CA ALA A 80 2.042 -2.602 -5.558 1.00 0.00 C ATOM 1256 C ALA A 80 2.561 -3.635 -4.564 1.00 0.00 C ATOM 1257 O ALA A 80 1.804 -4.469 -4.067 1.00 0.00 O ATOM 1258 CB ALA A 80 2.462 -2.972 -6.973 1.00 0.00 C ATOM 0 H ALA A 80 3.074 -0.821 -5.954 1.00 0.00 H new ATOM 0 HA ALA A 80 0.953 -2.597 -5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.099 -3.972 -7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.039 -2.256 -7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.549 -2.953 -7.046 1.00 0.00 H new ATOM 1264 N ALA A 81 3.858 -3.574 -4.277 1.00 0.00 N ATOM 1265 CA ALA A 81 4.479 -4.503 -3.341 1.00 0.00 C ATOM 1266 C ALA A 81 3.878 -4.360 -1.947 1.00 0.00 C ATOM 1267 O ALA A 81 3.620 -5.353 -1.266 1.00 0.00 O ATOM 1268 CB ALA A 81 5.983 -4.279 -3.297 1.00 0.00 C ATOM 0 H ALA A 81 4.499 -2.890 -4.680 1.00 0.00 H new ATOM 0 HA ALA A 81 4.284 -5.518 -3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.435 -4.979 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.404 -4.439 -4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.190 -3.258 -2.976 1.00 0.00 H new ATOM 1274 N GLN A 82 3.659 -3.118 -1.527 1.00 0.00 N ATOM 1275 CA GLN A 82 3.089 -2.844 -0.214 1.00 0.00 C ATOM 1276 C GLN A 82 1.652 -3.347 -0.128 1.00 0.00 C ATOM 1277 O GLN A 82 1.287 -4.057 0.809 1.00 0.00 O ATOM 1278 CB GLN A 82 3.136 -1.343 0.082 1.00 0.00 C ATOM 1279 CG GLN A 82 3.495 -1.018 1.522 1.00 0.00 C ATOM 1280 CD GLN A 82 3.923 0.426 1.704 1.00 0.00 C ATOM 1281 OE1 GLN A 82 5.007 0.704 2.217 1.00 0.00 O ATOM 1282 NE2 GLN A 82 3.071 1.353 1.282 1.00 0.00 N ATOM 0 H GLN A 82 3.868 -2.285 -2.078 1.00 0.00 H new ATOM 0 HA GLN A 82 3.684 -3.373 0.530 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.864 -0.873 -0.580 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.165 -0.905 -0.149 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.636 -1.222 2.162 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.300 -1.676 1.849 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.183 1.077 0.863 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.304 2.341 1.377 1.00 0.00 H new ATOM 1291 N LEU A 83 0.840 -2.974 -1.113 1.00 0.00 N ATOM 1292 CA LEU A 83 -0.559 -3.386 -1.150 1.00 0.00 C ATOM 1293 C LEU A 83 -0.682 -4.907 -1.102 1.00 0.00 C ATOM 1294 O LEU A 83 -1.566 -5.448 -0.438 1.00 0.00 O ATOM 1295 CB LEU A 83 -1.237 -2.847 -2.412 1.00 0.00 C ATOM 1296 CG LEU A 83 -2.660 -2.323 -2.210 1.00 0.00 C ATOM 1297 CD1 LEU A 83 -2.920 -1.123 -3.107 1.00 0.00 C ATOM 1298 CD2 LEU A 83 -3.674 -3.423 -2.482 1.00 0.00 C ATOM 0 H LEU A 83 1.127 -2.387 -1.896 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.057 -2.973 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.625 -2.043 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.261 -3.640 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.766 -2.004 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -3.937 -0.764 -2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.214 -0.329 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.796 -1.415 -4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.681 -3.034 -2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.567 -3.771 -3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.502 -4.254 -1.798 1.00 0.00 H new ATOM 1310 N GLU A 84 0.213 -5.589 -1.808 1.00 0.00 N ATOM 1311 CA GLU A 84 0.207 -7.047 -1.845 1.00 0.00 C ATOM 1312 C GLU A 84 0.695 -7.626 -0.521 1.00 0.00 C ATOM 1313 O GLU A 84 0.272 -8.707 -0.112 1.00 0.00 O ATOM 1314 CB GLU A 84 1.084 -7.552 -2.993 1.00 0.00 C ATOM 1315 CG GLU A 84 0.501 -8.750 -3.723 1.00 0.00 C ATOM 1316 CD GLU A 84 1.076 -8.920 -5.116 1.00 0.00 C ATOM 1317 OE1 GLU A 84 2.316 -8.862 -5.257 1.00 0.00 O ATOM 1318 OE2 GLU A 84 0.287 -9.111 -6.065 1.00 0.00 O ATOM 0 H GLU A 84 0.952 -5.156 -2.362 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.818 -7.379 -2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.237 -6.742 -3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.065 -7.819 -2.599 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.692 -9.653 -3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.581 -8.638 -3.792 1.00 0.00 H new ATOM 1325 N ALA A 85 1.587 -6.899 0.144 1.00 0.00 N ATOM 1326 CA ALA A 85 2.132 -7.340 1.422 1.00 0.00 C ATOM 1327 C ALA A 85 1.063 -7.320 2.509 1.00 0.00 C ATOM 1328 O ALA A 85 0.936 -8.266 3.286 1.00 0.00 O ATOM 1329 CB ALA A 85 3.312 -6.467 1.821 1.00 0.00 C ATOM 0 H ALA A 85 1.947 -6.002 -0.181 1.00 0.00 H new ATOM 0 HA ALA A 85 2.478 -8.367 1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.709 -6.807 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.089 -6.536 1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.984 -5.432 1.912 1.00 0.00 H new ATOM 1335 N ILE A 86 0.296 -6.236 2.557 1.00 0.00 N ATOM 1336 CA ILE A 86 -0.764 -6.094 3.547 1.00 0.00 C ATOM 1337 C ILE A 86 -1.873 -7.113 3.310 1.00 0.00 C ATOM 1338 O ILE A 86 -2.336 -7.771 4.242 1.00 0.00 O ATOM 1339 CB ILE A 86 -1.369 -4.676 3.525 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -0.265 -3.623 3.648 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -2.388 -4.514 4.644 1.00 0.00 C ATOM 1342 CD1 ILE A 86 0.445 -3.642 4.984 1.00 0.00 C ATOM 0 H ILE A 86 0.389 -5.443 1.922 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.313 -6.271 4.523 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.879 -4.532 2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.466 -3.781 2.855 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.698 -2.635 3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.805 -3.507 4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.189 -5.242 4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.901 -4.676 5.606 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.214 -2.869 4.999 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.274 -3.453 5.781 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.908 -4.617 5.136 1.00 0.00 H new ATOM 1354 N ALA A 87 -2.295 -7.239 2.055 1.00 0.00 N ATOM 1355 CA ALA A 87 -3.349 -8.179 1.695 1.00 0.00 C ATOM 1356 C ALA A 87 -2.910 -9.617 1.945 1.00 0.00 C ATOM 1357 O ALA A 87 -3.711 -10.460 2.348 1.00 0.00 O ATOM 1358 CB ALA A 87 -3.746 -7.991 0.238 1.00 0.00 C ATOM 0 H ALA A 87 -1.923 -6.702 1.272 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.215 -7.977 2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.534 -8.699 -0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.109 -6.974 0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.880 -8.165 -0.400 1.00 0.00 H new ATOM 1364 N ARG A 88 -1.632 -9.891 1.703 1.00 0.00 N ATOM 1365 CA ARG A 88 -1.086 -11.229 1.902 1.00 0.00 C ATOM 1366 C ARG A 88 -1.044 -11.584 3.385 1.00 0.00 C ATOM 1367 O ARG A 88 -1.571 -12.616 3.801 1.00 0.00 O ATOM 1368 CB ARG A 88 0.318 -11.325 1.302 1.00 0.00 C ATOM 1369 CG ARG A 88 0.924 -12.717 1.391 1.00 0.00 C ATOM 1370 CD ARG A 88 2.444 -12.668 1.351 1.00 0.00 C ATOM 1371 NE ARG A 88 3.047 -13.555 2.342 1.00 0.00 N ATOM 1372 CZ ARG A 88 2.937 -14.882 2.314 1.00 0.00 C ATOM 1373 NH1 ARG A 88 2.249 -15.477 1.348 1.00 0.00 N ATOM 1374 NH2 ARG A 88 3.517 -15.614 3.255 1.00 0.00 N ATOM 0 H ARG A 88 -0.955 -9.205 1.369 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.739 -11.940 1.395 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.279 -11.021 0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.972 -10.620 1.814 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.599 -13.198 2.313 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.557 -13.328 0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.790 -12.948 0.356 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.778 -11.646 1.528 1.00 0.00 H new ATOM 0 HE ARG A 88 3.584 -13.134 3.100 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.801 -14.918 0.622 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.168 -16.494 1.331 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.047 -15.161 4.000 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.433 -16.630 3.234 1.00 0.00 H new ATOM 1388 N GLU A 89 -0.415 -10.722 4.177 1.00 0.00 N ATOM 1389 CA GLU A 89 -0.306 -10.945 5.615 1.00 0.00 C ATOM 1390 C GLU A 89 -1.686 -10.978 6.264 1.00 0.00 C ATOM 1391 O GLU A 89 -2.017 -11.911 6.997 1.00 0.00 O ATOM 1392 CB GLU A 89 0.547 -9.851 6.259 1.00 0.00 C ATOM 1393 CG GLU A 89 1.317 -10.322 7.482 1.00 0.00 C ATOM 1394 CD GLU A 89 2.727 -10.767 7.147 1.00 0.00 C ATOM 1395 OE1 GLU A 89 2.878 -11.828 6.507 1.00 0.00 O ATOM 1396 OE2 GLU A 89 3.680 -10.053 7.524 1.00 0.00 O ATOM 0 H GLU A 89 0.027 -9.863 3.848 1.00 0.00 H new ATOM 0 HA GLU A 89 0.175 -11.910 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.252 -9.470 5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.098 -9.019 6.544 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.359 -9.515 8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.780 -11.148 7.949 1.00 0.00 H new ATOM 1403 N ALA A 90 -2.488 -9.954 5.988 1.00 0.00 N ATOM 1404 CA ALA A 90 -3.833 -9.865 6.543 1.00 0.00 C ATOM 1405 C ALA A 90 -4.666 -11.082 6.157 1.00 0.00 C ATOM 1406 O ALA A 90 -5.457 -11.584 6.956 1.00 0.00 O ATOM 1407 CB ALA A 90 -4.513 -8.587 6.075 1.00 0.00 C ATOM 0 H ALA A 90 -2.229 -9.175 5.383 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.751 -9.843 7.630 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.517 -8.533 6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.934 -7.725 6.405 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.576 -8.586 4.987 1.00 0.00 H new ATOM 1413 N SER A 91 -4.482 -11.553 4.928 1.00 0.00 N ATOM 1414 CA SER A 91 -5.215 -12.714 4.438 1.00 0.00 C ATOM 1415 C SER A 91 -4.750 -13.983 5.144 1.00 0.00 C ATOM 1416 O SER A 91 -5.534 -14.908 5.361 1.00 0.00 O ATOM 1417 CB SER A 91 -5.030 -12.860 2.926 1.00 0.00 C ATOM 1418 OG SER A 91 -5.634 -14.051 2.451 1.00 0.00 O ATOM 0 H SER A 91 -3.832 -11.149 4.254 1.00 0.00 H new ATOM 0 HA SER A 91 -6.273 -12.564 4.653 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.466 -12.000 2.418 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.967 -12.867 2.685 1.00 0.00 H new ATOM 0 HG SER A 91 -5.503 -14.120 1.482 1.00 0.00 H new ATOM 1424 N ALA A 92 -3.471 -14.019 5.503 1.00 0.00 N ATOM 1425 CA ALA A 92 -2.901 -15.172 6.187 1.00 0.00 C ATOM 1426 C ALA A 92 -3.550 -15.372 7.552 1.00 0.00 C ATOM 1427 O ALA A 92 -4.157 -16.410 7.817 1.00 0.00 O ATOM 1428 CB ALA A 92 -1.396 -15.008 6.334 1.00 0.00 C ATOM 0 H ALA A 92 -2.810 -13.262 5.331 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.100 -16.058 5.584 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.984 -15.877 6.847 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -0.942 -14.920 5.347 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.183 -14.110 6.913 1.00 0.00 H new ATOM 1434 N TRP A 93 -3.419 -14.370 8.416 1.00 0.00 N ATOM 1435 CA TRP A 93 -3.995 -14.436 9.755 1.00 0.00 C ATOM 1436 C TRP A 93 -5.513 -14.582 9.690 1.00 0.00 C ATOM 1437 O TRP A 93 -6.136 -15.104 10.614 1.00 0.00 O ATOM 1438 CB TRP A 93 -3.626 -13.185 10.556 1.00 0.00 C ATOM 1439 CG TRP A 93 -2.193 -12.780 10.398 1.00 0.00 C ATOM 1440 CD1 TRP A 93 -1.722 -11.541 10.070 1.00 0.00 C ATOM 1441 CD2 TRP A 93 -1.043 -13.617 10.559 1.00 0.00 C ATOM 1442 NE1 TRP A 93 -0.350 -11.557 10.017 1.00 0.00 N ATOM 1443 CE2 TRP A 93 0.091 -12.821 10.314 1.00 0.00 C ATOM 1444 CE3 TRP A 93 -0.863 -14.963 10.887 1.00 0.00 C ATOM 1445 CZ2 TRP A 93 1.387 -13.327 10.386 1.00 0.00 C ATOM 1446 CZ3 TRP A 93 0.423 -15.465 10.959 1.00 0.00 C ATOM 1447 CH2 TRP A 93 1.533 -14.648 10.710 1.00 0.00 C ATOM 0 H TRP A 93 -2.920 -13.504 8.213 1.00 0.00 H new ATOM 0 HA TRP A 93 -3.585 -15.313 10.255 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.266 -12.360 10.243 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -3.831 -13.365 11.611 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -2.339 -10.675 9.880 1.00 0.00 H new ATOM 0 HE1 TRP A 93 0.244 -10.759 9.793 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -1.713 -15.600 11.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 2.245 -12.700 10.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 0.574 -16.504 11.211 1.00 0.00 H new ATOM 0 HH2 TRP A 93 2.525 -15.070 10.775 1.00 0.00 H new ATOM 1458 N SER A 94 -6.103 -14.116 8.592 1.00 0.00 N ATOM 1459 CA SER A 94 -7.548 -14.193 8.407 1.00 0.00 C ATOM 1460 C SER A 94 -8.042 -15.631 8.536 1.00 0.00 C ATOM 1461 O SER A 94 -8.041 -16.388 7.565 1.00 0.00 O ATOM 1462 CB SER A 94 -7.938 -13.627 7.040 1.00 0.00 C ATOM 1463 OG SER A 94 -9.067 -12.777 7.143 1.00 0.00 O ATOM 0 H SER A 94 -5.602 -13.681 7.817 1.00 0.00 H new ATOM 0 HA SER A 94 -8.020 -13.598 9.189 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.099 -13.073 6.620 1.00 0.00 H new ATOM 0 HB3 SER A 94 -8.156 -14.445 6.353 1.00 0.00 H new ATOM 0 HG SER A 94 -9.295 -12.427 6.256 1.00 0.00 H new ATOM 1469 N LEU A 95 -8.466 -15.999 9.741 1.00 0.00 N ATOM 1470 CA LEU A 95 -8.965 -17.344 9.999 1.00 0.00 C ATOM 1471 C LEU A 95 -9.951 -17.344 11.164 1.00 0.00 C ATOM 1472 O LEU A 95 -10.074 -18.332 11.888 1.00 0.00 O ATOM 1473 CB LEU A 95 -7.800 -18.294 10.294 1.00 0.00 C ATOM 1474 CG LEU A 95 -7.513 -19.323 9.199 1.00 0.00 C ATOM 1475 CD1 LEU A 95 -6.022 -19.611 9.114 1.00 0.00 C ATOM 1476 CD2 LEU A 95 -8.292 -20.604 9.457 1.00 0.00 C ATOM 0 H LEU A 95 -8.474 -15.384 10.554 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.488 -17.690 9.108 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.900 -17.701 10.460 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.009 -18.823 11.224 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.836 -18.910 8.244 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.837 -20.345 8.330 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.486 -18.690 8.883 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.672 -20.004 10.069 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.077 -21.326 8.669 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.999 -21.020 10.421 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -9.360 -20.385 9.466 1.00 0.00 H new ATOM 1488 N ARG A 96 -10.653 -16.228 11.337 1.00 0.00 N ATOM 1489 CA ARG A 96 -11.630 -16.097 12.413 1.00 0.00 C ATOM 1490 C ARG A 96 -12.327 -14.742 12.350 1.00 0.00 C ATOM 1491 O ARG A 96 -12.599 -14.124 13.379 1.00 0.00 O ATOM 1492 CB ARG A 96 -10.950 -16.272 13.772 1.00 0.00 C ATOM 1493 CG ARG A 96 -11.869 -16.835 14.844 1.00 0.00 C ATOM 1494 CD ARG A 96 -11.925 -18.353 14.790 1.00 0.00 C ATOM 1495 NE ARG A 96 -13.028 -18.889 15.583 1.00 0.00 N ATOM 1496 CZ ARG A 96 -13.518 -20.118 15.436 1.00 0.00 C ATOM 1497 NH1 ARG A 96 -13.005 -20.941 14.529 1.00 0.00 N ATOM 1498 NH2 ARG A 96 -14.524 -20.526 16.198 1.00 0.00 N ATOM 0 H ARG A 96 -10.564 -15.401 10.746 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.380 -16.878 12.288 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.092 -16.934 13.657 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.566 -15.307 14.104 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.520 -16.518 15.827 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -12.872 -16.428 14.715 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.033 -18.675 13.754 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -10.983 -18.764 15.155 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.448 -18.286 16.291 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.231 -20.633 13.940 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -13.385 -21.882 14.421 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.922 -19.898 16.896 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -14.900 -21.468 16.086 1.00 0.00 H new ATOM 1512 N GLU A 97 -12.613 -14.286 11.134 1.00 0.00 N ATOM 1513 CA GLU A 97 -13.279 -13.004 10.935 1.00 0.00 C ATOM 1514 C GLU A 97 -12.418 -11.858 11.461 1.00 0.00 C ATOM 1515 O GLU A 97 -12.565 -11.434 12.607 1.00 0.00 O ATOM 1516 CB GLU A 97 -14.644 -12.999 11.629 1.00 0.00 C ATOM 1517 CG GLU A 97 -15.787 -12.583 10.718 1.00 0.00 C ATOM 1518 CD GLU A 97 -17.079 -13.310 11.036 1.00 0.00 C ATOM 1519 OE1 GLU A 97 -17.398 -13.457 12.235 1.00 0.00 O ATOM 1520 OE2 GLU A 97 -17.772 -13.733 10.087 1.00 0.00 O ATOM 0 H GLU A 97 -12.394 -14.786 10.272 1.00 0.00 H new ATOM 0 HA GLU A 97 -13.427 -12.860 9.865 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.847 -13.996 12.021 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -14.606 -12.322 12.483 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -15.947 -11.509 10.809 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -15.510 -12.777 9.682 1.00 0.00 H new ATOM 1527 N TRP A 98 -11.520 -11.364 10.615 1.00 0.00 N ATOM 1528 CA TRP A 98 -10.635 -10.268 10.995 1.00 0.00 C ATOM 1529 C TRP A 98 -10.817 -9.074 10.063 1.00 0.00 C ATOM 1530 O TRP A 98 -10.941 -9.292 8.839 1.00 0.00 O ATOM 1531 CB TRP A 98 -9.176 -10.732 10.971 1.00 0.00 C ATOM 1532 CG TRP A 98 -8.399 -10.316 12.183 1.00 0.00 C ATOM 1533 CD1 TRP A 98 -8.884 -10.129 13.445 1.00 0.00 C ATOM 1534 CD2 TRP A 98 -6.996 -10.035 12.247 1.00 0.00 C ATOM 1535 NE1 TRP A 98 -7.869 -9.749 14.290 1.00 0.00 N ATOM 1536 CE2 TRP A 98 -6.700 -9.685 13.578 1.00 0.00 C ATOM 1537 CE3 TRP A 98 -5.960 -10.047 11.307 1.00 0.00 C ATOM 1538 CZ2 TRP A 98 -5.414 -9.349 13.991 1.00 0.00 C ATOM 1539 CZ3 TRP A 98 -4.684 -9.714 11.720 1.00 0.00 C ATOM 1540 CH2 TRP A 98 -4.420 -9.369 13.051 1.00 0.00 C ATOM 1541 OXT TRP A 98 -10.835 -7.930 10.565 1.00 0.00 O ATOM 0 H TRP A 98 -11.386 -11.704 9.663 1.00 0.00 H new ATOM 0 HA TRP A 98 -10.894 -9.958 12.007 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -9.149 -11.818 10.887 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -8.690 -10.331 10.082 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -9.915 -10.261 13.737 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -7.969 -9.547 15.285 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -6.154 -10.312 10.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -5.208 -9.082 15.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -3.876 -9.720 11.003 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -3.412 -9.114 13.342 1.00 0.00 H new TER 1552 TRP A 98